# HG changeset patch # User chemteam # Date 1598300876 14400 # Node ID 0f270722aca64e639c7563079abf65683b5f0cbe "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2" diff -r 000000000000 -r 0f270722aca6 angle.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/angle.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,75 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np +from numpy.linalg import norm + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid 1') + parser.add_argument('--iname1', help='name 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--iresid2', help='resid 2') + parser.add_argument('--iname2', help='name 2') + parser.add_argument('--isegid3', help='segid 3') + parser.add_argument('--iresid3', help='resid 3') + parser.add_argument('--iname3', help='name 3') + parser.add_argument('--output', help='output') + parser.add_argument('--oangle_plot', help='angle plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +atom1 = "(segid %s and resid %s and name %s)" % \ + (args.isegid1, args.iresid1, args.iname1) +atom2 = "(segid %s and resid %s and name %s)" % \ + (args.isegid2, args.iresid2, args.iname2) +atom3 = "(segid %s and resid %s and name %s)" % \ + (args.isegid3, args.iresid3, args.iname3) + + +def theta(u): + A = u.select_atoms(atom1).center_of_geometry() + B = u.select_atoms(atom2).center_of_geometry() + C = u.select_atoms(atom3).center_of_geometry() + BA = A - B + BC = C - B + theta = np.arccos(np.dot(BA, BC)/(norm(BA)*norm(BC))) + return np.rad2deg(theta) + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +data = np.array([(u.trajectory.frame, theta(u)) for ts in u.trajectory]) +frame, theta = data.T + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(zip(frame, theta)) + +with open(args.output) as f: + g = [xtmp.strip() for xtmp in f] + data = [tuple(map(float, xtmp.split())) for xtmp in g[0:]] + time = [xtmp[0] for xtmp in data] + angle = [xtmp[1] for xtmp in data] + plt.plot(time, angle) + plt.xlabel('Frame No.') + plt.ylabel('Angle (degrees)') + plt.savefig(args.oangle_plot, format='png') diff -r 000000000000 -r 0f270722aca6 dihedrals.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/dihedrals.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,82 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda +from MDAnalysis.lib.distances import calc_dihedrals + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid 1') + parser.add_argument('--iname1', help='name 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--iresid2', help='resid 2') + parser.add_argument('--iname2', help='name 2') + parser.add_argument('--isegid3', help='segid 3') + parser.add_argument('--iresid3', help='resid 3') + parser.add_argument('--iname3', help='name 3') + parser.add_argument('--isegid4', help='segid 4') + parser.add_argument('--iresid4', help='resid 4') + parser.add_argument('--iname4', help='name 4') + parser.add_argument('--output', help='output') + parser.add_argument('--odihedral_plot', help='dihedral plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +atom1 = "(segid %s and resid %s and name %s)" % \ + (args.isegid1, args.iresid1, args.iname1) +atom2 = "(segid %s and resid %s and name %s)" % \ + (args.isegid2, args.iresid2, args.iname2) +atom3 = "(segid %s and resid %s and name %s)" % \ + (args.isegid3, args.iresid3, args.iname3) +atom4 = "(segid %s and resid %s and name %s)" % \ + (args.isegid4, args.iresid4, args.iname4) + + +def psi(u): + A = u.select_atoms(atom1).positions + B = u.select_atoms(atom2).positions + C = u.select_atoms(atom3).positions + D = u.select_atoms(atom4).positions + psi = calc_dihedrals(A, B, C, D) + return np.rad2deg(psi) + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +data = np.array([(u.trajectory.frame, psi(u)) for ts in u.trajectory]) +frame, psi = data.T +PSI = np.concatenate(psi, axis=0) + +zip(frame, PSI) + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(zip(frame, PSI)) + +with open(args.output) as f: + g = [xtmp.strip() for xtmp in f] + data = [tuple(map(float, xtmp.split())) for xtmp in g[0:]] + time = [xtmp[0] for xtmp in data] + dihedral = [xtmp[1] for xtmp in data] + plt.plot(time, dihedral) + plt.xlabel('Frame No.') + plt.ylabel('Dihedral (degrees)') + plt.savefig(args.odihedral_plot, format='png') diff -r 000000000000 -r 0f270722aca6 distance_multiple.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/distance_multiple.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,56 @@ +import argparse +import sys + +import MDAnalysis as mda +from MDAnalysis.analysis import distances + +import numpy as np + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--list1', help='list 2') + parser.add_argument('--list2', help='list 2') + parser.add_argument('--output', help='output') + parser.add_argument('--header', dest='header', action='store_true') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +list1 = np.loadtxt(args.list1, dtype=str, delimiter="\t", ndmin=1) +list2 = np.loadtxt(args.list2, dtype=str, delimiter="\t", ndmin=1) + +sel1 = [u.select_atoms(selection) for selection in list1] +sel2 = [u.select_atoms(selection) for selection in list2] + +d = np.empty((u.trajectory.n_frames, list1.shape[0], list2.shape[0]),) + +for ts in u.trajectory: + c_o_m1 = np.array([selection.center_of_mass() for selection in sel1]) + c_o_m2 = np.array([selection.center_of_mass() for selection in sel2]) + distances.distance_array(c_o_m1, c_o_m2, result=d[ts.frame]) + +d = np.hstack(( + np.array(np.reshape(np.arange( + 0, d.shape[0]), (d.shape[0], 1)), dtype=int), # add column w frame + np.reshape(d, (d.shape[0], d.shape[1] * d.shape[2])) +)) + +if args.header: + header = 'Frame\t' + '\t'.join( + ['-'.join(pair) for pair in zip( + sum([[n, ] * len(list2) for n in list1], []), + list(list2) * len(list1),)]).replace(' ', '_') +else: + header = '' + +np.savetxt(args.output, d, header=header, comments='', + fmt=['%d'] + ['%f'] * (d.shape[1] - 1), delimiter='\t') diff -r 000000000000 -r 0f270722aca6 distance_single.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/distance_single.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,63 @@ +#!/usr/bin/env python + +import argparse +import sys + +import MDAnalysis as mda + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid 1') + parser.add_argument('--iname1', help='name 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--iresid2', help='resid 2') + parser.add_argument('--iname2', help='name 2') + parser.add_argument('--output', help='output') + parser.add_argument('--odistance_plot', help='odistance plot') + parser.add_argument('--header', dest='header', action='store_true') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +atom1 = "(segid %s and resid %s and name %s)" % \ + (args.isegid1, args.iresid1, args.iname1) +atom2 = "(segid %s and resid %s and name %s)" % \ + (args.isegid2, args.iresid2, args.iname2) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +x = u.select_atoms(atom1) +y = u.select_atoms(atom2) + +with open(args.output, 'w') as f: + if args.header: + f.write('Frame\tDistance') + for t in u.trajectory: + r = x.positions - y.positions + d = np.linalg.norm(r) + f.write(str(t.frame) + '\t ') + f.write(str(d) + '\n') + +with open(args.output) as f: + g = [xtmp.strip() for xtmp in f] + data = [tuple(map(float, xtmp.split())) for xtmp in g[0:]] + time = [xtmp[0] for xtmp in data] + distance = [xtmp[1] for xtmp in data] + plt.plot(time, distance) + plt.xlabel('Frame No.') + plt.ylabel(r'Distance ($\AA$)') + plt.savefig(args.odistance_plot, format='png') diff -r 000000000000 -r 0f270722aca6 end-to-end.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/end-to-end.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,96 @@ +#!/usr/bin/env python + +import argparse +import itertools +import sys + +import MDAnalysis as mda + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np +import numpy.linalg + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--ilabel', help='plot label') + parser.add_argument('--ititle1', help='plot title') + parser.add_argument('--output1', help='output1 - timeseries') + parser.add_argument('--o_plot', help='End to End plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +ntermatoms = "(segid %s and name N)" % \ + (args.isegid1) +ctermatoms = "(segid %s and name C)" % \ + (args.isegid1) +# not sure how robust this selection really is +nterm = u.select_atoms(ntermatoms)[0] # first atom named N +cterm = u.select_atoms(ctermatoms)[-1] # takes the last atom named 'C' + +enddist = [] + +for ts in u.trajectory: # iterate through all frames + r = cterm.position - nterm.position # e-to-e vector from atom positions + d = numpy.linalg.norm(r) # end-to-end distance + enddist.append((ts.frame, d)) + +enddist = np.array(enddist) + + +color = itertools.cycle(['r', 'b', 'gold']) + +fig, axs = plt.subplots(1, 2, sharex=False, sharey=False, tight_layout=True) + +params = { + 'axes.labelsize': 8, + 'legend.fontsize': 10, + 'xtick.labelsize': 10, + 'ytick.labelsize': 10, + 'text.usetex': False, + 'figure.figsize': [4.5, 4.5], + 'figure.dpi': 300 +} +plt.rcParams.update(params) + +axs[0].plot(enddist[:, 0], enddist[:, 1], 'r-', lw=2, label=args.ilabel) +axs[0].set_xlabel("number of frames") +axs[0].set_ylabel(r"End to end distance ($\AA$)") +axs[0].legend() + +n, bins, patches = axs[1].hist(enddist[:, 1], color=next( + color), label=args.ilabel, alpha=0.5, density=True, stacked=True) + +axs[1].legend() +axs[1].set_ylabel('Density Normalised Frequency') +axs[1].set_xlabel(r'End to end distance ($\AA$)') +fig.suptitle(args.ititle1, fontsize=12, fontweight='bold') +fig.subplots_adjust(top=0.45) + +print( + " \n".join( + [ + 'The End to End distance is measured between the following atoms:', + str(nterm), + str(cterm)])) + +# svg is better but sticking with png for now +plt.savefig(args.o_plot, format='png') + + +np.savetxt(args.output1, enddist, delimiter='\t') diff -r 000000000000 -r 0f270722aca6 extract_rmsd.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/extract_rmsd.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,129 @@ +import argparse +import json + +import MDAnalysis as m +from MDAnalysis.analysis import align, rms +from MDAnalysis.analysis.base import AnalysisFromFunction +from MDAnalysis.coordinates.memory import MemoryReader + +import numpy as np + + +def calc_rmsd(str_files, traj_files, ref_str, str_format, traj_format, + ref_str_format, filepath_out, group, start, end, step, + fitting_atoms): + """ + the function will cycle through range 0 to no_t and load all files found. + + str_files: text file with filepaths for structures, one on each line + traj_files: text file with filepaths for trajectories, one on each line + ref_str: reference structure for fitting + filepath_in: directory where the files are located + filepath_out: pickle file where results (3D matrix) should be saved to + + group: atoms for which RMSD should be calculated; + use the MDAnalysis selection language + fitting_atoms: atoms used for str alignment prior to RMSD calculation; + use the MDAnalysis selection language + + start: first trajectory frame to calculate RMSD + end: last trajectory frame to calculate RMSD + step: how frequently frames are sampled between start and end; obviously, + the larger the step, the quicker the script finishes + """ + + # open list of files + with open(str_files) as f1, open(traj_files) as f2: + str_file_list = f1.read().strip().split('\n') + traj_file_list = f2.read().strip().split('\n') + + if sum(1 for line in f1) != sum(1 for line in f2): + raise IOError('Number of structure and trajectory files unequal.') + + no_t = len(traj_file_list) + + data = np.zeros((no_t, no_t, + int((end - start)/step + ((end - start) % step > 0)))) + + # load files + universes = {} + + for traj in range(no_t): + mobile = m.Universe(str_file_list[traj], traj_file_list[traj], + format=traj_format, topology_format=str_format) + ref = m.Universe(ref_str, topology_format=ref_str_format) + + mobile.trajectory[-1] # set mobile trajectory to last frame + ref.trajectory[0] # set reference trajectory to first frame + + # perform alignment + align.AlignTraj(mobile, ref, select=fitting_atoms, + in_memory=True).run() + + grp = mobile.select_atoms(group) + universes[traj] = m.core.universe.Merge(grp) # create Universe w grp + coordinates = AnalysisFromFunction(lambda ag: ag.positions.copy(), + grp).run().results # write to uv + universes[traj].load_new(coordinates, format=MemoryReader) + + print("All trajs loaded by MDAnalysis") + + # calculate differences + for traj1 in range(no_t): + print("Calculating differences for traj {}".format(traj1)) + for traj2 in range(traj1): + + u1 = universes[traj1] + u2 = universes[traj2] + + l1 = u1.select_atoms(group) + l2 = u2.select_atoms(group) + + rmsd = rms.RMSD(l1, l2) + + rmsd.run() + + data[traj1, traj2] = rmsd.rmsd[:, 2] + data[traj2, traj1] = rmsd.rmsd[:, 2] + + with open(filepath_out, 'w') as f: + json.dump(data.tolist(), f, indent=4, sort_keys=True) + + print("Done!") + return + + +def main(): + parser = argparse.ArgumentParser() + parser.add_argument('--trajs', required=True, + help='File containing trajectory filepaths.') + parser.add_argument("--strs", + help='File containing structure filepaths.') + parser.add_argument("--ref-str", + help='File containing reference structure.') + parser.add_argument('--traj-format', required=True, + help='Trajectory format.') + parser.add_argument("--str-format", help='Structure format.') + parser.add_argument("--ref-str-format", + help='Reference structure format.') + parser.add_argument('-o', '--outfile', + help="Path to the output JSON file") + parser.add_argument('--group', help="Atoms for which RMSD should be" + "calculated in MDAnalysis selection language") + parser.add_argument('--fitting', help="Fitting atoms for alignment" + "prior to RMSD calculation") + parser.add_argument('--start', type=int, + help="First trajectory frame to calculate RMSD") + parser.add_argument('--end', type=int, + help="Last trajectory frame to calculate RMSD") + parser.add_argument('--step', type=int, + help="Frame sampling frequency for RMSD calculation") + args = parser.parse_args() + + calc_rmsd(args.strs, args.trajs, args.ref_str, args.str_format, + args.traj_format, args.ref_str_format, args.outfile, + args.group, args.start, args.end, args.step, args.fitting) + + +if __name__ == "__main__": + main() diff -r 000000000000 -r 0f270722aca6 hbonds.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/hbonds.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,72 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda +import MDAnalysis.analysis.hbonds + +import pandas as pd + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--idistance', help='cutoff distance') + parser.add_argument('--iangle', help='ctoff angle') + parser.add_argument('--output', help='output') + parser.add_argument('--ofreq_output', help='frequency output') + parser.add_argument('--onumber_output', help='number of hbond output') + parser.add_argument('--otime_output', help='time steps output') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +selection1 = "segid %s" % args.isegid1 +selection2 = "segid %s" % args.isegid2 +distance = float(args.idistance) +angle = float(args.iangle) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +h = MDAnalysis.analysis.hbonds.HydrogenBondAnalysis( + u, selection1, selection2, distance=distance, angle=angle) +h.run() +h.generate_table() + +df = pd.DataFrame.from_records(h.table) +df.to_csv(args.output, sep='\t') + +t1 = list(h.count_by_type()) +t2 = list(h.count_by_time()) +t3 = list(h.timesteps_by_type()) + +with open(args.ofreq_output, 'w') as f: + f.write("donor_index\tacceptor_index\t\ + donor_resname\tdonor_resid\tdonor_atom\t\ + hydrogen_atom\tacceptor_reansme\tacceptor_resid\t\ + acceptor_atom\tfrequency\n") + writer = csv.writer(f, delimiter='\t') + writer.writerows(t1) + + +with open(args.onumber_output, 'w') as f1: + f1.write("time_step\tno_of_h_bonds\n") + writer = csv.writer(f1, delimiter='\t') + writer.writerows(t2) + +with open(args.otime_output, 'w') as f2: + f2.write("donor_index\tacceptor_index\t\ + donor_resname\tdonor_resid\tdonor_atom\t\ + hydrogen_atom\tacceptor_reansme\tacceptor_resid\t\ + acceptor_atom\ttime_step\n") + writer = csv.writer(f2, delimiter='\t') + writer.writerows(t3) diff -r 000000000000 -r 0f270722aca6 macros.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,43 @@ + + 1.0.0 + + + mdanalysis + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 10.1093/bioinformatics/btz107 + 10.1002/jcc.21787 + + + + diff -r 000000000000 -r 0f270722aca6 pca_cosine.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/pca_cosine.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,49 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda +import MDAnalysis.analysis.pca as pca + +import numpy as np + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--icomponents', help='number of principle components') + parser.add_argument('--iindex', help='index of the PC') + parser.add_argument('--output', help='output') + parser.add_argument('--cosout', help='cosine output') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +components = int(args.icomponents) +pca_index = int(args.iindex) + +PSF_pca = pca.PCA(u, select='backbone') +PSF_pca.run() +n_pcs = np.where(PSF_pca.cumulated_variance > 0.95)[0][0] +atomgroup = u.select_atoms('backbone') + +pca_space = PSF_pca.transform(atomgroup, n_components=components) +cosine = mda.analysis.pca.cosine_content(pca_space, pca_index) + +PCA = list(pca_space) + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(PCA) + +with open(args.cosout, 'w') as f1: + f1.write(str(cosine)) diff -r 000000000000 -r 0f270722aca6 ramachandran_auto_protein.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ramachandran_auto_protein.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,163 @@ +#!/usr/bin/env python + +import argparse +import base64 +import importlib +import sys + +import MDAnalysis as mda +from MDAnalysis.analysis.dihedrals import Ramachandran + +import h5py + +from jinja2 import Environment, FileSystemLoader + +import matplotlib +import matplotlib.pyplot as plt +import matplotlib.ticker as ticker + +import numpy as np +import numpy.linalg + +import seaborn as sns + + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid start') + parser.add_argument('--iresid2', help='resid end') + parser.add_argument('--iresname', help='resname e.g. ALA') + parser.add_argument('--igroupby', help='groupby names or ids') + parser.add_argument('--itemplatepath', help='template path') + parser.add_argument('--o_plot1', help='MDA Ramachandran plot') + parser.add_argument('--o_plot2', help='Seaborn Ramachandran plot') + parser.add_argument('--o_data1', help='Timeseries in HDF5 format') + parser.add_argument('--o_html1', help='Html overview output of all plots') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +currentpath = "." +if args.itemplatepath is not None: + currentpath = args.itemplatepath + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +selection = "(segid %s)" % \ + (args.isegid1) + +if args.iresname is not None: + selection = "(segid %s and resname %s)" % \ + (args.isegid1, args.iresname) + +if args.iresid1 is not None and args.iresid2 is not None: + assert(int(args.iresid1) > 0), "ResID numbering starts at 1 for this tool." + assert(int(args.iresid2) > 0), "ResID numbering starts at 1 for this tool." + assert(int(args.iresid2) > int(args.iresid1) + ), "ResID2 must be at least ResID1+1" + selection = "(segid %s and resid %s-%s)" % \ + (args.isegid1, int(args.iresid1), int(args.iresid2)) + if args.iresname is not None: + selection = "(segid %s and resid %s-%s and resname %s)" % \ + (args.isegid1, int(args.iresid1), int(args.iresid2), args.iresname) + +r = u.select_atoms(selection) + +assert(r != u.select_atoms('name thiscannotpossiblyexist') + ), \ + """The selection you specified returns an empty result. + Check segment names and residue ID's. Also check the + structure and trajectory file selected are the correct ones""" + +if args.igroupby is not None: + group_selections = {} # dictionary of selections + if args.igroupby == 'name': + groupby = sorted(list(set(r.resnames))) + for e in groupby: + s = r & u.select_atoms("resname %s" % e) + this_sel = "%s and resname %s" % (selection, e) + group_selections[this_sel] = s + elif args.igroupby == 'id': + groupby = sorted(list(set(r.resids))) + for e in groupby: + s = r & u.select_atoms("resid %s" % e) + this_sel = "%s and resid %s" % (selection, e) + group_selections[this_sel] = s + else: + assert False, ("Invalid argument for igroupby. " + "Only name and id are valid options.") + + +def ramachandran_plot(atomgroup, selection, outputfile1, outputfile2, + image_format='png'): + # plot standard mdanalysis and seaborn 2D with kde + R = Ramachandran(atomgroup).run() + fig, ax = plt.subplots(figsize=plt.figaspect(1)) + R.plot(ax=ax, color='k', marker='.', ref=True) + + a = R.angles.reshape(np.prod(R.angles.shape[:2]), 2) + # open hdf file + with h5py.File(args.o_data1, 'a') as f: + setname = "%s" % (selection) + f["/" + setname + "/ramachandran/phi"] = a[:, 0] + f["/" + setname + "/ramachandran/psi"] = a[:, 1] + plt.tight_layout() + # svg is better but sticking with png for now + plt.savefig(outputfile1, format=image_format) + + sns.reset_defaults() + importlib.reload(plt) + importlib.reload(sns) + with sns.axes_style("white"): + h = sns.jointplot(x=a[:, 0], y=a[:, 1], + kind="kde", space=0) + h.set_axis_labels(r'$\phi$ (deg)', r'$\psi$ (deg)') + h.ax_joint.set_xlim(-180, 180) + h.ax_joint.set_ylim(-180, 180) + h.ax_joint.xaxis.set_major_locator(ticker.MultipleLocator(60)) + h.ax_joint.yaxis.set_major_locator(ticker.MultipleLocator(60)) + plt.savefig(outputfile2, format=image_format, bbox_inches='tight') + + +def get_base64_encoded_image(image_path): + """ encode image to string for use in html later""" + with open(image_path, "rb") as img_file: + return base64.b64encode(img_file.read()).decode('utf-8') + + +plots = [] +if args.igroupby is not None: + for k, v in group_selections.items(): + print(k, v) + try: + ramachandran_plot(v, str(k), "ramachandran1" + + str(k), "ramachandran2" + str(k)) + plots.append({'Name': "%s" % (k), 'plot1': + get_base64_encoded_image("ramachandran1" + str(k)), + 'plot2': get_base64_encoded_image("ramachandran2" + + str(k))}) + except Exception as einstance: + print(type(einstance)) + print(einstance.args) + print(einstance) + +ramachandran_plot(r, selection, args.o_plot1, args.o_plot2) +plots.insert(0, {'Name': selection, 'plot1': get_base64_encoded_image( + args.o_plot1), 'plot2': get_base64_encoded_image(args.o_plot2)}) + +template_environment = Environment(loader=FileSystemLoader( + currentpath), lstrip_blocks=True, trim_blocks=True) +template = template_environment.get_template( + 'ramachandran_auto_protein_html.j2') +with open(args.o_html1, 'w+') as f: + f.write(template.render(title="Ramachandran Plots", plots=plots)) diff -r 000000000000 -r 0f270722aca6 ramachandran_auto_protein.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ramachandran_auto_protein.xml Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,127 @@ + + - Ramachandran plot for proteins + + macros.xml + 0 + + + seaborn + h5py + jinja2 + + &1 +]]> + + + + ^[a-zA-Z0-9]{1,8}$ + + + + + + + ^[a-zA-Z0-9]{1,8}$ + + + ^[0-9]{1,6}$ + + + ^[0-9]{1,6}$ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff -r 000000000000 -r 0f270722aca6 ramachandran_auto_protein_html.j2 --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ramachandran_auto_protein_html.j2 Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,25 @@ + + + + + {{ title }} + + + + + + + + + + {% for plot in plots %} + + + + + + {% endfor %} +
SelectionRamachandran scatter plotRamachandran histogram
{{ plot['Name'] }}
+ + + diff -r 000000000000 -r 0f270722aca6 ramachandran_plots.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ramachandran_plots.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,112 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys +from collections import namedtuple + +import MDAnalysis as mda +from MDAnalysis.lib.distances import calc_dihedrals + +import matplotlib +import matplotlib.pyplot as plt +import matplotlib.ticker as ticker + + +import numpy as np + +import seaborn as sns + + +import yaml + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--iyml', help='input in yml format') + parser.add_argument('--output', help='output') + parser.add_argument('--oramachandran_plot', help='dihedral plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +with open(args.iyml) as file: + params = yaml.load(file, Loader=yaml.FullLoader) + +Dihedral = namedtuple( + 'Dihedral', ['atom1', 'atom2', 'atom3', 'atom4']) + +for k, v in params.items(): + for a in ['phi', 'psi']: + assert (a in v), "Key %s is missing in inputs: %s " % (a, k) + atoms = [] + for b in ['atom1', 'atom2', 'atom3', 'atom4']: + assert (b in v[a]), "Key %s is missing in inputs: %s %s" % ( + b, k, a) + for c in ['segid', 'resid', 'name']: + assert (c in v[a][b]), \ + "Key %s is missing in inputs: %s %s %s " % (c, k, a, b) + atoms.append("(segid %s and resid %s and name %s)" % + (v[a][b]['segid'], v[a][b]['resid'], v[a][b]['name'])) + print(atoms) + if a == 'phi': + dihe_phi = Dihedral(atoms[0], atoms[1], atoms[2], atoms[3]) + if a == 'psi': + dihe_psi = Dihedral(atoms[0], atoms[1], atoms[2], atoms[3]) + +# order of dihedral atom is the crystallographic definition +# (see glycanstructure.org) + +assert(dihe_phi), "phi dihedral doesn't exist" +assert(dihe_psi), "psi dihedral doesn't exist" + + +def calc_torsion(dihedral): + """atom 1 -4 are valid atom selections. torsion in degrees is returned""" + A = u.select_atoms(dihedral.atom1).positions + B = u.select_atoms(dihedral.atom2).positions + C = u.select_atoms(dihedral.atom3).positions + D = u.select_atoms(dihedral.atom4).positions + + dihe = calc_dihedrals(A, B, C, D) + return np.rad2deg(dihe) + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +phi_trajdata = np.array( + [(u.trajectory.frame, calc_torsion(dihe_phi)) for ts in u.trajectory]) +psi_trajdata = np.array( + [(u.trajectory.frame, calc_torsion(dihe_psi)) for ts in u.trajectory]) + +print(phi_trajdata, psi_trajdata) + +phi_frame, phi_series = phi_trajdata.T +psi_frame, psi_series = psi_trajdata.T + +phi_series = np.concatenate(phi_series, axis=0) +psi_series = np.concatenate(psi_series, axis=0) + +zip(phi_frame, phi_series, psi_series) + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(zip(phi_frame, phi_series, psi_series)) + +with sns.axes_style("white"): + h = sns.jointplot(x=phi_series, y=psi_series, + kind="kde", space=0, legend=True) + h.set_axis_labels(r'$\phi$ (degrees)', r'$\psi$ (degrees)') + h.ax_joint.set_xlim(-180, 180) + h.ax_joint.set_ylim(-180, 180) + h.ax_joint.xaxis.set_major_locator(ticker.MultipleLocator(60)) + h.ax_joint.yaxis.set_major_locator(ticker.MultipleLocator(60)) + plt.savefig(args.oramachandran_plot, format='png', bbox_inches='tight') diff -r 000000000000 -r 0f270722aca6 rdf.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/rdf.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,72 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda +from MDAnalysis.analysis.rdf import InterRDF + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid 1') + parser.add_argument('--iname1', help='name 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--iresid2', help='resid 2') + parser.add_argument('--iname2', help='name 2') + parser.add_argument('--inbins', help='Number of bins in the histogram') + parser.add_argument('--istart', help='Starting Point') + parser.add_argument('--iend', help='End point') + parser.add_argument('--output', help='output') + parser.add_argument('--ordf_plot', help='RDF plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +atom1 = "(segid %s and resid %s and name %s)" % \ + (args.isegid1, args.iresid1, args.iname1) +atom2 = "(segid %s and resid %s and name %s)" % \ + (args.isegid2, args.iresid2, args.iname2) +bins = int(args.inbins) +start = float(args.istart) +end = float(args.iend) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +x = u.select_atoms(atom1) +y = u.select_atoms(atom2) + +rdf = InterRDF(x, y, nbins=bins, range=(start, end)) +rdf.run() +bins = rdf.bins +bins = np.around(bins, decimals=3) +RDF = rdf.rdf +zip(bins, RDF) + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(zip(bins, RDF)) + +with open(args.output) as f: + g = [xtmp.strip() for xtmp in f] + data = [tuple(map(float, xtmp.split())) for xtmp in g[0:]] + time = [xtmp[0] for xtmp in data] + rdf = [xtmp[1] for xtmp in data] + plt.plot(time, rdf) + plt.xlabel(r'r ($\AA$)') + plt.ylabel('g(r)') + plt.savefig(args.ordf_plot, format='png') diff -r 000000000000 -r 0f270722aca6 test-data/Angle_Analysis_Plot.png Binary file test-data/Angle_Analysis_Plot.png has changed diff -r 000000000000 -r 0f270722aca6 test-data/Angle_Analysis_raw_data.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Angle_Analysis_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0.0 70.84919180880273 +1.0 70.97155495136695 +2.0 70.37097279938007 +3.0 70.12692388497567 +4.0 71.15946406922332 +5.0 71.91362565497833 +6.0 71.91268728348935 +7.0 71.97418402125982 +8.0 72.1521609490865 +9.0 72.3083065219282 +10.0 71.5291313235259 +11.0 81.56576116363512 +12.0 73.46330915394758 +13.0 67.04185741201445 +14.0 70.0710549275429 diff -r 000000000000 -r 0f270722aca6 test-data/Dihedral_Analysis_Plot.png Binary file test-data/Dihedral_Analysis_Plot.png has changed diff -r 000000000000 -r 0f270722aca6 test-data/Dihedral_analysis_raw_data.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Dihedral_analysis_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0 -61.75347431106646 +1 -63.57940223575045 +2 -64.3468375822089 +3 -64.2932006449013 +4 -66.17815780069928 +5 -64.57418410935712 +6 -63.95470182210953 +7 -63.215898370961455 +8 -63.05227933072821 +9 -63.350881174296354 +10 -64.12889787645014 +11 -59.11099982465991 +12 -76.10678081593274 +13 -74.55530125465415 +14 -71.01850912317343 diff -r 000000000000 -r 0f270722aca6 test-data/Distance_Analysis_Plot.png Binary file test-data/Distance_Analysis_Plot.png has changed diff -r 000000000000 -r 0f270722aca6 test-data/Distance_Analysis_raw_data.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Distance_Analysis_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0 3.8900816 +1 3.7835152 +2 3.7693398 +3 3.7851014 +4 3.6331043 +5 3.6525042 +6 3.684632 +7 3.7285593 +8 3.7090275 +9 3.6880326 +10 3.7261977 +11 3.4300115 +12 3.3902843 +13 3.3456264 +14 3.2583153 diff -r 000000000000 -r 0f270722aca6 test-data/RDF_Analysis_Plot.png Binary file test-data/RDF_Analysis_Plot.png has changed diff -r 000000000000 -r 0f270722aca6 test-data/RDF_raw_data.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/RDF_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,100 @@ +0.025 0.0 +0.075 0.0 +0.125 0.0 +0.175 0.0 +0.225 0.0 +0.275 0.0 +0.325 0.0 +0.375 0.0 +0.425 0.0 +0.475 0.0 +0.525 0.0 +0.575 0.0 +0.625 0.0 +0.675 0.0 +0.725 0.0 +0.775 0.0 +0.825 0.0 +0.875 0.0 +0.925 0.0 +0.975 0.0 +1.025 0.0 +1.075 0.0 +1.125 0.0 +1.175 0.0 +1.225 0.0 +1.275 0.0 +1.325 0.0 +1.375 0.0 +1.425 0.0 +1.475 0.0 +1.525 0.0 +1.575 0.0 +1.625 0.0 +1.675 0.0 +1.725 0.0 +1.775 0.0 +1.825 0.0 +1.875 0.0 +1.925 0.0 +1.975 0.0 +2.025 0.0 +2.075 0.0 +2.125 0.0 +2.175 0.0 +2.225 0.0 +2.275 0.0 +2.325 0.0 +2.375 0.0 +2.425 0.0 +2.475 0.0 +2.525 0.0 +2.575 0.0 +2.625 0.0 +2.675 0.0 +2.725 0.0 +2.775 0.0 +2.825 0.0 +2.875 0.0 +2.925 0.0 +2.975 0.0 +3.025 0.0 +3.075 0.0 +3.125 0.0 +3.175 0.0 +3.225 0.0 +3.275 6336.434022284689 +3.325 6147.300995012225 +3.375 5966.511251797981 +3.425 5793.58118212878 +3.475 0.0 +3.525 0.0 +3.575 0.0 +3.625 5171.934954710286 +3.675 15096.484661102078 +3.725 14693.935913907942 +3.775 14307.27600154838 +3.825 0.0 +3.875 4526.124773895681 +3.925 0.0 +3.975 0.0 +4.025 0.0 +4.075 0.0 +4.125 0.0 +4.175 0.0 +4.225 0.0 +4.275 0.0 +4.325 0.0 +4.375 0.0 +4.425 0.0 +4.475 0.0 +4.525 0.0 +4.575 0.0 +4.625 0.0 +4.675 0.0 +4.725 0.0 +4.775 0.0 +4.825 0.0 +4.875 0.0 +4.925 0.0 +4.975 0.0 diff -r 000000000000 -r 0f270722aca6 test-data/Ramachandran_Plot_raw_data.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Ramachandran_Plot_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0 -144.50369390751567 97.28315803510958 +1 -140.8182020539229 98.03359173250509 +2 -140.72994628351444 97.24540656140032 +3 -139.74848490172678 96.50804547826581 +4 -134.87886646306 95.11565955448816 +5 -133.72523437825183 98.27907111162767 +6 -132.95986510869454 98.00598700434969 +7 -132.83978048218802 97.90284983563569 +8 -132.446606581017 97.95362964393432 +9 -132.8171707044048 98.22639981540117 +10 -129.18708154562577 93.19031937895272 +11 -138.70826130463465 99.35902431554985 +12 -134.31372026825582 86.39732109628024 +13 -135.62845675103858 89.17557531169159 +14 -151.1966272020228 101.09732806451846 diff -r 000000000000 -r 0f270722aca6 test-data/Ramachandran_Plot_raw_data_gmx.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Ramachandran_Plot_raw_data_gmx.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0 -144.6049403672638 97.68547741778757 +1 -141.28378752267525 97.77436430526272 +2 -140.5507581701893 96.64897577753301 +3 -139.80360840706982 96.77167935748881 +4 -134.73236008867292 95.35031471736332 +5 -133.2788812847167 97.90764978970712 +6 -132.85758534848696 97.74270020478778 +7 -132.92861986639113 98.03936669749623 +8 -132.36160579612704 97.75307833579126 +9 -133.24942867028537 98.47767719548273 +10 -129.07281864740457 93.50325320406353 +11 -138.52555276641212 98.65922847590556 +12 -134.17197735904452 86.3334209333448 +13 -135.7743412592041 89.34890663035344 +14 -151.15173106037906 101.47282449338631 diff -r 000000000000 -r 0f270722aca6 test-data/list1.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/list1.txt Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,1 @@ +resid 212 and name OE2 diff -r 000000000000 -r 0f270722aca6 test-data/list2.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/list2.txt Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,1 @@ +resid 3 and name C1 diff -r 000000000000 -r 0f270722aca6 test-data/test.dcd Binary file test-data/test.dcd has changed diff -r 000000000000 -r 0f270722aca6 test-data/test.gro --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.gro Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,61652 @@ +Glycine aRginine prOline Methionine Alanine Cystine Serine +61649 + 2SER N 1 2.371 0.440 0.529 + 2SER HT1 2 2.277 0.401 0.505 + 2SER HT2 3 2.399 0.406 0.623 + 2SER HT3 4 2.441 0.402 0.461 + 2SER CA 5 2.369 0.591 0.523 + 2SER HA 6 2.305 0.626 0.603 + 2SER CB 7 2.513 0.648 0.547 + 2SER HB1 8 2.550 0.611 0.645 + 2SER HB2 9 2.511 0.759 0.552 + 2SER OG 10 2.603 0.606 0.444 + 2SER HG1 11 2.693 0.638 0.465 + 2SER C 12 2.309 0.645 0.394 + 2SER O 13 2.229 0.574 0.331 + 3ALA N 14 2.342 0.767 0.352 + 3ALA HN 15 2.411 0.824 0.396 + 3ALA CA 16 2.294 0.828 0.229 + 3ALA HA 17 2.242 0.755 0.168 + 3ALA CB 18 2.201 0.948 0.258 + 3ALA HB1 19 2.251 1.022 0.324 + 3ALA HB2 20 2.109 0.913 0.308 + 3ALA HB3 21 2.172 0.998 0.164 + 3ALA C 22 2.415 0.875 0.151 + 3ALA O 23 2.517 0.908 0.207 + 4CYS N 24 2.401 0.875 0.017 + 4CYS HN 25 2.314 0.848 -0.026 + 4CYS CA 26 2.503 0.915 -0.077 + 4CYS HA 27 2.577 0.976 -0.027 + 4CYS CB 28 2.570 0.795 -0.148 + 4CYS HB1 29 2.626 0.829 -0.238 + 4CYS HB2 30 2.491 0.726 -0.185 + 4CYS SG 31 2.689 0.708 -0.041 + 4CYS C 32 2.434 1.003 -0.177 + 4CYS O 33 2.310 1.011 -0.185 + 5THR N 34 2.513 1.082 -0.251 + 5THR HN 35 2.612 1.073 -0.243 + 5THR CA 36 2.463 1.189 -0.334 + 5THR HA 37 2.359 1.168 -0.361 + 5THR CB 38 2.471 1.327 -0.267 + 5THR HB 39 2.436 1.406 -0.337 + 5THR OG1 40 2.605 1.358 -0.227 + 5THR HG1 41 2.654 1.352 -0.310 + 5THR CG2 42 2.379 1.330 -0.145 + 5THR HG21 43 2.413 1.259 -0.066 + 5THR HG22 44 2.276 1.300 -0.175 + 5THR HG23 45 2.375 1.431 -0.100 + 5THR C 46 2.539 1.190 -0.465 + 5THR O 47 2.581 1.296 -0.511 + 6LEU N 48 2.559 1.072 -0.527 + 6LEU HN 49 2.522 0.985 -0.489 + 6LEU CA 50 2.613 1.064 -0.662 + 6LEU HA 51 2.693 1.135 -0.673 + 6LEU CB 52 2.664 0.921 -0.694 + 6LEU HB1 53 2.704 0.919 -0.798 + 6LEU HB2 54 2.578 0.850 -0.687 + 6LEU CG 55 2.774 0.867 -0.600 + 6LEU HG 56 2.733 0.865 -0.496 + 6LEU CD1 57 2.810 0.722 -0.638 + 6LEU HD11 58 2.849 0.716 -0.741 + 6LEU HD12 59 2.718 0.658 -0.631 + 6LEU HD13 60 2.885 0.680 -0.568 + 6LEU CD2 61 2.900 0.954 -0.602 + 6LEU HD21 62 2.877 1.056 -0.564 + 6LEU HD22 63 2.939 0.964 -0.705 + 6LEU HD23 64 2.979 0.910 -0.538 + 6LEU C 65 2.505 1.102 -0.763 + 6LEU O 66 2.529 1.158 -0.868 + 7GLN N 67 2.378 1.075 -0.725 + 7GLN HN 68 2.357 1.024 -0.641 + 7GLN CA 69 2.262 1.113 -0.801 + 7GLN HA 70 2.291 1.166 -0.890 + 7GLN CB 71 2.178 0.990 -0.840 + 7GLN HB1 72 2.098 1.021 -0.910 + 7GLN HB2 73 2.128 0.948 -0.749 + 7GLN CG 74 2.265 0.878 -0.901 + 7GLN HG1 75 2.333 0.834 -0.825 + 7GLN HG2 76 2.327 0.921 -0.984 + 7GLN CD 77 2.181 0.767 -0.962 + 7GLN OE1 78 2.190 0.744 -1.082 + 7GLN NE2 79 2.097 0.701 -0.879 + 7GLN HE21 80 2.085 0.731 -0.785 + 7GLN HE22 81 2.035 0.634 -0.921 + 7GLN C 82 2.183 1.207 -0.712 + 7GLN O 83 2.176 1.194 -0.590 + 8SER N 84 2.125 1.313 -0.770 + 8SER HN 85 2.120 1.326 -0.868 + 8SER CA 86 2.049 1.408 -0.692 + 8SER HA 87 2.102 1.426 -0.599 + 8SER CB 88 2.035 1.544 -0.763 + 8SER HB1 89 2.137 1.588 -0.771 + 8SER HB2 90 1.971 1.615 -0.705 + 8SER OG 91 1.987 1.530 -0.897 + 8SER HG1 92 1.897 1.493 -0.894 + 8SER C 93 1.913 1.356 -0.653 + 8SER O 94 1.836 1.312 -0.739 + 9GLU N 95 1.878 1.361 -0.524 + 9GLU HN 96 1.939 1.399 -0.454 + 9GLU CA 97 1.747 1.325 -0.477 + 9GLU HA 98 1.703 1.252 -0.544 + 9GLU CB 99 1.749 1.263 -0.335 + 9GLU HB1 100 1.803 1.331 -0.266 + 9GLU HB2 101 1.808 1.168 -0.340 + 9GLU CG 102 1.609 1.230 -0.275 + 9GLU HG1 103 1.547 1.322 -0.264 + 9GLU HG2 104 1.621 1.188 -0.173 + 9GLU CD 105 1.533 1.126 -0.358 + 9GLU OE1 106 1.593 1.059 -0.442 + 9GLU OE2 107 1.408 1.106 -0.335 + 9GLU C 108 1.660 1.448 -0.481 + 9GLU O 109 1.694 1.553 -0.426 + 10THR N 110 1.548 1.441 -0.555 + 10THR HN 111 1.522 1.354 -0.598 + 10THR CA 112 1.455 1.551 -0.566 + 10THR HA 113 1.464 1.616 -0.480 + 10THR CB 114 1.471 1.632 -0.695 + 10THR HB 115 1.462 1.563 -0.783 + 10THR OG1 116 1.599 1.693 -0.700 + 10THR HG1 117 1.658 1.624 -0.668 + 10THR CG2 118 1.365 1.743 -0.706 + 10THR HG21 119 1.362 1.802 -0.612 + 10THR HG22 120 1.264 1.700 -0.724 + 10THR HG23 121 1.390 1.810 -0.791 + 10THR C 122 1.318 1.492 -0.564 + 10THR O 123 1.284 1.410 -0.649 + 11HSD N 124 1.235 1.532 -0.467 + 11HSD HN 125 1.265 1.597 -0.398 + 11HSD CA 126 1.102 1.477 -0.448 + 11HSD HA 127 1.105 1.370 -0.468 + 11HSD CB 128 1.060 1.495 -0.301 + 11HSD HB1 129 0.963 1.444 -0.281 + 11HSD HB2 130 1.048 1.603 -0.278 + 11HSD ND1 131 1.223 1.513 -0.106 + 11HSD HD1 132 1.214 1.612 -0.090 + 11HSD CG 133 1.161 1.439 -0.204 + 11HSD CE1 134 1.298 1.427 -0.033 + 11HSD HE1 135 1.356 1.455 0.054 + 11HSD NE2 136 1.288 1.304 -0.078 + 11HSD CD2 137 1.201 1.310 -0.185 + 11HSD HD2 138 1.174 1.221 -0.240 + 11HSD C 139 1.001 1.546 -0.538 + 11HSD O 140 0.996 1.671 -0.535 + 12PRO N 141 0.919 1.481 -0.620 + 12PRO CD 142 0.939 1.342 -0.663 + 12PRO HD1 143 0.901 1.273 -0.584 + 12PRO HD2 144 1.046 1.320 -0.682 + 12PRO CA 145 0.811 1.545 -0.693 + 12PRO HA 146 0.859 1.616 -0.758 + 12PRO CB 147 0.745 1.432 -0.774 + 12PRO HB1 148 0.706 1.467 -0.871 + 12PRO HB2 149 0.661 1.386 -0.716 + 12PRO CG 150 0.856 1.327 -0.790 + 12PRO HG1 151 0.816 1.224 -0.803 + 12PRO HG2 152 0.918 1.353 -0.879 + 12PRO C 153 0.712 1.619 -0.603 + 12PRO O 154 0.660 1.554 -0.513 + 13PRO N 155 0.682 1.749 -0.618 + 13PRO CD 156 0.727 1.833 -0.729 + 13PRO HD1 157 0.722 1.780 -0.826 + 13PRO HD2 158 0.832 1.864 -0.707 + 13PRO CA 159 0.582 1.817 -0.537 + 13PRO HA 160 0.605 1.803 -0.432 + 13PRO CB 161 0.594 1.964 -0.580 + 13PRO HB1 162 0.677 2.011 -0.523 + 13PRO HB2 163 0.501 2.021 -0.563 + 13PRO CG 164 0.633 1.953 -0.728 + 13PRO HG1 165 0.543 1.930 -0.787 + 13PRO HG2 166 0.680 2.046 -0.767 + 13PRO C 167 0.444 1.761 -0.560 + 13PRO O 168 0.410 1.724 -0.673 + 14LEU N 169 0.362 1.755 -0.454 + 14LEU HN 170 0.393 1.785 -0.364 + 14LEU CA 171 0.225 1.713 -0.465 + 14LEU HA 172 0.188 1.735 -0.565 + 14LEU CB 173 0.210 1.562 -0.435 + 14LEU HB1 174 0.246 1.542 -0.331 + 14LEU HB2 175 0.278 1.506 -0.504 + 14LEU CG 176 0.068 1.504 -0.450 + 14LEU HG 177 -0.002 1.560 -0.384 + 14LEU CD1 178 0.017 1.514 -0.595 + 14LEU HD11 179 0.087 1.464 -0.665 + 14LEU HD12 180 0.006 1.620 -0.626 + 14LEU HD13 181 -0.082 1.465 -0.604 + 14LEU CD2 182 0.066 1.357 -0.405 + 14LEU HD21 183 0.103 1.348 -0.301 + 14LEU HD22 184 0.131 1.295 -0.472 + 14LEU HD23 185 -0.037 1.317 -0.410 + 14LEU C 186 0.144 1.796 -0.369 + 14LEU O 187 0.174 1.806 -0.250 + 15THR N 188 0.039 1.863 -0.419 + 15THR HN 189 0.015 1.860 -0.516 + 15THR CA 190 -0.046 1.946 -0.335 + 15THR HA 191 0.007 1.970 -0.244 + 15THR CB 192 -0.086 2.080 -0.395 + 15THR HB 193 -0.146 2.137 -0.320 + 15THR OG1 194 -0.162 2.070 -0.515 + 15THR HG1 195 -0.194 2.160 -0.529 + 15THR CG2 196 0.041 2.160 -0.426 + 15THR HG21 197 0.103 2.109 -0.502 + 15THR HG22 198 0.101 2.174 -0.334 + 15THR HG23 199 0.015 2.261 -0.465 + 15THR C 200 -0.169 1.869 -0.292 + 15THR O 201 -0.210 1.770 -0.352 + 16TRP N 202 -0.229 1.913 -0.181 + 16TRP HN 203 -0.196 1.993 -0.132 + 16TRP CA 204 -0.343 1.846 -0.123 + 16TRP HA 205 -0.409 1.815 -0.203 + 16TRP CB 206 -0.303 1.720 -0.040 + 16TRP HB1 207 -0.257 1.648 -0.110 + 16TRP HB2 208 -0.394 1.672 -0.001 + 16TRP CG 209 -0.207 1.742 0.074 + 16TRP CD1 210 -0.070 1.755 0.066 + 16TRP HD1 211 -0.014 1.753 -0.027 + 16TRP NE1 212 -0.019 1.769 0.192 + 16TRP HE1 213 0.076 1.775 0.218 + 16TRP CE2 214 -0.119 1.763 0.284 + 16TRP CD2 215 -0.240 1.745 0.214 + 16TRP CE3 216 -0.360 1.734 0.284 + 16TRP HE3 217 -0.454 1.719 0.233 + 16TRP CZ3 218 -0.357 1.742 0.424 + 16TRP HZ3 219 -0.449 1.732 0.479 + 16TRP CZ2 220 -0.116 1.770 0.423 + 16TRP HZ2 221 -0.022 1.783 0.475 + 16TRP CH2 222 -0.236 1.758 0.492 + 16TRP HH2 223 -0.235 1.758 0.600 + 16TRP C 224 -0.418 1.950 -0.044 + 16TRP O 225 -0.373 2.065 -0.031 + 17GLN N 226 -0.537 1.917 0.006 + 17GLN HN 227 -0.573 1.824 -0.010 + 17GLN CA 228 -0.626 2.010 0.072 + 17GLN HA 229 -0.583 2.109 0.073 + 17GLN CB 230 -0.764 2.012 0.003 + 17GLN HB1 231 -0.837 2.069 0.065 + 17GLN HB2 232 -0.800 1.908 -0.003 + 17GLN CG 233 -0.764 2.073 -0.139 + 17GLN HG1 234 -0.863 2.058 -0.185 + 17GLN HG2 235 -0.689 2.021 -0.202 + 17GLN CD 236 -0.738 2.223 -0.135 + 17GLN OE1 237 -0.808 2.295 -0.063 + 17GLN NE2 238 -0.642 2.274 -0.215 + 17GLN HE21 239 -0.634 2.374 -0.218 + 17GLN HE22 240 -0.592 2.214 -0.277 + 17GLN C 241 -0.647 1.969 0.217 + 17GLN O 242 -0.672 1.854 0.247 + 18LYS N 243 -0.643 2.068 0.308 + 18LYS HN 244 -0.622 2.162 0.282 + 18LYS CA 245 -0.681 2.044 0.446 + 18LYS HA 246 -0.704 1.939 0.461 + 18LYS CB 247 -0.572 2.082 0.548 + 18LYS HB1 248 -0.557 2.193 0.548 + 18LYS HB2 249 -0.477 2.036 0.513 + 18LYS CG 250 -0.602 2.029 0.689 + 18LYS HG1 251 -0.599 1.918 0.685 + 18LYS HG2 252 -0.706 2.058 0.719 + 18LYS CD 253 -0.505 2.082 0.795 + 18LYS HD1 254 -0.524 2.191 0.804 + 18LYS HD2 255 -0.400 2.071 0.761 + 18LYS CE 256 -0.523 2.022 0.936 + 18LYS HE1 257 -0.629 2.030 0.967 + 18LYS HE2 258 -0.460 2.078 1.007 + 18LYS NZ 259 -0.484 1.879 0.943 + 18LYS HZ1 260 -0.382 1.870 0.916 + 18LYS HZ2 261 -0.543 1.823 0.879 + 18LYS HZ3 262 -0.494 1.842 1.040 + 18LYS C 263 -0.807 2.123 0.471 + 18LYS O 264 -0.810 2.247 0.457 + 19CYS N 265 -0.916 2.053 0.503 + 19CYS HN 266 -0.908 1.953 0.517 + 19CYS CA 267 -1.048 2.108 0.522 + 19CYS HA 268 -1.051 2.208 0.481 + 19CYS CB 269 -1.156 2.025 0.449 + 19CYS HB1 270 -1.257 2.069 0.465 + 19CYS HB2 271 -1.158 1.922 0.492 + 19CYS SG 272 -1.125 2.012 0.271 + 19CYS C 273 -1.080 2.122 0.669 + 19CYS O 274 -1.012 2.070 0.757 + 20SER N 275 -1.184 2.200 0.700 + 20SER HN 276 -1.239 2.242 0.628 + 20SER CA 277 -1.219 2.236 0.835 + 20SER HA 278 -1.175 2.165 0.905 + 20SER CB 279 -1.174 2.380 0.870 + 20SER HB1 280 -1.064 2.388 0.858 + 20SER HB2 281 -1.197 2.404 0.976 + 20SER OG 282 -1.238 2.478 0.788 + 20SER HG1 283 -1.200 2.474 0.699 + 20SER C 284 -1.368 2.228 0.854 + 20SER O 285 -1.447 2.229 0.760 + 21SER N 286 -1.412 2.226 0.981 + 21SER HN 287 -1.350 2.226 1.059 + 21SER CA 288 -1.552 2.220 1.019 + 21SER HA 289 -1.601 2.146 0.956 + 21SER CB 290 -1.566 2.177 1.167 + 21SER HB1 291 -1.521 2.076 1.178 + 21SER HB2 292 -1.673 2.169 1.196 + 21SER OG 293 -1.495 2.268 1.252 + 21SER HG1 294 -1.550 2.347 1.260 + 21SER C 295 -1.625 2.352 1.000 + 21SER O 296 -1.746 2.360 1.013 + 22GLY N 297 -1.549 2.461 0.971 + 22GLY HN 298 -1.450 2.451 0.966 + 22GLY CA 299 -1.604 2.591 0.933 + 22GLY HA1 300 -1.523 2.663 0.936 + 22GLY HA2 301 -1.686 2.617 0.999 + 22GLY C 302 -1.657 2.591 0.792 + 22GLY O 303 -1.741 2.674 0.755 + 23GLY N 304 -1.610 2.497 0.709 + 23GLY HN 305 -1.542 2.431 0.744 + 23GLY CA 306 -1.661 2.475 0.575 + 23GLY HA1 307 -1.756 2.525 0.561 + 23GLY HA2 308 -1.668 2.368 0.561 + 23GLY C 309 -1.567 2.526 0.470 + 23GLY O 310 -1.609 2.554 0.358 + 24THR N 311 -1.439 2.539 0.503 + 24THR HN 312 -1.408 2.519 0.596 + 24THR CA 313 -1.336 2.591 0.415 + 24THR HA 314 -1.376 2.602 0.315 + 24THR CB 315 -1.277 2.725 0.458 + 24THR HB 316 -1.189 2.753 0.396 + 24THR OG1 317 -1.238 2.724 0.595 + 24THR HG1 318 -1.215 2.816 0.618 + 24THR CG2 319 -1.386 2.832 0.441 + 24THR HG21 320 -1.471 2.813 0.510 + 24THR HG22 321 -1.424 2.830 0.337 + 24THR HG23 322 -1.345 2.933 0.461 + 24THR C 323 -1.224 2.490 0.406 + 24THR O 324 -1.196 2.416 0.499 + 25CYS N 325 -1.157 2.486 0.288 + 25CYS HN 326 -1.183 2.544 0.212 + 25CYS CA 327 -1.039 2.406 0.269 + 25CYS HA 328 -1.008 2.363 0.362 + 25CYS CB 329 -1.057 2.294 0.163 + 25CYS HB1 330 -0.964 2.233 0.157 + 25CYS HB2 331 -1.072 2.342 0.064 + 25CYS SG 332 -1.200 2.185 0.194 + 25CYS C 333 -0.928 2.498 0.227 + 25CYS O 334 -0.952 2.611 0.179 + 26THR N 335 -0.804 2.457 0.250 + 26THR HN 336 -0.789 2.365 0.288 + 26THR CA 337 -0.684 2.536 0.227 + 26THR HA 338 -0.705 2.612 0.154 + 26THR CB 339 -0.625 2.599 0.354 + 26THR HB 340 -0.522 2.639 0.334 + 26THR OG1 341 -0.621 2.507 0.463 + 26THR HG1 342 -0.702 2.456 0.454 + 26THR CG2 343 -0.715 2.715 0.397 + 26THR HG21 344 -0.816 2.679 0.426 + 26THR HG22 345 -0.728 2.788 0.314 + 26THR HG23 346 -0.670 2.768 0.484 + 26THR C 347 -0.579 2.444 0.168 + 26THR O 348 -0.559 2.334 0.215 + 27GLN N 349 -0.511 2.490 0.059 + 27GLN HN 350 -0.537 2.576 0.015 + 27GLN CA 351 -0.401 2.414 0.002 + 27GLN HA 352 -0.441 2.315 -0.018 + 27GLN CB 353 -0.355 2.470 -0.136 + 27GLN HB1 354 -0.321 2.574 -0.122 + 27GLN HB2 355 -0.445 2.473 -0.202 + 27GLN CG 356 -0.243 2.386 -0.204 + 27GLN HG1 357 -0.276 2.280 -0.209 + 27GLN HG2 358 -0.149 2.390 -0.146 + 27GLN CD 359 -0.212 2.431 -0.347 + 27GLN OE1 360 -0.234 2.360 -0.445 + 27GLN NE2 361 -0.156 2.553 -0.360 + 27GLN HE21 362 -0.128 2.582 -0.451 + 27GLN HE22 363 -0.123 2.601 -0.279 + 27GLN C 364 -0.283 2.392 0.096 + 27GLN O 365 -0.239 2.480 0.170 + 28GLN N 366 -0.229 2.270 0.093 + 28GLN HN 367 -0.271 2.199 0.035 + 28GLN CA 368 -0.111 2.228 0.162 + 28GLN HA 369 -0.066 2.310 0.217 + 28GLN CB 370 -0.140 2.106 0.252 + 28GLN HB1 371 -0.049 2.081 0.312 + 28GLN HB2 372 -0.163 2.018 0.188 + 28GLN CG 373 -0.261 2.123 0.348 + 28GLN HG1 374 -0.270 2.030 0.408 + 28GLN HG2 375 -0.354 2.134 0.289 + 28GLN CD 376 -0.245 2.240 0.445 + 28GLN OE1 377 -0.160 2.240 0.533 + 28GLN NE2 378 -0.333 2.343 0.434 + 28GLN HE21 379 -0.397 2.346 0.357 + 28GLN HE22 380 -0.324 2.418 0.498 + 28GLN C 381 -0.017 2.185 0.051 + 28GLN O 382 -0.061 2.140 -0.055 + 29THR N 383 0.115 2.199 0.070 + 29THR HN 384 0.152 2.230 0.157 + 29THR CA 385 0.212 2.159 -0.032 + 29THR HA 386 0.163 2.109 -0.114 + 29THR CB 387 0.293 2.276 -0.087 + 29THR HB 388 0.352 2.325 -0.007 + 29THR OG1 389 0.206 2.374 -0.144 + 29THR HG1 390 0.141 2.392 -0.075 + 29THR CG2 391 0.387 2.227 -0.199 + 29THR HG21 392 0.331 2.174 -0.278 + 29THR HG22 393 0.464 2.158 -0.159 + 29THR HG23 394 0.440 2.313 -0.245 + 29THR C 395 0.307 2.060 0.031 + 29THR O 396 0.377 2.093 0.126 + 30GLY N 397 0.308 1.936 -0.022 + 30GLY HN 398 0.253 1.913 -0.102 + 30GLY CA 399 0.398 1.830 0.020 + 30GLY HA1 400 0.337 1.747 0.053 + 30GLY HA2 401 0.468 1.864 0.094 + 30GLY C 402 0.476 1.783 -0.099 + 30GLY O 403 0.488 1.852 -0.201 + 31SER N 404 0.530 1.662 -0.092 + 31SER HN 405 0.521 1.604 -0.011 + 31SER CA 406 0.607 1.603 -0.200 + 31SER HA 407 0.555 1.621 -0.293 + 31SER CB 408 0.753 1.657 -0.211 + 31SER HB1 409 0.748 1.765 -0.233 + 31SER HB2 410 0.805 1.607 -0.295 + 31SER OG 411 0.826 1.639 -0.089 + 31SER HG1 412 0.916 1.671 -0.101 + 31SER C 413 0.603 1.454 -0.178 + 31SER O 414 0.555 1.409 -0.075 + 32VAL N 415 0.646 1.373 -0.277 + 32VAL HN 416 0.681 1.410 -0.362 + 32VAL CA 417 0.645 1.228 -0.266 + 32VAL HA 418 0.610 1.200 -0.168 + 32VAL CB 419 0.554 1.157 -0.367 + 32VAL HB 420 0.564 1.047 -0.354 + 32VAL CG1 421 0.407 1.194 -0.337 + 32VAL HG11 422 0.390 1.303 -0.350 + 32VAL HG12 423 0.382 1.166 -0.232 + 32VAL HG13 424 0.339 1.139 -0.405 + 32VAL CG2 425 0.591 1.192 -0.513 + 32VAL HG21 426 0.695 1.163 -0.536 + 32VAL HG22 427 0.580 1.301 -0.530 + 32VAL HG23 428 0.524 1.139 -0.583 + 32VAL C 429 0.786 1.172 -0.275 + 32VAL O 430 0.870 1.224 -0.348 + 33VAL N 431 0.814 1.066 -0.198 + 33VAL HN 432 0.745 1.028 -0.136 + 33VAL CA 433 0.944 1.003 -0.193 + 33VAL HA 434 1.005 1.041 -0.274 + 33VAL CB 435 1.018 1.031 -0.063 + 33VAL HB 436 1.032 1.142 -0.058 + 33VAL CG1 437 0.937 0.988 0.060 + 33VAL HG11 438 0.927 0.878 0.064 + 33VAL HG12 439 0.835 1.034 0.061 + 33VAL HG13 440 0.989 1.021 0.152 + 33VAL CG2 441 1.158 0.967 -0.060 + 33VAL HG21 442 1.219 1.002 -0.146 + 33VAL HG22 443 1.152 0.856 -0.059 + 33VAL HG23 444 1.210 0.999 0.033 + 33VAL C 445 0.930 0.855 -0.218 + 33VAL O 446 0.839 0.790 -0.165 + 34ILE N 447 1.015 0.797 -0.305 + 34ILE HN 448 1.086 0.851 -0.350 + 34ILE CA 449 1.013 0.654 -0.335 + 34ILE HA 450 0.910 0.622 -0.329 + 34ILE CB 451 1.063 0.621 -0.475 + 34ILE HB 452 1.012 0.692 -0.545 + 34ILE CG2 453 1.215 0.644 -0.488 + 34ILE HG21 454 1.272 0.571 -0.426 + 34ILE HG22 455 1.243 0.747 -0.455 + 34ILE HG23 456 1.248 0.632 -0.593 + 34ILE CG1 457 1.021 0.479 -0.521 + 34ILE HG11 458 0.914 0.464 -0.495 + 34ILE HG12 459 1.079 0.403 -0.464 + 34ILE CD 460 1.037 0.455 -0.671 + 34ILE HD1 461 1.144 0.460 -0.701 + 34ILE HD2 462 0.981 0.531 -0.729 + 34ILE HD3 463 0.998 0.354 -0.699 + 34ILE C 464 1.086 0.575 -0.227 + 34ILE O 465 1.186 0.617 -0.171 + 35ASP N 466 1.030 0.455 -0.198 + 35ASP HN 467 0.944 0.428 -0.241 + 35ASP CA 468 1.082 0.359 -0.103 + 35ASP HA 469 1.084 0.409 -0.007 + 35ASP CB 470 0.983 0.241 -0.093 + 35ASP HB1 471 0.967 0.195 -0.192 + 35ASP HB2 472 0.884 0.279 -0.058 + 35ASP CG 473 1.028 0.134 0.004 + 35ASP OD1 474 1.085 0.031 -0.040 + 35ASP OD2 475 1.009 0.156 0.126 + 35ASP C 476 1.226 0.316 -0.130 + 35ASP O 477 1.276 0.311 -0.243 + 36ALA N 478 1.299 0.284 -0.022 + 36ALA HN 479 1.253 0.284 0.068 + 36ALA CA 480 1.438 0.248 -0.022 + 36ALA HA 481 1.492 0.332 -0.064 + 36ALA CB 482 1.485 0.226 0.123 + 36ALA HB1 483 1.430 0.142 0.169 + 36ALA HB2 484 1.465 0.318 0.183 + 36ALA HB3 485 1.594 0.205 0.126 + 36ALA C 486 1.472 0.127 -0.109 + 36ALA O 487 1.579 0.122 -0.169 + 37ASN N 488 1.382 0.026 -0.119 + 37ASN HN 489 1.292 0.033 -0.074 + 37ASN CA 490 1.406 -0.093 -0.200 + 37ASN HA 491 1.499 -0.136 -0.165 + 37ASN CB 492 1.292 -0.198 -0.189 + 37ASN HB1 493 1.292 -0.266 -0.276 + 37ASN HB2 494 1.193 -0.147 -0.184 + 37ASN CG 495 1.312 -0.286 -0.065 + 37ASN OD1 496 1.399 -0.265 0.018 + 37ASN ND2 497 1.234 -0.398 -0.062 + 37ASN HD21 498 1.246 -0.464 0.012 + 37ASN HD22 499 1.170 -0.416 -0.135 + 37ASN C 500 1.432 -0.066 -0.348 + 37ASN O 501 1.516 -0.131 -0.409 + 38TRP N 502 1.360 0.033 -0.407 + 38TRP HN 503 1.297 0.086 -0.351 + 38TRP CA 504 1.372 0.071 -0.547 + 38TRP HA 505 1.368 -0.019 -0.607 + 38TRP CB 506 1.254 0.164 -0.586 + 38TRP HB1 507 1.281 0.225 -0.675 + 38TRP HB2 508 1.235 0.236 -0.503 + 38TRP CG 509 1.126 0.093 -0.620 + 38TRP CD1 510 1.080 0.072 -0.747 + 38TRP HD1 511 1.131 0.106 -0.837 + 38TRP NE1 512 0.961 0.004 -0.744 + 38TRP HE1 513 0.903 -0.017 -0.820 + 38TRP CE2 514 0.928 -0.021 -0.614 + 38TRP CD2 515 1.029 0.033 -0.532 + 38TRP CE3 516 1.019 0.021 -0.394 + 38TRP HE3 517 1.092 0.063 -0.326 + 38TRP CZ3 518 0.908 -0.045 -0.341 + 38TRP HZ3 519 0.899 -0.055 -0.233 + 38TRP CZ2 520 0.818 -0.087 -0.562 + 38TRP HZ2 521 0.741 -0.129 -0.626 + 38TRP CH2 522 0.809 -0.099 -0.423 + 38TRP HH2 523 0.725 -0.149 -0.378 + 38TRP C 524 1.503 0.140 -0.580 + 38TRP O 525 1.547 0.144 -0.695 + 39ARG N 526 1.569 0.198 -0.479 + 39ARG HN 527 1.533 0.189 -0.386 + 39ARG CA 528 1.693 0.270 -0.493 + 39ARG HA 529 1.679 0.337 -0.577 + 39ARG CB 530 1.723 0.357 -0.369 + 39ARG HB1 531 1.817 0.415 -0.386 + 39ARG HB2 532 1.740 0.291 -0.281 + 39ARG CG 533 1.612 0.458 -0.339 + 39ARG HG1 534 1.515 0.404 -0.322 + 39ARG HG2 535 1.598 0.524 -0.428 + 39ARG CD 536 1.640 0.544 -0.216 + 39ARG HD1 537 1.737 0.598 -0.224 + 39ARG HD2 538 1.644 0.480 -0.124 + 39ARG NE 539 1.525 0.641 -0.203 + 39ARG HE 540 1.448 0.614 -0.147 + 39ARG CZ 541 1.521 0.758 -0.264 + 39ARG NH1 542 1.612 0.807 -0.339 + 39ARG HH11 543 1.696 0.753 -0.358 + 39ARG HH12 544 1.600 0.900 -0.380 + 39ARG NH2 545 1.410 0.834 -0.243 + 39ARG HH21 546 1.412 0.929 -0.276 + 39ARG HH22 547 1.336 0.797 -0.190 + 39ARG C 548 1.814 0.185 -0.526 + 39ARG O 549 1.827 0.067 -0.494 + 40TRP N 550 1.913 0.250 -0.592 + 40TRP HN 551 1.898 0.344 -0.621 + 40TRP CA 552 2.049 0.203 -0.596 + 40TRP HA 553 2.048 0.102 -0.635 + 40TRP CB 554 2.132 0.295 -0.690 + 40TRP HB1 555 2.133 0.396 -0.644 + 40TRP HB2 556 2.079 0.304 -0.787 + 40TRP CG 557 2.274 0.256 -0.720 + 40TRP CD1 558 2.329 0.129 -0.727 + 40TRP HD1 559 2.275 0.037 -0.706 + 40TRP NE1 560 2.460 0.139 -0.766 + 40TRP HE1 561 2.525 0.064 -0.777 + 40TRP CE2 562 2.493 0.270 -0.784 + 40TRP CD2 563 2.379 0.347 -0.757 + 40TRP CE3 564 2.385 0.486 -0.770 + 40TRP HE3 565 2.300 0.549 -0.746 + 40TRP CZ3 566 2.506 0.544 -0.809 + 40TRP HZ3 567 2.513 0.652 -0.814 + 40TRP CZ2 568 2.613 0.327 -0.823 + 40TRP HZ2 569 2.700 0.267 -0.843 + 40TRP CH2 570 2.618 0.466 -0.836 + 40TRP HH2 571 2.710 0.515 -0.865 + 40TRP C 572 2.111 0.199 -0.457 + 40TRP O 573 2.095 0.292 -0.377 + 41THR N 574 2.181 0.090 -0.424 + 41THR HN 575 2.187 0.012 -0.487 + 41THR CA 576 2.248 0.072 -0.297 + 41THR HA 577 2.247 0.164 -0.241 + 41THR CB 578 2.189 -0.041 -0.212 + 41THR HB 579 2.206 -0.140 -0.261 + 41THR OG1 580 2.048 -0.026 -0.199 + 41THR HG1 581 2.016 -0.005 -0.288 + 41THR CG2 582 2.248 -0.039 -0.071 + 41THR HG21 583 2.222 0.056 -0.020 + 41THR HG22 584 2.359 -0.048 -0.073 + 41THR HG23 585 2.207 -0.124 -0.012 + 41THR C 586 2.391 0.034 -0.330 + 41THR O 587 2.418 -0.060 -0.401 + 42HSD N 588 2.487 0.112 -0.276 + 42HSD HN 589 2.466 0.186 -0.213 + 42HSD CA 590 2.626 0.095 -0.313 + 42HSD HA 591 2.647 -0.009 -0.330 + 42HSD CB 592 2.663 0.176 -0.440 + 42HSD HB1 593 2.598 0.142 -0.523 + 42HSD HB2 594 2.768 0.158 -0.470 + 42HSD ND1 595 2.739 0.414 -0.384 + 42HSD HD1 596 2.832 0.391 -0.348 + 42HSD CG 597 2.642 0.323 -0.423 + 42HSD CE1 598 2.684 0.535 -0.388 + 42HSD HE1 599 2.736 0.628 -0.360 + 42HSD NE2 600 2.559 0.531 -0.428 + 42HSD CD2 601 2.533 0.399 -0.451 + 42HSD HD2 602 2.434 0.368 -0.485 + 42HSD C 603 2.709 0.136 -0.195 + 42HSD O 604 2.658 0.188 -0.096 + 43ALA N 605 2.840 0.106 -0.200 + 43ALA HN 606 2.875 0.055 -0.279 + 43ALA CA 607 2.936 0.143 -0.099 + 43ALA HA 608 2.900 0.101 -0.007 + 43ALA CB 609 3.074 0.082 -0.131 + 43ALA HB1 610 3.113 0.125 -0.225 + 43ALA HB2 611 3.065 -0.028 -0.142 + 43ALA HB3 612 3.146 0.103 -0.048 + 43ALA C 613 2.950 0.293 -0.077 + 43ALA O 614 2.931 0.375 -0.168 + 44THR N 615 2.987 0.335 0.043 + 44THR HN 616 3.004 0.271 0.119 + 44THR CA 617 2.998 0.477 0.079 + 44THR HA 618 2.908 0.526 0.045 + 44THR CB 619 3.010 0.498 0.229 + 44THR HB 620 3.037 0.602 0.254 + 44THR OG1 621 3.105 0.407 0.285 + 44THR HG1 622 3.099 0.415 0.380 + 44THR CG2 623 2.873 0.466 0.292 + 44THR HG21 624 2.840 0.363 0.268 + 44THR HG22 625 2.797 0.537 0.252 + 44THR HG23 626 2.877 0.476 0.402 + 44THR C 627 3.114 0.548 0.011 + 44THR O 628 3.115 0.671 -0.002 + 45ASN N 629 3.215 0.472 -0.035 + 45ASN HN 630 3.209 0.373 -0.023 + 45ASN CA 631 3.338 0.525 -0.090 + 45ASN HA 632 3.341 0.632 -0.078 + 45ASN CB 633 3.457 0.463 -0.011 + 45ASN HB1 634 3.448 0.498 0.094 + 45ASN HB2 635 3.553 0.501 -0.051 + 45ASN CG 636 3.460 0.310 -0.012 + 45ASN OD1 637 3.392 0.241 -0.089 + 45ASN ND2 638 3.539 0.254 0.082 + 45ASN HD21 639 3.530 0.154 0.093 + 45ASN HD22 640 3.573 0.310 0.157 + 45ASN C 641 3.352 0.498 -0.240 + 45ASN O 642 3.450 0.537 -0.304 + 46SER N 643 3.254 0.432 -0.303 + 46SER HN 644 3.169 0.407 -0.257 + 46SER CA 645 3.270 0.387 -0.440 + 46SER HA 646 3.310 0.469 -0.498 + 46SER CB 647 3.364 0.264 -0.458 + 46SER HB1 648 3.466 0.292 -0.424 + 46SER HB2 649 3.372 0.235 -0.565 + 46SER OG 650 3.319 0.152 -0.382 + 46SER HG1 651 3.342 0.173 -0.289 + 46SER C 652 3.134 0.358 -0.497 + 46SER O 653 3.033 0.361 -0.428 + 47SER N 654 3.126 0.330 -0.627 + 47SER HN 655 3.205 0.325 -0.687 + 47SER CA 656 3.001 0.303 -0.696 + 47SER HA 657 2.918 0.348 -0.644 + 47SER CB 658 3.010 0.361 -0.839 + 47SER HB1 659 3.018 0.471 -0.830 + 47SER HB2 660 2.918 0.339 -0.899 + 47SER OG 661 3.126 0.312 -0.907 + 47SER HG1 662 3.102 0.225 -0.942 + 47SER C 663 2.976 0.154 -0.703 + 47SER O 664 2.898 0.106 -0.785 + 48THR N 665 3.045 0.076 -0.617 + 48THR HN 666 3.099 0.121 -0.546 + 48THR CA 667 3.034 -0.069 -0.610 + 48THR HA 668 3.033 -0.108 -0.711 + 48THR CB 669 3.148 -0.135 -0.532 + 48THR HB 670 3.142 -0.109 -0.424 + 48THR OG1 671 3.275 -0.090 -0.579 + 48THR HG1 672 3.279 0.004 -0.560 + 48THR CG2 673 3.145 -0.288 -0.549 + 48THR HG21 674 3.148 -0.315 -0.656 + 48THR HG22 675 3.054 -0.332 -0.503 + 48THR HG23 676 3.234 -0.333 -0.499 + 48THR C 677 2.906 -0.105 -0.541 + 48THR O 678 2.884 -0.066 -0.426 + 49ASN N 679 2.816 -0.178 -0.609 + 49ASN HN 680 2.834 -0.203 -0.704 + 49ASN CA 681 2.688 -0.219 -0.553 + 49ASN HA 682 2.636 -0.129 -0.524 + 49ASN CB 683 2.599 -0.297 -0.653 + 49ASN HB1 684 2.511 -0.340 -0.600 + 49ASN HB2 685 2.656 -0.382 -0.697 + 49ASN CG 686 2.547 -0.209 -0.767 + 49ASN OD1 687 2.612 -0.116 -0.815 + 49ASN ND2 688 2.422 -0.236 -0.811 + 49ASN HD21 689 2.371 -0.313 -0.771 + 49ASN HD22 690 2.384 -0.183 -0.886 + 49ASN C 691 2.703 -0.304 -0.426 + 49ASN O 692 2.790 -0.389 -0.413 + 50CYS N 693 2.612 -0.281 -0.328 + 50CYS HN 694 2.546 -0.207 -0.337 + 50CYS CA 695 2.604 -0.368 -0.212 + 50CYS HA 696 2.696 -0.423 -0.197 + 50CYS CB 697 2.571 -0.287 -0.083 + 50CYS HB1 698 2.551 -0.358 0.000 + 50CYS HB2 699 2.479 -0.228 -0.100 + 50CYS SG 700 2.707 -0.178 -0.035 + 50CYS C 701 2.494 -0.469 -0.231 + 50CYS O 702 2.489 -0.572 -0.164 + 51TYR N 703 2.405 -0.443 -0.329 + 51TYR HN 704 2.413 -0.361 -0.384 + 51TYR CA 705 2.299 -0.531 -0.367 + 51TYR HA 706 2.326 -0.634 -0.348 + 51TYR CB 707 2.169 -0.493 -0.291 + 51TYR HB1 708 2.141 -0.388 -0.313 + 51TYR HB2 709 2.188 -0.501 -0.182 + 51TYR CG 710 2.053 -0.583 -0.325 + 51TYR CD1 711 2.028 -0.699 -0.249 + 51TYR HD1 712 2.096 -0.726 -0.170 + 51TYR CE1 713 1.916 -0.778 -0.275 + 51TYR HE1 714 1.898 -0.866 -0.215 + 51TYR CZ 715 1.826 -0.742 -0.375 + 51TYR OH 716 1.707 -0.816 -0.394 + 51TYR HH 717 1.654 -0.774 -0.463 + 51TYR CD2 718 1.963 -0.550 -0.428 + 51TYR HD2 719 1.983 -0.463 -0.489 + 51TYR CE2 720 1.850 -0.628 -0.453 + 51TYR HE2 721 1.781 -0.603 -0.532 + 51TYR C 722 2.286 -0.515 -0.517 + 51TYR O 723 2.274 -0.402 -0.567 + 52ASP N 724 2.289 -0.624 -0.594 + 52ASP HN 725 2.297 -0.716 -0.554 + 52ASP CA 726 2.274 -0.619 -0.738 + 52ASP HA 727 2.208 -0.536 -0.762 + 52ASP CB 728 2.410 -0.605 -0.812 + 52ASP HB1 729 2.462 -0.703 -0.818 + 52ASP HB2 730 2.476 -0.538 -0.753 + 52ASP CG 731 2.399 -0.545 -0.951 + 52ASP OD1 732 2.283 -0.513 -0.995 + 52ASP OD2 733 2.500 -0.526 -1.018 + 52ASP C 734 2.200 -0.747 -0.775 + 52ASP O 735 2.226 -0.855 -0.722 + 53GLY N 736 2.102 -0.739 -0.867 + 53GLY HN 737 2.092 -0.654 -0.919 + 53GLY CA 738 2.007 -0.848 -0.888 + 53GLY HA1 739 2.062 -0.938 -0.911 + 53GLY HA2 740 1.941 -0.819 -0.969 + 53GLY C 741 1.921 -0.877 -0.768 + 53GLY O 742 1.852 -0.787 -0.717 + 54ASN N 743 1.920 -1.003 -0.720 + 54ASN HN 744 1.971 -1.077 -0.764 + 54ASN CA 745 1.845 -1.046 -0.603 + 54ASN HA 746 1.794 -0.961 -0.562 + 54ASN CB 747 1.736 -1.151 -0.638 + 54ASN HB1 748 1.657 -1.099 -0.696 + 54ASN HB2 749 1.690 -1.190 -0.545 + 54ASN CG 750 1.783 -1.270 -0.720 + 54ASN OD1 751 1.903 -1.287 -0.751 + 54ASN ND2 752 1.688 -1.354 -0.764 + 54ASN HD21 753 1.591 -1.338 -0.742 + 54ASN HD22 754 1.715 -1.440 -0.805 + 54ASN C 755 1.938 -1.092 -0.491 + 54ASN O 756 1.898 -1.164 -0.400 + 55THR N 757 2.065 -1.050 -0.495 + 55THR HN 758 2.096 -0.987 -0.567 + 55THR CA 759 2.167 -1.095 -0.402 + 55THR HA 760 2.119 -1.139 -0.316 + 55THR CB 761 2.264 -1.199 -0.460 + 55THR HB 762 2.356 -1.210 -0.398 + 55THR OG1 763 2.299 -1.168 -0.594 + 55THR HG1 764 2.338 -1.079 -0.594 + 55THR CG2 765 2.192 -1.335 -0.460 + 55THR HG21 766 2.104 -1.334 -0.527 + 55THR HG22 767 2.157 -1.361 -0.358 + 55THR HG23 768 2.260 -1.416 -0.495 + 55THR C 769 2.247 -0.980 -0.348 + 55THR O 770 2.267 -0.877 -0.412 + 56TRP N 771 2.298 -0.996 -0.225 + 56TRP HN 772 2.282 -1.079 -0.174 + 56TRP CA 773 2.385 -0.899 -0.162 + 56TRP HA 774 2.362 -0.800 -0.199 + 56TRP CB 775 2.372 -0.900 -0.007 + 56TRP HB1 776 2.447 -0.832 0.038 + 56TRP HB2 777 2.393 -1.002 0.031 + 56TRP CG 778 2.237 -0.857 0.043 + 56TRP CD1 779 2.128 -0.936 0.067 + 56TRP HD1 780 2.122 -1.042 0.047 + 56TRP NE1 781 2.026 -0.859 0.120 + 56TRP HE1 782 1.936 -0.888 0.142 + 56TRP CE2 783 2.070 -0.730 0.132 + 56TRP CD2 784 2.202 -0.724 0.084 + 56TRP CE3 785 2.271 -0.603 0.086 + 56TRP HE3 786 2.373 -0.595 0.052 + 56TRP CZ3 787 2.205 -0.489 0.134 + 56TRP HZ3 788 2.257 -0.394 0.137 + 56TRP CZ2 789 2.006 -0.618 0.184 + 56TRP HZ2 790 1.906 -0.625 0.222 + 56TRP CH2 791 2.076 -0.497 0.184 + 56TRP HH2 792 2.029 -0.408 0.224 + 56TRP C 793 2.530 -0.927 -0.196 + 56TRP O 794 2.570 -1.039 -0.225 + 57SER N 795 2.614 -0.822 -0.189 + 57SER HN 796 2.577 -0.731 -0.170 + 57SER CA 797 2.759 -0.836 -0.192 + 57SER HA 798 2.785 -0.901 -0.273 + 57SER CB 799 2.829 -0.699 -0.213 + 57SER HB1 800 2.798 -0.630 -0.131 + 57SER HB2 801 2.793 -0.655 -0.309 + 57SER OG 802 2.971 -0.711 -0.215 + 57SER HG1 803 2.993 -0.761 -0.295 + 57SER C 804 2.811 -0.899 -0.064 + 57SER O 805 2.783 -0.852 0.046 + 58SER N 806 2.889 -1.007 -0.073 + 58SER HN 807 2.920 -1.045 -0.160 + 58SER CA 808 2.932 -1.080 0.045 + 58SER HA 809 2.850 -1.084 0.116 + 58SER CB 810 2.969 -1.227 0.010 + 58SER HB1 811 2.877 -1.277 -0.026 + 58SER HB2 812 3.003 -1.281 0.102 + 58SER OG 813 3.069 -1.236 -0.092 + 58SER HG1 814 3.093 -1.329 -0.093 + 58SER C 815 3.048 -1.015 0.118 + 58SER O 816 3.070 -1.036 0.237 + 59THR N 817 3.124 -0.928 0.048 + 59THR HN 818 3.107 -0.912 -0.049 + 59THR CA 819 3.240 -0.861 0.105 + 59THR HA 820 3.281 -0.920 0.186 + 59THR CB 821 3.350 -0.839 0.001 + 59THR HB 822 3.431 -0.775 0.041 + 59THR OG1 823 3.295 -0.782 -0.118 + 59THR HG1 824 3.366 -0.741 -0.168 + 59THR CG2 825 3.411 -0.975 -0.037 + 59THR HG21 826 3.333 -1.042 -0.082 + 59THR HG22 827 3.451 -1.025 0.054 + 59THR HG23 828 3.493 -0.962 -0.110 + 59THR C 829 3.205 -0.725 0.163 + 59THR O 830 3.271 -0.676 0.254 + 60LEU N 831 3.098 -0.660 0.112 + 60LEU HN 832 3.053 -0.695 0.030 + 60LEU CA 833 3.050 -0.535 0.168 + 60LEU HA 834 3.130 -0.484 0.219 + 60LEU CB 835 2.992 -0.442 0.058 + 60LEU HB1 836 2.942 -0.353 0.104 + 60LEU HB2 837 2.915 -0.498 0.001 + 60LEU CG 838 3.098 -0.388 -0.041 + 60LEU HG 839 3.159 -0.475 -0.077 + 60LEU CD1 840 3.030 -0.326 -0.164 + 60LEU HD11 841 2.968 -0.238 -0.134 + 60LEU HD12 842 2.963 -0.400 -0.213 + 60LEU HD13 843 3.105 -0.292 -0.238 + 60LEU CD2 844 3.191 -0.286 0.026 + 60LEU HD21 845 3.244 -0.331 0.113 + 60LEU HD22 846 3.132 -0.199 0.063 + 60LEU HD23 847 3.267 -0.250 -0.045 + 60LEU C 848 2.942 -0.558 0.271 + 60LEU O 849 2.922 -0.476 0.360 + 61CYS N 850 2.874 -0.675 0.264 + 61CYS HN 851 2.893 -0.741 0.192 + 61CYS CA 852 2.765 -0.710 0.353 + 61CYS HA 853 2.767 -0.647 0.440 + 61CYS CB 854 2.628 -0.690 0.283 + 61CYS HB1 855 2.546 -0.724 0.350 + 61CYS HB2 856 2.621 -0.753 0.191 + 61CYS SG 857 2.603 -0.516 0.238 + 61CYS C 858 2.780 -0.853 0.402 + 61CYS O 859 2.703 -0.942 0.361 + 62PRO N 860 2.875 -0.885 0.489 + 62PRO CD 861 2.985 -0.797 0.531 + 62PRO HD1 862 2.947 -0.698 0.565 + 62PRO HD2 863 3.055 -0.784 0.445 + 62PRO CA 864 2.884 -1.016 0.552 + 62PRO HA 865 2.868 -1.093 0.477 + 62PRO CB 866 3.026 -1.018 0.610 + 62PRO HB1 867 3.096 -1.052 0.529 + 62PRO HB2 868 3.038 -1.086 0.697 + 62PRO CG 869 3.056 -0.872 0.644 + 62PRO HG1 870 3.011 -0.846 0.742 + 62PRO HG2 871 3.165 -0.851 0.647 + 62PRO C 872 2.777 -1.035 0.660 + 62PRO O 873 2.736 -1.147 0.686 + 63ASP N 874 2.740 -0.926 0.730 + 63ASP HN 875 2.781 -0.838 0.711 + 63ASP CA 876 2.642 -0.925 0.836 + 63ASP HA 877 2.570 -1.005 0.818 + 63ASP CB 878 2.708 -0.944 0.976 + 63ASP HB1 879 2.753 -1.045 0.980 + 63ASP HB2 880 2.630 -0.941 1.055 + 63ASP CG 881 2.816 -0.842 1.007 + 63ASP OD1 882 2.935 -0.876 1.005 + 63ASP OD2 883 2.782 -0.720 1.031 + 63ASP C 884 2.563 -0.796 0.828 + 63ASP O 885 2.601 -0.701 0.758 + 64ASN N 886 2.449 -0.792 0.898 + 64ASN HN 887 2.422 -0.871 0.955 + 64ASN CA 888 2.355 -0.681 0.896 + 64ASN HA 889 2.323 -0.668 0.793 + 64ASN CB 890 2.232 -0.714 0.984 + 64ASN HB1 891 2.162 -0.628 0.988 + 64ASN HB2 892 2.265 -0.738 1.087 + 64ASN CG 893 2.153 -0.831 0.927 + 64ASN OD1 894 2.163 -0.867 0.810 + 64ASN ND2 895 2.068 -0.892 1.013 + 64ASN HD21 896 2.017 -0.970 0.979 + 64ASN HD22 897 2.076 -0.874 1.111 + 64ASN C 898 2.412 -0.548 0.941 + 64ASN O 899 2.389 -0.444 0.876 + 65GLU N 900 2.489 -0.544 1.051 + 65GLU HN 901 2.510 -0.629 1.102 + 65GLU CA 902 2.555 -0.424 1.097 + 65GLU HA 903 2.480 -0.346 1.103 + 65GLU CB 904 2.618 -0.439 1.238 + 65GLU HB1 905 2.690 -0.356 1.251 + 65GLU HB2 906 2.678 -0.533 1.245 + 65GLU CG 907 2.519 -0.429 1.356 + 65GLU HG1 908 2.479 -0.530 1.380 + 65GLU HG2 909 2.433 -0.364 1.329 + 65GLU CD 910 2.586 -0.370 1.480 + 65GLU OE1 911 2.639 -0.252 1.461 + 65GLU OE2 912 2.595 -0.430 1.585 + 65GLU C 913 2.662 -0.373 1.004 + 65GLU O 914 2.668 -0.252 0.974 + 66THR N 915 2.751 -0.460 0.956 + 66THR HN 916 2.746 -0.558 0.984 + 66THR CA 917 2.862 -0.424 0.868 + 66THR HA 918 2.915 -0.343 0.916 + 66THR CB 919 2.961 -0.538 0.847 + 66THR HB 920 2.908 -0.627 0.807 + 66THR OG1 921 3.019 -0.571 0.972 + 66THR HG1 922 2.958 -0.640 1.008 + 66THR CG2 923 3.075 -0.498 0.752 + 66THR HG21 924 3.124 -0.404 0.786 + 66THR HG22 925 3.038 -0.483 0.649 + 66THR HG23 926 3.151 -0.579 0.749 + 66THR C 927 2.814 -0.367 0.737 + 66THR O 928 2.866 -0.265 0.689 + 67CYS N 929 2.710 -0.427 0.679 + 67CYS HN 930 2.670 -0.509 0.722 + 67CYS CA 931 2.645 -0.380 0.558 + 67CYS HA 932 2.718 -0.382 0.478 + 67CYS CB 933 2.529 -0.477 0.527 + 67CYS HB1 934 2.452 -0.468 0.606 + 67CYS HB2 935 2.568 -0.581 0.535 + 67CYS SG 936 2.455 -0.458 0.362 + 67CYS C 937 2.590 -0.239 0.568 + 67CYS O 938 2.612 -0.155 0.481 + 68ALA N 939 2.520 -0.206 0.678 + 68ALA HN 940 2.504 -0.274 0.749 + 68ALA CA 941 2.465 -0.073 0.700 + 68ALA HA 942 2.401 -0.049 0.617 + 68ALA CB 943 2.383 -0.074 0.830 + 68ALA HB1 944 2.445 -0.100 0.918 + 68ALA HB2 945 2.303 -0.150 0.820 + 68ALA HB3 946 2.335 0.024 0.847 + 68ALA C 947 2.570 0.037 0.710 + 68ALA O 948 2.552 0.148 0.657 + 69LYS N 949 2.681 0.008 0.779 + 69LYS HN 950 2.689 -0.083 0.820 + 69LYS CA 951 2.797 0.095 0.791 + 69LYS HA 952 2.761 0.191 0.826 + 69LYS CB 953 2.899 0.039 0.894 + 69LYS HB1 954 2.988 0.106 0.897 + 69LYS HB2 955 2.933 -0.061 0.857 + 69LYS CG 956 2.841 0.024 1.036 + 69LYS HG1 957 2.749 -0.038 1.029 + 69LYS HG2 958 2.809 0.124 1.074 + 69LYS CD 959 2.938 -0.042 1.136 + 69LYS HD1 960 2.998 0.034 1.189 + 69LYS HD2 961 3.010 -0.102 1.075 + 69LYS CE 962 2.874 -0.139 1.237 + 69LYS HE1 963 2.951 -0.183 1.304 + 69LYS HE2 964 2.827 -0.222 1.180 + 69LYS NZ 965 2.769 -0.076 1.322 + 69LYS HZ1 966 2.693 -0.037 1.263 + 69LYS HZ2 967 2.805 -0.003 1.386 + 69LYS HZ3 968 2.723 -0.150 1.384 + 69LYS C 969 2.868 0.122 0.659 + 69LYS O 970 2.914 0.234 0.632 + 70ASN N 971 2.880 0.019 0.573 + 70ASN HN 972 2.842 -0.071 0.598 + 70ASN CA 973 2.956 0.024 0.450 + 70ASN HA 974 3.041 0.089 0.462 + 70ASN CB 975 3.002 -0.119 0.410 + 70ASN HB1 976 3.044 -0.119 0.307 + 70ASN HB2 977 2.916 -0.189 0.414 + 70ASN CG 978 3.112 -0.173 0.502 + 70ASN OD1 979 3.163 -0.109 0.595 + 70ASN ND2 980 3.153 -0.298 0.472 + 70ASN HD21 981 3.099 -0.353 0.410 + 70ASN HD22 982 3.232 -0.334 0.523 + 70ASN C 983 2.876 0.077 0.332 + 70ASN O 984 2.934 0.109 0.228 + 71CYS N 985 2.742 0.086 0.343 + 71CYS HN 986 2.697 0.062 0.428 + 71CYS CA 987 2.656 0.108 0.228 + 71CYS HA 988 2.717 0.134 0.142 + 71CYS CB 989 2.575 -0.020 0.190 + 71CYS HB1 990 2.516 -0.002 0.099 + 71CYS HB2 991 2.505 -0.043 0.273 + 71CYS SG 992 2.684 -0.164 0.165 + 71CYS C 993 2.561 0.223 0.248 + 71CYS O 994 2.530 0.270 0.359 + 72CYS N 995 2.511 0.277 0.137 + 72CYS HN 996 2.537 0.242 0.046 + 72CYS CA 997 2.427 0.393 0.137 + 72CYS HA 998 2.374 0.400 0.230 + 72CYS CB 999 2.509 0.522 0.114 + 72CYS HB1 1000 2.574 0.537 0.203 + 72CYS HB2 1001 2.441 0.610 0.108 + 72CYS SG 1002 2.617 0.518 -0.032 + 72CYS C 1003 2.321 0.380 0.030 + 72CYS O 1004 2.333 0.301 -0.063 + 73LEU N 1005 2.213 0.458 0.047 + 73LEU HN 1006 2.206 0.518 0.126 + 73LEU CA 1007 2.108 0.473 -0.051 + 73LEU HA 1008 2.110 0.390 -0.121 + 73LEU CB 1009 1.969 0.484 0.016 + 73LEU HB1 1010 1.891 0.498 -0.062 + 73LEU HB2 1011 1.968 0.574 0.082 + 73LEU CG 1012 1.930 0.362 0.102 + 73LEU HG 1013 2.013 0.340 0.174 + 73LEU CD1 1014 1.805 0.394 0.185 + 73LEU HD11 1015 1.719 0.417 0.119 + 73LEU HD12 1016 1.822 0.482 0.251 + 73LEU HD13 1017 1.777 0.307 0.248 + 73LEU CD2 1018 1.907 0.236 0.016 + 73LEU HD21 1019 1.999 0.209 -0.039 + 73LEU HD22 1020 1.826 0.253 -0.057 + 73LEU HD23 1021 1.878 0.150 0.080 + 73LEU C 1022 2.137 0.600 -0.128 + 73LEU O 1023 2.188 0.697 -0.072 + 74ASP N 1024 2.103 0.602 -0.258 + 74ASP HN 1025 2.062 0.523 -0.302 + 74ASP CA 1026 2.131 0.716 -0.343 + 74ASP HA 1027 2.161 0.800 -0.282 + 74ASP CB 1028 2.248 0.684 -0.442 + 74ASP HB1 1029 2.212 0.631 -0.532 + 74ASP HB2 1030 2.320 0.617 -0.390 + 74ASP CG 1031 2.325 0.810 -0.483 + 74ASP OD1 1032 2.259 0.899 -0.546 + 74ASP OD2 1033 2.445 0.826 -0.456 + 74ASP C 1034 2.000 0.757 -0.410 + 74ASP O 1035 1.897 0.689 -0.401 + 75GLY N 1036 2.001 0.877 -0.471 + 75GLY HN 1037 2.092 0.919 -0.481 + 75GLY CA 1038 1.890 0.943 -0.537 + 75GLY HA1 1039 1.930 1.031 -0.585 + 75GLY HA2 1040 1.818 0.967 -0.461 + 75GLY C 1041 1.818 0.865 -0.644 + 75GLY O 1042 1.864 0.765 -0.696 + 76ALA N 1043 1.698 0.915 -0.679 + 76ALA HN 1044 1.663 0.997 -0.634 + 76ALA CA 1045 1.609 0.850 -0.771 + 76ALA HA 1046 1.658 0.765 -0.817 + 76ALA CB 1047 1.485 0.800 -0.693 + 76ALA HB1 1048 1.439 0.885 -0.637 + 76ALA HB2 1049 1.515 0.723 -0.619 + 76ALA HB3 1050 1.409 0.756 -0.760 + 76ALA C 1051 1.567 0.944 -0.883 + 76ALA O 1052 1.528 1.059 -0.863 + 77ALA N 1053 1.573 0.897 -1.009 + 77ALA HN 1054 1.607 0.805 -1.027 + 77ALA CA 1055 1.521 0.971 -1.121 + 77ALA HA 1056 1.521 1.077 -1.099 + 77ALA CB 1057 1.603 0.949 -1.250 + 77ALA HB1 1058 1.612 0.841 -1.273 + 77ALA HB2 1059 1.704 0.992 -1.236 + 77ALA HB3 1060 1.555 1.001 -1.335 + 77ALA C 1061 1.377 0.928 -1.143 + 77ALA O 1062 1.347 0.835 -1.218 + 78TYR N 1063 1.283 0.997 -1.076 + 78TYR HN 1064 1.312 1.069 -1.014 + 78TYR CA 1065 1.145 0.956 -1.066 + 78TYR HA 1066 1.141 0.860 -1.015 + 78TYR CB 1067 1.064 1.060 -0.985 + 78TYR HB1 1068 0.954 1.046 -0.996 + 78TYR HB2 1069 1.088 1.163 -1.019 + 78TYR CG 1070 1.097 1.048 -0.839 + 78TYR CD1 1071 1.212 1.109 -0.785 + 78TYR HD1 1072 1.280 1.165 -0.847 + 78TYR CE1 1073 1.243 1.094 -0.649 + 78TYR HE1 1074 1.333 1.138 -0.609 + 78TYR CZ 1075 1.157 1.024 -0.565 + 78TYR OH 1076 1.188 1.007 -0.428 + 78TYR HH 1077 1.270 1.057 -0.407 + 78TYR CD2 1078 1.010 0.979 -0.753 + 78TYR HD2 1079 0.921 0.933 -0.792 + 78TYR CE2 1080 1.039 0.968 -0.617 + 78TYR HE2 1081 0.971 0.915 -0.551 + 78TYR C 1082 1.075 0.935 -1.199 + 78TYR O 1083 1.010 0.832 -1.221 + 79ALA N 1084 1.089 1.029 -1.293 + 79ALA HN 1085 1.146 1.109 -1.275 + 79ALA CA 1086 1.014 1.023 -1.416 + 79ALA HA 1087 0.913 0.992 -1.393 + 79ALA CB 1088 1.010 1.164 -1.478 + 79ALA HB1 1089 1.110 1.195 -1.516 + 79ALA HB2 1090 0.978 1.238 -1.403 + 79ALA HB3 1091 0.937 1.166 -1.561 + 79ALA C 1092 1.069 0.924 -1.516 + 79ALA O 1093 0.995 0.849 -1.580 + 80SER N 1094 1.202 0.920 -1.534 + 80SER HN 1095 1.263 0.975 -1.477 + 80SER CA 1096 1.263 0.843 -1.641 + 80SER HA 1097 1.194 0.837 -1.725 + 80SER CB 1098 1.394 0.908 -1.692 + 80SER HB1 1099 1.367 1.003 -1.741 + 80SER HB2 1100 1.444 0.844 -1.768 + 80SER OG 1101 1.483 0.937 -1.584 + 80SER HG1 1102 1.506 0.853 -1.542 + 80SER C 1103 1.295 0.700 -1.604 + 80SER O 1104 1.314 0.617 -1.692 + 81THR N 1105 1.302 0.669 -1.474 + 81THR HN 1106 1.293 0.738 -1.403 + 81THR CA 1107 1.339 0.535 -1.430 + 81THR HA 1108 1.367 0.472 -1.513 + 81THR CB 1109 1.453 0.536 -1.330 + 81THR HB 1110 1.428 0.600 -1.242 + 81THR OG1 1111 1.569 0.591 -1.393 + 81THR HG1 1112 1.598 0.521 -1.451 + 81THR CG2 1113 1.490 0.396 -1.280 + 81THR HG21 1114 1.517 0.329 -1.365 + 81THR HG22 1115 1.407 0.349 -1.224 + 81THR HG23 1116 1.576 0.401 -1.210 + 81THR C 1117 1.221 0.468 -1.365 + 81THR O 1118 1.196 0.351 -1.388 + 82TYR N 1119 1.146 0.543 -1.282 + 82TYR HN 1120 1.166 0.638 -1.263 + 82TYR CA 1121 1.043 0.482 -1.199 + 82TYR HA 1122 1.054 0.375 -1.199 + 82TYR CB 1123 1.057 0.532 -1.052 + 82TYR HB1 1124 0.980 0.484 -0.988 + 82TYR HB2 1125 1.045 0.642 -1.045 + 82TYR CG 1126 1.193 0.492 -1.000 + 82TYR CD1 1127 1.219 0.358 -0.970 + 82TYR HD1 1128 1.139 0.286 -0.981 + 82TYR CE1 1129 1.345 0.316 -0.926 + 82TYR HE1 1130 1.364 0.212 -0.905 + 82TYR CZ 1131 1.448 0.410 -0.911 + 82TYR OH 1132 1.575 0.369 -0.867 + 82TYR HH 1133 1.566 0.276 -0.840 + 82TYR CD2 1134 1.297 0.586 -0.983 + 82TYR HD2 1135 1.278 0.690 -1.005 + 82TYR CE2 1136 1.424 0.545 -0.940 + 82TYR HE2 1137 1.503 0.616 -0.928 + 82TYR C 1138 0.904 0.510 -1.250 + 82TYR O 1139 0.806 0.454 -1.198 + 83GLY N 1140 0.888 0.594 -1.354 + 83GLY HN 1141 0.968 0.638 -1.393 + 83GLY CA 1142 0.758 0.624 -1.415 + 83GLY HA1 1143 0.709 0.530 -1.439 + 83GLY HA2 1144 0.776 0.685 -1.502 + 83GLY C 1145 0.666 0.701 -1.325 + 83GLY O 1146 0.543 0.691 -1.334 + 84VAL N 1147 0.723 0.783 -1.236 + 84VAL HN 1148 0.823 0.788 -1.232 + 84VAL CA 1149 0.650 0.859 -1.138 + 84VAL HA 1150 0.547 0.827 -1.134 + 84VAL CB 1151 0.710 0.845 -0.998 + 84VAL HB 1152 0.819 0.869 -1.002 + 84VAL CG1 1153 0.641 0.938 -0.896 + 84VAL HG11 1154 0.531 0.920 -0.897 + 84VAL HG12 1155 0.660 1.045 -0.919 + 84VAL HG13 1156 0.678 0.918 -0.794 + 84VAL CG2 1157 0.695 0.698 -0.953 + 84VAL HG21 1158 0.748 0.629 -1.022 + 84VAL HG22 1159 0.588 0.668 -0.951 + 84VAL HG23 1160 0.737 0.683 -0.852 + 84VAL C 1161 0.652 1.004 -1.181 + 84VAL O 1162 0.756 1.063 -1.211 + 85THR N 1163 0.533 1.066 -1.187 + 85THR HN 1164 0.449 1.018 -1.160 + 85THR CA 1165 0.521 1.204 -1.230 + 85THR HA 1166 0.611 1.257 -1.206 + 85THR CB 1167 0.489 1.224 -1.379 + 85THR HB 1168 0.458 1.329 -1.398 + 85THR OG1 1169 0.386 1.139 -1.425 + 85THR HG1 1170 0.409 1.051 -1.392 + 85THR CG2 1171 0.614 1.197 -1.465 + 85THR HG21 1172 0.646 1.091 -1.456 + 85THR HG22 1173 0.698 1.262 -1.434 + 85THR HG23 1174 0.591 1.216 -1.572 + 85THR C 1175 0.411 1.269 -1.150 + 85THR O 1176 0.318 1.204 -1.103 + 86THR N 1177 0.421 1.401 -1.131 + 86THR HN 1178 0.496 1.454 -1.168 + 86THR CA 1179 0.321 1.478 -1.059 + 86THR HA 1180 0.230 1.420 -1.052 + 86THR CB 1181 0.359 1.525 -0.919 + 86THR HB 1182 0.279 1.588 -0.874 + 86THR OG1 1183 0.481 1.600 -0.915 + 86THR HG1 1184 0.485 1.629 -0.822 + 86THR CG2 1185 0.375 1.402 -0.827 + 86THR HG21 1186 0.453 1.332 -0.865 + 86THR HG22 1187 0.279 1.347 -0.822 + 86THR HG23 1188 0.402 1.433 -0.724 + 86THR C 1189 0.288 1.600 -1.142 + 86THR O 1190 0.360 1.638 -1.234 + 87SER N 1191 0.174 1.663 -1.109 + 87SER HN 1192 0.117 1.625 -1.036 + 87SER CA 1193 0.130 1.785 -1.175 + 87SER HA 1194 0.211 1.855 -1.177 + 87SER CB 1195 0.074 1.762 -1.318 + 87SER HB1 1196 -0.013 1.693 -1.316 + 87SER HB2 1197 0.153 1.714 -1.379 + 87SER OG 1198 0.037 1.885 -1.383 + 87SER HG1 1199 -0.032 1.927 -1.330 + 87SER C 1200 0.020 1.842 -1.089 + 87SER O 1201 -0.095 1.795 -1.092 + 88GLY N 1202 0.049 1.945 -1.009 + 88GLY HN 1203 0.142 1.985 -1.012 + 88GLY CA 1204 -0.045 2.001 -0.913 + 88GLY HA1 1205 -0.135 2.028 -0.967 + 88GLY HA2 1206 0.002 2.087 -0.867 + 88GLY C 1207 -0.083 1.907 -0.801 + 88GLY O 1208 -0.000 1.865 -0.721 + 89ASN N 1209 -0.212 1.870 -0.795 + 89ASN HN 1210 -0.278 1.897 -0.865 + 89ASN CA 1211 -0.267 1.782 -0.693 + 89ASN HA 1212 -0.199 1.778 -0.609 + 89ASN CB 1213 -0.404 1.836 -0.641 + 89ASN HB1 1214 -0.386 1.935 -0.595 + 89ASN HB2 1215 -0.442 1.767 -0.563 + 89ASN CG 1216 -0.510 1.853 -0.751 + 89ASN OD1 1217 -0.484 1.845 -0.871 + 89ASN ND2 1218 -0.635 1.882 -0.709 + 89ASN HD21 1219 -0.707 1.879 -0.778 + 89ASN HD22 1220 -0.655 1.893 -0.612 + 89ASN C 1221 -0.282 1.640 -0.746 + 89ASN O 1222 -0.355 1.560 -0.691 + 90SER N 1223 -0.214 1.609 -0.859 + 90SER HN 1224 -0.156 1.678 -0.902 + 90SER CA 1225 -0.223 1.481 -0.928 + 90SER HA 1226 -0.293 1.417 -0.876 + 90SER CB 1227 -0.269 1.498 -1.075 + 90SER HB1 1228 -0.194 1.557 -1.132 + 90SER HB2 1229 -0.364 1.557 -1.074 + 90SER OG 1230 -0.296 1.375 -1.142 + 90SER HG1 1231 -0.213 1.325 -1.148 + 90SER C 1232 -0.089 1.410 -0.927 + 90SER O 1233 0.016 1.473 -0.942 + 91LEU N 1234 -0.094 1.277 -0.912 + 91LEU HN 1235 -0.183 1.231 -0.900 + 91LEU CA 1236 0.019 1.186 -0.910 + 91LEU HA 1237 0.108 1.235 -0.946 + 91LEU CB 1238 0.040 1.129 -0.767 + 91LEU HB1 1239 -0.060 1.095 -0.731 + 91LEU HB2 1240 0.072 1.212 -0.701 + 91LEU CG 1241 0.138 1.011 -0.752 + 91LEU HG 1242 0.109 0.929 -0.823 + 91LEU CD1 1243 0.283 1.050 -0.784 + 91LEU HD11 1244 0.320 1.126 -0.711 + 91LEU HD12 1245 0.292 1.091 -0.886 + 91LEU HD13 1246 0.348 0.961 -0.778 + 91LEU CD2 1247 0.129 0.951 -0.611 + 91LEU HD21 1248 0.026 0.915 -0.591 + 91LEU HD22 1249 0.156 1.027 -0.535 + 91LEU HD23 1250 0.198 0.864 -0.601 + 91LEU C 1251 -0.013 1.072 -1.005 + 91LEU O 1252 -0.120 1.011 -0.996 + 92SER N 1253 0.077 1.041 -1.099 + 92SER HN 1254 0.164 1.090 -1.106 + 92SER CA 1255 0.060 0.928 -1.191 + 92SER HA 1256 -0.029 0.872 -1.165 + 92SER CB 1257 0.052 0.969 -1.340 + 92SER HB1 1258 0.046 0.877 -1.404 + 92SER HB2 1259 0.144 1.025 -1.368 + 92SER OG 1260 -0.063 1.050 -1.367 + 92SER HG1 1261 -0.141 0.997 -1.344 + 92SER C 1262 0.178 0.836 -1.172 + 92SER O 1263 0.291 0.880 -1.157 + 93ILE N 1264 0.150 0.703 -1.170 + 93ILE HN 1265 0.057 0.669 -1.182 + 93ILE CA 1266 0.252 0.600 -1.158 + 93ILE HA 1267 0.351 0.643 -1.167 + 93ILE CB 1268 0.243 0.520 -1.027 + 93ILE HB 1269 0.150 0.457 -1.028 + 93ILE CG2 1270 0.365 0.424 -1.018 + 93ILE HG21 1271 0.460 0.482 -1.020 + 93ILE HG22 1272 0.367 0.352 -1.102 + 93ILE HG23 1273 0.362 0.365 -0.924 + 93ILE CG1 1274 0.232 0.612 -0.902 + 93ILE HG11 1275 0.147 0.683 -0.916 + 93ILE HG12 1276 0.325 0.671 -0.892 + 93ILE CD 1277 0.204 0.535 -0.772 + 93ILE HD1 1278 0.290 0.470 -0.744 + 93ILE HD2 1279 0.115 0.470 -0.783 + 93ILE HD3 1280 0.185 0.605 -0.688 + 93ILE C 1281 0.232 0.506 -1.276 + 93ILE O 1282 0.123 0.448 -1.290 + 94ASP N 1283 0.333 0.488 -1.362 + 94ASP HN 1284 0.419 0.539 -1.351 + 94ASP CA 1285 0.328 0.398 -1.475 + 94ASP HA 1286 0.224 0.383 -1.504 + 94ASP CB 1287 0.406 0.449 -1.600 + 94ASP HB1 1288 0.412 0.368 -1.676 + 94ASP HB2 1289 0.508 0.478 -1.570 + 94ASP CG 1290 0.340 0.566 -1.673 + 94ASP OD1 1291 0.232 0.616 -1.630 + 94ASP OD2 1292 0.395 0.602 -1.780 + 94ASP C 1293 0.382 0.260 -1.435 + 94ASP O 1294 0.479 0.248 -1.362 + 95PHE N 1295 0.313 0.152 -1.479 + 95PHE HN 1296 0.234 0.164 -1.540 + 95PHE CA 1297 0.341 0.016 -1.437 + 95PHE HA 1298 0.337 0.015 -1.328 + 95PHE CB 1299 0.229 -0.075 -1.493 + 95PHE HB1 1300 0.231 -0.069 -1.604 + 95PHE HB2 1301 0.130 -0.039 -1.458 + 95PHE CG 1302 0.240 -0.220 -1.452 + 95PHE CD1 1303 0.259 -0.256 -1.318 + 95PHE HD1 1304 0.270 -0.181 -1.242 + 95PHE CE1 1305 0.265 -0.391 -1.281 + 95PHE HE1 1306 0.282 -0.420 -1.178 + 95PHE CZ 1307 0.249 -0.491 -1.378 + 95PHE HZ 1308 0.254 -0.595 -1.350 + 95PHE CD2 1309 0.224 -0.321 -1.548 + 95PHE HD2 1310 0.209 -0.294 -1.652 + 95PHE CE2 1311 0.228 -0.456 -1.512 + 95PHE HE2 1312 0.214 -0.533 -1.586 + 95PHE C 1313 0.479 -0.038 -1.472 + 95PHE O 1314 0.549 -0.093 -1.388 + 96VAL N 1315 0.523 -0.020 -1.599 + 96VAL HN 1316 0.467 0.029 -1.665 + 96VAL CA 1317 0.652 -0.068 -1.643 + 96VAL HA 1318 0.710 -0.100 -1.558 + 96VAL CB 1319 0.645 -0.187 -1.739 + 96VAL HB 1320 0.584 -0.158 -1.828 + 96VAL CG1 1321 0.786 -0.230 -1.786 + 96VAL HG11 1322 0.850 -0.251 -1.698 + 96VAL HG12 1323 0.834 -0.153 -1.849 + 96VAL HG13 1324 0.778 -0.324 -1.845 + 96VAL CG2 1325 0.577 -0.306 -1.668 + 96VAL HG21 1326 0.473 -0.280 -1.639 + 96VAL HG22 1327 0.632 -0.333 -1.576 + 96VAL HG23 1328 0.573 -0.395 -1.734 + 96VAL C 1329 0.726 0.049 -1.702 + 96VAL O 1330 0.673 0.132 -1.779 + 97THR N 1331 0.852 0.066 -1.664 + 97THR HN 1332 0.892 0.000 -1.599 + 97THR CA 1333 0.937 0.169 -1.718 + 97THR HA 1334 0.892 0.211 -1.807 + 97THR CB 1335 0.966 0.282 -1.620 + 97THR HB 1336 1.021 0.242 -1.532 + 97THR OG1 1337 0.846 0.342 -1.573 + 97THR HG1 1338 0.773 0.307 -1.624 + 97THR CG2 1339 1.045 0.398 -1.683 + 97THR HG21 1340 0.989 0.441 -1.769 + 97THR HG22 1341 1.146 0.366 -1.716 + 97THR HG23 1342 1.058 0.478 -1.607 + 97THR C 1343 1.064 0.100 -1.760 + 97THR O 1344 1.114 0.012 -1.694 + 98GLN N 1345 1.116 0.138 -1.880 + 98GLN HN 1346 1.076 0.211 -1.933 + 98GLN CA 1347 1.241 0.087 -1.930 + 98GLN HA 1348 1.284 0.015 -1.861 + 98GLN CB 1349 1.226 0.022 -2.070 + 98GLN HB1 1350 1.327 0.005 -2.115 + 98GLN HB2 1351 1.173 0.094 -2.136 + 98GLN CG 1352 1.148 -0.112 -2.071 + 98GLN HG1 1353 1.118 -0.134 -2.175 + 98GLN HG2 1354 1.057 -0.104 -2.008 + 98GLN CD 1355 1.231 -0.231 -2.020 + 98GLN OE1 1356 1.347 -0.219 -1.978 + 98GLN NE2 1357 1.173 -0.352 -2.026 + 98GLN HE21 1358 1.224 -0.428 -1.986 + 98GLN HE22 1359 1.077 -0.362 -2.052 + 98GLN C 1360 1.336 0.203 -1.939 + 98GLN O 1361 1.301 0.313 -1.983 + 99SER N 1362 1.459 0.183 -1.892 + 99SER HN 1363 1.484 0.092 -1.857 + 99SER CA 1364 1.563 0.284 -1.892 + 99SER HA 1365 1.553 0.345 -1.980 + 99SER CB 1366 1.558 0.375 -1.766 + 99SER HB1 1367 1.463 0.433 -1.769 + 99SER HB2 1368 1.642 0.448 -1.768 + 99SER OG 1369 1.563 0.301 -1.644 + 99SER HG1 1370 1.486 0.242 -1.642 + 99SER C 1371 1.693 0.209 -1.908 + 99SER O 1372 1.708 0.134 -2.003 + 100ALA N 1373 1.789 0.221 -1.814 + 100ALA HN 1374 1.774 0.279 -1.735 + 100ALA CA 1375 1.905 0.134 -1.812 + 100ALA HA 1376 1.945 0.122 -1.912 + 100ALA CB 1377 2.013 0.192 -1.718 + 100ALA HB1 1378 1.975 0.199 -1.614 + 100ALA HB2 1379 2.044 0.293 -1.752 + 100ALA HB3 1380 2.103 0.126 -1.717 + 100ALA C 1381 1.868 -0.006 -1.762 + 100ALA O 1382 1.939 -0.103 -1.783 + 101GLN N 1383 1.752 -0.014 -1.695 + 101GLN HN 1384 1.698 0.068 -1.677 + 101GLN CA 1385 1.693 -0.137 -1.652 + 101GLN HA 1386 1.714 -0.212 -1.727 + 101GLN CB 1387 1.750 -0.188 -1.516 + 101GLN HB1 1388 1.847 -0.236 -1.540 + 101GLN HB2 1389 1.683 -0.266 -1.474 + 101GLN CG 1390 1.779 -0.081 -1.406 + 101GLN HG1 1391 1.868 -0.022 -1.437 + 101GLN HG2 1392 1.803 -0.130 -1.310 + 101GLN CD 1393 1.668 0.021 -1.381 + 101GLN OE1 1394 1.690 0.141 -1.390 + 101GLN NE2 1395 1.546 -0.027 -1.344 + 101GLN HE21 1396 1.473 0.038 -1.331 + 101GLN HE22 1397 1.529 -0.125 -1.338 + 101GLN C 1398 1.542 -0.126 -1.652 + 101GLN O 1399 1.486 -0.014 -1.656 + 102LYS N 1400 1.473 -0.240 -1.654 + 102LYS HN 1401 1.522 -0.327 -1.666 + 102LYS CA 1402 1.332 -0.252 -1.627 + 102LYS HA 1403 1.282 -0.178 -1.687 + 102LYS CB 1404 1.279 -0.391 -1.668 + 102LYS HB1 1405 1.335 -0.469 -1.611 + 102LYS HB2 1406 1.303 -0.405 -1.776 + 102LYS CG 1407 1.128 -0.414 -1.647 + 102LYS HG1 1408 1.070 -0.335 -1.698 + 102LYS HG2 1409 1.105 -0.410 -1.538 + 102LYS CD 1410 1.085 -0.552 -1.699 + 102LYS HD1 1411 1.158 -0.627 -1.661 + 102LYS HD2 1412 1.091 -0.551 -1.810 + 102LYS CE 1413 0.944 -0.593 -1.656 + 102LYS HE1 1414 0.865 -0.532 -1.705 + 102LYS HE2 1415 0.933 -0.583 -1.546 + 102LYS NZ 1416 0.922 -0.735 -1.690 + 102LYS HZ1 1417 0.998 -0.791 -1.646 + 102LYS HZ2 1418 0.914 -0.753 -1.791 + 102LYS HZ3 1419 0.835 -0.770 -1.639 + 102LYS C 1420 1.300 -0.221 -1.481 + 102LYS O 1421 1.368 -0.264 -1.390 + 103ASN N 1422 1.192 -0.143 -1.462 + 103ASN HN 1423 1.143 -0.106 -1.541 + 103ASN CA 1424 1.136 -0.112 -1.334 + 103ASN HA 1425 1.184 -0.168 -1.255 + 103ASN CB 1426 1.146 0.041 -1.308 + 103ASN HB1 1427 1.109 0.096 -1.396 + 103ASN HB2 1428 1.253 0.068 -1.292 + 103ASN CG 1429 1.069 0.083 -1.183 + 103ASN OD1 1430 1.118 0.057 -1.072 + 103ASN ND2 1431 0.952 0.147 -1.199 + 103ASN HD21 1432 0.895 0.164 -1.118 + 103ASN HD22 1433 0.916 0.168 -1.290 + 103ASN C 1434 0.992 -0.157 -1.340 + 103ASN O 1435 0.929 -0.147 -1.446 + 104VAL N 1436 0.938 -0.206 -1.227 + 104VAL HN 1437 0.990 -0.216 -1.143 + 104VAL CA 1438 0.798 -0.239 -1.214 + 104VAL HA 1439 0.744 -0.208 -1.302 + 104VAL CB 1440 0.775 -0.388 -1.194 + 104VAL HB 1441 0.825 -0.424 -1.101 + 104VAL CG1 1442 0.624 -0.418 -1.184 + 104VAL HG11 1443 0.569 -0.379 -1.273 + 104VAL HG12 1444 0.579 -0.374 -1.093 + 104VAL HG13 1445 0.607 -0.528 -1.180 + 104VAL CG2 1446 0.835 -0.462 -1.314 + 104VAL HG21 1447 0.945 -0.449 -1.321 + 104VAL HG22 1448 0.788 -0.428 -1.409 + 104VAL HG23 1449 0.816 -0.571 -1.302 + 104VAL C 1450 0.744 -0.159 -1.097 + 104VAL O 1451 0.794 -0.167 -0.985 + 105GLY N 1452 0.642 -0.075 -1.124 + 105GLY HN 1453 0.608 -0.072 -1.218 + 105GLY CA 1454 0.573 0.009 -1.026 + 105GLY HA1 1455 0.520 -0.058 -0.961 + 105GLY HA2 1456 0.508 0.075 -1.082 + 105GLY C 1457 0.659 0.098 -0.938 + 105GLY O 1458 0.773 0.130 -0.964 + 106ALA N 1459 0.596 0.144 -0.827 + 106ALA HN 1460 0.504 0.116 -0.805 + 106ALA CA 1461 0.663 0.225 -0.729 + 106ALA HA 1462 0.761 0.184 -0.710 + 106ALA CB 1463 0.675 0.373 -0.773 + 106ALA HB1 1464 0.575 0.417 -0.791 + 106ALA HB2 1465 0.733 0.380 -0.867 + 106ALA HB3 1466 0.727 0.434 -0.695 + 106ALA C 1467 0.584 0.218 -0.601 + 106ALA O 1468 0.465 0.185 -0.602 + 107ARG N 1469 0.648 0.250 -0.488 + 107ARG HN 1470 0.746 0.271 -0.488 + 107ARG CA 1471 0.581 0.270 -0.362 + 107ARG HA 1472 0.475 0.279 -0.377 + 107ARG CB 1473 0.610 0.156 -0.262 + 107ARG HB1 1474 0.719 0.145 -0.247 + 107ARG HB2 1475 0.574 0.062 -0.309 + 107ARG CG 1476 0.540 0.173 -0.125 + 107ARG HG1 1477 0.433 0.201 -0.144 + 107ARG HG2 1478 0.586 0.256 -0.068 + 107ARG CD 1479 0.538 0.045 -0.039 + 107ARG HD1 1480 0.483 -0.035 -0.094 + 107ARG HD2 1481 0.485 0.066 0.057 + 107ARG NE 1482 0.678 0.007 -0.007 + 107ARG HE 1483 0.732 0.072 0.049 + 107ARG CZ 1484 0.729 -0.117 -0.007 + 107ARG NH1 1485 0.658 -0.220 -0.060 + 107ARG HH11 1486 0.575 -0.202 -0.107 + 107ARG HH12 1487 0.706 -0.308 -0.064 + 107ARG NH2 1488 0.844 -0.143 0.036 + 107ARG HH21 1489 0.910 -0.067 0.057 + 107ARG HH22 1490 0.880 -0.236 0.025 + 107ARG C 1491 0.633 0.403 -0.311 + 107ARG O 1492 0.751 0.427 -0.302 + 108LEU N 1493 0.537 0.496 -0.286 + 108LEU HN 1494 0.440 0.474 -0.293 + 108LEU CA 1495 0.566 0.635 -0.262 + 108LEU HA 1496 0.673 0.650 -0.253 + 108LEU CB 1497 0.507 0.724 -0.374 + 108LEU HB1 1498 0.523 0.831 -0.351 + 108LEU HB2 1499 0.397 0.705 -0.377 + 108LEU CG 1500 0.562 0.695 -0.515 + 108LEU HG 1501 0.561 0.585 -0.533 + 108LEU CD1 1502 0.471 0.757 -0.622 + 108LEU HD11 1503 0.469 0.868 -0.611 + 108LEU HD12 1504 0.368 0.718 -0.611 + 108LEU HD13 1505 0.507 0.732 -0.723 + 108LEU CD2 1506 0.705 0.747 -0.531 + 108LEU HD21 1507 0.771 0.698 -0.457 + 108LEU HD22 1508 0.710 0.856 -0.516 + 108LEU HD23 1509 0.744 0.723 -0.633 + 108LEU C 1510 0.503 0.677 -0.131 + 108LEU O 1511 0.393 0.633 -0.097 + 109TYR N 1512 0.570 0.765 -0.056 + 109TYR HN 1513 0.661 0.796 -0.085 + 109TYR CA 1514 0.520 0.816 0.070 + 109TYR HA 1515 0.425 0.771 0.094 + 109TYR CB 1516 0.621 0.794 0.186 + 109TYR HB1 1517 0.577 0.822 0.284 + 109TYR HB2 1518 0.712 0.854 0.169 + 109TYR CG 1519 0.660 0.649 0.192 + 109TYR CD1 1520 0.562 0.552 0.214 + 109TYR HD1 1521 0.460 0.584 0.229 + 109TYR CE1 1522 0.594 0.416 0.208 + 109TYR HE1 1523 0.517 0.341 0.222 + 109TYR CZ 1524 0.726 0.376 0.183 + 109TYR OH 1525 0.759 0.240 0.166 + 109TYR HH 1526 0.857 0.230 0.167 + 109TYR CD2 1527 0.793 0.609 0.173 + 109TYR HD2 1528 0.871 0.682 0.159 + 109TYR CE2 1529 0.826 0.472 0.169 + 109TYR HE2 1530 0.928 0.442 0.152 + 109TYR C 1531 0.499 0.965 0.056 + 109TYR O 1532 0.579 1.034 -0.006 + 110LEU N 1533 0.389 1.018 0.113 + 110LEU HN 1534 0.324 0.959 0.161 + 110LEU CA 1535 0.372 1.163 0.120 + 110LEU HA 1536 0.403 1.204 0.025 + 110LEU CB 1537 0.224 1.205 0.143 + 110LEU HB1 1538 0.195 1.174 0.246 + 110LEU HB2 1539 0.161 1.148 0.072 + 110LEU CG 1540 0.195 1.356 0.125 + 110LEU HG 1541 0.268 1.415 0.185 + 110LEU CD1 1542 0.206 1.400 -0.021 + 110LEU HD11 1543 0.132 1.345 -0.083 + 110LEU HD12 1544 0.307 1.379 -0.062 + 110LEU HD13 1545 0.186 1.509 -0.031 + 110LEU CD2 1546 0.056 1.391 0.180 + 110LEU HD21 1547 0.049 1.364 0.287 + 110LEU HD22 1548 -0.023 1.337 0.124 + 110LEU HD23 1549 0.037 1.500 0.170 + 110LEU C 1550 0.461 1.224 0.227 + 110LEU O 1551 0.474 1.176 0.339 + 111MET N 1552 0.524 1.338 0.194 + 111MET HN 1553 0.516 1.375 0.101 + 111MET CA 1554 0.615 1.407 0.281 + 111MET HA 1555 0.632 1.348 0.370 + 111MET CB 1556 0.751 1.432 0.214 + 111MET HB1 1557 0.817 1.480 0.289 + 111MET HB2 1558 0.740 1.501 0.128 + 111MET CG 1559 0.823 1.306 0.165 + 111MET HG1 1560 0.773 1.270 0.072 + 111MET HG2 1561 0.814 1.224 0.240 + 111MET SD 1562 0.999 1.339 0.131 + 111MET CE 1563 1.060 1.299 0.297 + 111MET HE1 1564 1.035 1.194 0.324 + 111MET HE2 1565 1.015 1.366 0.373 + 111MET HE3 1566 1.170 1.309 0.301 + 111MET C 1567 0.561 1.540 0.327 + 111MET O 1568 0.479 1.605 0.259 + 112ALA N 1569 0.604 1.585 0.445 + 112ALA HN 1570 0.669 1.529 0.498 + 112ALA CA 1571 0.569 1.715 0.498 + 112ALA HA 1572 0.481 1.753 0.448 + 112ALA CB 1573 0.542 1.703 0.649 + 112ALA HB1 1574 0.628 1.659 0.703 + 112ALA HB2 1575 0.454 1.638 0.667 + 112ALA HB3 1576 0.519 1.802 0.693 + 112ALA C 1577 0.683 1.814 0.481 + 112ALA O 1578 0.664 1.935 0.493 + 113SER N 1579 0.803 1.763 0.450 + 113SER HN 1580 0.817 1.664 0.440 + 113SER CA 1581 0.921 1.842 0.422 + 113SER HA 1582 0.895 1.918 0.351 + 113SER CB 1583 0.989 1.902 0.549 + 113SER HB1 1584 0.914 1.958 0.607 + 113SER HB2 1585 1.066 1.976 0.515 + 113SER OG 1586 1.054 1.805 0.632 + 113SER HG1 1587 0.986 1.757 0.683 + 113SER C 1588 1.015 1.745 0.355 + 113SER O 1589 0.987 1.626 0.352 + 114ASP N 1590 1.130 1.791 0.304 + 114ASP HN 1591 1.151 1.888 0.304 + 114ASP CA 1592 1.225 1.704 0.237 + 114ASP HA 1593 1.172 1.648 0.160 + 114ASP CB 1594 1.340 1.787 0.175 + 114ASP HB1 1595 1.422 1.721 0.141 + 114ASP HB2 1596 1.379 1.858 0.250 + 114ASP CG 1597 1.299 1.865 0.052 + 114ASP OD1 1598 1.197 1.834 -0.013 + 114ASP OD2 1599 1.386 1.949 0.014 + 114ASP C 1600 1.291 1.600 0.328 + 114ASP O 1601 1.356 1.508 0.281 + 115THR N 1602 1.281 1.617 0.462 + 115THR HN 1603 1.235 1.698 0.498 + 115THR CA 1604 1.340 1.523 0.556 + 115THR HA 1605 1.386 1.441 0.502 + 115THR CB 1606 1.450 1.585 0.644 + 115THR HB 1607 1.487 1.514 0.721 + 115THR OG1 1608 1.412 1.706 0.708 + 115THR HG1 1609 1.324 1.693 0.745 + 115THR CG2 1610 1.569 1.619 0.552 + 115THR HG21 1611 1.538 1.693 0.476 + 115THR HG22 1612 1.605 1.527 0.501 + 115THR HG23 1613 1.651 1.663 0.612 + 115THR C 1614 1.240 1.454 0.647 + 115THR O 1615 1.281 1.381 0.735 + 116THR N 1616 1.107 1.475 0.628 + 116THR HN 1617 1.074 1.531 0.553 + 116THR CA 1618 1.007 1.416 0.717 + 116THR HA 1619 1.046 1.324 0.758 + 116THR CB 1620 0.960 1.506 0.834 + 116THR HB 1621 0.885 1.450 0.896 + 116THR OG1 1622 0.901 1.628 0.789 + 116THR HG1 1623 0.818 1.600 0.748 + 116THR CG2 1624 1.077 1.542 0.926 + 116THR HG21 1625 1.151 1.606 0.872 + 116THR HG22 1626 1.128 1.450 0.961 + 116THR HG23 1627 1.040 1.598 1.014 + 116THR C 1628 0.881 1.378 0.643 + 116THR O 1629 0.832 1.452 0.556 + 117TYR N 1630 0.819 1.265 0.680 + 117TYR HN 1631 0.859 1.206 0.751 + 117TYR CA 1632 0.689 1.224 0.632 + 117TYR HA 1633 0.691 1.233 0.525 + 117TYR CB 1634 0.654 1.077 0.667 + 117TYR HB1 1635 0.555 1.048 0.626 + 117TYR HB2 1636 0.652 1.064 0.777 + 117TYR CG 1637 0.754 0.983 0.606 + 117TYR CD1 1638 0.778 0.980 0.468 + 117TYR HD1 1639 0.726 1.049 0.402 + 117TYR CE1 1640 0.868 0.887 0.414 + 117TYR HE1 1641 0.887 0.885 0.308 + 117TYR CZ 1642 0.932 0.795 0.497 + 117TYR OH 1643 1.020 0.700 0.442 + 117TYR HH 1644 1.042 0.635 0.511 + 117TYR CD2 1645 0.819 0.890 0.688 + 117TYR HD2 1646 0.798 0.888 0.794 + 117TYR CE2 1647 0.908 0.797 0.634 + 117TYR HE2 1648 0.956 0.724 0.699 + 117TYR C 1649 0.575 1.312 0.679 + 117TYR O 1650 0.585 1.387 0.777 + 118GLN N 1651 0.462 1.309 0.606 + 118GLN HN 1652 0.456 1.250 0.525 + 118GLN CA 1653 0.340 1.372 0.649 + 118GLN HA 1654 0.362 1.453 0.717 + 118GLN CB 1655 0.261 1.427 0.527 + 118GLN HB1 1656 0.237 1.342 0.459 + 118GLN HB2 1657 0.329 1.495 0.472 + 118GLN CG 1658 0.131 1.505 0.561 + 118GLN HG1 1659 0.058 1.438 0.610 + 118GLN HG2 1660 0.086 1.542 0.467 + 118GLN CD 1661 0.160 1.625 0.650 + 118GLN OE1 1662 0.211 1.728 0.603 + 118GLN NE2 1663 0.129 1.615 0.780 + 118GLN HE21 1664 0.083 1.533 0.814 + 118GLN HE22 1665 0.163 1.690 0.838 + 118GLN C 1666 0.254 1.271 0.724 + 118GLN O 1667 0.209 1.172 0.669 + 119GLU N 1668 0.229 1.300 0.853 + 119GLU HN 1669 0.269 1.380 0.896 + 119GLU CA 1670 0.147 1.217 0.939 + 119GLU HA 1671 0.153 1.113 0.907 + 119GLU CB 1672 0.191 1.229 1.087 + 119GLU HB1 1673 0.126 1.164 1.151 + 119GLU HB2 1674 0.178 1.334 1.120 + 119GLU CG 1675 0.338 1.188 1.112 + 119GLU HG1 1676 0.368 1.213 1.216 + 119GLU HG2 1677 0.407 1.237 1.041 + 119GLU CD 1678 0.359 1.037 1.099 + 119GLU OE1 1679 0.257 0.964 1.093 + 119GLU OE2 1680 0.477 0.998 1.100 + 119GLU C 1681 0.004 1.262 0.932 + 119GLU O 1682 -0.025 1.382 0.920 + 120PHE N 1683 -0.090 1.167 0.942 + 120PHE HN 1684 -0.062 1.070 0.941 + 120PHE CA 1685 -0.232 1.192 0.943 + 120PHE HA 1686 -0.251 1.298 0.957 + 120PHE CB 1687 -0.302 1.142 0.814 + 120PHE HB1 1688 -0.412 1.148 0.823 + 120PHE HB2 1689 -0.274 1.036 0.796 + 120PHE CG 1690 -0.260 1.222 0.694 + 120PHE CD1 1691 -0.140 1.193 0.625 + 120PHE HD1 1692 -0.074 1.116 0.663 + 120PHE CE1 1693 -0.109 1.259 0.506 + 120PHE HE1 1694 -0.018 1.233 0.454 + 120PHE CZ 1695 -0.196 1.357 0.455 + 120PHE HZ 1696 -0.172 1.408 0.363 + 120PHE CD2 1697 -0.346 1.320 0.641 + 120PHE HD2 1698 -0.439 1.340 0.692 + 120PHE CE2 1699 -0.314 1.388 0.523 + 120PHE HE2 1700 -0.382 1.462 0.483 + 120PHE C 1701 -0.294 1.120 1.060 + 120PHE O 1702 -0.275 1.002 1.080 + 121THR N 1703 -0.374 1.192 1.141 + 121THR HN 1704 -0.384 1.290 1.130 + 121THR CA 1705 -0.452 1.130 1.247 + 121THR HA 1706 -0.413 1.032 1.272 + 121THR CB 1707 -0.455 1.214 1.374 + 121THR HB 1708 -0.495 1.315 1.352 + 121THR OG1 1709 -0.322 1.227 1.423 + 121THR HG1 1710 -0.296 1.135 1.442 + 121THR CG2 1711 -0.539 1.148 1.484 + 121THR HG21 1712 -0.500 1.046 1.508 + 121THR HG22 1713 -0.646 1.139 1.455 + 121THR HG23 1714 -0.534 1.209 1.577 + 121THR C 1715 -0.591 1.110 1.194 + 121THR O 1716 -0.667 1.207 1.175 + 122LEU N 1717 -0.627 0.986 1.160 + 122LEU HN 1718 -0.565 0.909 1.177 + 122LEU CA 1719 -0.749 0.957 1.087 + 122LEU HA 1720 -0.762 1.032 1.010 + 122LEU CB 1721 -0.738 0.818 1.018 + 122LEU HB1 1722 -0.835 0.793 0.968 + 122LEU HB2 1723 -0.719 0.741 1.095 + 122LEU CG 1724 -0.628 0.807 0.910 + 122LEU HG 1725 -0.530 0.836 0.955 + 122LEU CD1 1726 -0.615 0.661 0.863 + 122LEU HD11 1727 -0.709 0.627 0.817 + 122LEU HD12 1728 -0.590 0.594 0.948 + 122LEU HD13 1729 -0.533 0.652 0.788 + 122LEU CD2 1730 -0.655 0.899 0.790 + 122LEU HD21 1731 -0.655 1.005 0.820 + 122LEU HD22 1732 -0.753 0.874 0.744 + 122LEU HD23 1733 -0.576 0.884 0.713 + 122LEU C 1734 -0.874 0.961 1.172 + 122LEU O 1735 -0.983 0.991 1.122 + 123LEU N 1736 -0.864 0.936 1.303 + 123LEU HN 1737 -0.775 0.919 1.345 + 123LEU CA 1738 -0.981 0.925 1.389 + 123LEU HA 1739 -1.048 0.855 1.339 + 123LEU CB 1740 -0.946 0.867 1.528 + 123LEU HB1 1741 -0.880 0.940 1.580 + 123LEU HB2 1742 -0.887 0.775 1.513 + 123LEU CG 1743 -1.067 0.834 1.618 + 123LEU HG 1744 -1.134 0.923 1.623 + 123LEU CD1 1745 -1.147 0.715 1.562 + 123LEU HD11 1746 -1.082 0.626 1.551 + 123LEU HD12 1747 -1.189 0.739 1.462 + 123LEU HD13 1748 -1.231 0.689 1.629 + 123LEU CD2 1749 -1.023 0.803 1.762 + 123LEU HD21 1750 -0.963 0.888 1.802 + 123LEU HD22 1751 -0.959 0.712 1.764 + 123LEU HD23 1752 -1.111 0.787 1.827 + 123LEU C 1753 -1.059 1.055 1.405 + 123LEU O 1754 -1.006 1.157 1.452 + 124GLY N 1755 -1.188 1.056 1.367 + 124GLY HN 1756 -1.230 0.974 1.325 + 124GLY CA 1757 -1.274 1.174 1.373 + 124GLY HA1 1758 -1.245 1.236 1.457 + 124GLY HA2 1759 -1.376 1.140 1.378 + 124GLY C 1760 -1.263 1.258 1.249 + 124GLY O 1761 -1.309 1.373 1.245 + 125ASN N 1762 -1.203 1.204 1.143 + 125ASN HN 1763 -1.173 1.108 1.147 + 125ASN CA 1764 -1.172 1.274 1.021 + 125ASN HA 1765 -1.235 1.361 1.012 + 125ASN CB 1766 -1.022 1.315 1.013 + 125ASN HB1 1767 -1.001 1.366 0.916 + 125ASN HB2 1768 -0.957 1.226 1.019 + 125ASN CG 1769 -0.986 1.415 1.122 + 125ASN OD1 1770 -1.017 1.533 1.113 + 125ASN ND2 1771 -0.909 1.370 1.224 + 125ASN HD21 1772 -0.873 1.276 1.222 + 125ASN HD22 1773 -0.893 1.428 1.301 + 125ASN C 1774 -1.208 1.183 0.904 + 125ASN O 1775 -1.238 1.066 0.919 + 126GLU N 1776 -1.208 1.242 0.783 + 126GLU HN 1777 -1.185 1.338 0.772 + 126GLU CA 1778 -1.236 1.169 0.662 + 126GLU HA 1779 -1.228 1.063 0.680 + 126GLU CB 1780 -1.378 1.204 0.607 + 126GLU HB1 1781 -1.450 1.191 0.691 + 126GLU HB2 1782 -1.405 1.129 0.529 + 126GLU CG 1783 -1.391 1.346 0.546 + 126GLU HG1 1784 -1.332 1.352 0.453 + 126GLU HG2 1785 -1.352 1.420 0.618 + 126GLU CD 1786 -1.534 1.388 0.513 + 126GLU OE1 1787 -1.632 1.318 0.544 + 126GLU OE2 1788 -1.546 1.502 0.455 + 126GLU C 1789 -1.130 1.204 0.561 + 126GLU O 1790 -1.061 1.308 0.571 + 127PHE N 1791 -1.112 1.117 0.462 + 127PHE HN 1792 -1.173 1.036 0.457 + 127PHE CA 1793 -1.013 1.128 0.359 + 127PHE HA 1794 -0.971 1.228 0.358 + 127PHE CB 1795 -0.901 1.023 0.382 + 127PHE HB1 1796 -0.941 0.920 0.373 + 127PHE HB2 1797 -0.861 1.035 0.484 + 127PHE CG 1798 -0.787 1.040 0.284 + 127PHE CD1 1799 -0.680 1.125 0.315 + 127PHE HD1 1800 -0.680 1.179 0.408 + 127PHE CE1 1801 -0.571 1.137 0.228 + 127PHE HE1 1802 -0.487 1.201 0.254 + 127PHE CZ 1803 -0.569 1.064 0.109 + 127PHE HZ 1804 -0.484 1.072 0.041 + 127PHE CD2 1805 -0.784 0.967 0.164 + 127PHE HD2 1806 -0.865 0.900 0.140 + 127PHE CE2 1807 -0.676 0.981 0.076 + 127PHE HE2 1808 -0.674 0.924 -0.016 + 127PHE C 1809 -1.085 1.107 0.226 + 127PHE O 1810 -1.158 1.012 0.208 + 128SER N 1811 -1.065 1.203 0.133 + 128SER HN 1812 -1.002 1.278 0.151 + 128SER CA 1813 -1.126 1.202 0.002 + 128SER HA 1814 -1.181 1.111 -0.015 + 128SER CB 1815 -1.222 1.324 -0.017 + 128SER HB1 1816 -1.167 1.417 0.011 + 128SER HB2 1817 -1.306 1.312 0.055 + 128SER OG 1818 -1.276 1.339 -0.149 + 128SER HG1 1819 -1.201 1.344 -0.211 + 128SER C 1820 -1.016 1.210 -0.101 + 128SER O 1821 -0.917 1.281 -0.082 + 129PHE N 1822 -1.031 1.138 -0.213 + 129PHE HN 1823 -1.108 1.075 -0.226 + 129PHE CA 1824 -0.937 1.147 -0.323 + 129PHE HA 1825 -0.909 1.250 -0.336 + 129PHE CB 1826 -0.808 1.061 -0.302 + 129PHE HB1 1827 -0.759 1.091 -0.207 + 129PHE HB2 1828 -0.737 1.081 -0.385 + 129PHE CG 1829 -0.835 0.912 -0.295 + 129PHE CD1 1830 -0.896 0.856 -0.182 + 129PHE HD1 1831 -0.923 0.919 -0.099 + 129PHE CE1 1832 -0.926 0.719 -0.178 + 129PHE HE1 1833 -0.978 0.678 -0.093 + 129PHE CZ 1834 -0.893 0.637 -0.286 + 129PHE HZ 1835 -0.920 0.533 -0.285 + 129PHE CD2 1836 -0.798 0.828 -0.402 + 129PHE HD2 1837 -0.749 0.869 -0.489 + 129PHE CE2 1838 -0.827 0.691 -0.397 + 129PHE HE2 1839 -0.800 0.626 -0.479 + 129PHE C 1840 -1.013 1.106 -0.448 + 129PHE O 1841 -1.112 1.034 -0.443 + 130ASP N 1842 -0.967 1.156 -0.565 + 130ASP HN 1843 -0.887 1.215 -0.567 + 130ASP CA 1844 -1.013 1.111 -0.694 + 130ASP HA 1845 -1.109 1.062 -0.684 + 130ASP CB 1846 -1.020 1.224 -0.802 + 130ASP HB1 1847 -1.050 1.178 -0.897 + 130ASP HB2 1848 -0.919 1.269 -0.812 + 130ASP CG 1849 -1.119 1.337 -0.778 + 130ASP OD1 1850 -1.200 1.337 -0.685 + 130ASP OD2 1851 -1.115 1.430 -0.867 + 130ASP C 1852 -0.913 1.006 -0.744 + 130ASP O 1853 -0.792 1.014 -0.717 + 131VAL N 1854 -0.959 0.907 -0.821 + 131VAL HN 1855 -1.057 0.897 -0.839 + 131VAL CA 1856 -0.872 0.802 -0.872 + 131VAL HA 1857 -0.773 0.844 -0.888 + 131VAL CB 1858 -0.857 0.686 -0.773 + 131VAL HB 1859 -0.826 0.731 -0.676 + 131VAL CG1 1860 -0.992 0.614 -0.750 + 131VAL HG11 1861 -1.026 0.561 -0.841 + 131VAL HG12 1862 -1.071 0.685 -0.717 + 131VAL HG13 1863 -0.980 0.538 -0.669 + 131VAL CG2 1864 -0.746 0.589 -0.816 + 131VAL HG21 1865 -0.650 0.643 -0.830 + 131VAL HG22 1866 -0.771 0.537 -0.911 + 131VAL HG23 1867 -0.731 0.512 -0.738 + 131VAL C 1868 -0.922 0.758 -1.008 + 131VAL O 1869 -1.041 0.757 -1.036 + 132ASP N 1870 -0.828 0.726 -1.099 + 132ASP HN 1871 -0.731 0.732 -1.073 + 132ASP CA 1872 -0.854 0.670 -1.230 + 132ASP HA 1873 -0.960 0.655 -1.244 + 132ASP CB 1874 -0.798 0.762 -1.342 + 132ASP HB1 1875 -0.689 0.775 -1.325 + 132ASP HB2 1876 -0.845 0.862 -1.335 + 132ASP CG 1877 -0.816 0.710 -1.485 + 132ASP OD1 1878 -0.901 0.623 -1.511 + 132ASP OD2 1879 -0.744 0.765 -1.574 + 132ASP C 1880 -0.786 0.534 -1.230 + 132ASP O 1881 -0.664 0.523 -1.213 + 133VAL N 1882 -0.866 0.427 -1.246 + 133VAL HN 1883 -0.964 0.439 -1.258 + 133VAL CA 1884 -0.819 0.289 -1.240 + 133VAL HA 1885 -0.713 0.286 -1.220 + 133VAL CB 1886 -0.892 0.210 -1.131 + 133VAL HB 1887 -0.859 0.103 -1.134 + 133VAL CG1 1888 -0.854 0.266 -0.992 + 133VAL HG11 1889 -0.893 0.368 -0.979 + 133VAL HG12 1890 -0.744 0.267 -0.980 + 133VAL HG13 1891 -0.897 0.201 -0.913 + 133VAL CG2 1892 -1.045 0.214 -1.153 + 133VAL HG21 1893 -1.072 0.175 -1.252 + 133VAL HG22 1894 -1.085 0.317 -1.141 + 133VAL HG23 1895 -1.094 0.151 -1.077 + 133VAL C 1896 -0.841 0.223 -1.375 + 133VAL O 1897 -0.827 0.101 -1.390 + 134SER N 1898 -0.873 0.301 -1.479 + 134SER HN 1899 -0.879 0.401 -1.466 + 134SER CA 1900 -0.916 0.251 -1.609 + 134SER HA 1901 -0.998 0.182 -1.590 + 134SER CB 1902 -0.968 0.363 -1.703 + 134SER HB1 1903 -1.054 0.412 -1.652 + 134SER HB2 1904 -1.006 0.317 -1.797 + 134SER OG 1905 -0.871 0.463 -1.734 + 134SER HG1 1906 -0.866 0.522 -1.655 + 134SER C 1907 -0.811 0.170 -1.683 + 134SER O 1908 -0.844 0.081 -1.763 + 135GLN N 1909 -0.683 0.200 -1.659 + 135GLN HN 1910 -0.662 0.271 -1.592 + 135GLN CA 1911 -0.570 0.137 -1.724 + 135GLN HA 1912 -0.603 0.093 -1.818 + 135GLN CB 1913 -0.459 0.242 -1.752 + 135GLN HB1 1914 -0.376 0.192 -1.807 + 135GLN HB2 1915 -0.419 0.279 -1.656 + 135GLN CG 1916 -0.504 0.364 -1.835 + 135GLN HG1 1917 -0.416 0.426 -1.861 + 135GLN HG2 1918 -0.572 0.427 -1.774 + 135GLN CD 1919 -0.573 0.324 -1.967 + 135GLN OE1 1920 -0.513 0.266 -2.057 + 135GLN NE2 1921 -0.703 0.360 -1.979 + 135GLN HE21 1922 -0.750 0.399 -1.901 + 135GLN HE22 1923 -0.748 0.329 -2.063 + 135GLN C 1924 -0.513 0.023 -1.641 + 135GLN O 1925 -0.406 -0.027 -1.671 + 136LEU N 1926 -0.585 -0.022 -1.536 + 136LEU HN 1927 -0.672 0.021 -1.510 + 136LEU CA 1928 -0.544 -0.134 -1.454 + 136LEU HA 1929 -0.440 -0.157 -1.471 + 136LEU CB 1930 -0.558 -0.102 -1.302 + 136LEU HB1 1931 -0.525 -0.191 -1.243 + 136LEU HB2 1932 -0.666 -0.083 -1.279 + 136LEU CG 1933 -0.479 0.020 -1.252 + 136LEU HG 1934 -0.510 0.110 -1.309 + 136LEU CD1 1935 -0.511 0.044 -1.104 + 136LEU HD11 1936 -0.481 -0.045 -1.043 + 136LEU HD12 1937 -0.620 0.060 -1.089 + 136LEU HD13 1938 -0.457 0.132 -1.065 + 136LEU CD2 1939 -0.327 0.001 -1.271 + 136LEU HD21 1940 -0.302 -0.006 -1.379 + 136LEU HD22 1941 -0.293 -0.091 -1.220 + 136LEU HD23 1942 -0.273 0.088 -1.229 + 136LEU C 1943 -0.631 -0.255 -1.485 + 136LEU O 1944 -0.750 -0.257 -1.450 + 137PRO N 1945 -0.582 -0.360 -1.550 + 137PRO CD 1946 -0.456 -0.361 -1.625 + 137PRO HD1 1947 -0.369 -0.345 -1.558 + 137PRO HD2 1948 -0.459 -0.283 -1.704 + 137PRO CA 1949 -0.660 -0.482 -1.571 + 137PRO HA 1950 -0.766 -0.461 -1.579 + 137PRO CB 1951 -0.597 -0.537 -1.700 + 137PRO HB1 1952 -0.640 -0.484 -1.787 + 137PRO HB2 1953 -0.612 -0.646 -1.716 + 137PRO CG 1954 -0.449 -0.500 -1.689 + 137PRO HG1 1955 -0.397 -0.570 -1.620 + 137PRO HG2 1956 -0.397 -0.500 -1.787 + 137PRO C 1957 -0.638 -0.576 -1.453 + 137PRO O 1958 -0.587 -0.535 -1.350 + 138CYS N 1959 -0.676 -0.705 -1.470 + 138CYS HN 1960 -0.717 -0.734 -1.554 + 138CYS CA 1961 -0.653 -0.811 -1.373 + 138CYS HA 1962 -0.704 -0.785 -1.281 + 138CYS CB 1963 -0.705 -0.947 -1.427 + 138CYS HB1 1964 -0.687 -1.026 -1.350 + 138CYS HB2 1965 -0.646 -0.974 -1.518 + 138CYS SG 1966 -0.881 -0.947 -1.471 + 138CYS C 1967 -0.506 -0.832 -1.341 + 138CYS O 1968 -0.421 -0.831 -1.431 + 139GLY N 1969 -0.474 -0.854 -1.212 + 139GLY HN 1970 -0.549 -0.860 -1.144 + 139GLY CA 1971 -0.339 -0.885 -1.167 + 139GLY HA1 1972 -0.281 -0.924 -1.249 + 139GLY HA2 1973 -0.347 -0.956 -1.086 + 139GLY C 1974 -0.260 -0.767 -1.117 + 139GLY O 1975 -0.150 -0.782 -1.067 + 140LEU N 1976 -0.317 -0.646 -1.130 + 140LEU HN 1977 -0.408 -0.640 -1.170 + 140LEU CA 1978 -0.255 -0.523 -1.088 + 140LEU HA 1979 -0.155 -0.542 -1.051 + 140LEU CB 1980 -0.248 -0.416 -1.201 + 140LEU HB1 1981 -0.231 -0.315 -1.155 + 140LEU HB2 1982 -0.344 -0.412 -1.255 + 140LEU CG 1983 -0.131 -0.433 -1.301 + 140LEU HG 1984 -0.037 -0.448 -1.241 + 140LEU CD1 1985 -0.146 -0.555 -1.393 + 140LEU HD11 1986 -0.243 -0.551 -1.448 + 140LEU HD12 1987 -0.142 -0.649 -1.335 + 140LEU HD13 1988 -0.063 -0.557 -1.467 + 140LEU CD2 1989 -0.113 -0.305 -1.383 + 140LEU HD21 1990 -0.085 -0.220 -1.317 + 140LEU HD22 1991 -0.207 -0.279 -1.436 + 140LEU HD23 1992 -0.033 -0.319 -1.458 + 140LEU C 1993 -0.333 -0.466 -0.973 + 140LEU O 1994 -0.452 -0.495 -0.955 + 141ASN N 1995 -0.268 -0.383 -0.891 + 141ASN HN 1996 -0.169 -0.366 -0.903 + 141ASN CA 1997 -0.331 -0.316 -0.780 + 141ASN HA 1998 -0.437 -0.302 -0.801 + 141ASN CB 1999 -0.315 -0.403 -0.653 + 141ASN HB1 2000 -0.207 -0.424 -0.635 + 141ASN HB2 2001 -0.367 -0.499 -0.673 + 141ASN CG 2002 -0.376 -0.344 -0.526 + 141ASN OD1 2003 -0.436 -0.236 -0.525 + 141ASN ND2 2004 -0.361 -0.418 -0.414 + 141ASN HD21 2005 -0.395 -0.381 -0.328 + 141ASN HD22 2006 -0.310 -0.504 -0.419 + 141ASN C 2007 -0.268 -0.178 -0.771 + 141ASN O 2008 -0.149 -0.163 -0.752 + 142GLY N 2009 -0.352 -0.074 -0.789 + 142GLY HN 2010 -0.449 -0.091 -0.806 + 142GLY CA 2011 -0.316 0.063 -0.755 + 142GLY HA1 2012 -0.363 0.128 -0.826 + 142GLY HA2 2013 -0.208 0.075 -0.749 + 142GLY C 2014 -0.375 0.091 -0.621 + 142GLY O 2015 -0.496 0.102 -0.607 + 143ALA N 2016 -0.289 0.106 -0.519 + 143ALA HN 2017 -0.191 0.105 -0.533 + 143ALA CA 2018 -0.333 0.113 -0.381 + 143ALA HA 2019 -0.440 0.098 -0.376 + 143ALA CB 2020 -0.266 0.004 -0.296 + 143ALA HB1 2021 -0.156 0.015 -0.295 + 143ALA HB2 2022 -0.290 -0.097 -0.338 + 143ALA HB3 2023 -0.303 0.006 -0.191 + 143ALA C 2024 -0.303 0.249 -0.323 + 143ALA O 2025 -0.207 0.319 -0.360 + 144LEU N 2026 -0.389 0.292 -0.229 + 144LEU HN 2027 -0.462 0.230 -0.199 + 144LEU CA 2028 -0.369 0.411 -0.151 + 144LEU HA 2029 -0.264 0.439 -0.153 + 144LEU CB 2030 -0.457 0.530 -0.200 + 144LEU HB1 2031 -0.564 0.501 -0.199 + 144LEU HB2 2032 -0.428 0.547 -0.306 + 144LEU CG 2033 -0.438 0.663 -0.123 + 144LEU HG 2034 -0.331 0.669 -0.093 + 144LEU CD1 2035 -0.469 0.782 -0.215 + 144LEU HD11 2036 -0.575 0.779 -0.246 + 144LEU HD12 2037 -0.406 0.779 -0.306 + 144LEU HD13 2038 -0.449 0.878 -0.162 + 144LEU CD2 2039 -0.526 0.673 0.003 + 144LEU HD21 2040 -0.504 0.592 0.076 + 144LEU HD22 2041 -0.634 0.666 -0.024 + 144LEU HD23 2042 -0.508 0.769 0.055 + 144LEU C 2043 -0.403 0.371 -0.010 + 144LEU O 2044 -0.511 0.318 0.016 + 145TYR N 2045 -0.312 0.394 0.085 + 145TYR HN 2046 -0.225 0.441 0.066 + 145TYR CA 2047 -0.326 0.335 0.215 + 145TYR HA 2048 -0.428 0.346 0.248 + 145TYR CB 2049 -0.293 0.182 0.214 + 145TYR HB1 2050 -0.360 0.131 0.142 + 145TYR HB2 2051 -0.312 0.135 0.313 + 145TYR CG 2052 -0.152 0.149 0.174 + 145TYR CD1 2053 -0.112 0.154 0.040 + 145TYR HD1 2054 -0.182 0.185 -0.036 + 145TYR CE1 2055 0.017 0.114 0.002 + 145TYR HE1 2056 0.047 0.119 -0.101 + 145TYR CZ 2057 0.105 0.063 0.099 + 145TYR OH 2058 0.232 0.016 0.063 + 145TYR HH 2059 0.264 -0.035 0.140 + 145TYR CD2 2060 -0.063 0.098 0.270 + 145TYR HD2 2061 -0.096 0.084 0.372 + 145TYR CE2 2062 0.065 0.055 0.233 + 145TYR HE2 2063 0.130 0.012 0.308 + 145TYR C 2064 -0.243 0.413 0.314 + 145TYR O 2065 -0.169 0.504 0.279 + 146PHE N 2066 -0.261 0.383 0.444 + 146PHE HN 2067 -0.322 0.307 0.468 + 146PHE CA 2068 -0.187 0.444 0.551 + 146PHE HA 2069 -0.107 0.505 0.511 + 146PHE CB 2070 -0.276 0.528 0.646 + 146PHE HB1 2071 -0.218 0.562 0.734 + 146PHE HB2 2072 -0.361 0.467 0.683 + 146PHE CG 2073 -0.330 0.650 0.579 + 146PHE CD1 2074 -0.261 0.772 0.591 + 146PHE HD1 2075 -0.167 0.775 0.644 + 146PHE CE1 2076 -0.313 0.889 0.535 + 146PHE HE1 2077 -0.258 0.980 0.542 + 146PHE CZ 2078 -0.435 0.886 0.468 + 146PHE HZ 2079 -0.475 0.976 0.424 + 146PHE CD2 2080 -0.454 0.648 0.512 + 146PHE HD2 2081 -0.507 0.555 0.505 + 146PHE CE2 2082 -0.506 0.765 0.456 + 146PHE HE2 2083 -0.601 0.763 0.405 + 146PHE C 2084 -0.123 0.336 0.635 + 146PHE O 2085 -0.179 0.229 0.653 + 147VAL N 2086 -0.005 0.365 0.693 + 147VAL HN 2087 0.040 0.452 0.676 + 147VAL CA 2088 0.066 0.272 0.779 + 147VAL HA 2089 -0.003 0.201 0.822 + 147VAL CB 2090 0.176 0.193 0.707 + 147VAL HB 2091 0.238 0.137 0.781 + 147VAL CG1 2092 0.114 0.087 0.615 + 147VAL HG11 2093 0.056 0.134 0.533 + 147VAL HG12 2094 0.046 0.020 0.671 + 147VAL HG13 2095 0.193 0.024 0.568 + 147VAL CG2 2096 0.267 0.287 0.627 + 147VAL HG21 2097 0.314 0.364 0.692 + 147VAL HG22 2098 0.209 0.339 0.548 + 147VAL HG23 2099 0.348 0.229 0.578 + 147VAL C 2100 0.127 0.350 0.893 + 147VAL O 2101 0.162 0.467 0.880 + 148SER N 2102 0.138 0.289 1.013 + 148SER HN 2103 0.105 0.194 1.022 + 148SER CA 2104 0.196 0.354 1.129 + 148SER HA 2105 0.168 0.458 1.128 + 148SER CB 2106 0.146 0.296 1.264 + 148SER HB1 2107 0.202 0.340 1.349 + 148SER HB2 2108 0.163 0.185 1.264 + 148SER OG 2109 0.007 0.322 1.285 + 148SER HG1 2110 -0.004 0.417 1.279 + 148SER C 2111 0.349 0.352 1.130 + 148SER O 2112 0.412 0.289 1.214 + 149MET N 2113 0.410 0.427 1.036 + 149MET HN 2114 0.354 0.478 0.971 + 149MET CA 2115 0.553 0.449 1.028 + 149MET HA 2116 0.603 0.359 1.059 + 149MET CB 2117 0.598 0.483 0.883 + 149MET HB1 2118 0.705 0.515 0.883 + 149MET HB2 2119 0.537 0.568 0.846 + 149MET CG 2120 0.588 0.365 0.785 + 149MET HG1 2121 0.492 0.311 0.804 + 149MET HG2 2122 0.669 0.292 0.807 + 149MET SD 2123 0.593 0.413 0.609 + 149MET CE 2124 0.757 0.488 0.603 + 149MET HE1 2125 0.836 0.416 0.634 + 149MET HE2 2126 0.763 0.576 0.671 + 149MET HE3 2127 0.781 0.524 0.501 + 149MET C 2128 0.598 0.559 1.122 + 149MET O 2129 0.518 0.635 1.177 + 150ASP N 2130 0.730 0.570 1.145 + 150ASP HN 2131 0.795 0.505 1.105 + 150ASP CA 2132 0.787 0.682 1.216 + 150ASP HA 2133 0.716 0.717 1.290 + 150ASP CB 2134 0.919 0.641 1.287 + 150ASP HB1 2135 0.960 0.728 1.342 + 150ASP HB2 2136 0.994 0.611 1.211 + 150ASP CG 2137 0.907 0.526 1.388 + 150ASP OD1 2138 0.806 0.517 1.464 + 150ASP OD2 2139 1.005 0.452 1.405 + 150ASP C 2140 0.814 0.796 1.117 + 150ASP O 2141 0.862 0.774 1.005 + 151ALA N 2142 0.788 0.923 1.156 + 151ALA HN 2143 0.743 0.936 1.243 + 151ALA CA 2144 0.794 1.041 1.070 + 151ALA HA 2145 0.721 1.026 0.991 + 151ALA CB 2146 0.755 1.168 1.150 + 151ALA HB1 2147 0.831 1.190 1.228 + 151ALA HB2 2148 0.657 1.152 1.198 + 151ALA HB3 2149 0.747 1.255 1.081 + 151ALA C 2150 0.929 1.068 1.006 + 151ALA O 2151 0.939 1.123 0.896 + 152ASP N 2152 1.038 1.033 1.076 + 152ASP HN 2153 1.030 0.984 1.163 + 152ASP CA 2154 1.173 1.060 1.034 + 152ASP HA 2155 1.173 1.142 0.964 + 152ASP CB 2156 1.259 1.099 1.159 + 152ASP HB1 2157 1.211 1.186 1.208 + 152ASP HB2 2158 1.361 1.128 1.125 + 152ASP CG 2159 1.277 0.990 1.264 + 152ASP OD1 2160 1.211 0.884 1.253 + 152ASP OD2 2161 1.358 1.010 1.359 + 152ASP C 2162 1.232 0.940 0.959 + 152ASP O 2163 1.344 0.946 0.909 + 153GLY N 2164 1.156 0.830 0.946 + 153GLY HN 2165 1.062 0.829 0.984 + 153GLY CA 2166 1.200 0.707 0.881 + 153GLY HA1 2167 1.263 0.732 0.797 + 153GLY HA2 2168 1.111 0.652 0.852 + 153GLY C 2169 1.279 0.618 0.973 + 153GLY O 2170 1.339 0.521 0.929 + 154GLY N 2171 1.279 0.649 1.104 + 154GLY HN 2172 1.233 0.733 1.137 + 154GLY CA 2173 1.341 0.567 1.208 + 154GLY HA1 2174 1.348 0.464 1.175 + 154GLY HA2 2175 1.279 0.577 1.296 + 154GLY C 2176 1.480 0.611 1.247 + 154GLY O 2177 1.553 0.539 1.312 + 155VAL N 2178 1.521 0.733 1.206 + 155VAL HN 2179 1.457 0.791 1.156 + 155VAL CA 2180 1.653 0.789 1.234 + 155VAL HA 2181 1.728 0.719 1.198 + 155VAL CB 2182 1.674 0.923 1.163 + 155VAL HB 2183 1.593 0.993 1.193 + 155VAL CG1 2184 1.811 0.986 1.196 + 155VAL HG11 2185 1.893 0.915 1.170 + 155VAL HG12 2186 1.821 1.012 1.303 + 155VAL HG13 2187 1.826 1.079 1.136 + 155VAL CG2 2188 1.665 0.899 1.011 + 155VAL HG21 2189 1.566 0.858 0.983 + 155VAL HG22 2190 1.744 0.828 0.979 + 155VAL HG23 2191 1.679 0.995 0.956 + 155VAL C 2192 1.681 0.805 1.383 + 155VAL O 2193 1.786 0.771 1.434 + 156SER N 2194 1.582 0.859 1.458 + 156SER HN 2195 1.497 0.891 1.415 + 156SER CA 2196 1.592 0.876 1.602 + 156SER HA 2197 1.682 0.934 1.621 + 156SER CB 2198 1.471 0.954 1.659 + 156SER HB1 2199 1.472 1.057 1.615 + 156SER HB2 2200 1.479 0.965 1.770 + 156SER OG 2201 1.346 0.894 1.624 + 156SER HG1 2202 1.329 0.917 1.531 + 156SER C 2203 1.610 0.748 1.684 + 156SER O 2204 1.691 0.742 1.775 + 157LYS N 2205 1.532 0.643 1.650 + 157LYS HN 2206 1.466 0.654 1.577 + 157LYS CA 2207 1.538 0.513 1.714 + 157LYS HA 2208 1.539 0.528 1.822 + 157LYS CB 2209 1.414 0.428 1.676 + 157LYS HB1 2210 1.424 0.326 1.719 + 157LYS HB2 2211 1.410 0.419 1.565 + 157LYS CG 2212 1.281 0.485 1.725 + 157LYS HG1 2213 1.266 0.588 1.685 + 157LYS HG2 2214 1.282 0.493 1.837 + 157LYS CD 2215 1.163 0.398 1.681 + 157LYS HD1 2216 1.178 0.294 1.720 + 157LYS HD2 2217 1.165 0.392 1.570 + 157LYS CE 2218 1.027 0.451 1.727 + 157LYS HE1 2219 1.011 0.555 1.689 + 157LYS HE2 2220 1.020 0.452 1.838 + 157LYS NZ 2221 0.918 0.368 1.673 + 157LYS HZ1 2222 0.932 0.268 1.700 + 157LYS HZ2 2223 0.918 0.381 1.568 + 157LYS HZ3 2224 0.827 0.403 1.708 + 157LYS C 2225 1.663 0.433 1.681 + 157LYS O 2226 1.719 0.361 1.763 + 158TYR N 2227 1.708 0.447 1.554 + 158TYR HN 2228 1.663 0.509 1.490 + 158TYR CA 2229 1.814 0.365 1.498 + 158TYR HA 2230 1.856 0.301 1.574 + 158TYR CB 2231 1.758 0.273 1.385 + 158TYR HB1 2232 1.833 0.198 1.356 + 158TYR HB2 2233 1.732 0.334 1.295 + 158TYR CG 2234 1.631 0.203 1.430 + 158TYR CD1 2235 1.633 0.119 1.542 + 158TYR HD1 2236 1.725 0.101 1.594 + 158TYR CE1 2237 1.513 0.064 1.592 + 158TYR HE1 2238 1.515 0.003 1.681 + 158TYR CZ 2239 1.391 0.090 1.528 + 158TYR OH 2240 1.270 0.038 1.577 + 158TYR HH 2241 1.203 0.052 1.507 + 158TYR CD2 2242 1.509 0.225 1.364 + 158TYR HD2 2243 1.506 0.289 1.277 + 158TYR CE2 2244 1.390 0.170 1.413 + 158TYR HE2 2245 1.296 0.191 1.363 + 158TYR C 2246 1.923 0.455 1.443 + 158TYR O 2247 1.912 0.499 1.324 + 159PRO N 2248 2.033 0.484 1.511 + 159PRO CD 2249 2.044 0.459 1.656 + 159PRO HD1 2250 2.097 0.362 1.670 + 159PRO HD2 2251 1.946 0.457 1.708 + 159PRO CA 2252 2.126 0.589 1.469 + 159PRO HA 2253 2.069 0.677 1.444 + 159PRO CB 2254 2.218 0.608 1.591 + 159PRO HB1 2255 2.259 0.711 1.595 + 159PRO HB2 2256 2.302 0.535 1.589 + 159PRO CG 2257 2.126 0.576 1.709 + 159PRO HG1 2258 2.179 0.554 1.803 + 159PRO HG2 2259 2.058 0.663 1.726 + 159PRO C 2260 2.211 0.552 1.349 + 159PRO O 2261 2.278 0.639 1.292 + 160THR N 2262 2.215 0.423 1.311 + 160THR HN 2263 2.163 0.354 1.360 + 160THR CA 2264 2.288 0.373 1.195 + 160THR HA 2265 2.382 0.426 1.188 + 160THR CB 2266 2.316 0.224 1.203 + 160THR HB 2267 2.342 0.180 1.104 + 160THR OG1 2268 2.206 0.154 1.260 + 160THR HG1 2269 2.169 0.101 1.187 + 160THR CG2 2270 2.437 0.202 1.296 + 160THR HG21 2271 2.414 0.237 1.399 + 160THR HG22 2272 2.525 0.257 1.258 + 160THR HG23 2273 2.462 0.094 1.301 + 160THR C 2274 2.213 0.402 1.066 + 160THR O 2275 2.270 0.402 0.957 + 161ASN N 2276 2.083 0.435 1.078 + 161ASN HN 2277 2.040 0.440 1.168 + 161ASN CA 2278 2.007 0.493 0.971 + 161ASN HA 2279 2.041 0.453 0.876 + 161ASN CB 2280 1.856 0.461 0.990 + 161ASN HB1 2281 1.820 0.507 1.085 + 161ASN HB2 2282 1.843 0.352 0.998 + 161ASN CG 2283 1.772 0.511 0.874 + 161ASN OD1 2284 1.823 0.550 0.768 + 161ASN ND2 2285 1.638 0.514 0.894 + 161ASN HD21 2286 1.579 0.535 0.817 + 161ASN HD22 2287 1.600 0.491 0.984 + 161ASN C 2288 2.030 0.643 0.972 + 161ASN O 2289 1.990 0.714 1.064 + 162THR N 2290 2.097 0.696 0.869 + 162THR HN 2291 2.135 0.637 0.799 + 162THR CA 2292 2.121 0.839 0.853 + 162THR HA 2293 2.068 0.894 0.930 + 162THR CB 2294 2.269 0.878 0.862 + 162THR HB 2295 2.281 0.988 0.841 + 162THR OG1 2296 2.352 0.804 0.773 + 162THR HG1 2297 2.430 0.860 0.765 + 162THR CG2 2298 2.319 0.850 1.004 + 162THR HG21 2299 2.313 0.742 1.028 + 162THR HG22 2300 2.257 0.905 1.078 + 162THR HG23 2301 2.424 0.883 1.015 + 162THR C 2302 2.064 0.885 0.722 + 162THR O 2303 2.096 0.993 0.672 + 163ALA N 2304 1.977 0.803 0.661 + 163ALA HN 2305 1.947 0.718 0.706 + 163ALA CA 2306 1.917 0.832 0.533 + 163ALA HA 2307 1.972 0.910 0.482 + 163ALA CB 2308 1.919 0.703 0.449 + 163ALA HB1 2309 1.849 0.627 0.490 + 163ALA HB2 2310 2.021 0.660 0.447 + 163ALA HB3 2311 1.890 0.725 0.344 + 163ALA C 2312 1.775 0.881 0.553 + 163ALA O 2313 1.730 0.977 0.487 + 164GLY N 2314 1.703 0.821 0.649 + 164GLY HN 2315 1.741 0.740 0.695 + 164GLY CA 2316 1.570 0.860 0.691 + 164GLY HA1 2317 1.579 0.959 0.734 + 164GLY HA2 2318 1.535 0.787 0.762 + 164GLY C 2319 1.464 0.870 0.585 + 164GLY O 2320 1.470 0.806 0.478 + 165ALA N 2321 1.362 0.952 0.612 + 165ALA HN 2322 1.359 0.997 0.701 + 165ALA CA 2323 1.245 0.971 0.528 + 165ALA HA 2324 1.198 0.874 0.516 + 165ALA CB 2325 1.148 1.068 0.597 + 165ALA HB1 2326 1.194 1.168 0.608 + 165ALA HB2 2327 1.120 1.029 0.697 + 165ALA HB3 2328 1.054 1.077 0.538 + 165ALA C 2329 1.278 1.020 0.387 + 165ALA O 2330 1.210 0.985 0.290 + 166LYS N 2331 1.387 1.098 0.373 + 166LYS HN 2332 1.443 1.115 0.453 + 166LYS CA 2333 1.437 1.151 0.246 + 166LYS HA 2334 1.357 1.207 0.200 + 166LYS CB 2335 1.559 1.244 0.272 + 166LYS HB1 2336 1.640 1.185 0.320 + 166LYS HB2 2337 1.526 1.322 0.344 + 166LYS CG 2338 1.611 1.313 0.144 + 166LYS HG1 2339 1.523 1.354 0.090 + 166LYS HG2 2340 1.657 1.236 0.077 + 166LYS CD 2341 1.713 1.425 0.170 + 166LYS HD1 2342 1.804 1.380 0.218 + 166LYS HD2 2343 1.667 1.497 0.242 + 166LYS CE 2344 1.754 1.499 0.041 + 166LYS HE1 2345 1.663 1.546 -0.004 + 166LYS HE2 2346 1.797 1.428 -0.032 + 166LYS NZ 2347 1.854 1.606 0.066 + 166LYS HZ1 2348 1.942 1.567 0.106 + 166LYS HZ2 2349 1.818 1.677 0.133 + 166LYS HZ3 2350 1.878 1.656 -0.023 + 166LYS C 2351 1.475 1.042 0.147 + 166LYS O 2352 1.467 1.059 0.025 + 167TYR N 2353 1.520 0.925 0.195 + 167TYR HN 2354 1.526 0.910 0.294 + 167TYR CA 2355 1.554 0.814 0.109 + 167TYR HA 2356 1.541 0.842 0.005 + 167TYR CB 2357 1.701 0.770 0.125 + 167TYR HB1 2358 1.722 0.676 0.069 + 167TYR HB2 2359 1.721 0.752 0.233 + 167TYR CG 2360 1.795 0.877 0.074 + 167TYR CD1 2361 1.851 0.867 -0.054 + 167TYR HD1 2362 1.828 0.783 -0.117 + 167TYR CE1 2363 1.937 0.967 -0.103 + 167TYR HE1 2364 1.980 0.958 -0.202 + 167TYR CZ 2365 1.966 1.079 -0.024 + 167TYR OH 2366 2.051 1.179 -0.075 + 167TYR HH 2367 2.094 1.142 -0.152 + 167TYR CD2 2368 1.829 0.988 0.153 + 167TYR HD2 2369 1.786 0.997 0.252 + 167TYR CE2 2370 1.913 1.089 0.105 + 167TYR HE2 2371 1.938 1.174 0.166 + 167TYR C 2372 1.457 0.699 0.127 + 167TYR O 2373 1.485 0.585 0.090 + 168GLY N 2374 1.336 0.727 0.182 + 168GLY HN 2375 1.316 0.820 0.213 + 168GLY CA 2376 1.225 0.633 0.184 + 168GLY HA1 2377 1.213 0.591 0.086 + 168GLY HA2 2378 1.137 0.687 0.216 + 168GLY C 2379 1.242 0.517 0.278 + 168GLY O 2380 1.198 0.406 0.248 + 169THR N 2381 1.310 0.537 0.392 + 169THR HN 2382 1.347 0.627 0.414 + 169THR CA 2383 1.336 0.429 0.487 + 169THR HA 2384 1.337 0.336 0.432 + 169THR CB 2385 1.470 0.440 0.561 + 169THR HB 2386 1.490 0.345 0.617 + 169THR OG1 2387 1.475 0.547 0.655 + 169THR HG1 2388 1.393 0.540 0.707 + 169THR CG2 2389 1.583 0.459 0.459 + 169THR HG21 2390 1.569 0.553 0.402 + 169THR HG22 2391 1.584 0.374 0.388 + 169THR HG23 2392 1.681 0.465 0.511 + 169THR C 2393 1.226 0.418 0.591 + 169THR O 2394 1.156 0.516 0.621 + 170GLY N 2395 1.214 0.300 0.654 + 170GLY HN 2396 1.261 0.219 0.617 + 170GLY CA 2397 1.136 0.282 0.775 + 170GLY HA1 2398 1.119 0.377 0.823 + 170GLY HA2 2399 1.191 0.213 0.839 + 170GLY C 2400 1.003 0.221 0.750 + 170GLY O 2401 0.918 0.221 0.839 + 171TYR N 2402 0.981 0.165 0.630 + 171TYR HN 2403 1.051 0.165 0.560 + 171TYR CA 2404 0.855 0.104 0.592 + 171TYR HA 2405 0.779 0.180 0.607 + 171TYR CB 2406 0.854 0.067 0.441 + 171TYR HB1 2407 0.935 -0.007 0.421 + 171TYR HB2 2408 0.876 0.158 0.381 + 171TYR CG 2409 0.722 0.011 0.394 + 171TYR CD1 2410 0.605 0.090 0.392 + 171TYR HD1 2411 0.610 0.192 0.426 + 171TYR CE1 2412 0.484 0.038 0.345 + 171TYR HE1 2413 0.395 0.098 0.345 + 171TYR CZ 2414 0.479 -0.094 0.299 + 171TYR OH 2415 0.360 -0.150 0.247 + 171TYR HH 2416 0.359 -0.244 0.274 + 171TYR CD2 2417 0.713 -0.122 0.350 + 171TYR HD2 2418 0.801 -0.184 0.352 + 171TYR CE2 2419 0.592 -0.175 0.303 + 171TYR HE2 2420 0.587 -0.277 0.269 + 171TYR C 2421 0.814 -0.013 0.683 + 171TYR O 2422 0.896 -0.086 0.738 + 172CYS N 2423 0.682 -0.028 0.702 + 172CYS HN 2424 0.614 0.031 0.658 + 172CYS CA 2425 0.626 -0.135 0.779 + 172CYS HA 2426 0.679 -0.227 0.756 + 172CYS CB 2427 0.632 -0.104 0.931 + 172CYS HB1 2428 0.739 -0.097 0.957 + 172CYS HB2 2429 0.589 -0.189 0.987 + 172CYS SG 2430 0.552 0.053 0.980 + 172CYS C 2431 0.485 -0.153 0.731 + 172CYS O 2432 0.425 -0.057 0.682 + 173ASP N 2433 0.430 -0.274 0.743 + 173ASP HN 2434 0.480 -0.351 0.784 + 173ASP CA 2435 0.294 -0.304 0.704 + 173ASP HA 2436 0.231 -0.225 0.745 + 173ASP CB 2437 0.273 -0.303 0.550 + 173ASP HB1 2438 0.316 -0.212 0.506 + 173ASP HB2 2439 0.163 -0.298 0.532 + 173ASP CG 2440 0.320 -0.423 0.469 + 173ASP OD1 2441 0.288 -0.540 0.510 + 173ASP OD2 2442 0.377 -0.402 0.361 + 173ASP C 2443 0.253 -0.430 0.777 + 173ASP O 2444 0.328 -0.486 0.857 + 174SER N 2445 0.128 -0.475 0.756 + 174SER HN 2446 0.071 -0.433 0.684 + 174SER CA 2447 0.067 -0.583 0.831 + 174SER HA 2448 0.097 -0.572 0.934 + 174SER CB 2449 -0.087 -0.572 0.827 + 174SER HB1 2450 -0.116 -0.469 0.859 + 174SER HB2 2451 -0.132 -0.643 0.898 + 174SER OG 2452 -0.140 -0.595 0.696 + 174SER HG1 2453 -0.128 -0.513 0.642 + 174SER C 2454 0.109 -0.723 0.788 + 174SER O 2455 0.090 -0.821 0.862 + 175GLN N 2456 0.176 -0.737 0.672 + 175GLN HN 2457 0.191 -0.658 0.610 + 175GLN CA 2458 0.241 -0.861 0.632 + 175GLN HA 2459 0.177 -0.945 0.658 + 175GLN CB 2460 0.277 -0.863 0.480 + 175GLN HB1 2461 0.323 -0.961 0.456 + 175GLN HB2 2462 0.352 -0.784 0.459 + 175GLN CG 2463 0.159 -0.839 0.385 + 175GLN HG1 2464 0.186 -0.865 0.281 + 175GLN HG2 2465 0.133 -0.731 0.387 + 175GLN CD 2466 0.039 -0.923 0.427 + 175GLN OE1 2467 0.048 -1.046 0.420 + 175GLN NE2 2468 -0.072 -0.857 0.469 + 175GLN HE21 2469 -0.072 -0.756 0.468 + 175GLN HE22 2470 -0.154 -0.905 0.497 + 175GLN C 2471 0.372 -0.878 0.704 + 175GLN O 2472 0.433 -0.985 0.703 + 176CYS N 2473 0.419 -0.768 0.765 + 176CYS HN 2474 0.362 -0.686 0.761 + 176CYS CA 2475 0.548 -0.755 0.827 + 176CYS HA 2476 0.554 -0.652 0.859 + 176CYS CB 2477 0.559 -0.840 0.956 + 176CYS HB1 2478 0.655 -0.817 1.005 + 176CYS HB2 2479 0.558 -0.948 0.929 + 176CYS SG 2480 0.421 -0.809 1.071 + 176CYS C 2481 0.665 -0.779 0.732 + 176CYS O 2482 0.749 -0.865 0.760 + 177PRO N 2483 0.674 -0.706 0.619 + 177PRO CD 2484 0.601 -0.582 0.595 + 177PRO HD1 2485 0.575 -0.526 0.687 + 177PRO HD2 2486 0.508 -0.609 0.540 + 177PRO CA 2487 0.758 -0.737 0.504 + 177PRO HA 2488 0.716 -0.825 0.458 + 177PRO CB 2489 0.745 -0.615 0.411 + 177PRO HB1 2490 0.666 -0.637 0.335 + 177PRO HB2 2491 0.838 -0.587 0.358 + 177PRO CG 2492 0.693 -0.504 0.503 + 177PRO HG1 2493 0.776 -0.461 0.562 + 177PRO HG2 2494 0.639 -0.424 0.448 + 177PRO C 2495 0.902 -0.772 0.535 + 177PRO O 2496 0.974 -0.696 0.599 + 178ARG N 2497 0.946 -0.889 0.484 + 178ARG HN 2498 0.883 -0.946 0.433 + 178ARG CA 2499 1.080 -0.940 0.504 + 178ARG HA 2500 1.128 -0.887 0.585 + 178ARG CB 2501 1.076 -1.092 0.535 + 178ARG HB1 2502 1.180 -1.132 0.539 + 178ARG HB2 2503 1.023 -1.142 0.452 + 178ARG CG 2504 1.006 -1.131 0.667 + 178ARG HG1 2505 0.910 -1.077 0.676 + 178ARG HG2 2506 1.069 -1.099 0.754 + 178ARG CD 2507 0.975 -1.281 0.679 + 178ARG HD1 2508 0.908 -1.312 0.595 + 178ARG HD2 2509 0.924 -1.303 0.776 + 178ARG NE 2510 1.100 -1.361 0.673 + 178ARG HE 2511 1.190 -1.312 0.662 + 178ARG CZ 2512 1.109 -1.491 0.679 + 178ARG NH1 2513 0.994 -1.568 0.691 + 178ARG HH11 2514 0.909 -1.521 0.691 + 178ARG HH12 2515 0.999 -1.666 0.693 + 178ARG NH2 2516 1.219 -1.553 0.675 + 178ARG HH21 2517 1.303 -1.494 0.659 + 178ARG HH22 2518 1.223 -1.651 0.683 + 178ARG C 2519 1.164 -0.921 0.379 + 178ARG O 2520 1.278 -0.964 0.373 + 179ASP N 2521 1.110 -0.853 0.275 + 179ASP HN 2522 1.018 -0.814 0.278 + 179ASP CA 2523 1.181 -0.830 0.152 + 179ASP HA 2524 1.256 -0.906 0.138 + 179ASP CB 2525 1.082 -0.839 0.030 + 179ASP HB1 2526 1.031 -0.937 0.032 + 179ASP HB2 2527 1.142 -0.833 -0.063 + 179ASP CG 2528 0.976 -0.730 0.023 + 179ASP OD1 2529 0.964 -0.647 0.115 + 179ASP OD2 2530 0.901 -0.729 -0.080 + 179ASP C 2531 1.254 -0.696 0.157 + 179ASP O 2532 1.333 -0.661 0.070 + 180LEU N 2533 1.230 -0.617 0.264 + 180LEU HN 2534 1.159 -0.644 0.329 + 180LEU CA 2535 1.297 -0.492 0.288 + 180LEU HA 2536 1.285 -0.433 0.198 + 180LEU CB 2537 1.237 -0.411 0.405 + 180LEU HB1 2538 1.284 -0.310 0.408 + 180LEU HB2 2539 1.260 -0.462 0.501 + 180LEU CG 2540 1.084 -0.392 0.398 + 180LEU HG 2541 1.037 -0.493 0.406 + 180LEU CD1 2542 1.036 -0.309 0.518 + 180LEU HD11 2543 1.082 -0.208 0.518 + 180LEU HD12 2544 1.064 -0.360 0.613 + 180LEU HD13 2545 0.926 -0.298 0.516 + 180LEU CD2 2546 1.038 -0.329 0.266 + 180LEU HD21 2547 1.071 -0.391 0.179 + 180LEU HD22 2548 1.078 -0.226 0.255 + 180LEU HD23 2549 0.927 -0.326 0.262 + 180LEU C 2550 1.446 -0.511 0.309 + 180LEU O 2551 1.492 -0.593 0.387 + 181LYS N 2552 1.526 -0.432 0.235 + 181LYS HN 2553 1.486 -0.368 0.170 + 181LYS CA 2554 1.669 -0.448 0.238 + 181LYS HA 2555 1.691 -0.554 0.248 + 181LYS CB 2556 1.729 -0.403 0.103 + 181LYS HB1 2557 1.838 -0.386 0.111 + 181LYS HB2 2558 1.681 -0.306 0.076 + 181LYS CG 2559 1.704 -0.507 -0.007 + 181LYS HG1 2560 1.596 -0.532 -0.013 + 181LYS HG2 2561 1.757 -0.602 0.021 + 181LYS CD 2562 1.753 -0.464 -0.146 + 181LYS HD1 2563 1.743 -0.553 -0.212 + 181LYS HD2 2564 1.861 -0.438 -0.139 + 181LYS CE 2565 1.673 -0.348 -0.206 + 181LYS HE1 2566 1.687 -0.255 -0.147 + 181LYS HE2 2567 1.564 -0.374 -0.208 + 181LYS NZ 2568 1.714 -0.319 -0.345 + 181LYS HZ1 2569 1.706 -0.403 -0.405 + 181LYS HZ2 2570 1.811 -0.284 -0.346 + 181LYS HZ3 2571 1.651 -0.245 -0.386 + 181LYS C 2572 1.737 -0.384 0.358 + 181LYS O 2573 1.845 -0.424 0.398 + 182PHE N 2574 1.669 -0.286 0.421 + 182PHE HN 2575 1.579 -0.259 0.389 + 182PHE CA 2576 1.717 -0.225 0.543 + 182PHE HA 2577 1.789 -0.290 0.589 + 182PHE CB 2578 1.780 -0.084 0.523 + 182PHE HB1 2579 1.805 -0.038 0.620 + 182PHE HB2 2580 1.709 -0.018 0.469 + 182PHE CG 2581 1.907 -0.095 0.443 + 182PHE CD1 2582 2.030 -0.119 0.507 + 182PHE HD1 2583 2.032 -0.130 0.615 + 182PHE CE1 2584 2.148 -0.131 0.434 + 182PHE HE1 2585 2.241 -0.152 0.484 + 182PHE CZ 2586 2.145 -0.117 0.294 + 182PHE HZ 2587 2.237 -0.127 0.237 + 182PHE CD2 2588 1.906 -0.078 0.304 + 182PHE HD2 2589 1.813 -0.058 0.254 + 182PHE CE2 2590 2.024 -0.090 0.229 + 182PHE HE2 2591 2.021 -0.078 0.122 + 182PHE C 2592 1.604 -0.214 0.643 + 182PHE O 2593 1.500 -0.152 0.615 + 183ILE N 2594 1.621 -0.272 0.762 + 183ILE HN 2595 1.709 -0.317 0.783 + 183ILE CA 2596 1.523 -0.273 0.870 + 183ILE HA 2597 1.448 -0.198 0.850 + 183ILE CB 2598 1.451 -0.407 0.887 + 183ILE HB 2599 1.526 -0.487 0.910 + 183ILE CG2 2600 1.350 -0.398 1.004 + 183ILE HG21 2601 1.275 -0.318 0.985 + 183ILE HG22 2602 1.400 -0.377 1.101 + 183ILE HG23 2603 1.295 -0.494 1.016 + 183ILE CG1 2604 1.379 -0.450 0.756 + 183ILE HG11 2605 1.452 -0.449 0.671 + 183ILE HG12 2606 1.300 -0.375 0.732 + 183ILE CD 2607 1.318 -0.590 0.761 + 183ILE HD1 2608 1.237 -0.596 0.836 + 183ILE HD2 2609 1.395 -0.666 0.786 + 183ILE HD3 2610 1.274 -0.618 0.662 + 183ILE C 2611 1.598 -0.235 0.997 + 183ILE O 2612 1.701 -0.292 1.030 + 184ASN N 2613 1.549 -0.131 1.069 + 184ASN HN 2614 1.464 -0.089 1.041 + 184ASN CA 2615 1.606 -0.084 1.195 + 184ASN HA 2616 1.548 0.003 1.222 + 184ASN CB 2617 1.595 -0.185 1.313 + 184ASN HB1 2618 1.652 -0.149 1.401 + 184ASN HB2 2619 1.637 -0.284 1.283 + 184ASN CG 2620 1.450 -0.201 1.354 + 184ASN OD1 2621 1.355 -0.166 1.286 + 184ASN ND2 2622 1.432 -0.254 1.478 + 184ASN HD21 2623 1.337 -0.268 1.505 + 184ASN HD22 2624 1.512 -0.284 1.529 + 184ASN C 2625 1.748 -0.030 1.185 + 184ASN O 2626 1.829 -0.038 1.276 + 185GLY N 2627 1.779 0.031 1.068 + 185GLY HN 2628 1.712 0.028 0.996 + 185GLY CA 2629 1.909 0.090 1.040 + 185GLY HA1 2630 1.939 0.152 1.123 + 185GLY HA2 2631 1.901 0.145 0.947 + 185GLY C 2632 2.019 -0.011 1.020 + 185GLY O 2633 2.135 0.020 1.029 + 186GLN N 2634 1.979 -0.137 0.991 + 186GLN HN 2635 1.882 -0.160 0.987 + 186GLN CA 2636 2.067 -0.247 0.966 + 186GLN HA 2637 2.169 -0.214 0.955 + 186GLN CB 2638 2.057 -0.356 1.076 + 186GLN HB1 2639 2.137 -0.431 1.055 + 186GLN HB2 2640 1.958 -0.407 1.069 + 186GLN CG 2641 2.076 -0.303 1.219 + 186GLN HG1 2642 1.993 -0.237 1.249 + 186GLN HG2 2643 2.171 -0.245 1.226 + 186GLN CD 2644 2.086 -0.419 1.318 + 186GLN OE1 2645 2.189 -0.439 1.383 + 186GLN NE2 2646 1.978 -0.499 1.330 + 186GLN HE21 2647 1.985 -0.577 1.392 + 186GLN HE22 2648 1.898 -0.481 1.274 + 186GLN C 2649 2.020 -0.308 0.836 + 186GLN O 2650 1.907 -0.280 0.792 + 187ALA N 2651 2.102 -0.389 0.770 + 187ALA HN 2652 2.194 -0.411 0.805 + 187ALA CA 2653 2.059 -0.461 0.652 + 187ALA HA 2654 1.993 -0.397 0.595 + 187ALA CB 2655 2.179 -0.497 0.563 + 187ALA HB1 2656 2.247 -0.567 0.614 + 187ALA HB2 2657 2.235 -0.404 0.539 + 187ALA HB3 2658 2.146 -0.542 0.466 + 187ALA C 2659 1.981 -0.586 0.689 + 187ALA O 2660 1.964 -0.618 0.806 + 188ASN N 2661 1.929 -0.656 0.587 + 188ASN HN 2662 1.937 -0.621 0.495 + 188ASN CA 2663 1.851 -0.777 0.605 + 188ASN HA 2664 1.847 -0.803 0.711 + 188ASN CB 2665 1.709 -0.752 0.549 + 188ASN HB1 2666 1.707 -0.761 0.439 + 188ASN HB2 2667 1.679 -0.648 0.576 + 188ASN CG 2668 1.605 -0.845 0.612 + 188ASN OD1 2669 1.632 -0.923 0.704 + 188ASN ND2 2670 1.480 -0.837 0.561 + 188ASN HD21 2671 1.408 -0.891 0.603 + 188ASN HD22 2672 1.462 -0.771 0.487 + 188ASN C 2673 1.922 -0.892 0.535 + 188ASN O 2674 1.862 -0.993 0.498 + 189VAL N 2675 2.054 -0.878 0.512 + 189VAL HN 2676 2.099 -0.798 0.549 + 189VAL CA 2677 2.140 -0.975 0.444 + 189VAL HA 2678 2.093 -0.995 0.349 + 189VAL CB 2679 2.279 -0.918 0.415 + 189VAL HB 2680 2.266 -0.829 0.349 + 189VAL CG1 2681 2.351 -0.871 0.544 + 189VAL HG11 2682 2.364 -0.955 0.615 + 189VAL HG12 2683 2.295 -0.791 0.595 + 189VAL HG13 2684 2.452 -0.833 0.520 + 189VAL CG2 2685 2.365 -1.021 0.339 + 189VAL HG21 2686 2.309 -1.064 0.254 + 189VAL HG22 2687 2.395 -1.105 0.406 + 189VAL HG23 2688 2.458 -0.973 0.301 + 189VAL C 2689 2.146 -1.109 0.514 + 189VAL O 2690 2.147 -1.215 0.449 + 190GLU N 2691 2.148 -1.113 0.649 + 190GLU HN 2692 2.146 -1.027 0.702 + 190GLU CA 2693 2.143 -1.236 0.724 + 190GLU HA 2694 2.222 -1.299 0.685 + 190GLU CB 2695 2.170 -1.216 0.874 + 190GLU HB1 2696 2.153 -1.312 0.929 + 190GLU HB2 2697 2.096 -1.143 0.913 + 190GLU CG 2698 2.314 -1.169 0.905 + 190GLU HG1 2699 2.338 -1.080 0.844 + 190GLU HG2 2700 2.385 -1.250 0.879 + 190GLU CD 2701 2.331 -1.131 1.052 + 190GLU OE1 2702 2.289 -1.211 1.140 + 190GLU OE2 2703 2.384 -1.020 1.078 + 190GLU C 2704 2.015 -1.314 0.706 + 190GLU O 2705 1.903 -1.267 0.739 + 191GLY N 2706 2.023 -1.436 0.654 + 191GLY HN 2707 2.114 -1.468 0.623 + 191GLY CA 2708 1.908 -1.521 0.627 + 191GLY HA1 2709 1.836 -1.510 0.707 + 191GLY HA2 2710 1.944 -1.621 0.615 + 191GLY C 2711 1.837 -1.486 0.500 + 191GLY O 2712 1.717 -1.513 0.487 + 192TRP N 2713 1.909 -1.428 0.403 + 192TRP HN 2714 2.006 -1.407 0.416 + 192TRP CA 2715 1.853 -1.387 0.276 + 192TRP HA 2716 1.752 -1.354 0.294 + 192TRP CB 2717 1.933 -1.267 0.218 + 192TRP HB1 2718 2.037 -1.300 0.198 + 192TRP HB2 2719 1.938 -1.190 0.299 + 192TRP CG 2720 1.876 -1.202 0.096 + 192TRP CD1 2721 1.905 -1.232 -0.035 + 192TRP HD1 2722 1.971 -1.313 -0.065 + 192TRP NE1 2723 1.835 -1.149 -0.118 + 192TRP HE1 2724 1.835 -1.151 -0.217 + 192TRP CE2 2725 1.758 -1.064 -0.044 + 192TRP CD2 2726 1.782 -1.094 0.093 + 192TRP CE3 2727 1.717 -1.019 0.191 + 192TRP HE3 2728 1.733 -1.040 0.296 + 192TRP CZ3 2729 1.628 -0.918 0.153 + 192TRP HZ3 2730 1.574 -0.862 0.228 + 192TRP CZ2 2731 1.671 -0.963 -0.082 + 192TRP HZ2 2732 1.651 -0.943 -0.186 + 192TRP CH2 2733 1.605 -0.891 0.018 + 192TRP HH2 2734 1.533 -0.814 -0.009 + 192TRP C 2735 1.847 -1.501 0.176 + 192TRP O 2736 1.946 -1.561 0.139 + 193GLU N 2737 1.723 -1.529 0.129 + 193GLU HN 2738 1.645 -1.479 0.165 + 193GLU CA 2739 1.697 -1.627 0.026 + 193GLU HA 2740 1.786 -1.684 0.003 + 193GLU CB 2741 1.588 -1.728 0.071 + 193GLU HB1 2742 1.552 -1.787 -0.016 + 193GLU HB2 2743 1.502 -1.670 0.111 + 193GLU CG 2744 1.635 -1.827 0.181 + 193GLU HG1 2745 1.548 -1.886 0.215 + 193GLU HG2 2746 1.677 -1.770 0.267 + 193GLU CD 2747 1.741 -1.928 0.136 + 193GLU OE1 2748 1.720 -1.990 0.026 + 193GLU OE2 2749 1.835 -1.953 0.213 + 193GLU C 2750 1.649 -1.553 -0.096 + 193GLU O 2751 1.539 -1.490 -0.088 + 194PRO N 2752 1.717 -1.546 -0.208 + 194PRO CD 2753 1.856 -1.594 -0.222 + 194PRO HD1 2754 1.852 -1.705 -0.233 + 194PRO HD2 2755 1.918 -1.565 -0.135 + 194PRO CA 2756 1.666 -1.498 -0.335 + 194PRO HA 2757 1.649 -1.391 -0.323 + 194PRO CB 2758 1.777 -1.528 -0.436 + 194PRO HB1 2759 1.782 -1.452 -0.516 + 194PRO HB2 2760 1.763 -1.628 -0.482 + 194PRO CG 2761 1.904 -1.530 -0.351 + 194PRO HG1 2762 1.986 -1.586 -0.400 + 194PRO HG2 2763 1.936 -1.425 -0.331 + 194PRO C 2764 1.531 -1.556 -0.377 + 194PRO O 2765 1.507 -1.677 -0.362 + 195SER N 2766 1.441 -1.472 -0.429 + 195SER HN 2767 1.457 -1.373 -0.434 + 195SER CA 2768 1.317 -1.517 -0.490 + 195SER HA 2769 1.269 -1.583 -0.420 + 195SER CB 2770 1.218 -1.402 -0.520 + 195SER HB1 2771 1.127 -1.440 -0.572 + 195SER HB2 2772 1.268 -1.326 -0.584 + 195SER OG 2773 1.177 -1.343 -0.397 + 195SER HG1 2774 1.152 -1.251 -0.418 + 195SER C 2775 1.341 -1.596 -0.617 + 195SER O 2776 1.431 -1.570 -0.695 + 196SER N 2777 1.257 -1.699 -0.640 + 196SER HN 2778 1.184 -1.722 -0.576 + 196SER CA 2779 1.281 -1.794 -0.748 + 196SER HA 2780 1.387 -1.803 -0.766 + 196SER CB 2781 1.224 -1.933 -0.711 + 196SER HB1 2782 1.247 -2.007 -0.790 + 196SER HB2 2783 1.113 -1.927 -0.701 + 196SER OG 2784 1.279 -1.978 -0.586 + 196SER HG1 2785 1.374 -1.988 -0.600 + 196SER C 2786 1.215 -1.751 -0.877 + 196SER O 2787 1.247 -1.802 -0.984 + 197ASN N 2788 1.122 -1.654 -0.869 + 197ASN HN 2789 1.096 -1.614 -0.781 + 197ASN CA 2790 1.045 -1.605 -0.982 + 197ASN HA 2791 1.078 -1.653 -1.073 + 197ASN CB 2792 0.894 -1.634 -0.960 + 197ASN HB1 2793 0.883 -1.743 -0.945 + 197ASN HB2 2794 0.837 -1.604 -1.051 + 197ASN CG 2795 0.830 -1.567 -0.838 + 197ASN OD1 2796 0.899 -1.523 -0.743 + 197ASN ND2 2797 0.696 -1.559 -0.837 + 197ASN HD21 2798 0.648 -1.519 -0.759 + 197ASN HD22 2799 0.644 -1.589 -0.918 + 197ASN C 2800 1.066 -1.456 -1.003 + 197ASN O 2801 1.002 -1.398 -1.090 + 198ASN N 2802 1.153 -1.391 -0.925 + 198ASN HN 2803 1.210 -1.440 -0.859 + 198ASN CA 2804 1.173 -1.249 -0.933 + 198ASN HA 2805 1.146 -1.214 -1.032 + 198ASN CB 2806 1.086 -1.175 -0.827 + 198ASN HB1 2807 1.121 -1.203 -0.725 + 198ASN HB2 2808 0.982 -1.212 -0.838 + 198ASN CG 2809 1.088 -1.022 -0.837 + 198ASN OD1 2810 1.184 -0.961 -0.887 + 198ASN ND2 2811 0.979 -0.957 -0.790 + 198ASN HD21 2812 0.973 -0.859 -0.805 + 198ASN HD22 2813 0.898 -1.009 -0.765 + 198ASN C 2814 1.322 -1.225 -0.916 + 198ASN O 2815 1.388 -1.280 -0.831 + 199ALA N 2816 1.377 -1.140 -1.004 + 199ALA HN 2817 1.317 -1.092 -1.068 + 199ALA CA 2818 1.519 -1.119 -1.017 + 199ALA HA 2819 1.572 -1.205 -0.979 + 199ALA CB 2820 1.549 -1.098 -1.166 + 199ALA HB1 2821 1.494 -1.010 -1.204 + 199ALA HB2 2822 1.517 -1.187 -1.223 + 199ALA HB3 2823 1.658 -1.082 -1.184 + 199ALA C 2824 1.566 -0.998 -0.939 + 199ALA O 2825 1.683 -0.961 -0.947 + 200ASN N 2826 1.476 -0.933 -0.862 + 200ASN HN 2827 1.380 -0.962 -0.863 + 200ASN CA 2828 1.510 -0.815 -0.785 + 200ASN HA 2829 1.617 -0.801 -0.783 + 200ASN CB 2830 1.440 -0.691 -0.846 + 200ASN HB1 2831 1.455 -0.601 -0.783 + 200ASN HB2 2832 1.331 -0.709 -0.857 + 200ASN CG 2833 1.496 -0.661 -0.984 + 200ASN OD1 2834 1.428 -0.664 -1.087 + 200ASN ND2 2835 1.627 -0.629 -0.990 + 200ASN HD21 2836 1.660 -0.605 -1.082 + 200ASN HD22 2837 1.685 -0.644 -0.911 + 200ASN C 2838 1.471 -0.827 -0.638 + 200ASN O 2839 1.494 -0.735 -0.561 + 201THR N 2840 1.416 -0.943 -0.594 + 201THR HN 2841 1.406 -1.022 -0.653 + 201THR CA 2842 1.365 -0.959 -0.458 + 201THR HA 2843 1.402 -0.878 -0.396 + 201THR CB 2844 1.212 -0.961 -0.444 + 201THR HB 2845 1.183 -0.967 -0.336 + 201THR OG1 2846 1.150 -1.069 -0.513 + 201THR HG1 2847 1.056 -1.053 -0.501 + 201THR CG2 2848 1.155 -0.830 -0.500 + 201THR HG21 2849 1.180 -0.816 -0.607 + 201THR HG22 2850 1.196 -0.745 -0.442 + 201THR HG23 2851 1.044 -0.826 -0.490 + 201THR C 2852 1.419 -1.085 -0.396 + 201THR O 2853 1.462 -1.179 -0.463 + 202GLY N 2854 1.417 -1.088 -0.262 + 202GLY HN 2855 1.383 -1.011 -0.208 + 202GLY CA 2856 1.443 -1.206 -0.184 + 202GLY HA1 2857 1.549 -1.213 -0.164 + 202GLY HA2 2858 1.400 -1.293 -0.232 + 202GLY C 2859 1.372 -1.187 -0.056 + 202GLY O 2860 1.300 -1.088 -0.038 + 203ILE N 2861 1.389 -1.281 0.036 + 203ILE HN 2862 1.447 -1.361 0.015 + 203ILE CA 2863 1.327 -1.279 0.167 + 203ILE HA 2864 1.277 -1.184 0.184 + 203ILE CB 2865 1.225 -1.392 0.184 + 203ILE HB 2866 1.275 -1.488 0.157 + 203ILE CG2 2867 1.177 -1.401 0.331 + 203ILE HG21 2868 1.131 -1.306 0.362 + 203ILE HG22 2869 1.261 -1.425 0.400 + 203ILE HG23 2870 1.102 -1.482 0.343 + 203ILE CG1 2871 1.107 -1.371 0.086 + 203ILE HG11 2872 1.146 -1.361 -0.017 + 203ILE HG12 2873 1.058 -1.274 0.112 + 203ILE CD 2874 1.003 -1.484 0.088 + 203ILE HD1 2875 0.952 -1.490 0.187 + 203ILE HD2 2876 1.052 -1.582 0.068 + 203ILE HD3 2877 0.925 -1.467 0.011 + 203ILE C 2878 1.439 -1.289 0.267 + 203ILE O 2879 1.514 -1.386 0.268 + 204GLY N 2880 1.455 -1.186 0.353 + 204GLY HN 2881 1.395 -1.106 0.347 + 204GLY CA 2882 1.553 -1.185 0.460 + 204GLY HA1 2883 1.576 -1.082 0.481 + 204GLY HA2 2884 1.642 -1.238 0.428 + 204GLY C 2885 1.508 -1.248 0.588 + 204GLY O 2886 1.400 -1.312 0.599 + 205GLY N 2887 1.589 -1.233 0.693 + 205GLY HN 2888 1.674 -1.180 0.683 + 205GLY CA 2889 1.564 -1.293 0.824 + 205GLY HA1 2890 1.660 -1.299 0.874 + 205GLY HA2 2891 1.518 -1.389 0.810 + 205GLY C 2892 1.475 -1.211 0.912 + 205GLY O 2893 1.411 -1.265 1.003 + 206HSD N 2894 1.469 -1.079 0.891 + 206HSD HN 2895 1.522 -1.038 0.817 + 206HSD CA 2896 1.389 -0.988 0.970 + 206HSD HA 2897 1.348 -1.038 1.057 + 206HSD CB 2898 1.470 -0.865 1.016 + 206HSD HB1 2899 1.407 -0.797 1.077 + 206HSD HB2 2900 1.505 -0.809 0.926 + 206HSD ND1 2901 1.710 -0.832 1.092 + 206HSD HD1 2902 1.730 -0.754 1.033 + 206HSD CG 2903 1.592 -0.901 1.097 + 206HSD CE1 2904 1.798 -0.896 1.174 + 206HSD HE1 2905 1.899 -0.861 1.194 + 206HSD NE2 2906 1.744 -1.003 1.229 + 206HSD CD2 2907 1.613 -1.005 1.183 + 206HSD HD2 2908 1.544 -1.081 1.217 + 206HSD C 2909 1.273 -0.937 0.888 + 206HSD O 2910 1.279 -0.933 0.765 + 207GLY N 2911 1.164 -0.896 0.956 + 207GLY HN 2912 1.162 -0.906 1.056 + 207GLY CA 2913 1.050 -0.829 0.896 + 207GLY HA1 2914 0.964 -0.893 0.905 + 207GLY HA2 2915 1.072 -0.801 0.794 + 207GLY C 2916 1.022 -0.701 0.971 + 207GLY O 2917 1.087 -0.670 1.069 + 208SER N 2918 0.922 -0.624 0.924 + 208SER HN 2919 0.871 -0.651 0.843 + 208SER CA 2920 0.890 -0.495 0.986 + 208SER HA 2921 0.929 -0.492 1.087 + 208SER CB 2922 0.952 -0.380 0.903 + 208SER HB1 2923 0.903 -0.375 0.803 + 208SER HB2 2924 1.059 -0.406 0.886 + 208SER OG 2925 0.948 -0.252 0.966 + 208SER HG1 2926 0.939 -0.189 0.892 + 208SER C 2927 0.740 -0.480 0.998 + 208SER O 2928 0.671 -0.447 0.900 + 209CYS N 2929 0.683 -0.503 1.117 + 209CYS HN 2930 0.741 -0.519 1.197 + 209CYS CA 2931 0.540 -0.498 1.143 + 209CYS HA 2932 0.485 -0.530 1.055 + 209CYS CB 2933 0.500 -0.585 1.266 + 209CYS HB1 2934 0.395 -0.563 1.296 + 209CYS HB2 2935 0.564 -0.555 1.352 + 209CYS SG 2936 0.512 -0.765 1.247 + 209CYS C 2937 0.496 -0.357 1.179 + 209CYS O 2938 0.565 -0.287 1.251 + 210CYS N 2939 0.376 -0.315 1.132 + 210CYS HN 2940 0.326 -0.366 1.061 + 210CYS CA 2941 0.301 -0.208 1.196 + 210CYS HA 2942 0.300 -0.229 1.302 + 210CYS CB 2943 0.357 -0.064 1.176 + 210CYS HB1 2944 0.461 -0.064 1.215 + 210CYS HB2 2945 0.300 0.007 1.240 + 210CYS SG 2946 0.359 -0.001 1.006 + 210CYS C 2947 0.157 -0.213 1.152 + 210CYS O 2948 0.122 -0.283 1.057 + 211SER N 2949 0.068 -0.141 1.223 + 211SER HN 2950 0.101 -0.085 1.299 + 211SER CA 2951 -0.072 -0.126 1.186 + 211SER HA 2952 -0.115 -0.225 1.177 + 211SER CB 2953 -0.154 -0.046 1.291 + 211SER HB1 2954 -0.261 -0.038 1.260 + 211SER HB2 2955 -0.112 0.057 1.299 + 211SER OG 2956 -0.148 -0.109 1.419 + 211SER HG1 2957 -0.054 -0.115 1.439 + 211SER C 2958 -0.094 -0.056 1.053 + 211SER O 2959 -0.018 0.034 1.016 + 212GLU N 2960 -0.200 -0.095 0.980 + 212GLU HN 2961 -0.264 -0.164 1.013 + 212GLU CA 2962 -0.220 -0.056 0.843 + 212GLU HA 2963 -0.169 0.038 0.824 + 212GLU CB 2964 -0.159 -0.163 0.749 + 212GLU HB1 2965 -0.192 -0.264 0.783 + 212GLU HB2 2966 -0.049 -0.159 0.762 + 212GLU CG 2967 -0.193 -0.152 0.599 + 212GLU HG1 2968 -0.180 -0.048 0.562 + 212GLU HG2 2969 -0.297 -0.184 0.576 + 212GLU CD 2970 -0.098 -0.243 0.521 + 212GLU OE1 2971 -0.087 -0.364 0.557 + 212GLU OE2 2972 -0.028 -0.190 0.431 + 212GLU C 2973 -0.366 -0.032 0.813 + 212GLU O 2974 -0.455 -0.100 0.865 + 213MET N 2975 -0.395 0.071 0.732 + 213MET HN 2976 -0.319 0.123 0.691 + 213MET CA 2977 -0.528 0.101 0.687 + 213MET HA 2978 -0.598 0.024 0.718 + 213MET CB 2979 -0.572 0.241 0.737 + 213MET HB1 2980 -0.505 0.318 0.695 + 213MET HB2 2981 -0.558 0.247 0.847 + 213MET CG 2982 -0.718 0.278 0.701 + 213MET HG1 2983 -0.728 0.282 0.591 + 213MET HG2 2984 -0.736 0.381 0.739 + 213MET SD 2985 -0.841 0.165 0.771 + 213MET CE 2986 -0.922 0.121 0.616 + 213MET HE1 2987 -0.854 0.060 0.553 + 213MET HE2 2988 -0.952 0.211 0.558 + 213MET HE3 2989 -1.013 0.059 0.634 + 213MET C 2990 -0.527 0.105 0.536 + 213MET O 2991 -0.484 0.204 0.477 + 214ASP N 2992 -0.583 0.003 0.469 + 214ASP HN 2993 -0.618 -0.080 0.513 + 214ASP CA 2994 -0.603 0.006 0.326 + 214ASP HA 2995 -0.522 0.062 0.280 + 214ASP CB 2996 -0.610 -0.134 0.263 + 214ASP HB1 2997 -0.666 -0.133 0.166 + 214ASP HB2 2998 -0.658 -0.207 0.331 + 214ASP CG 2999 -0.471 -0.180 0.227 + 214ASP OD1 3000 -0.408 -0.106 0.146 + 214ASP OD2 3001 -0.431 -0.289 0.269 + 214ASP C 3002 -0.729 0.081 0.295 + 214ASP O 3003 -0.842 0.031 0.305 + 215ILE N 3004 -0.715 0.209 0.259 + 215ILE HN 3005 -0.623 0.247 0.256 + 215ILE CA 3006 -0.823 0.289 0.205 + 215ILE HA 3007 -0.906 0.285 0.275 + 215ILE CB 3008 -0.780 0.434 0.182 + 215ILE HB 3009 -0.698 0.435 0.106 + 215ILE CG2 3010 -0.897 0.517 0.123 + 215ILE HG21 3011 -0.986 0.507 0.189 + 215ILE HG22 3012 -0.924 0.481 0.022 + 215ILE HG23 3013 -0.867 0.623 0.116 + 215ILE CG1 3014 -0.721 0.500 0.309 + 215ILE HG11 3015 -0.676 0.597 0.277 + 215ILE HG12 3016 -0.637 0.438 0.348 + 215ILE CD 3017 -0.823 0.526 0.420 + 215ILE HD1 3018 -0.874 0.431 0.448 + 215ILE HD2 3019 -0.900 0.599 0.388 + 215ILE HD3 3020 -0.771 0.565 0.510 + 215ILE C 3021 -0.873 0.232 0.073 + 215ILE O 3022 -0.991 0.224 0.046 + 216TRP N 3023 -0.775 0.194 -0.011 + 216TRP HN 3024 -0.679 0.197 0.015 + 216TRP CA 3025 -0.803 0.156 -0.147 + 216TRP HA 3026 -0.901 0.112 -0.154 + 216TRP CB 3027 -0.787 0.283 -0.234 + 216TRP HB1 3028 -0.681 0.317 -0.229 + 216TRP HB2 3029 -0.847 0.362 -0.185 + 216TRP CG 3030 -0.830 0.275 -0.377 + 216TRP CD1 3031 -0.750 0.287 -0.488 + 216TRP HD1 3032 -0.642 0.287 -0.486 + 216TRP NE1 3033 -0.829 0.287 -0.601 + 216TRP HE1 3034 -0.798 0.276 -0.693 + 216TRP CE2 3035 -0.960 0.272 -0.565 + 216TRP CD2 3036 -0.965 0.263 -0.424 + 216TRP CE3 3037 -1.087 0.245 -0.360 + 216TRP HE3 3038 -1.093 0.233 -0.253 + 216TRP CZ3 3039 -1.202 0.234 -0.438 + 216TRP HZ3 3040 -1.297 0.212 -0.390 + 216TRP CZ2 3041 -1.075 0.263 -0.642 + 216TRP HZ2 3042 -1.071 0.266 -0.750 + 216TRP CH2 3043 -1.196 0.243 -0.577 + 216TRP HH2 3044 -1.287 0.229 -0.634 + 216TRP C 3045 -0.700 0.055 -0.190 + 216TRP O 3046 -0.581 0.078 -0.181 + 217GLU N 3047 -0.750 -0.057 -0.244 + 217GLU HN 3048 -0.848 -0.075 -0.243 + 217GLU CA 3049 -0.672 -0.149 -0.321 + 217GLU HA 3050 -0.581 -0.105 -0.358 + 217GLU CB 3051 -0.646 -0.280 -0.244 + 217GLU HB1 3052 -0.604 -0.356 -0.313 + 217GLU HB2 3053 -0.743 -0.319 -0.206 + 217GLU CG 3054 -0.552 -0.261 -0.124 + 217GLU HG1 3055 -0.596 -0.193 -0.047 + 217GLU HG2 3056 -0.454 -0.217 -0.154 + 217GLU CD 3057 -0.529 -0.394 -0.062 + 217GLU OE1 3058 -0.615 -0.459 0.007 + 217GLU OE2 3059 -0.407 -0.450 -0.087 + 217GLU HE2 3060 -0.393 -0.518 -0.022 + 217GLU C 3061 -0.763 -0.180 -0.435 + 217GLU O 3062 -0.873 -0.228 -0.414 + 218ALA N 3063 -0.724 -0.148 -0.559 + 218ALA HN 3064 -0.634 -0.110 -0.579 + 218ALA CA 3065 -0.817 -0.167 -0.667 + 218ALA HA 3066 -0.866 -0.263 -0.653 + 218ALA CB 3067 -0.924 -0.055 -0.672 + 218ALA HB1 3068 -0.878 0.041 -0.700 + 218ALA HB2 3069 -0.972 -0.044 -0.573 + 218ALA HB3 3070 -1.003 -0.080 -0.745 + 218ALA C 3071 -0.750 -0.174 -0.801 + 218ALA O 3072 -0.638 -0.127 -0.825 + 219ASN N 3073 -0.824 -0.233 -0.894 + 219ASN HN 3074 -0.911 -0.275 -0.867 + 219ASN CA 3075 -0.798 -0.225 -1.035 + 219ASN HA 3076 -0.734 -0.140 -1.054 + 219ASN CB 3077 -0.727 -0.353 -1.089 + 219ASN HB1 3078 -0.626 -0.354 -1.043 + 219ASN HB2 3079 -0.714 -0.349 -1.198 + 219ASN CG 3080 -0.799 -0.484 -1.054 + 219ASN OD1 3081 -0.920 -0.489 -1.039 + 219ASN ND2 3082 -0.718 -0.594 -1.044 + 219ASN HD21 3083 -0.756 -0.684 -1.025 + 219ASN HD22 3084 -0.619 -0.581 -1.046 + 219ASN C 3085 -0.932 -0.190 -1.097 + 219ASN O 3086 -1.022 -0.138 -1.031 + 220SER N 3087 -0.949 -0.214 -1.228 + 220SER HN 3088 -0.875 -0.250 -1.284 + 220SER CA 3089 -1.076 -0.185 -1.293 + 220SER HA 3090 -1.112 -0.091 -1.254 + 220SER CB 3091 -1.063 -0.170 -1.447 + 220SER HB1 3092 -0.990 -0.088 -1.467 + 220SER HB2 3093 -1.160 -0.139 -1.491 + 220SER OG 3094 -1.016 -0.288 -1.512 + 220SER HG1 3095 -0.925 -0.300 -1.482 + 220SER C 3096 -1.185 -0.287 -1.264 + 220SER O 3097 -1.302 -0.261 -1.294 + 221ILE N 3098 -1.150 -0.404 -1.206 + 221ILE HN 3099 -1.056 -0.420 -1.176 + 221ILE CA 3100 -1.242 -0.514 -1.186 + 221ILE HA 3101 -1.328 -0.502 -1.250 + 221ILE CB 3102 -1.174 -0.647 -1.221 + 221ILE HB 3103 -1.085 -0.662 -1.154 + 221ILE CG2 3104 -1.271 -0.766 -1.195 + 221ILE HG21 3105 -1.367 -0.749 -1.246 + 221ILE HG22 3106 -1.290 -0.778 -1.086 + 221ILE HG23 3107 -1.226 -0.860 -1.232 + 221ILE CG1 3108 -1.121 -0.647 -1.367 + 221ILE HG11 3109 -1.077 -0.747 -1.387 + 221ILE HG12 3110 -1.039 -0.573 -1.376 + 221ILE CD 3111 -1.227 -0.618 -1.474 + 221ILE HD1 3112 -1.270 -0.517 -1.459 + 221ILE HD2 3113 -1.309 -0.693 -1.469 + 221ILE HD3 3114 -1.181 -0.622 -1.575 + 221ILE C 3115 -1.298 -0.516 -1.045 + 221ILE O 3116 -1.418 -0.527 -1.026 + 222SER N 3117 -1.211 -0.500 -0.942 + 222SER HN 3118 -1.113 -0.485 -0.959 + 222SER CA 3119 -1.252 -0.510 -0.803 + 222SER HA 3120 -1.357 -0.487 -0.795 + 222SER CB 3121 -1.227 -0.651 -0.742 + 222SER HB1 3122 -1.255 -0.652 -0.634 + 222SER HB2 3123 -1.120 -0.677 -0.750 + 222SER OG 3124 -1.306 -0.752 -0.806 + 222SER HG1 3125 -1.313 -0.825 -0.742 + 222SER C 3126 -1.180 -0.408 -0.718 + 222SER O 3127 -1.081 -0.347 -0.762 + 223GLU N 3128 -1.231 -0.384 -0.596 + 223GLU HN 3129 -1.310 -0.434 -0.560 + 223GLU CA 3130 -1.177 -0.289 -0.501 + 223GLU HA 3131 -1.070 -0.286 -0.514 + 223GLU CB 3132 -1.236 -0.146 -0.517 + 223GLU HB1 3133 -1.211 -0.116 -0.622 + 223GLU HB2 3134 -1.183 -0.074 -0.450 + 223GLU CG 3135 -1.391 -0.132 -0.501 + 223GLU HG1 3136 -1.439 -0.231 -0.512 + 223GLU HG2 3137 -1.426 -0.069 -0.585 + 223GLU CD 3138 -1.446 -0.064 -0.375 + 223GLU OE1 3139 -1.368 -0.014 -0.287 + 223GLU OE2 3140 -1.569 -0.050 -0.366 + 223GLU C 3141 -1.203 -0.341 -0.361 + 223GLU O 3142 -1.288 -0.428 -0.341 + 224ALA N 3143 -1.126 -0.293 -0.261 + 224ALA HN 3144 -1.055 -0.225 -0.279 + 224ALA CA 3145 -1.139 -0.336 -0.124 + 224ALA HA 3146 -1.243 -0.359 -0.105 + 224ALA CB 3147 -1.053 -0.462 -0.096 + 224ALA HB1 3148 -0.945 -0.441 -0.112 + 224ALA HB2 3149 -1.084 -0.544 -0.164 + 224ALA HB3 3150 -1.067 -0.497 0.009 + 224ALA C 3151 -1.101 -0.224 -0.028 + 224ALA O 3152 -1.028 -0.130 -0.062 + 225LEU N 3153 -1.156 -0.231 0.094 + 225LEU HN 3154 -1.217 -0.308 0.114 + 225LEU CA 3155 -1.133 -0.140 0.204 + 225LEU HA 3156 -1.045 -0.080 0.186 + 225LEU CB 3157 -1.260 -0.051 0.223 + 225LEU HB1 3158 -1.348 -0.120 0.214 + 225LEU HB2 3159 -1.265 0.019 0.137 + 225LEU CG 3160 -1.276 0.027 0.356 + 225LEU HG 3161 -1.271 -0.046 0.440 + 225LEU CD1 3162 -1.166 0.131 0.376 + 225LEU HD11 3163 -1.166 0.206 0.294 + 225LEU HD12 3164 -1.066 0.081 0.376 + 225LEU HD13 3165 -1.178 0.183 0.473 + 225LEU CD2 3166 -1.414 0.094 0.363 + 225LEU HD21 3167 -1.494 0.016 0.355 + 225LEU HD22 3168 -1.426 0.166 0.280 + 225LEU HD23 3169 -1.427 0.146 0.460 + 225LEU C 3170 -1.107 -0.223 0.328 + 225LEU O 3171 -1.197 -0.294 0.374 + 226THR N 3172 -0.985 -0.218 0.384 + 226THR HN 3173 -0.914 -0.159 0.347 + 226THR CA 3174 -0.942 -0.317 0.483 + 226THR HA 3175 -1.028 -0.371 0.521 + 226THR CB 3176 -0.849 -0.423 0.424 + 226THR HB 3177 -0.745 -0.385 0.409 + 226THR OG1 3178 -0.896 -0.469 0.298 + 226THR HG1 3179 -0.824 -0.523 0.263 + 226THR CG2 3180 -0.845 -0.544 0.518 + 226THR HG21 3181 -0.946 -0.585 0.536 + 226THR HG22 3182 -0.798 -0.517 0.614 + 226THR HG23 3183 -0.783 -0.625 0.473 + 226THR C 3184 -0.870 -0.251 0.600 + 226THR O 3185 -0.763 -0.188 0.579 + 227PRO N 3186 -0.914 -0.257 0.724 + 227PRO CD 3187 -1.057 -0.266 0.758 + 227PRO HD1 3188 -1.097 -0.365 0.729 + 227PRO HD2 3189 -1.112 -0.185 0.706 + 227PRO CA 3190 -0.832 -0.221 0.839 + 227PRO HA 3191 -0.758 -0.146 0.813 + 227PRO CB 3192 -0.934 -0.171 0.943 + 227PRO HB1 3193 -0.951 -0.063 0.926 + 227PRO HB2 3194 -0.900 -0.186 1.047 + 227PRO CG 3195 -1.063 -0.248 0.910 + 227PRO HG1 3196 -1.060 -0.348 0.959 + 227PRO HG2 3197 -1.153 -0.193 0.943 + 227PRO C 3198 -0.757 -0.343 0.891 + 227PRO O 3199 -0.813 -0.453 0.895 + 228HSD N 3200 -0.631 -0.325 0.936 + 228HSD HN 3201 -0.586 -0.236 0.927 + 228HSD CA 3202 -0.549 -0.431 0.990 + 228HSD HA 3203 -0.605 -0.524 0.995 + 228HSD CB 3204 -0.426 -0.458 0.900 + 228HSD HB1 3205 -0.357 -0.531 0.948 + 228HSD HB2 3206 -0.371 -0.364 0.881 + 228HSD ND1 3207 -0.461 -0.649 0.739 + 228HSD HD1 3208 -0.425 -0.721 0.798 + 228HSD CG 3209 -0.468 -0.515 0.769 + 228HSD CE1 3210 -0.493 -0.661 0.608 + 228HSD HE1 3211 -0.493 -0.756 0.554 + 228HSD NE2 3212 -0.520 -0.545 0.554 + 228HSD CD2 3213 -0.501 -0.452 0.654 + 228HSD HD2 3214 -0.512 -0.346 0.631 + 228HSD C 3215 -0.495 -0.394 1.128 + 228HSD O 3216 -0.414 -0.301 1.139 + 229PRO N 3217 -0.533 -0.460 1.236 + 229PRO CD 3218 -0.654 -0.543 1.245 + 229PRO HD1 3219 -0.647 -0.631 1.177 + 229PRO HD2 3220 -0.742 -0.481 1.218 + 229PRO CA 3221 -0.476 -0.433 1.367 + 229PRO HA 3222 -0.449 -0.329 1.376 + 229PRO CB 3223 -0.587 -0.476 1.465 + 229PRO HB1 3224 -0.656 -0.390 1.481 + 229PRO HB2 3225 -0.549 -0.509 1.564 + 229PRO CG 3226 -0.662 -0.587 1.391 + 229PRO HG1 3227 -0.607 -0.683 1.401 + 229PRO HG2 3228 -0.766 -0.601 1.426 + 229PRO C 3229 -0.351 -0.515 1.388 + 229PRO O 3230 -0.333 -0.623 1.331 + 230CYS N 3231 -0.261 -0.465 1.472 + 230CYS HN 3232 -0.275 -0.376 1.514 + 230CYS CA 3233 -0.145 -0.539 1.515 + 230CYS HA 3234 -0.159 -0.645 1.497 + 230CYS CB 3235 -0.014 -0.488 1.450 + 230CYS HB1 3236 0.072 -0.548 1.486 + 230CYS HB2 3237 0.003 -0.382 1.480 + 230CYS SG 3238 -0.019 -0.491 1.269 + 230CYS C 3239 -0.138 -0.518 1.664 + 230CYS O 3240 -0.186 -0.417 1.717 + 231THR N 3241 -0.079 -0.613 1.738 + 231THR HN 3242 -0.042 -0.696 1.695 + 231THR CA 3243 -0.064 -0.602 1.883 + 231THR HA 3244 -0.163 -0.586 1.923 + 231THR CB 3245 -0.010 -0.729 1.947 + 231THR HB 3246 -0.002 -0.718 2.058 + 231THR OG1 3247 0.116 -0.766 1.894 + 231THR HG1 3248 0.181 -0.701 1.922 + 231THR CG2 3249 -0.108 -0.845 1.917 + 231THR HG21 3250 -0.112 -0.866 1.808 + 231THR HG22 3251 -0.210 -0.820 1.952 + 231THR HG23 3252 -0.074 -0.937 1.969 + 231THR C 3253 0.019 -0.482 1.925 + 231THR O 3254 -0.013 -0.408 2.019 + 232THR N 3255 0.127 -0.456 1.848 + 232THR HN 3256 0.145 -0.514 1.769 + 232THR CA 3257 0.213 -0.340 1.861 + 232THR HA 3258 0.196 -0.292 1.956 + 232THR CB 3259 0.362 -0.373 1.851 + 232THR HB 3260 0.384 -0.425 1.755 + 232THR OG1 3261 0.400 -0.457 1.959 + 232THR HG1 3262 0.486 -0.498 1.930 + 232THR CG2 3263 0.447 -0.245 1.863 + 232THR HG21 3264 0.424 -0.191 1.957 + 232THR HG22 3265 0.431 -0.178 1.776 + 232THR HG23 3266 0.554 -0.273 1.865 + 232THR C 3267 0.173 -0.246 1.750 + 232THR O 3268 0.177 -0.280 1.632 + 233VAL N 3269 0.123 -0.126 1.786 + 233VAL HN 3270 0.121 -0.101 1.882 + 233VAL CA 3271 0.065 -0.031 1.692 + 233VAL HA 3272 -0.013 -0.082 1.638 + 233VAL CB 3273 0.001 0.086 1.768 + 233VAL HB 3274 0.076 0.131 1.837 + 233VAL CG1 3275 -0.050 0.197 1.673 + 233VAL HG11 3276 -0.116 0.152 1.595 + 233VAL HG12 3277 0.033 0.249 1.621 + 233VAL HG13 3278 -0.109 0.273 1.729 + 233VAL CG2 3279 -0.118 0.031 1.850 + 233VAL HG21 3280 -0.087 -0.048 1.920 + 233VAL HG22 3281 -0.194 -0.013 1.781 + 233VAL HG23 3282 -0.167 0.113 1.907 + 233VAL C 3283 0.162 0.021 1.587 + 233VAL O 3284 0.129 0.026 1.468 + 234GLY N 3285 0.284 0.059 1.628 + 234GLY HN 3286 0.313 0.038 1.722 + 234GLY CA 3287 0.383 0.121 1.542 + 234GLY HA1 3288 0.437 0.190 1.602 + 234GLY HA2 3289 0.335 0.168 1.457 + 234GLY C 3290 0.484 0.025 1.490 + 234GLY O 3291 0.473 -0.095 1.507 + 235GLN N 3292 0.590 0.080 1.427 + 235GLN HN 3293 0.593 0.178 1.410 + 235GLN CA 3294 0.698 0.004 1.369 + 235GLN HA 3295 0.655 -0.063 1.297 + 235GLN CB 3296 0.792 0.101 1.292 + 235GLN HB1 3297 0.843 0.171 1.362 + 235GLN HB2 3298 0.725 0.163 1.227 + 235GLN CG 3299 0.896 0.035 1.197 + 235GLN HG1 3300 0.931 0.112 1.125 + 235GLN HG2 3301 0.844 -0.044 1.139 + 235GLN CD 3302 1.020 -0.023 1.267 + 235GLN OE1 3303 1.085 0.038 1.352 + 235GLN NE2 3304 1.058 -0.145 1.224 + 235GLN HE21 3305 1.144 -0.183 1.263 + 235GLN HE22 3306 1.008 -0.192 1.153 + 235GLN C 3307 0.774 -0.081 1.471 + 235GLN O 3308 0.817 -0.036 1.576 + 236GLU N 3309 0.788 -0.212 1.438 + 236GLU HN 3310 0.746 -0.246 1.354 + 236GLU CA 3311 0.844 -0.312 1.525 + 236GLU HA 3312 0.916 -0.266 1.590 + 236GLU CB 3313 0.731 -0.381 1.608 + 236GLU HB1 3314 0.655 -0.421 1.536 + 236GLU HB2 3315 0.680 -0.301 1.667 + 236GLU CG 3316 0.775 -0.495 1.702 + 236GLU HG1 3317 0.849 -0.458 1.776 + 236GLU HG2 3318 0.820 -0.578 1.645 + 236GLU CD 3319 0.659 -0.555 1.782 + 236GLU OE1 3320 0.566 -0.614 1.720 + 236GLU OE2 3321 0.661 -0.544 1.907 + 236GLU C 3322 0.917 -0.412 1.438 + 236GLU O 3323 0.873 -0.446 1.327 + 237ILE N 3324 1.034 -0.461 1.482 + 237ILE HN 3325 1.068 -0.439 1.573 + 237ILE CA 3326 1.107 -0.565 1.412 + 237ILE HA 3327 1.083 -0.560 1.306 + 237ILE CB 3328 1.258 -0.550 1.426 + 237ILE HB 3329 1.280 -0.444 1.400 + 237ILE CG2 3330 1.303 -0.578 1.571 + 237ILE HG21 3331 1.293 -0.687 1.594 + 237ILE HG22 3332 1.242 -0.522 1.645 + 237ILE HG23 3333 1.410 -0.551 1.585 + 237ILE CG1 3334 1.337 -0.636 1.323 + 237ILE HG11 3335 1.289 -0.623 1.223 + 237ILE HG12 3336 1.329 -0.744 1.350 + 237ILE CD 3337 1.485 -0.597 1.312 + 237ILE HD1 3338 1.538 -0.619 1.407 + 237ILE HD2 3339 1.496 -0.489 1.288 + 237ILE HD3 3340 1.533 -0.656 1.232 + 237ILE C 3341 1.061 -0.701 1.461 + 237ILE O 3342 1.021 -0.718 1.577 + 238CYS N 3343 1.064 -0.801 1.373 + 238CYS HN 3344 1.101 -0.788 1.282 + 238CYS CA 3345 1.015 -0.934 1.403 + 238CYS HA 3346 1.022 -0.953 1.508 + 238CYS CB 3347 0.868 -0.954 1.359 + 238CYS HB1 3348 0.803 -0.908 1.437 + 238CYS HB2 3349 0.842 -1.062 1.355 + 238CYS SG 3350 0.832 -0.873 1.200 + 238CYS HG1 3351 0.845 -0.749 1.247 + 238CYS C 3352 1.107 -1.033 1.336 + 238CYS O 3353 1.184 -0.999 1.248 + 239GLU N 3354 1.101 -1.161 1.383 + 239GLU HN 3355 1.032 -1.189 1.449 + 239GLU CA 3356 1.204 -1.258 1.354 + 239GLU HA 3357 1.285 -1.212 1.299 + 239GLU CB 3358 1.260 -1.318 1.486 + 239GLU HB1 3359 1.340 -1.389 1.458 + 239GLU HB2 3360 1.179 -1.374 1.539 + 239GLU CG 3361 1.320 -1.216 1.585 + 239GLU HG1 3362 1.364 -1.270 1.672 + 239GLU HG2 3363 1.242 -1.146 1.623 + 239GLU CD 3364 1.433 -1.134 1.523 + 239GLU OE1 3365 1.531 -1.199 1.481 + 239GLU OE2 3366 1.424 -1.008 1.527 + 239GLU C 3367 1.152 -1.373 1.271 + 239GLU O 3368 1.051 -1.438 1.306 + 240GLY N 3369 1.222 -1.409 1.162 + 240GLY HN 3370 1.297 -1.349 1.131 + 240GLY CA 3371 1.198 -1.528 1.079 + 240GLY HA1 3372 1.228 -1.613 1.138 + 240GLY HA2 3373 1.258 -1.515 0.990 + 240GLY C 3374 1.056 -1.550 1.035 + 240GLY O 3375 0.987 -1.459 0.992 + 241ASP N 3376 1.004 -1.673 1.048 + 241ASP HN 3377 1.061 -1.751 1.072 + 241ASP CA 3378 0.868 -1.706 1.009 + 241ASP HA 3379 0.837 -1.640 0.929 + 241ASP CB 3380 0.860 -1.852 0.960 + 241ASP HB1 3381 0.757 -1.877 0.929 + 241ASP HB2 3382 0.890 -1.923 1.041 + 241ASP CG 3383 0.955 -1.874 0.842 + 241ASP OD1 3384 0.908 -1.861 0.722 + 241ASP OD2 3385 1.074 -1.891 0.863 + 241ASP C 3386 0.772 -1.679 1.126 + 241ASP O 3387 0.653 -1.714 1.124 + 242GLY N 3388 0.821 -1.610 1.231 + 242GLY HN 3389 0.918 -1.583 1.230 + 242GLY CA 3390 0.743 -1.551 1.338 + 242GLY HA1 3391 0.808 -1.536 1.422 + 242GLY HA2 3392 0.658 -1.615 1.360 + 242GLY C 3393 0.691 -1.416 1.300 + 242GLY O 3394 0.605 -1.361 1.370 + 243CYS N 3395 0.743 -1.357 1.190 + 243CYS HN 3396 0.818 -1.402 1.142 + 243CYS CA 3397 0.693 -1.236 1.127 + 243CYS HA 3398 0.693 -1.157 1.201 + 243CYS CB 3399 0.779 -1.194 1.005 + 243CYS HB1 3400 0.736 -1.102 0.959 + 243CYS HB2 3401 0.774 -1.274 0.928 + 243CYS SG 3402 0.953 -1.162 1.048 + 243CYS HG1 3403 0.986 -1.288 1.071 + 243CYS C 3404 0.550 -1.250 1.079 + 243CYS O 3405 0.468 -1.161 1.097 + 244GLY N 3406 0.518 -1.366 1.019 + 244GLY HN 3407 0.588 -1.437 1.009 + 244GLY CA 3408 0.391 -1.391 0.952 + 244GLY HA1 3409 0.311 -1.356 1.015 + 244GLY HA2 3410 0.387 -1.497 0.932 + 244GLY C 3411 0.379 -1.324 0.819 + 244GLY O 3412 0.478 -1.294 0.752 + 245GLY N 3413 0.253 -1.307 0.775 + 245GLY HN 3414 0.178 -1.341 0.832 + 245GLY CA 3415 0.215 -1.250 0.647 + 245GLY HA1 3416 0.258 -1.151 0.642 + 245GLY HA2 3417 0.107 -1.249 0.642 + 245GLY C 3418 0.264 -1.326 0.527 + 245GLY O 3419 0.295 -1.446 0.531 + 246THR N 3420 0.267 -1.257 0.414 + 246THR HN 3421 0.235 -1.161 0.418 + 246THR CA 3422 0.297 -1.309 0.280 + 246THR HA 3423 0.224 -1.385 0.258 + 246THR CB 3424 0.283 -1.199 0.177 + 246THR HB 3425 0.348 -1.112 0.203 + 246THR OG1 3426 0.147 -1.158 0.175 + 246THR HG1 3427 0.131 -1.100 0.251 + 246THR CG2 3428 0.318 -1.246 0.035 + 246THR HG21 3429 0.257 -1.334 0.007 + 246THR HG22 3430 0.426 -1.271 0.024 + 246THR HG23 3431 0.297 -1.164 -0.038 + 246THR C 3432 0.431 -1.376 0.268 + 246THR O 3433 0.447 -1.479 0.201 + 247TYR N 3434 0.533 -1.321 0.336 + 247TYR HN 3435 0.515 -1.242 0.394 + 247TYR CA 3436 0.671 -1.360 0.322 + 247TYR HA 3437 0.687 -1.403 0.223 + 247TYR CB 3438 0.763 -1.237 0.339 + 247TYR HB1 3439 0.870 -1.265 0.324 + 247TYR HB2 3440 0.752 -1.193 0.441 + 247TYR CG 3441 0.729 -1.131 0.237 + 247TYR CD1 3442 0.780 -1.142 0.107 + 247TYR HD1 3443 0.841 -1.227 0.080 + 247TYR CE1 3444 0.753 -1.044 0.010 + 247TYR HE1 3445 0.794 -1.053 -0.089 + 247TYR CZ 3446 0.673 -0.935 0.043 + 247TYR OH 3447 0.654 -0.837 -0.056 + 247TYR HH 3448 0.743 -0.802 -0.078 + 247TYR CD2 3449 0.648 -1.020 0.269 + 247TYR HD2 3450 0.608 -1.010 0.369 + 247TYR CE2 3451 0.619 -0.923 0.172 + 247TYR HE2 3452 0.557 -0.837 0.196 + 247TYR C 3453 0.714 -1.467 0.422 + 247TYR O 3454 0.831 -1.492 0.440 + 248SER N 3455 0.617 -1.533 0.490 + 248SER HN 3456 0.520 -1.511 0.477 + 248SER CA 3457 0.647 -1.641 0.584 + 248SER HA 3458 0.750 -1.672 0.572 + 248SER CB 3459 0.624 -1.600 0.732 + 248SER HB1 3460 0.653 -1.683 0.800 + 248SER HB2 3461 0.516 -1.577 0.748 + 248SER OG 3462 0.702 -1.484 0.763 + 248SER HG1 3463 0.648 -1.408 0.732 + 248SER C 3464 0.564 -1.763 0.556 + 248SER O 3465 0.455 -1.755 0.495 + 249ASP N 3466 0.610 -1.883 0.595 + 249ASP HN 3467 0.699 -1.891 0.643 + 249ASP CA 3468 0.539 -2.009 0.572 + 249ASP HA 3469 0.515 -2.009 0.467 + 249ASP CB 3470 0.630 -2.134 0.597 + 249ASP HB1 3471 0.729 -2.115 0.550 + 249ASP HB2 3472 0.584 -2.220 0.545 + 249ASP CG 3473 0.654 -2.178 0.742 + 249ASP OD1 3474 0.650 -2.094 0.833 + 249ASP OD2 3475 0.689 -2.299 0.757 + 249ASP C 3476 0.406 -2.017 0.646 + 249ASP O 3477 0.304 -2.067 0.593 + 250ASN N 3478 0.402 -1.966 0.768 + 250ASN HN 3479 0.490 -1.937 0.807 + 250ASN CA 3480 0.285 -1.954 0.851 + 250ASN HA 3481 0.206 -2.014 0.810 + 250ASN CB 3482 0.317 -2.002 0.995 + 250ASN HB1 3483 0.403 -1.944 1.034 + 250ASN HB2 3484 0.347 -2.109 0.991 + 250ASN CG 3485 0.197 -1.987 1.087 + 250ASN OD1 3486 0.084 -1.968 1.044 + 250ASN ND2 3487 0.222 -1.992 1.220 + 250ASN HD21 3488 0.143 -1.975 1.280 + 250ASN HD22 3489 0.316 -1.996 1.251 + 250ASN C 3490 0.241 -1.809 0.848 + 250ASN O 3491 0.299 -1.722 0.909 + 251ARG N 3492 0.131 -1.783 0.773 + 251ARG HN 3493 0.084 -1.858 0.729 + 251ARG CA 3494 0.078 -1.650 0.749 + 251ARG HA 3495 0.159 -1.590 0.710 + 251ARG CB 3496 -0.032 -1.659 0.641 + 251ARG HB1 3497 -0.112 -1.729 0.675 + 251ARG HB2 3498 0.017 -1.703 0.550 + 251ARG CG 3499 -0.096 -1.525 0.601 + 251ARG HG1 3500 -0.015 -1.451 0.583 + 251ARG HG2 3501 -0.157 -1.487 0.687 + 251ARG CD 3502 -0.187 -1.532 0.477 + 251ARG HD1 3503 -0.275 -1.597 0.498 + 251ARG HD2 3504 -0.131 -1.576 0.391 + 251ARG NE 3505 -0.234 -1.395 0.445 + 251ARG HE 3506 -0.325 -1.361 0.482 + 251ARG CZ 3507 -0.176 -1.308 0.363 + 251ARG NH1 3508 -0.065 -1.340 0.295 + 251ARG HH11 3509 -0.025 -1.427 0.308 + 251ARG HH12 3510 -0.025 -1.268 0.237 + 251ARG NH2 3511 -0.227 -1.191 0.347 + 251ARG HH21 3512 -0.308 -1.165 0.402 + 251ARG HH22 3513 -0.184 -1.122 0.288 + 251ARG C 3514 0.030 -1.579 0.875 + 251ARG O 3515 0.052 -1.461 0.895 + 252TYR N 3516 -0.033 -1.654 0.967 + 252TYR HN 3517 -0.043 -1.752 0.955 + 252TYR CA 3518 -0.103 -1.597 1.082 + 252TYR HA 3519 -0.120 -1.491 1.066 + 252TYR CB 3520 -0.240 -1.667 1.101 + 252TYR HB1 3521 -0.301 -1.615 1.178 + 252TYR HB2 3522 -0.227 -1.773 1.132 + 252TYR CG 3523 -0.316 -1.664 0.971 + 252TYR CD1 3524 -0.380 -1.546 0.931 + 252TYR HD1 3525 -0.377 -1.458 0.993 + 252TYR CE1 3526 -0.451 -1.542 0.810 + 252TYR HE1 3527 -0.502 -1.450 0.782 + 252TYR CZ 3528 -0.459 -1.655 0.729 + 252TYR OH 3529 -0.534 -1.650 0.609 + 252TYR HH 3530 -0.569 -1.558 0.599 + 252TYR CD2 3531 -0.323 -1.777 0.888 + 252TYR HD2 3532 -0.273 -1.868 0.918 + 252TYR CE2 3533 -0.393 -1.773 0.767 + 252TYR HE2 3534 -0.399 -1.860 0.703 + 252TYR C 3535 -0.019 -1.611 1.207 + 252TYR O 3536 -0.068 -1.602 1.321 + 253GLY N 3537 0.112 -1.635 1.190 + 253GLY HN 3538 0.146 -1.643 1.096 + 253GLY CA 3539 0.207 -1.653 1.299 + 253GLY HA1 3540 0.299 -1.691 1.255 + 253GLY HA2 3541 0.165 -1.720 1.372 + 253GLY C 3542 0.244 -1.525 1.370 + 253GLY O 3543 0.283 -1.528 1.487 + 254GLY N 3544 0.235 -1.411 1.299 + 254GLY HN 3545 0.195 -1.413 1.207 + 254GLY CA 3546 0.284 -1.282 1.344 + 254GLY HA1 3547 0.292 -1.220 1.256 + 254GLY HA2 3548 0.379 -1.298 1.392 + 254GLY C 3549 0.201 -1.207 1.443 + 254GLY O 3550 0.094 -1.248 1.489 + 255THR N 3551 0.253 -1.088 1.480 + 255THR HN 3552 0.341 -1.057 1.444 + 255THR CA 3553 0.192 -0.992 1.571 + 255THR HA 3554 0.141 -1.046 1.649 + 255THR CB 3555 0.293 -0.897 1.635 + 255THR HB 3556 0.250 -0.797 1.660 + 255THR OG1 3557 0.408 -0.879 1.553 + 255THR HG1 3558 0.453 -0.799 1.586 + 255THR CG2 3559 0.343 -0.960 1.766 + 255THR HG21 3560 0.385 -1.061 1.747 + 255THR HG22 3561 0.259 -0.970 1.838 + 255THR HG23 3562 0.421 -0.896 1.812 + 255THR C 3563 0.086 -0.909 1.501 + 255THR O 3564 -0.003 -0.853 1.566 + 256CYS N 3565 0.093 -0.901 1.368 + 256CYS HN 3566 0.167 -0.947 1.319 + 256CYS CA 3567 -0.007 -0.836 1.285 + 256CYS HA 3568 -0.063 -0.766 1.344 + 256CYS CB 3569 0.057 -0.761 1.166 + 256CYS HB1 3570 -0.019 -0.735 1.089 + 256CYS HB2 3571 0.131 -0.828 1.116 + 256CYS SG 3572 0.138 -0.607 1.215 + 256CYS C 3573 -0.107 -0.935 1.231 + 256CYS O 3574 -0.082 -1.055 1.223 + 257ASP N 3575 -0.225 -0.884 1.195 + 257ASP HN 3576 -0.247 -0.787 1.207 + 257ASP CA 3577 -0.326 -0.955 1.120 + 257ASP HA 3578 -0.320 -1.061 1.140 + 257ASP CB 3579 -0.463 -0.904 1.168 + 257ASP HB1 3580 -0.461 -0.792 1.168 + 257ASP HB2 3581 -0.485 -0.938 1.271 + 257ASP CG 3582 -0.579 -0.944 1.079 + 257ASP OD1 3583 -0.570 -1.052 1.011 + 257ASP OD2 3584 -0.680 -0.874 1.084 + 257ASP C 3585 -0.302 -0.924 0.972 + 257ASP O 3586 -0.303 -0.807 0.938 + 258PRO N 3587 -0.281 -1.020 0.882 + 258PRO CD 3588 -0.249 -1.158 0.917 + 258PRO HD1 3589 -0.340 -1.210 0.955 + 258PRO HD2 3590 -0.168 -1.160 0.994 + 258PRO CA 3591 -0.239 -0.986 0.747 + 258PRO HA 3592 -0.195 -0.887 0.741 + 258PRO CB 3593 -0.140 -1.099 0.714 + 258PRO HB1 3594 -0.041 -1.072 0.754 + 258PRO HB2 3595 -0.130 -1.117 0.604 + 258PRO CG 3596 -0.197 -1.220 0.788 + 258PRO HG1 3597 -0.283 -1.263 0.730 + 258PRO HG2 3598 -0.122 -1.299 0.805 + 258PRO C 3599 -0.356 -0.991 0.652 + 258PRO O 3600 -0.336 -0.962 0.534 + 259ASP N 3601 -0.477 -1.031 0.697 + 259ASP HN 3602 -0.491 -1.055 0.793 + 259ASP CA 3603 -0.591 -1.044 0.609 + 259ASP HA 3604 -0.561 -1.037 0.505 + 259ASP CB 3605 -0.664 -1.180 0.631 + 259ASP HB1 3606 -0.763 -1.177 0.580 + 259ASP HB2 3607 -0.682 -1.195 0.739 + 259ASP CG 3608 -0.587 -1.300 0.576 + 259ASP OD1 3609 -0.470 -1.288 0.530 + 259ASP OD2 3610 -0.643 -1.414 0.581 + 259ASP C 3611 -0.685 -0.926 0.631 + 259ASP O 3612 -0.737 -0.869 0.535 + 260GLY N 3613 -0.702 -0.881 0.758 + 260GLY HN 3614 -0.658 -0.927 0.835 + 260GLY CA 3615 -0.794 -0.775 0.795 + 260GLY HA1 3616 -0.771 -0.688 0.737 + 260GLY HA2 3617 -0.782 -0.757 0.900 + 260GLY C 3618 -0.940 -0.807 0.775 + 260GLY O 3619 -0.980 -0.919 0.743 + 261CYS N 3620 -1.026 -0.707 0.798 + 261CYS HN 3621 -0.990 -0.618 0.823 + 261CYS CA 3622 -1.171 -0.719 0.783 + 261CYS HA 3623 -1.201 -0.823 0.775 + 261CYS CB 3624 -1.240 -0.654 0.907 + 261CYS HB1 3625 -1.199 -0.552 0.920 + 261CYS HB2 3626 -1.209 -0.714 0.995 + 261CYS SG 3627 -1.421 -0.645 0.903 + 261CYS C 3628 -1.208 -0.651 0.653 + 261CYS O 3629 -1.255 -0.538 0.652 + 262ASP N 3630 -1.177 -0.717 0.539 + 262ASP HN 3631 -1.147 -0.812 0.538 + 262ASP CA 3632 -1.191 -0.658 0.408 + 262ASP HA 3633 -1.153 -0.557 0.417 + 262ASP CB 3634 -1.102 -0.725 0.298 + 262ASP HB1 3635 -0.998 -0.725 0.337 + 262ASP HB2 3636 -1.103 -0.662 0.206 + 262ASP CG 3637 -1.134 -0.869 0.260 + 262ASP OD1 3638 -1.126 -0.957 0.347 + 262ASP OD2 3639 -1.159 -0.897 0.139 + 262ASP C 3640 -1.335 -0.640 0.364 + 262ASP O 3641 -1.421 -0.730 0.367 + 263TRP N 3642 -1.371 -0.520 0.319 + 263TRP HN 3643 -1.305 -0.444 0.324 + 263TRP CA 3644 -1.499 -0.496 0.258 + 263TRP HA 3645 -1.566 -0.580 0.274 + 263TRP CB 3646 -1.566 -0.368 0.314 + 263TRP HB1 3647 -1.505 -0.279 0.287 + 263TRP HB2 3648 -1.561 -0.379 0.425 + 263TRP CG 3649 -1.709 -0.347 0.275 + 263TRP CD1 3650 -1.761 -0.331 0.149 + 263TRP HD1 3651 -1.700 -0.327 0.059 + 263TRP NE1 3652 -1.898 -0.321 0.155 + 263TRP HE1 3653 -1.960 -0.314 0.080 + 263TRP CE2 3654 -1.938 -0.330 0.285 + 263TRP CD2 3655 -1.822 -0.344 0.365 + 263TRP CE3 3656 -1.834 -0.352 0.503 + 263TRP HE3 3657 -1.747 -0.365 0.566 + 263TRP CZ3 3658 -1.962 -0.348 0.559 + 263TRP HZ3 3659 -1.973 -0.358 0.667 + 263TRP CZ2 3660 -2.065 -0.328 0.341 + 263TRP HZ2 3661 -2.153 -0.322 0.279 + 263TRP CH2 3662 -2.076 -0.338 0.479 + 263TRP HH2 3663 -2.173 -0.341 0.526 + 263TRP C 3664 -1.475 -0.484 0.109 + 263TRP O 3665 -1.422 -0.384 0.061 + 264ASN N 3666 -1.517 -0.586 0.033 + 264ASN HN 3667 -1.555 -0.667 0.076 + 264ASN CA 3668 -1.509 -0.586 -0.112 + 264ASN HA 3669 -1.471 -0.492 -0.148 + 264ASN CB 3670 -1.408 -0.696 -0.159 + 264ASN HB1 3671 -1.432 -0.791 -0.108 + 264ASN HB2 3672 -1.307 -0.664 -0.125 + 264ASN CG 3673 -1.406 -0.723 -0.310 + 264ASN OD1 3674 -1.499 -0.701 -0.385 + 264ASN ND2 3675 -1.290 -0.779 -0.356 + 264ASN HD21 3676 -1.282 -0.796 -0.454 + 264ASN HD22 3677 -1.214 -0.794 -0.294 + 264ASN C 3678 -1.653 -0.608 -0.159 + 264ASN O 3679 -1.711 -0.711 -0.127 + 265PRO N 3680 -1.718 -0.517 -0.234 + 265PRO CD 3681 -1.673 -0.378 -0.247 + 265PRO HD1 3682 -1.603 -0.371 -0.333 + 265PRO HD2 3683 -1.621 -0.340 -0.156 + 265PRO CA 3684 -1.861 -0.530 -0.261 + 265PRO HA 3685 -1.912 -0.543 -0.167 + 265PRO CB 3686 -1.896 -0.399 -0.333 + 265PRO HB1 3687 -2.003 -0.372 -0.320 + 265PRO HB2 3688 -1.873 -0.407 -0.442 + 265PRO CG 3689 -1.801 -0.296 -0.272 + 265PRO HG1 3690 -1.781 -0.210 -0.339 + 265PRO HG2 3691 -1.840 -0.259 -0.175 + 265PRO C 3692 -1.895 -0.650 -0.349 + 265PRO O 3693 -2.003 -0.706 -0.332 + 266TYR N 3694 -1.806 -0.689 -0.442 + 266TYR HN 3695 -1.719 -0.638 -0.452 + 266TYR CA 3696 -1.822 -0.808 -0.525 + 266TYR HA 3697 -1.917 -0.799 -0.576 + 266TYR CB 3698 -1.707 -0.818 -0.629 + 266TYR HB1 3699 -1.612 -0.854 -0.582 + 266TYR HB2 3700 -1.686 -0.717 -0.668 + 266TYR CG 3701 -1.742 -0.909 -0.745 + 266TYR CD1 3702 -1.738 -1.050 -0.734 + 266TYR HD1 3703 -1.712 -1.095 -0.640 + 266TYR CE1 3704 -1.766 -1.131 -0.845 + 266TYR HE1 3705 -1.765 -1.238 -0.835 + 266TYR CZ 3706 -1.795 -1.073 -0.969 + 266TYR OH 3707 -1.820 -1.155 -1.081 + 266TYR HH 3708 -1.823 -1.245 -1.048 + 266TYR CD2 3709 -1.773 -0.853 -0.870 + 266TYR HD2 3710 -1.776 -0.746 -0.880 + 266TYR CE2 3711 -1.799 -0.934 -0.982 + 266TYR HE2 3712 -1.822 -0.889 -1.077 + 266TYR C 3713 -1.826 -0.933 -0.439 + 266TYR O 3714 -1.910 -1.021 -0.456 + 267ARG N 3715 -1.735 -0.940 -0.339 + 267ARG HN 3716 -1.675 -0.861 -0.324 + 267ARG CA 3717 -1.716 -1.053 -0.250 + 267ARG HA 3718 -1.708 -1.142 -0.309 + 267ARG CB 3719 -1.586 -1.030 -0.168 + 267ARG HB1 3720 -1.601 -0.945 -0.097 + 267ARG HB2 3721 -1.506 -1.000 -0.239 + 267ARG CG 3722 -1.536 -1.153 -0.089 + 267ARG HG1 3723 -1.519 -1.235 -0.161 + 267ARG HG2 3724 -1.615 -1.185 -0.018 + 267ARG CD 3725 -1.407 -1.126 -0.007 + 267ARG HD1 3726 -1.427 -1.050 0.072 + 267ARG HD2 3727 -1.325 -1.089 -0.073 + 267ARG NE 3728 -1.367 -1.258 0.051 + 267ARG HE 3729 -1.383 -1.342 0.002 + 267ARG CZ 3730 -1.310 -1.269 0.173 + 267ARG NH1 3731 -1.277 -1.171 0.248 + 267ARG HH11 3732 -1.240 -1.178 0.343 + 267ARG HH12 3733 -1.274 -1.073 0.222 + 267ARG NH2 3734 -1.290 -1.393 0.216 + 267ARG HH21 3735 -1.321 -1.469 0.164 + 267ARG HH22 3736 -1.247 -1.400 0.307 + 267ARG C 3737 -1.836 -1.071 -0.156 + 267ARG O 3738 -1.869 -1.181 -0.113 + 268LEU N 3739 -1.909 -0.961 -0.132 + 268LEU HN 3740 -1.878 -0.873 -0.167 + 268LEU CA 3741 -2.027 -0.958 -0.048 + 268LEU HA 3742 -2.025 -1.041 0.021 + 268LEU CB 3743 -2.028 -0.826 0.033 + 268LEU HB1 3744 -2.122 -0.816 0.090 + 268LEU HB2 3745 -2.022 -0.740 -0.038 + 268LEU CG 3746 -1.910 -0.816 0.132 + 268LEU HG 3747 -1.815 -0.837 0.079 + 268LEU CD1 3748 -1.897 -0.674 0.189 + 268LEU HD11 3749 -1.983 -0.647 0.253 + 268LEU HD12 3750 -1.889 -0.600 0.106 + 268LEU HD13 3751 -1.805 -0.665 0.250 + 268LEU CD2 3752 -1.924 -0.919 0.246 + 268LEU HD21 3753 -1.924 -1.022 0.207 + 268LEU HD22 3754 -2.017 -0.902 0.303 + 268LEU HD23 3755 -1.838 -0.910 0.316 + 268LEU C 3756 -2.155 -0.974 -0.129 + 268LEU O 3757 -2.266 -0.977 -0.078 + 269GLY N 3758 -2.141 -0.995 -0.262 + 269GLY HN 3759 -2.049 -0.986 -0.303 + 269GLY CA 3760 -2.247 -1.045 -0.348 + 269GLY HA1 3761 -2.328 -1.084 -0.288 + 269GLY HA2 3762 -2.203 -1.122 -0.411 + 269GLY C 3763 -2.308 -0.944 -0.440 + 269GLY O 3764 -2.398 -0.975 -0.516 + 270ASN N 3765 -2.261 -0.817 -0.437 + 270ASN HN 3766 -2.186 -0.792 -0.376 + 270ASN CA 3767 -2.308 -0.717 -0.530 + 270ASN HA 3768 -2.403 -0.749 -0.572 + 270ASN CB 3769 -2.332 -0.580 -0.461 + 270ASN HB1 3770 -2.234 -0.535 -0.432 + 270ASN HB2 3771 -2.391 -0.598 -0.368 + 270ASN CG 3772 -2.409 -0.484 -0.551 + 270ASN OD1 3773 -2.439 -0.510 -0.667 + 270ASN ND2 3774 -2.449 -0.368 -0.492 + 270ASN HD21 3775 -2.493 -0.300 -0.553 + 270ASN HD22 3776 -2.421 -0.349 -0.400 + 270ASN C 3777 -2.210 -0.706 -0.646 + 270ASN O 3778 -2.110 -0.635 -0.642 + 271THR N 3779 -2.240 -0.775 -0.757 + 271THR HN 3780 -2.321 -0.832 -0.762 + 271THR CA 3781 -2.145 -0.793 -0.867 + 271THR HA 3782 -2.044 -0.781 -0.831 + 271THR CB 3783 -2.160 -0.931 -0.929 + 271THR HB 3784 -2.089 -0.945 -1.014 + 271THR OG1 3785 -2.294 -0.955 -0.971 + 271THR HG1 3786 -2.312 -0.892 -1.041 + 271THR CG2 3787 -2.127 -1.036 -0.822 + 271THR HG21 3788 -2.202 -1.037 -0.741 + 271THR HG22 3789 -2.027 -1.017 -0.777 + 271THR HG23 3790 -2.126 -1.136 -0.870 + 271THR C 3791 -2.169 -0.691 -0.975 + 271THR O 3792 -2.109 -0.696 -1.084 + 272SER N 3793 -2.262 -0.597 -0.952 + 272SER HN 3794 -2.312 -0.600 -0.866 + 272SER CA 3795 -2.297 -0.494 -1.048 + 272SER HA 3796 -2.242 -0.506 -1.140 + 272SER CB 3797 -2.449 -0.496 -1.082 + 272SER HB1 3798 -2.475 -0.414 -1.151 + 272SER HB2 3799 -2.508 -0.482 -0.988 + 272SER OG 3800 -2.485 -0.621 -1.142 + 272SER HG1 3801 -2.434 -0.627 -1.224 + 272SER C 3802 -2.262 -0.357 -0.995 + 272SER O 3803 -2.286 -0.256 -1.061 + 273PHE N 3804 -2.204 -0.347 -0.873 + 273PHE HN 3805 -2.183 -0.429 -0.820 + 273PHE CA 3806 -2.165 -0.219 -0.817 + 273PHE HA 3807 -2.250 -0.153 -0.830 + 273PHE CB 3808 -2.136 -0.231 -0.665 + 273PHE HB1 3809 -2.051 -0.301 -0.646 + 273PHE HB2 3810 -2.225 -0.271 -0.613 + 273PHE CG 3811 -2.104 -0.097 -0.604 + 273PHE CD1 3812 -2.200 0.006 -0.609 + 273PHE HD1 3813 -2.296 -0.013 -0.655 + 273PHE CE1 3814 -2.172 0.132 -0.555 + 273PHE HE1 3815 -2.246 0.211 -0.560 + 273PHE CZ 3816 -2.049 0.156 -0.494 + 273PHE HZ 3817 -2.027 0.253 -0.453 + 273PHE CD2 3818 -1.980 -0.071 -0.543 + 273PHE HD2 3819 -1.905 -0.149 -0.539 + 273PHE CE2 3820 -1.952 0.054 -0.488 + 273PHE HE2 3821 -1.856 0.072 -0.442 + 273PHE C 3822 -2.049 -0.152 -0.890 + 273PHE O 3823 -2.050 -0.032 -0.918 + 274TYR N 3824 -1.945 -0.229 -0.924 + 274TYR HN 3825 -1.947 -0.328 -0.913 + 274TYR CA 3826 -1.818 -0.172 -0.962 + 274TYR HA 3827 -1.831 -0.073 -1.003 + 274TYR CB 3828 -1.726 -0.168 -0.837 + 274TYR HB1 3829 -1.714 -0.270 -0.795 + 274TYR HB2 3830 -1.776 -0.107 -0.758 + 274TYR CG 3831 -1.589 -0.111 -0.860 + 274TYR CD1 3832 -1.566 0.026 -0.839 + 274TYR HD1 3833 -1.648 0.090 -0.811 + 274TYR CE1 3834 -1.436 0.079 -0.846 + 274TYR HE1 3835 -1.419 0.184 -0.827 + 274TYR CZ 3836 -1.328 -0.005 -0.875 + 274TYR OH 3837 -1.198 0.046 -0.882 + 274TYR HH 3838 -1.139 -0.028 -0.900 + 274TYR CD2 3839 -1.479 -0.194 -0.891 + 274TYR HD2 3840 -1.494 -0.300 -0.905 + 274TYR CE2 3841 -1.350 -0.141 -0.899 + 274TYR HE2 3842 -1.266 -0.206 -0.921 + 274TYR C 3843 -1.761 -0.259 -1.071 + 274TYR O 3844 -1.764 -0.382 -1.061 + 275GLY N 3845 -1.711 -0.197 -1.179 + 275GLY HN 3846 -1.716 -0.098 -1.189 + 275GLY CA 3847 -1.655 -0.271 -1.291 + 275GLY HA1 3848 -1.710 -0.362 -1.306 + 275GLY HA2 3849 -1.550 -0.285 -1.268 + 275GLY C 3850 -1.664 -0.189 -1.418 + 275GLY O 3851 -1.712 -0.078 -1.416 + 276PRO N 3852 -1.617 -0.241 -1.531 + 276PRO CD 3853 -1.539 -0.365 -1.541 + 276PRO HD1 3854 -1.602 -0.441 -1.591 + 276PRO HD2 3855 -1.503 -0.405 -1.443 + 276PRO CA 3856 -1.594 -0.154 -1.647 + 276PRO HA 3857 -1.567 -0.055 -1.614 + 276PRO CB 3858 -1.478 -0.221 -1.724 + 276PRO HB1 3859 -1.401 -0.146 -1.752 + 276PRO HB2 3860 -1.512 -0.274 -1.815 + 276PRO CG 3861 -1.420 -0.326 -1.628 + 276PRO HG1 3862 -1.375 -0.412 -1.680 + 276PRO HG2 3863 -1.342 -0.278 -1.564 + 276PRO C 3864 -1.715 -0.144 -1.736 + 276PRO O 3865 -1.763 -0.245 -1.788 + 277GLY N 3866 -1.763 -0.021 -1.764 + 277GLY HN 3867 -1.726 0.062 -1.719 + 277GLY CA 3868 -1.875 0.002 -1.853 + 277GLY HA1 3869 -1.904 -0.090 -1.903 + 277GLY HA2 3870 -1.846 0.080 -1.922 + 277GLY C 3871 -1.995 0.051 -1.779 + 277GLY O 3872 -2.002 0.056 -1.656 + 278SER N 3873 -2.100 0.085 -1.854 + 278SER HN 3874 -2.098 0.075 -1.954 + 278SER CA 3875 -2.218 0.150 -1.800 + 278SER HA 3876 -2.191 0.208 -1.714 + 278SER CB 3877 -2.279 0.245 -1.906 + 278SER HB1 3878 -2.204 0.325 -1.925 + 278SER HB2 3879 -2.372 0.293 -1.869 + 278SER OG 3880 -2.303 0.176 -2.029 + 278SER HG1 3881 -2.379 0.119 -2.014 + 278SER C 3882 -2.323 0.049 -1.755 + 278SER O 3883 -2.439 0.081 -1.734 + 279SER N 3884 -2.280 -0.076 -1.735 + 279SER HN 3885 -2.186 -0.101 -1.758 + 279SER CA 3886 -2.357 -0.184 -1.678 + 279SER HA 3887 -2.463 -0.166 -1.692 + 279SER CB 3888 -2.316 -0.318 -1.745 + 279SER HB1 3889 -2.357 -0.319 -1.848 + 279SER HB2 3890 -2.359 -0.406 -1.691 + 279SER OG 3891 -2.174 -0.331 -1.753 + 279SER HG1 3892 -2.141 -0.359 -1.666 + 279SER C 3893 -2.333 -0.196 -1.530 + 279SER O 3894 -2.394 -0.279 -1.463 + 280PHE N 3895 -2.244 -0.109 -1.477 + 280PHE HN 3896 -2.199 -0.042 -1.535 + 280PHE CA 3897 -2.204 -0.105 -1.339 + 280PHE HA 3898 -2.258 -0.180 -1.283 + 280PHE CB 3899 -2.052 -0.127 -1.321 + 280PHE HB1 3900 -2.022 -0.119 -1.214 + 280PHE HB2 3901 -1.993 -0.051 -1.379 + 280PHE CG 3902 -2.015 -0.264 -1.371 + 280PHE CD1 3903 -2.010 -0.373 -1.283 + 280PHE HD1 3904 -2.034 -0.358 -1.179 + 280PHE CE1 3905 -1.970 -0.500 -1.327 + 280PHE HE1 3906 -1.963 -0.581 -1.257 + 280PHE CZ 3907 -1.935 -0.518 -1.462 + 280PHE HZ 3908 -1.903 -0.615 -1.496 + 280PHE CD2 3909 -1.978 -0.284 -1.505 + 280PHE HD2 3910 -1.977 -0.200 -1.573 + 280PHE CE2 3911 -1.939 -0.411 -1.551 + 280PHE HE2 3912 -1.911 -0.424 -1.654 + 280PHE C 3913 -2.243 0.029 -1.280 + 280PHE O 3914 -2.253 0.131 -1.350 + 281THR N 3915 -2.274 0.031 -1.150 + 281THR HN 3916 -2.271 -0.055 -1.097 + 281THR CA 3917 -2.312 0.150 -1.075 + 281THR HA 3918 -2.397 0.194 -1.124 + 281THR CB 3919 -2.349 0.117 -0.931 + 281THR HB 3920 -2.259 0.086 -0.873 + 281THR OG1 3921 -2.442 0.009 -0.925 + 281THR HG1 3922 -2.513 0.028 -0.989 + 281THR CG2 3923 -2.415 0.236 -0.861 + 281THR HG21 3924 -2.502 0.272 -0.919 + 281THR HG22 3925 -2.342 0.320 -0.850 + 281THR HG23 3926 -2.448 0.207 -0.759 + 281THR C 3927 -2.202 0.256 -1.075 + 281THR O 3928 -2.227 0.373 -1.100 + 282LEU N 3929 -2.077 0.212 -1.056 + 282LEU HN 3930 -2.061 0.116 -1.031 + 282LEU CA 3931 -1.958 0.292 -1.073 + 282LEU HA 3932 -1.983 0.394 -1.096 + 282LEU CB 3933 -1.867 0.287 -0.947 + 282LEU HB1 3934 -1.774 0.345 -0.965 + 282LEU HB2 3935 -1.838 0.181 -0.928 + 282LEU CG 3936 -1.930 0.343 -0.818 + 282LEU HG 3937 -2.024 0.287 -0.797 + 282LEU CD1 3938 -1.835 0.319 -0.700 + 282LEU HD11 3939 -1.739 0.372 -0.715 + 282LEU HD12 3940 -1.813 0.210 -0.689 + 282LEU HD13 3941 -1.881 0.354 -0.606 + 282LEU CD2 3942 -1.962 0.493 -0.830 + 282LEU HD21 3943 -2.039 0.510 -0.907 + 282LEU HD22 3944 -1.870 0.549 -0.856 + 282LEU HD23 3945 -1.999 0.530 -0.732 + 282LEU C 3946 -1.882 0.234 -1.191 + 282LEU O 3947 -1.841 0.118 -1.192 + 283ASP N 3948 -1.862 0.316 -1.296 + 283ASP HN 3949 -1.889 0.413 -1.291 + 283ASP CA 3950 -1.801 0.276 -1.421 + 283ASP HA 3951 -1.816 0.169 -1.436 + 283ASP CB 3952 -1.869 0.355 -1.536 + 283ASP HB1 3953 -1.863 0.463 -1.512 + 283ASP HB2 3954 -1.977 0.326 -1.538 + 283ASP CG 3955 -1.814 0.336 -1.676 + 283ASP OD1 3956 -1.707 0.270 -1.696 + 283ASP OD2 3957 -1.874 0.395 -1.768 + 283ASP C 3958 -1.651 0.301 -1.410 + 283ASP O 3959 -1.608 0.414 -1.386 + 284THR N 3960 -1.567 0.198 -1.424 + 284THR HN 3961 -1.602 0.105 -1.442 + 284THR CA 3962 -1.424 0.208 -1.395 + 284THR HA 3963 -1.408 0.284 -1.321 + 284THR CB 3964 -1.364 0.078 -1.342 + 284THR HB 3965 -1.255 0.087 -1.326 + 284THR OG1 3966 -1.388 -0.031 -1.430 + 284THR HG1 3967 -1.358 -0.110 -1.383 + 284THR CG2 3968 -1.430 0.044 -1.208 + 284THR HG21 3969 -1.541 0.041 -1.216 + 284THR HG22 3970 -1.402 0.119 -1.131 + 284THR HG23 3971 -1.396 -0.055 -1.171 + 284THR C 3972 -1.345 0.251 -1.517 + 284THR O 3973 -1.222 0.257 -1.515 + 285THR N 3974 -1.415 0.292 -1.625 + 285THR HN 3975 -1.515 0.283 -1.625 + 285THR CA 3976 -1.352 0.351 -1.742 + 285THR HA 3977 -1.251 0.316 -1.750 + 285THR CB 3978 -1.424 0.315 -1.873 + 285THR HB 3979 -1.363 0.352 -1.959 + 285THR OG1 3980 -1.556 0.371 -1.885 + 285THR HG1 3981 -1.610 0.327 -1.816 + 285THR CG2 3982 -1.435 0.162 -1.884 + 285THR HG21 3983 -1.501 0.121 -1.805 + 285THR HG22 3984 -1.335 0.115 -1.874 + 285THR HG23 3985 -1.478 0.134 -1.983 + 285THR C 3986 -1.348 0.502 -1.727 + 285THR O 3987 -1.300 0.574 -1.815 + 286LYS N 3988 -1.396 0.552 -1.612 + 286LYS HN 3989 -1.428 0.488 -1.541 + 286LYS CA 3990 -1.410 0.691 -1.580 + 286LYS HA 3991 -1.352 0.751 -1.648 + 286LYS CB 3992 -1.560 0.733 -1.583 + 286LYS HB1 3993 -1.571 0.839 -1.551 + 286LYS HB2 3994 -1.615 0.669 -1.510 + 286LYS CG 3995 -1.625 0.715 -1.722 + 286LYS HG1 3996 -1.603 0.611 -1.757 + 286LYS HG2 3997 -1.578 0.786 -1.793 + 286LYS CD 3998 -1.778 0.733 -1.720 + 286LYS HD1 3999 -1.801 0.832 -1.676 + 286LYS HD2 4000 -1.822 0.655 -1.652 + 286LYS CE 4001 -1.844 0.722 -1.859 + 286LYS HE1 4002 -1.806 0.804 -1.924 + 286LYS HE2 4003 -1.954 0.732 -1.849 + 286LYS NZ 4004 -1.814 0.592 -1.923 + 286LYS HZ1 4005 -1.847 0.514 -1.859 + 286LYS HZ2 4006 -1.712 0.575 -1.934 + 286LYS HZ3 4007 -1.864 0.578 -2.013 + 286LYS C 4008 -1.356 0.711 -1.440 + 286LYS O 4009 -1.362 0.624 -1.355 + 287LYS N 4010 -1.299 0.832 -1.414 + 287LYS HN 4011 -1.289 0.898 -1.487 + 287LYS CA 4012 -1.253 0.872 -1.283 + 287LYS HA 4013 -1.184 0.796 -1.248 + 287LYS CB 4014 -1.179 1.009 -1.293 + 287LYS HB1 4015 -1.253 1.089 -1.313 + 287LYS HB2 4016 -1.110 1.002 -1.380 + 287LYS CG 4017 -1.093 1.046 -1.170 + 287LYS HG1 4018 -1.015 0.967 -1.159 + 287LYS HG2 4019 -1.155 1.044 -1.078 + 287LYS CD 4020 -1.021 1.182 -1.180 + 287LYS HD1 4021 -0.957 1.182 -1.271 + 287LYS HD2 4022 -0.954 1.189 -1.092 + 287LYS CE 4023 -1.117 1.302 -1.184 + 287LYS HE1 4024 -1.196 1.291 -1.107 + 287LYS HE2 4025 -1.163 1.311 -1.284 + 287LYS NZ 4026 -1.044 1.427 -1.154 + 287LYS HZ1 4027 -0.953 1.427 -1.205 + 287LYS HZ2 4028 -1.030 1.433 -1.050 + 287LYS HZ3 4029 -1.100 1.509 -1.186 + 287LYS C 4030 -1.368 0.878 -1.182 + 287LYS O 4031 -1.481 0.911 -1.214 + 288LEU N 4032 -1.339 0.844 -1.055 + 288LEU HN 4033 -1.247 0.813 -1.029 + 288LEU CA 4034 -1.436 0.847 -0.949 + 288LEU HA 4035 -1.517 0.913 -0.975 + 288LEU CB 4036 -1.494 0.707 -0.913 + 288LEU HB1 4037 -1.548 0.667 -1.001 + 288LEU HB2 4038 -1.570 0.720 -0.832 + 288LEU CG 4039 -1.394 0.599 -0.865 + 288LEU HG 4040 -1.320 0.644 -0.794 + 288LEU CD1 4041 -1.469 0.490 -0.787 + 288LEU HD11 4042 -1.545 0.441 -0.851 + 288LEU HD12 4043 -1.520 0.534 -0.698 + 288LEU HD13 4044 -1.398 0.412 -0.751 + 288LEU CD2 4045 -1.316 0.535 -0.981 + 288LEU HD21 4046 -1.243 0.606 -1.025 + 288LEU HD22 4047 -1.385 0.503 -1.061 + 288LEU HD23 4048 -1.259 0.446 -0.946 + 288LEU C 4049 -1.370 0.907 -0.827 + 288LEU O 4050 -1.247 0.914 -0.817 + 289THR N 4051 -1.452 0.954 -0.733 + 289THR HN 4052 -1.551 0.954 -0.748 + 289THR CA 4053 -1.408 1.009 -0.607 + 289THR HA 4054 -1.301 1.020 -0.605 + 289THR CB 4055 -1.474 1.143 -0.574 + 289THR HB 4056 -1.583 1.127 -0.558 + 289THR OG1 4057 -1.457 1.236 -0.680 + 289THR HG1 4058 -1.361 1.256 -0.681 + 289THR CG2 4059 -1.413 1.208 -0.449 + 289THR HG21 4060 -1.304 1.222 -0.464 + 289THR HG22 4061 -1.429 1.146 -0.358 + 289THR HG23 4062 -1.460 1.307 -0.432 + 289THR C 4063 -1.447 0.908 -0.501 + 289THR O 4064 -1.555 0.853 -0.503 + 290VAL N 4065 -1.355 0.883 -0.406 + 290VAL HN 4066 -1.267 0.931 -0.407 + 290VAL CA 4067 -1.370 0.783 -0.302 + 290VAL HA 4068 -1.469 0.740 -0.304 + 290VAL CB 4069 -1.265 0.673 -0.316 + 290VAL HB 4070 -1.163 0.717 -0.307 + 290VAL CG1 4071 -1.284 0.566 -0.207 + 290VAL HG11 4072 -1.385 0.521 -0.213 + 290VAL HG12 4073 -1.268 0.607 -0.105 + 290VAL HG13 4074 -1.210 0.484 -0.222 + 290VAL CG2 4075 -1.275 0.608 -0.456 + 290VAL HG21 4076 -1.251 0.681 -0.536 + 290VAL HG22 4077 -1.376 0.568 -0.474 + 290VAL HG23 4078 -1.202 0.525 -0.464 + 290VAL C 4079 -1.353 0.857 -0.171 + 290VAL O 4080 -1.252 0.926 -0.150 + 291VAL N 4081 -1.452 0.850 -0.080 + 291VAL HN 4082 -1.535 0.797 -0.097 + 291VAL CA 4083 -1.448 0.921 0.046 + 291VAL HA 4084 -1.352 0.970 0.059 + 291VAL CB 4085 -1.557 1.027 0.060 + 291VAL HB 4086 -1.657 0.979 0.062 + 291VAL CG1 4087 -1.536 1.108 0.190 + 291VAL HG11 4088 -1.433 1.151 0.194 + 291VAL HG12 4089 -1.550 1.045 0.280 + 291VAL HG13 4090 -1.608 1.192 0.196 + 291VAL CG2 4091 -1.552 1.121 -0.063 + 291VAL HG21 4092 -1.582 1.066 -0.155 + 291VAL HG22 4093 -1.450 1.161 -0.077 + 291VAL HG23 4094 -1.622 1.206 -0.049 + 291VAL C 4095 -1.464 0.820 0.157 + 291VAL O 4096 -1.556 0.741 0.161 + 292THR N 4097 -1.368 0.820 0.252 + 292THR HN 4098 -1.295 0.888 0.250 + 292THR CA 4099 -1.365 0.722 0.361 + 292THR HA 4100 -1.453 0.659 0.358 + 292THR CB 4101 -1.242 0.634 0.356 + 292THR HB 4102 -1.150 0.691 0.383 + 292THR OG1 4103 -1.226 0.583 0.224 + 292THR HG1 4104 -1.208 0.662 0.170 + 292THR CG2 4105 -1.257 0.513 0.449 + 292THR HG21 4106 -1.347 0.453 0.423 + 292THR HG22 4107 -1.265 0.545 0.555 + 292THR HG23 4108 -1.168 0.447 0.440 + 292THR C 4109 -1.369 0.800 0.488 + 292THR O 4110 -1.290 0.895 0.506 + 293GLN N 4111 -1.462 0.769 0.579 + 293GLN HN 4112 -1.520 0.688 0.566 + 293GLN CA 4113 -1.489 0.848 0.698 + 293GLN HA 4114 -1.423 0.933 0.703 + 293GLN CB 4115 -1.638 0.894 0.702 + 293GLN HB1 4116 -1.651 0.964 0.787 + 293GLN HB2 4117 -1.702 0.805 0.721 + 293GLN CG 4118 -1.687 0.961 0.571 + 293GLN HG1 4119 -1.675 0.891 0.485 + 293GLN HG2 4120 -1.627 1.051 0.550 + 293GLN CD 4121 -1.836 0.998 0.576 + 293GLN OE1 4122 -1.926 0.913 0.581 + 293GLN NE2 4123 -1.865 1.130 0.574 + 293GLN HE21 4124 -1.789 1.196 0.567 + 293GLN HE22 4125 -1.959 1.158 0.593 + 293GLN C 4126 -1.464 0.758 0.818 + 293GLN O 4127 -1.510 0.647 0.823 + 294PHE N 4128 -1.387 0.810 0.918 + 294PHE HN 4129 -1.347 0.901 0.913 + 294PHE CA 4130 -1.354 0.732 1.036 + 294PHE HA 4131 -1.389 0.630 1.028 + 294PHE CB 4132 -1.202 0.734 1.063 + 294PHE HB1 4133 -1.177 0.682 1.158 + 294PHE HB2 4134 -1.166 0.839 1.069 + 294PHE CG 4135 -1.127 0.669 0.951 + 294PHE CD1 4136 -1.088 0.739 0.836 + 294PHE HD1 4137 -1.114 0.844 0.826 + 294PHE CE1 4138 -1.018 0.675 0.733 + 294PHE HE1 4139 -0.990 0.730 0.644 + 294PHE CZ 4140 -0.985 0.540 0.746 + 294PHE HZ 4141 -0.931 0.488 0.668 + 294PHE CD2 4142 -1.090 0.534 0.964 + 294PHE HD2 4143 -1.117 0.479 1.053 + 294PHE CE2 4144 -1.020 0.470 0.862 + 294PHE HE2 4145 -0.994 0.366 0.873 + 294PHE C 4146 -1.421 0.794 1.156 + 294PHE O 4147 -1.373 0.897 1.209 + 295GLU N 4148 -1.530 0.737 1.207 + 295GLU HN 4149 -1.564 0.649 1.172 + 295GLU CA 4150 -1.601 0.797 1.318 + 295GLU HA 4151 -1.586 0.904 1.312 + 295GLU CB 4152 -1.755 0.777 1.315 + 295GLU HB1 4153 -1.794 0.809 1.215 + 295GLU HB2 4154 -1.798 0.848 1.389 + 295GLU CG 4155 -1.807 0.636 1.346 + 295GLU HG1 4156 -1.736 0.580 1.411 + 295GLU HG2 4157 -1.819 0.576 1.253 + 295GLU CD 4158 -1.939 0.641 1.422 + 295GLU OE1 4159 -2.041 0.700 1.369 + 295GLU OE2 4160 -1.941 0.594 1.536 + 295GLU C 4161 -1.542 0.755 1.451 + 295GLU O 4162 -1.453 0.670 1.463 + 296THR N 4163 -1.589 0.817 1.560 + 296THR HN 4164 -1.666 0.880 1.554 + 296THR CA 4165 -1.525 0.810 1.691 + 296THR HA 4166 -1.418 0.809 1.674 + 296THR CB 4167 -1.555 0.932 1.777 + 296THR HB 4168 -1.514 0.920 1.880 + 296THR OG1 4169 -1.695 0.958 1.785 + 296THR HG1 4170 -1.704 1.051 1.806 + 296THR CG2 4171 -1.486 1.052 1.711 + 296THR HG21 4172 -1.528 1.072 1.610 + 296THR HG22 4173 -1.378 1.030 1.697 + 296THR HG23 4174 -1.497 1.144 1.772 + 296THR C 4175 -1.554 0.685 1.769 + 296THR O 4176 -1.489 0.658 1.870 + 297SER N 4177 -1.651 0.602 1.727 + 297SER HN 4178 -1.709 0.624 1.648 + 297SER CA 4179 -1.664 0.466 1.779 + 297SER HA 4180 -1.669 0.474 1.887 + 297SER CB 4181 -1.793 0.395 1.731 + 297SER HB1 4182 -1.880 0.458 1.761 + 297SER HB2 4183 -1.804 0.296 1.778 + 297SER OG 4184 -1.798 0.383 1.588 + 297SER HG1 4185 -1.857 0.454 1.557 + 297SER C 4186 -1.542 0.380 1.748 + 297SER O 4187 -1.483 0.318 1.836 + 298GLY N 4188 -1.497 0.388 1.620 + 298GLY HN 4189 -1.542 0.452 1.559 + 298GLY CA 4190 -1.394 0.307 1.558 + 298GLY HA1 4191 -1.365 0.225 1.622 + 298GLY HA2 4192 -1.312 0.372 1.531 + 298GLY C 4193 -1.445 0.247 1.430 + 298GLY O 4194 -1.373 0.174 1.362 + 299ALA N 4195 -1.571 0.276 1.393 + 299ALA HN 4196 -1.631 0.331 1.451 + 299ALA CA 4197 -1.632 0.233 1.270 + 299ALA HA 4198 -1.598 0.132 1.248 + 299ALA CB 4199 -1.786 0.230 1.282 + 299ALA HB1 4200 -1.826 0.332 1.300 + 299ALA HB2 4201 -1.816 0.166 1.367 + 299ALA HB3 4202 -1.833 0.190 1.190 + 299ALA C 4203 -1.593 0.318 1.151 + 299ALA O 4204 -1.557 0.437 1.164 + 300ILE N 4205 -1.599 0.259 1.031 + 300ILE HN 4206 -1.633 0.164 1.023 + 300ILE CA 4207 -1.555 0.321 0.908 + 300ILE HA 4208 -1.528 0.424 0.927 + 300ILE CB 4209 -1.434 0.250 0.847 + 300ILE HB 4210 -1.463 0.148 0.814 + 300ILE CG2 4211 -1.385 0.330 0.723 + 300ILE HG21 4212 -1.354 0.432 0.753 + 300ILE HG22 4213 -1.465 0.338 0.646 + 300ILE HG23 4214 -1.299 0.279 0.676 + 300ILE CG1 4215 -1.321 0.233 0.952 + 300ILE HG11 4216 -1.360 0.181 1.042 + 300ILE HG12 4217 -1.286 0.334 0.984 + 300ILE CD 4218 -1.202 0.150 0.902 + 300ILE HD1 4219 -1.152 0.199 0.816 + 300ILE HD2 4220 -1.235 0.049 0.870 + 300ILE HD3 4221 -1.126 0.138 0.983 + 300ILE C 4222 -1.674 0.322 0.813 + 300ILE O 4223 -1.738 0.223 0.785 + 301ASN N 4224 -1.707 0.443 0.760 + 301ASN HN 4225 -1.650 0.522 0.783 + 301ASN CA 4226 -1.810 0.460 0.660 + 301ASN HA 4227 -1.863 0.366 0.647 + 301ASN CB 4228 -1.912 0.572 0.695 + 301ASN HB1 4229 -1.992 0.579 0.619 + 301ASN HB2 4230 -1.860 0.669 0.700 + 301ASN CG 4231 -1.977 0.552 0.832 + 301ASN OD1 4232 -1.956 0.634 0.922 + 301ASN ND2 4233 -2.063 0.449 0.844 + 301ASN HD21 4234 -2.100 0.428 0.937 + 301ASN HD22 4235 -2.077 0.384 0.771 + 301ASN C 4236 -1.745 0.493 0.527 + 301ASN O 4237 -1.630 0.539 0.520 + 302ARG N 4238 -1.818 0.474 0.418 + 302ARG HN 4239 -1.911 0.438 0.422 + 302ARG CA 4240 -1.766 0.493 0.284 + 302ARG HA 4241 -1.690 0.570 0.286 + 302ARG CB 4242 -1.702 0.361 0.234 + 302ARG HB1 4243 -1.768 0.277 0.266 + 302ARG HB2 4244 -1.605 0.346 0.287 + 302ARG CG 4245 -1.680 0.343 0.081 + 302ARG HG1 4246 -1.778 0.350 0.030 + 302ARG HG2 4247 -1.645 0.239 0.064 + 302ARG CD 4248 -1.582 0.438 0.013 + 302ARG HD1 4249 -1.609 0.544 0.031 + 302ARG HD2 4250 -1.580 0.423 -0.097 + 302ARG NE 4251 -1.444 0.415 0.069 + 302ARG HE 4252 -1.406 0.478 0.135 + 302ARG CZ 4253 -1.361 0.322 0.023 + 302ARG NH1 4254 -1.389 0.232 -0.066 + 302ARG HH11 4255 -1.483 0.221 -0.101 + 302ARG HH12 4256 -1.324 0.162 -0.096 + 302ARG NH2 4257 -1.238 0.327 0.076 + 302ARG HH21 4258 -1.217 0.397 0.142 + 302ARG HH22 4259 -1.168 0.261 0.048 + 302ARG C 4260 -1.876 0.543 0.192 + 302ARG O 4261 -1.989 0.500 0.198 + 303TYR N 4262 -1.840 0.640 0.104 + 303TYR HN 4263 -1.749 0.679 0.104 + 303TYR CA 4264 -1.926 0.677 -0.006 + 303TYR HA 4265 -1.981 0.590 -0.038 + 303TYR CB 4266 -2.028 0.791 0.027 + 303TYR HB1 4267 -2.085 0.761 0.118 + 303TYR HB2 4268 -2.102 0.799 -0.055 + 303TYR CG 4269 -1.969 0.928 0.051 + 303TYR CD1 4270 -1.956 1.018 -0.056 + 303TYR HD1 4271 -1.979 0.986 -0.157 + 303TYR CE1 4272 -1.915 1.151 -0.034 + 303TYR HE1 4273 -1.905 1.219 -0.116 + 303TYR CZ 4274 -1.886 1.193 0.096 + 303TYR OH 4275 -1.848 1.327 0.119 + 303TYR HH 4276 -1.815 1.334 0.210 + 303TYR CD2 4277 -1.939 0.972 0.180 + 303TYR HD2 4278 -1.950 0.903 0.263 + 303TYR CE2 4279 -1.897 1.104 0.203 + 303TYR HE2 4280 -1.873 1.136 0.303 + 303TYR C 4281 -1.837 0.712 -0.123 + 303TYR O 4282 -1.714 0.733 -0.108 + 304TYR N 4283 -1.894 0.716 -0.242 + 304TYR HN 4284 -1.994 0.698 -0.250 + 304TYR CA 4285 -1.826 0.738 -0.366 + 304TYR HA 4286 -1.726 0.774 -0.348 + 304TYR CB 4287 -1.825 0.613 -0.459 + 304TYR HB1 4288 -1.759 0.631 -0.547 + 304TYR HB2 4289 -1.927 0.591 -0.497 + 304TYR CG 4290 -1.778 0.488 -0.388 + 304TYR CD1 4291 -1.864 0.415 -0.304 + 304TYR HD1 4292 -1.965 0.450 -0.287 + 304TYR CE1 4293 -1.819 0.298 -0.241 + 304TYR HE1 4294 -1.885 0.244 -0.173 + 304TYR CZ 4295 -1.691 0.250 -0.264 + 304TYR OH 4296 -1.638 0.139 -0.192 + 304TYR HH 4297 -1.602 0.074 -0.254 + 304TYR CD2 4298 -1.650 0.437 -0.413 + 304TYR HD2 4299 -1.583 0.488 -0.480 + 304TYR CE2 4300 -1.606 0.317 -0.352 + 304TYR HE2 4301 -1.507 0.279 -0.371 + 304TYR C 4302 -1.906 0.846 -0.436 + 304TYR O 4303 -2.025 0.862 -0.414 + 305VAL N 4304 -1.839 0.923 -0.524 + 305VAL HN 4305 -1.742 0.909 -0.540 + 305VAL CA 4306 -1.909 1.019 -0.608 + 305VAL HA 4307 -2.014 0.998 -0.608 + 305VAL CB 4308 -1.890 1.166 -0.567 + 305VAL HB 4309 -1.783 1.196 -0.580 + 305VAL CG1 4310 -1.977 1.258 -0.655 + 305VAL HG11 4311 -2.085 1.231 -0.645 + 305VAL HG12 4312 -1.948 1.251 -0.762 + 305VAL HG13 4313 -1.964 1.363 -0.623 + 305VAL CG2 4314 -1.926 1.184 -0.419 + 305VAL HG21 4315 -1.855 1.128 -0.354 + 305VAL HG22 4316 -2.029 1.148 -0.398 + 305VAL HG23 4317 -1.920 1.291 -0.390 + 305VAL C 4318 -1.859 0.997 -0.748 + 305VAL O 4319 -1.737 0.999 -0.774 + 306GLN N 4320 -1.948 0.975 -0.845 + 306GLN HN 4321 -2.046 0.966 -0.823 + 306GLN CA 4322 -1.909 0.973 -0.984 + 306GLN HA 4323 -1.817 1.028 -0.996 + 306GLN CB 4324 -1.886 0.831 -1.040 + 306GLN HB1 4325 -1.979 0.770 -1.028 + 306GLN HB2 4326 -1.808 0.783 -0.977 + 306GLN CG 4327 -1.840 0.830 -1.187 + 306GLN HG1 4328 -1.753 0.898 -1.200 + 306GLN HG2 4329 -1.922 0.866 -1.253 + 306GLN CD 4330 -1.802 0.690 -1.235 + 306GLN OE1 4331 -1.890 0.609 -1.269 + 306GLN NE2 4332 -1.671 0.660 -1.239 + 306GLN HE21 4333 -1.643 0.568 -1.270 + 306GLN HE22 4334 -1.602 0.728 -1.214 + 306GLN C 4335 -2.013 1.047 -1.065 + 306GLN O 4336 -2.132 1.022 -1.058 + 307ASN N 4337 -1.967 1.148 -1.142 + 307ASN HN 4338 -1.869 1.165 -1.140 + 307ASN CA 4339 -2.049 1.230 -1.229 + 307ASN HA 4340 -1.982 1.301 -1.274 + 307ASN CB 4341 -2.118 1.150 -1.344 + 307ASN HB1 4342 -2.176 1.219 -1.409 + 307ASN HB2 4343 -2.188 1.075 -1.301 + 307ASN CG 4344 -2.013 1.082 -1.431 + 307ASN OD1 4345 -1.898 1.124 -1.437 + 307ASN ND2 4346 -2.055 0.975 -1.501 + 307ASN HD21 4347 -1.984 0.918 -1.545 + 307ASN HD22 4348 -2.149 0.944 -1.495 + 307ASN C 4349 -2.149 1.317 -1.153 + 307ASN O 4350 -2.254 1.356 -1.205 + 308GLY N 4351 -2.114 1.350 -1.027 + 308GLY HN 4352 -2.029 1.313 -0.992 + 308GLY CA 4353 -2.192 1.436 -0.938 + 308GLY HA1 4354 -2.246 1.509 -0.996 + 308GLY HA2 4355 -2.122 1.478 -0.868 + 308GLY C 4356 -2.293 1.360 -0.857 + 308GLY O 4357 -2.365 1.417 -0.776 + 309VAL N 4358 -2.298 1.227 -0.877 + 309VAL HN 4359 -2.232 1.182 -0.937 + 309VAL CA 4360 -2.397 1.140 -0.820 + 309VAL HA 4361 -2.481 1.197 -0.782 + 309VAL CB 4362 -2.446 1.036 -0.920 + 309VAL HB 4363 -2.361 0.971 -0.952 + 309VAL CG1 4364 -2.555 0.948 -0.856 + 309VAL HG11 4365 -2.639 1.010 -0.819 + 309VAL HG12 4366 -2.515 0.886 -0.773 + 309VAL HG13 4367 -2.595 0.878 -0.932 + 309VAL CG2 4368 -2.502 1.106 -1.046 + 309VAL HG21 4369 -2.435 1.187 -1.082 + 309VAL HG22 4370 -2.603 1.147 -1.025 + 309VAL HG23 4371 -2.512 1.031 -1.127 + 309VAL C 4372 -2.330 1.070 -0.705 + 309VAL O 4373 -2.224 1.010 -0.720 + 310THR N 4374 -2.390 1.080 -0.585 + 310THR HN 4375 -2.478 1.125 -0.576 + 310THR CA 4376 -2.333 1.022 -0.464 + 310THR HA 4377 -2.227 1.010 -0.477 + 310THR CB 4378 -2.355 1.110 -0.343 + 310THR HB 4379 -2.464 1.127 -0.326 + 310THR OG1 4380 -2.293 1.237 -0.364 + 310THR HG1 4381 -2.316 1.262 -0.454 + 310THR CG2 4382 -2.292 1.050 -0.216 + 310THR HG21 4383 -2.186 1.024 -0.235 + 310THR HG22 4384 -2.346 0.959 -0.183 + 310THR HG23 4385 -2.296 1.123 -0.133 + 310THR C 4386 -2.393 0.885 -0.441 + 310THR O 4387 -2.513 0.865 -0.440 + 311PHE N 4388 -2.304 0.785 -0.421 + 311PHE HN 4389 -2.206 0.804 -0.422 + 311PHE CA 4390 -2.342 0.649 -0.391 + 311PHE HA 4391 -2.450 0.639 -0.384 + 311PHE CB 4392 -2.286 0.547 -0.494 + 311PHE HB1 4393 -2.318 0.444 -0.468 + 311PHE HB2 4394 -2.175 0.549 -0.495 + 311PHE CG 4395 -2.336 0.579 -0.632 + 311PHE CD1 4396 -2.458 0.528 -0.677 + 311PHE HD1 4397 -2.519 0.468 -0.611 + 311PHE CE1 4398 -2.502 0.551 -0.809 + 311PHE HE1 4399 -2.596 0.511 -0.842 + 311PHE CZ 4400 -2.421 0.624 -0.897 + 311PHE HZ 4401 -2.453 0.639 -0.999 + 311PHE CD2 4402 -2.257 0.654 -0.721 + 311PHE HD2 4403 -2.162 0.693 -0.688 + 311PHE CE2 4404 -2.299 0.676 -0.853 + 311PHE HE2 4405 -2.236 0.732 -0.921 + 311PHE C 4406 -2.283 0.618 -0.257 + 311PHE O 4407 -2.162 0.633 -0.236 + 312GLN N 4408 -2.364 0.575 -0.160 + 312GLN HN 4409 -2.461 0.563 -0.177 + 312GLN CA 4410 -2.314 0.516 -0.037 + 312GLN HA 4411 -2.235 0.578 0.002 + 312GLN CB 4412 -2.429 0.502 0.067 + 312GLN HB1 4413 -2.499 0.421 0.034 + 312GLN HB2 4414 -2.487 0.597 0.066 + 312GLN CG 4415 -2.385 0.475 0.213 + 312GLN HG1 4416 -2.324 0.382 0.217 + 312GLN HG2 4417 -2.476 0.459 0.274 + 312GLN CD 4418 -2.306 0.591 0.274 + 312GLN OE1 4419 -2.307 0.705 0.228 + 312GLN NE2 4420 -2.240 0.563 0.389 + 312GLN HE21 4421 -2.181 0.635 0.424 + 312GLN HE22 4422 -2.234 0.468 0.420 + 312GLN C 4423 -2.257 0.379 -0.071 + 312GLN O 4424 -2.300 0.317 -0.168 + 313GLN N 4425 -2.159 0.329 0.008 + 313GLN HN 4426 -2.118 0.385 0.079 + 313GLN CA 4427 -2.122 0.187 0.013 + 313GLN HA 4428 -2.056 0.169 -0.070 + 313GLN CB 4429 -2.045 0.162 0.146 + 313GLN HB1 4430 -2.115 0.180 0.231 + 313GLN HB2 4431 -1.965 0.238 0.154 + 313GLN CG 4432 -1.982 0.022 0.166 + 313GLN HG1 4433 -2.054 -0.058 0.142 + 313GLN HG2 4434 -1.952 0.009 0.272 + 313GLN CD 4435 -1.860 0.003 0.075 + 313GLN OE1 4436 -1.875 -0.005 -0.046 + 313GLN NE2 4437 -1.738 -0.002 0.134 + 313GLN HE21 4438 -1.661 -0.021 0.074 + 313GLN HE22 4439 -1.730 -0.007 0.233 + 313GLN C 4440 -2.244 0.094 0.004 + 313GLN O 4441 -2.340 0.118 0.075 + 314PRO N 4442 -2.251 -0.009 -0.083 + 314PRO CD 4443 -2.161 -0.034 -0.194 + 314PRO HD1 4444 -2.072 -0.091 -0.158 + 314PRO HD2 4445 -2.128 0.061 -0.243 + 314PRO CA 4446 -2.364 -0.100 -0.085 + 314PRO HA 4447 -2.451 -0.040 -0.109 + 314PRO CB 4448 -2.331 -0.201 -0.195 + 314PRO HB1 4449 -2.422 -0.241 -0.243 + 314PRO HB2 4450 -2.270 -0.286 -0.154 + 314PRO CG 4451 -2.243 -0.120 -0.290 + 314PRO HG1 4452 -2.179 -0.184 -0.354 + 314PRO HG2 4453 -2.306 -0.054 -0.354 + 314PRO C 4454 -2.392 -0.167 0.047 + 314PRO O 4455 -2.299 -0.198 0.121 + 315ASN N 4456 -2.520 -0.194 0.078 + 315ASN HN 4457 -2.594 -0.158 0.024 + 315ASN CA 4458 -2.554 -0.289 0.181 + 315ASN HA 4459 -2.500 -0.259 0.270 + 315ASN CB 4460 -2.706 -0.296 0.211 + 315ASN HB1 4461 -2.730 -0.388 0.267 + 315ASN HB2 4462 -2.763 -0.298 0.116 + 315ASN CG 4463 -2.748 -0.174 0.292 + 315ASN OD1 4464 -2.734 -0.058 0.252 + 315ASN ND2 4465 -2.806 -0.199 0.411 + 315ASN HD21 4466 -2.835 -0.124 0.470 + 315ASN HD22 4467 -2.832 -0.293 0.436 + 315ASN C 4468 -2.503 -0.428 0.147 + 315ASN O 4469 -2.507 -0.471 0.030 + 316ALA N 4470 -2.455 -0.496 0.250 + 316ALA HN 4471 -2.450 -0.455 0.341 + 316ALA CA 4472 -2.411 -0.632 0.246 + 316ALA HA 4473 -2.435 -0.678 0.151 + 316ALA CB 4474 -2.260 -0.638 0.274 + 316ALA HB1 4475 -2.235 -0.588 0.370 + 316ALA HB2 4476 -2.204 -0.586 0.193 + 316ALA HB3 4477 -2.223 -0.743 0.279 + 316ALA C 4478 -2.489 -0.700 0.356 + 316ALA O 4479 -2.507 -0.647 0.463 + 317GLU N 4480 -2.540 -0.822 0.326 + 317GLU HN 4481 -2.529 -0.863 0.237 + 317GLU CA 4482 -2.610 -0.900 0.425 + 317GLU HA 4483 -2.613 -0.849 0.521 + 317GLU CB 4484 -2.755 -0.934 0.382 + 317GLU HB1 4485 -2.803 -0.988 0.468 + 317GLU HB2 4486 -2.754 -1.001 0.294 + 317GLU CG 4487 -2.837 -0.807 0.348 + 317GLU HG1 4488 -2.807 -0.767 0.249 + 317GLU HG2 4489 -2.816 -0.729 0.425 + 317GLU CD 4490 -2.988 -0.831 0.349 + 317GLU OE1 4491 -3.040 -0.859 0.458 + 317GLU OE2 4492 -3.053 -0.812 0.241 + 317GLU C 4493 -2.527 -1.024 0.443 + 317GLU O 4494 -2.507 -1.103 0.348 + 318LEU N 4495 -2.470 -1.042 0.562 + 318LEU HN 4496 -2.495 -0.981 0.638 + 318LEU CA 4497 -2.371 -1.142 0.588 + 318LEU HA 4498 -2.380 -1.223 0.517 + 318LEU CB 4499 -2.230 -1.077 0.578 + 318LEU HB1 4500 -2.220 -0.999 0.658 + 318LEU HB2 4501 -2.225 -1.024 0.481 + 318LEU CG 4502 -2.109 -1.172 0.584 + 318LEU HG 4503 -2.113 -1.230 0.679 + 318LEU CD1 4504 -2.108 -1.270 0.467 + 318LEU HD11 4505 -2.107 -1.215 0.370 + 318LEU HD12 4506 -2.197 -1.337 0.468 + 318LEU HD13 4507 -2.017 -1.334 0.472 + 318LEU CD2 4508 -1.980 -1.090 0.585 + 318LEU HD21 4509 -1.969 -1.032 0.679 + 318LEU HD22 4510 -1.978 -1.018 0.500 + 318LEU HD23 4511 -1.891 -1.156 0.574 + 318LEU C 4512 -2.400 -1.195 0.727 + 318LEU O 4513 -2.394 -1.123 0.825 + 319GLY N 4514 -2.437 -1.325 0.740 + 319GLY HN 4515 -2.440 -1.384 0.660 + 319GLY CA 4516 -2.472 -1.382 0.870 + 319GLY HA1 4517 -2.386 -1.372 0.934 + 319GLY HA2 4518 -2.497 -1.486 0.852 + 319GLY C 4519 -2.591 -1.319 0.939 + 319GLY O 4520 -2.705 -1.327 0.895 + 320SER N 4521 -2.568 -1.257 1.057 + 320SER HN 4522 -2.476 -1.258 1.095 + 320SER CA 4523 -2.669 -1.183 1.130 + 320SER HA 4524 -2.768 -1.209 1.095 + 320SER CB 4525 -2.661 -1.212 1.283 + 320SER HB1 4526 -2.681 -1.320 1.296 + 320SER HB2 4527 -2.740 -1.156 1.339 + 320SER OG 4528 -2.532 -1.185 1.339 + 320SER HG1 4529 -2.509 -1.094 1.316 + 320SER C 4530 -2.656 -1.033 1.112 + 320SER O 4531 -2.729 -0.955 1.171 + 321TYR N 4532 -2.559 -0.992 1.027 + 321TYR HN 4533 -2.506 -1.058 0.974 + 321TYR CA 4534 -2.532 -0.855 0.994 + 321TYR HA 4535 -2.568 -0.791 1.074 + 321TYR CB 4536 -2.378 -0.831 0.980 + 321TYR HB1 4537 -2.335 -0.905 0.910 + 321TYR HB2 4538 -2.329 -0.846 1.079 + 321TYR CG 4539 -2.343 -0.694 0.929 + 321TYR CD1 4540 -2.327 -0.670 0.791 + 321TYR HD1 4541 -2.337 -0.752 0.721 + 321TYR CE1 4542 -2.303 -0.540 0.744 + 321TYR HE1 4543 -2.293 -0.522 0.638 + 321TYR CZ 4544 -2.292 -0.435 0.835 + 321TYR OH 4545 -2.270 -0.301 0.795 + 321TYR HH 4546 -2.209 -0.264 0.859 + 321TYR CD2 4547 -2.328 -0.588 1.019 + 321TYR HD2 4548 -2.338 -0.605 1.125 + 321TYR CE2 4549 -2.301 -0.459 0.972 + 321TYR HE2 4550 -2.289 -0.378 1.042 + 321TYR C 4551 -2.610 -0.812 0.870 + 321TYR O 4552 -2.629 -0.889 0.774 + 322SER N 4553 -2.654 -0.687 0.868 + 322SER HN 4554 -2.632 -0.627 0.944 + 322SER CA 4555 -2.707 -0.620 0.751 + 322SER HA 4556 -2.659 -0.658 0.662 + 322SER CB 4557 -2.861 -0.629 0.739 + 322SER HB1 4558 -2.910 -0.580 0.826 + 322SER HB2 4559 -2.891 -0.736 0.739 + 322SER OG 4560 -2.907 -0.568 0.618 + 322SER HG1 4561 -2.932 -0.641 0.559 + 322SER C 4562 -2.666 -0.476 0.774 + 322SER O 4563 -2.669 -0.428 0.885 + 323GLY N 4564 -2.621 -0.408 0.665 + 323GLY HN 4565 -2.607 -0.456 0.579 + 323GLY CA 4566 -2.578 -0.269 0.673 + 323GLY HA1 4567 -2.533 -0.250 0.769 + 323GLY HA2 4568 -2.663 -0.206 0.651 + 323GLY C 4569 -2.474 -0.240 0.569 + 323GLY O 4570 -2.440 -0.326 0.486 + 324ASN N 4571 -2.423 -0.116 0.567 + 324ASN HN 4572 -2.457 -0.048 0.632 + 324ASN CA 4573 -2.320 -0.069 0.475 + 324ASN HA 4574 -2.280 -0.153 0.419 + 324ASN CB 4575 -2.383 0.030 0.374 + 324ASN HB1 4576 -2.454 -0.027 0.311 + 324ASN HB2 4577 -2.304 0.071 0.308 + 324ASN CG 4578 -2.458 0.147 0.438 + 324ASN OD1 4579 -2.446 0.184 0.556 + 324ASN ND2 4580 -2.547 0.209 0.357 + 324ASN HD21 4581 -2.554 0.177 0.263 + 324ASN HD22 4582 -2.605 0.279 0.397 + 324ASN C 4583 -2.203 -0.005 0.547 + 324ASN O 4584 -2.129 0.079 0.491 + 325GLU N 4585 -2.183 -0.039 0.674 + 325GLU HN 4586 -2.236 -0.116 0.712 + 325GLU CA 4587 -2.086 0.022 0.762 + 325GLU HA 4588 -2.027 0.094 0.708 + 325GLU CB 4589 -2.157 0.091 0.881 + 325GLU HB1 4590 -2.229 0.019 0.924 + 325GLU HB2 4591 -2.216 0.176 0.839 + 325GLU CG 4592 -2.066 0.142 0.996 + 325GLU HG1 4593 -1.990 0.214 0.959 + 325GLU HG2 4594 -2.012 0.058 1.042 + 325GLU CD 4595 -2.150 0.210 1.104 + 325GLU OE1 4596 -2.157 0.154 1.216 + 325GLU OE2 4597 -2.214 0.316 1.075 + 325GLU C 4598 -1.990 -0.084 0.814 + 325GLU O 4599 -2.032 -0.183 0.871 + 326LEU N 4600 -1.858 -0.061 0.794 + 326LEU HN 4601 -1.824 0.022 0.752 + 326LEU CA 4602 -1.755 -0.149 0.846 + 326LEU HA 4603 -1.786 -0.252 0.830 + 326LEU CB 4604 -1.622 -0.125 0.771 + 326LEU HB1 4605 -1.576 -0.029 0.803 + 326LEU HB2 4606 -1.648 -0.114 0.663 + 326LEU CG 4607 -1.517 -0.238 0.777 + 326LEU HG 4608 -1.567 -0.335 0.753 + 326LEU CD1 4609 -1.410 -0.215 0.668 + 326LEU HD11 4610 -1.353 -0.122 0.687 + 326LEU HD12 4611 -1.457 -0.208 0.567 + 326LEU HD13 4612 -1.339 -0.300 0.666 + 326LEU CD2 4613 -1.448 -0.253 0.914 + 326LEU HD21 4614 -1.520 -0.282 0.992 + 326LEU HD22 4615 -1.398 -0.158 0.943 + 326LEU HD23 4616 -1.371 -0.333 0.907 + 326LEU C 4617 -1.745 -0.123 0.996 + 326LEU O 4618 -1.704 -0.016 1.042 + 327ASN N 4619 -1.787 -0.222 1.076 + 327ASN HN 4620 -1.818 -0.308 1.037 + 327ASN CA 4621 -1.801 -0.209 1.219 + 327ASN HA 4622 -1.723 -0.145 1.255 + 327ASN CB 4623 -1.939 -0.148 1.262 + 327ASN HB1 4624 -1.943 -0.044 1.222 + 327ASN HB2 4625 -1.945 -0.142 1.372 + 327ASN CG 4626 -2.062 -0.224 1.212 + 327ASN OD1 4627 -2.059 -0.341 1.176 + 327ASN ND2 4628 -2.177 -0.152 1.214 + 327ASN HD21 4629 -2.175 -0.055 1.234 + 327ASN HD22 4630 -2.261 -0.200 1.186 + 327ASN C 4631 -1.775 -0.346 1.279 + 327ASN O 4632 -1.757 -0.445 1.207 + 328ASP N 4633 -1.770 -0.358 1.413 + 328ASP HN 4634 -1.779 -0.279 1.473 + 328ASP CA 4635 -1.741 -0.483 1.481 + 328ASP HA 4636 -1.644 -0.517 1.446 + 328ASP CB 4637 -1.735 -0.461 1.635 + 328ASP HB1 4638 -1.719 -0.559 1.686 + 328ASP HB2 4639 -1.831 -0.418 1.670 + 328ASP CG 4640 -1.622 -0.368 1.677 + 328ASP OD1 4641 -1.504 -0.414 1.681 + 328ASP OD2 4642 -1.653 -0.250 1.706 + 328ASP C 4643 -1.841 -0.594 1.448 + 328ASP O 4644 -1.801 -0.711 1.432 + 329ASP N 4645 -1.972 -0.561 1.434 + 329ASP HN 4646 -2.002 -0.468 1.449 + 329ASP CA 4647 -2.076 -0.654 1.393 + 329ASP HA 4648 -2.073 -0.737 1.462 + 329ASP CB 4649 -2.220 -0.590 1.397 + 329ASP HB1 4650 -2.292 -0.662 1.352 + 329ASP HB2 4651 -2.221 -0.497 1.337 + 329ASP CG 4652 -2.276 -0.559 1.536 + 329ASP OD1 4653 -2.211 -0.596 1.638 + 329ASP OD2 4654 -2.389 -0.504 1.543 + 329ASP C 4655 -2.050 -0.712 1.255 + 329ASP O 4656 -2.065 -0.835 1.236 + 330TYR N 4657 -2.009 -0.632 1.155 + 330TYR HN 4658 -2.001 -0.532 1.170 + 330TYR CA 4659 -1.967 -0.678 1.023 + 330TYR HA 4660 -2.049 -0.736 0.981 + 330TYR CB 4661 -1.938 -0.558 0.927 + 330TYR HB1 4662 -1.870 -0.487 0.977 + 330TYR HB2 4663 -2.032 -0.503 0.904 + 330TYR CG 4664 -1.875 -0.600 0.796 + 330TYR CD1 4665 -1.949 -0.670 0.699 + 330TYR HD1 4666 -2.054 -0.688 0.715 + 330TYR CE1 4667 -1.887 -0.720 0.584 + 330TYR HE1 4668 -1.944 -0.776 0.511 + 330TYR CZ 4669 -1.750 -0.703 0.565 + 330TYR OH 4670 -1.687 -0.758 0.452 + 330TYR HH 4671 -1.592 -0.771 0.469 + 330TYR CD2 4672 -1.738 -0.579 0.773 + 330TYR HD2 4673 -1.678 -0.527 0.846 + 330TYR CE2 4674 -1.675 -0.631 0.659 + 330TYR HE2 4675 -1.568 -0.620 0.644 + 330TYR C 4676 -1.849 -0.774 1.029 + 330TYR O 4677 -1.853 -0.883 0.974 + 331CYS N 4678 -1.742 -0.736 1.102 + 331CYS HN 4679 -1.742 -0.648 1.148 + 331CYS CA 4680 -1.619 -0.815 1.108 + 331CYS HA 4681 -1.591 -0.840 1.007 + 331CYS CB 4682 -1.506 -0.734 1.175 + 331CYS HB1 4683 -1.413 -0.795 1.176 + 331CYS HB2 4684 -1.535 -0.710 1.280 + 331CYS SG 4685 -1.474 -0.579 1.087 + 331CYS C 4686 -1.638 -0.945 1.181 + 331CYS O 4687 -1.584 -1.051 1.141 + 332THR N 4688 -1.718 -0.946 1.287 + 332THR HN 4689 -1.761 -0.859 1.315 + 332THR CA 4690 -1.757 -1.067 1.360 + 332THR HA 4691 -1.666 -1.118 1.390 + 332THR CB 4692 -1.841 -1.035 1.484 + 332THR HB 4693 -1.936 -0.985 1.454 + 332THR OG1 4694 -1.771 -0.947 1.572 + 332THR HG1 4695 -1.764 -0.863 1.523 + 332THR CG2 4696 -1.872 -1.163 1.564 + 332THR HG21 4697 -1.777 -1.211 1.595 + 332THR HG22 4698 -1.929 -1.235 1.503 + 332THR HG23 4699 -1.930 -1.138 1.655 + 332THR C 4700 -1.837 -1.161 1.272 + 332THR O 4701 -1.816 -1.284 1.271 + 333ALA N 4702 -1.931 -1.107 1.194 + 333ALA HN 4703 -1.946 -1.008 1.193 + 333ALA CA 4704 -2.007 -1.182 1.095 + 333ALA HA 4705 -2.053 -1.265 1.145 + 333ALA CB 4706 -2.116 -1.092 1.033 + 333ALA HB1 4707 -2.071 -1.005 0.980 + 333ALA HB2 4708 -2.183 -1.052 1.113 + 333ALA HB3 4709 -2.177 -1.149 0.960 + 333ALA C 4710 -1.921 -1.237 0.984 + 333ALA O 4711 -1.937 -1.357 0.946 + 334GLU N 4712 -1.826 -1.161 0.931 + 334GLU HN 4713 -1.816 -1.064 0.959 + 334GLU CA 4714 -1.736 -1.202 0.826 + 334GLU HA 4715 -1.795 -1.236 0.743 + 334GLU CB 4716 -1.650 -1.083 0.780 + 334GLU HB1 4717 -1.584 -1.048 0.861 + 334GLU HB2 4718 -1.717 -0.998 0.753 + 334GLU CG 4719 -1.565 -1.119 0.655 + 334GLU HG1 4720 -1.633 -1.148 0.573 + 334GLU HG2 4721 -1.494 -1.201 0.674 + 334GLU CD 4722 -1.485 -0.999 0.606 + 334GLU OE1 4723 -1.466 -0.903 0.680 + 334GLU OE2 4724 -1.446 -1.010 0.484 + 334GLU C 4725 -1.648 -1.320 0.865 + 334GLU O 4726 -1.639 -1.419 0.794 + 335GLU N 4727 -1.589 -1.316 0.987 + 335GLU HN 4728 -1.594 -1.233 1.042 + 335GLU CA 4729 -1.513 -1.428 1.043 + 335GLU HA 4730 -1.435 -1.453 0.972 + 335GLU CB 4731 -1.448 -1.390 1.178 + 335GLU HB1 4732 -1.406 -1.482 1.225 + 335GLU HB2 4733 -1.526 -1.348 1.246 + 335GLU CG 4734 -1.330 -1.288 1.168 + 335GLU HG1 4735 -1.367 -1.193 1.126 + 335GLU HG2 4736 -1.252 -1.327 1.101 + 335GLU CD 4737 -1.271 -1.260 1.307 + 335GLU OE1 4738 -1.346 -1.257 1.404 + 335GLU OE2 4739 -1.144 -1.242 1.319 + 335GLU C 4740 -1.599 -1.553 1.062 + 335GLU O 4741 -1.554 -1.668 1.045 + 336ALA N 4742 -1.725 -1.539 1.103 + 336ALA HN 4743 -1.762 -1.447 1.119 + 336ALA CA 4744 -1.818 -1.651 1.110 + 336ALA HA 4745 -1.771 -1.729 1.167 + 336ALA CB 4746 -1.946 -1.607 1.184 + 336ALA HB1 4747 -2.002 -1.532 1.123 + 336ALA HB2 4748 -1.920 -1.560 1.281 + 336ALA HB3 4749 -2.012 -1.694 1.202 + 336ALA C 4750 -1.853 -1.713 0.976 + 336ALA O 4751 -1.860 -1.838 0.966 + 337GLU N 4752 -1.876 -1.634 0.872 + 337GLU HN 4753 -1.869 -1.534 0.883 + 337GLU CA 4754 -1.927 -1.680 0.744 + 337GLU HA 4755 -1.989 -1.767 0.761 + 337GLU CB 4756 -2.013 -1.570 0.678 + 337GLU HB1 4757 -2.039 -1.598 0.574 + 337GLU HB2 4758 -1.953 -1.476 0.674 + 337GLU CG 4759 -2.146 -1.540 0.753 + 337GLU HG1 4760 -2.194 -1.453 0.705 + 337GLU HG2 4761 -2.125 -1.513 0.859 + 337GLU CD 4762 -2.247 -1.655 0.753 + 337GLU OE1 4763 -2.296 -1.689 0.640 + 337GLU OE2 4764 -2.281 -1.709 0.860 + 337GLU C 4765 -1.816 -1.721 0.649 + 337GLU O 4766 -1.829 -1.825 0.580 + 338PHE N 4767 -1.706 -1.646 0.642 + 338PHE HN 4768 -1.696 -1.562 0.699 + 338PHE CA 4769 -1.595 -1.668 0.549 + 338PHE HA 4770 -1.625 -1.737 0.471 + 338PHE CB 4771 -1.544 -1.535 0.486 + 338PHE HB1 4772 -1.459 -1.557 0.418 + 338PHE HB2 4773 -1.509 -1.466 0.566 + 338PHE CG 4774 -1.644 -1.458 0.401 + 338PHE CD1 4775 -1.766 -1.511 0.356 + 338PHE HD1 4776 -1.796 -1.610 0.384 + 338PHE CE1 4777 -1.850 -1.435 0.273 + 338PHE HE1 4778 -1.945 -1.476 0.241 + 338PHE CZ 4779 -1.812 -1.306 0.234 + 338PHE HZ 4780 -1.876 -1.248 0.169 + 338PHE CD2 4781 -1.608 -1.328 0.362 + 338PHE HD2 4782 -1.515 -1.285 0.397 + 338PHE CE2 4783 -1.691 -1.253 0.278 + 338PHE HE2 4784 -1.661 -1.153 0.251 + 338PHE C 4785 -1.478 -1.730 0.621 + 338PHE O 4786 -1.375 -1.764 0.558 + 339GLY N 4787 -1.487 -1.753 0.752 + 339GLY HN 4788 -1.566 -1.717 0.803 + 339GLY CA 4789 -1.380 -1.811 0.831 + 339GLY HA1 4790 -1.336 -1.892 0.774 + 339GLY HA2 4791 -1.423 -1.844 0.924 + 339GLY C 4792 -1.268 -1.718 0.865 + 339GLY O 4793 -1.260 -1.603 0.822 + 340GLY N 4794 -1.175 -1.769 0.948 + 340GLY HN 4795 -1.192 -1.860 0.986 + 340GLY CA 4796 -1.063 -1.694 1.001 + 340GLY HA1 4797 -1.044 -1.606 0.941 + 340GLY HA2 4798 -0.979 -1.761 1.006 + 340GLY C 4799 -1.088 -1.648 1.142 + 340GLY O 4800 -1.190 -1.678 1.205 + 341SER N 4801 -0.989 -1.578 1.197 + 341SER HN 4802 -0.909 -1.555 1.142 + 341SER CA 4803 -0.995 -1.529 1.333 + 341SER HA 4804 -1.088 -1.475 1.345 + 341SER CB 4805 -0.985 -1.642 1.441 + 341SER HB1 4806 -1.069 -1.712 1.423 + 341SER HB2 4807 -0.997 -1.597 1.542 + 341SER OG 4808 -0.863 -1.717 1.437 + 341SER HG1 4809 -0.791 -1.652 1.443 + 341SER C 4810 -0.884 -1.431 1.362 + 341SER O 4811 -0.873 -1.378 1.472 + 342SER N 4812 -0.795 -1.403 1.265 + 342SER HN 4813 -0.802 -1.438 1.171 + 342SER CA 4814 -0.680 -1.317 1.282 + 342SER HA 4815 -0.625 -1.357 1.366 + 342SER CB 4816 -0.586 -1.324 1.160 + 342SER HB1 4817 -0.539 -1.425 1.161 + 342SER HB2 4818 -0.505 -1.248 1.165 + 342SER OG 4819 -0.658 -1.311 1.038 + 342SER HG1 4820 -0.655 -1.215 1.015 + 342SER C 4821 -0.714 -1.174 1.322 + 342SER O 4822 -0.646 -1.117 1.408 + 343PHE N 4823 -0.821 -1.115 1.265 + 343PHE HN 4824 -0.875 -1.163 1.196 + 343PHE CA 4825 -0.869 -0.982 1.300 + 343PHE HA 4826 -0.786 -0.914 1.289 + 343PHE CB 4827 -0.984 -0.940 1.203 + 343PHE HB1 4828 -1.071 -1.007 1.214 + 343PHE HB2 4829 -0.946 -0.950 1.099 + 343PHE CG 4830 -1.028 -0.796 1.221 + 343PHE CD1 4831 -0.956 -0.693 1.159 + 343PHE HD1 4832 -0.866 -0.718 1.104 + 343PHE CE1 4833 -0.999 -0.560 1.164 + 343PHE HE1 4834 -0.943 -0.484 1.113 + 343PHE CZ 4835 -1.117 -0.529 1.232 + 343PHE HZ 4836 -1.152 -0.427 1.232 + 343PHE CD2 4837 -1.148 -0.763 1.288 + 343PHE HD2 4838 -1.207 -0.842 1.332 + 343PHE CE2 4839 -1.192 -0.630 1.293 + 343PHE HE2 4840 -1.285 -0.605 1.341 + 343PHE C 4841 -0.913 -0.973 1.446 + 343PHE O 4842 -0.874 -0.883 1.522 + 344SER N 4843 -0.993 -1.071 1.493 + 344SER HN 4844 -1.027 -1.142 1.429 + 344SER CA 4845 -1.036 -1.081 1.632 + 344SER HA 4846 -1.071 -0.982 1.659 + 344SER CB 4847 -1.155 -1.176 1.655 + 344SER HB1 4848 -1.242 -1.137 1.597 + 344SER HB2 4849 -1.184 -1.177 1.762 + 344SER OG 4850 -1.129 -1.309 1.611 + 344SER HG1 4851 -1.137 -1.303 1.513 + 344SER C 4852 -0.925 -1.112 1.731 + 344SER O 4853 -0.923 -1.057 1.842 + 345ASP N 4854 -0.827 -1.198 1.692 + 345ASP HN 4855 -0.838 -1.245 1.603 + 345ASP CA 4856 -0.707 -1.233 1.767 + 345ASP HA 4857 -0.739 -1.275 1.862 + 345ASP CB 4858 -0.617 -1.337 1.691 + 345ASP HB1 4859 -0.520 -1.346 1.744 + 345ASP HB2 4860 -0.598 -1.298 1.589 + 345ASP CG 4861 -0.671 -1.479 1.680 + 345ASP OD1 4862 -0.764 -1.519 1.753 + 345ASP OD2 4863 -0.605 -1.558 1.604 + 345ASP C 4864 -0.622 -1.110 1.798 + 345ASP O 4865 -0.565 -1.095 1.907 + 346LYS N 4866 -0.613 -1.016 1.702 + 346LYS HN 4867 -0.658 -1.031 1.614 + 346LYS CA 4868 -0.534 -0.894 1.715 + 346LYS HA 4869 -0.456 -0.909 1.788 + 346LYS CB 4870 -0.464 -0.858 1.581 + 346LYS HB1 4871 -0.444 -0.749 1.574 + 346LYS HB2 4872 -0.533 -0.883 1.497 + 346LYS CG 4873 -0.329 -0.928 1.560 + 346LYS HG1 4874 -0.259 -0.892 1.639 + 346LYS HG2 4875 -0.288 -0.894 1.462 + 346LYS CD 4876 -0.333 -1.082 1.561 + 346LYS HD1 4877 -0.402 -1.115 1.481 + 346LYS HD2 4878 -0.374 -1.116 1.659 + 346LYS CE 4879 -0.194 -1.143 1.541 + 346LYS HE1 4880 -0.127 -1.114 1.625 + 346LYS HE2 4881 -0.149 -1.108 1.447 + 346LYS NZ 4882 -0.201 -1.290 1.537 + 346LYS HZ1 4883 -0.264 -1.323 1.460 + 346LYS HZ2 4884 -0.240 -1.326 1.625 + 346LYS HZ3 4885 -0.105 -1.328 1.520 + 346LYS C 4886 -0.615 -0.778 1.769 + 346LYS O 4887 -0.568 -0.665 1.780 + 347GLY N 4888 -0.740 -0.805 1.812 + 347GLY HN 4889 -0.776 -0.897 1.797 + 347GLY CA 4890 -0.816 -0.714 1.898 + 347GLY HA1 4891 -0.749 -0.648 1.949 + 347GLY HA2 4892 -0.872 -0.776 1.965 + 347GLY C 4893 -0.915 -0.629 1.824 + 347GLY O 4894 -0.972 -0.536 1.881 + 348GLY N 4895 -0.940 -0.661 1.695 + 348GLY HN 4896 -0.889 -0.738 1.653 + 348GLY CA 4897 -1.033 -0.595 1.604 + 348GLY HA1 4898 -1.133 -0.622 1.636 + 348GLY HA2 4899 -1.009 -0.632 1.505 + 348GLY C 4900 -1.026 -0.445 1.597 + 348GLY O 4901 -0.918 -0.383 1.613 + 349LEU N 4902 -1.139 -0.377 1.576 + 349LEU HN 4903 -1.227 -0.424 1.566 + 349LEU CA 4904 -1.144 -0.232 1.558 + 349LEU HA 4905 -1.073 -0.207 1.481 + 349LEU CB 4906 -1.284 -0.184 1.514 + 349LEU HB1 4907 -1.289 -0.072 1.516 + 349LEU HB2 4908 -1.360 -0.222 1.585 + 349LEU CG 4909 -1.325 -0.226 1.371 + 349LEU HG 4910 -1.319 -0.337 1.363 + 349LEU CD1 4911 -1.470 -0.185 1.346 + 349LEU HD11 4912 -1.480 -0.074 1.348 + 349LEU HD12 4913 -1.536 -0.228 1.424 + 349LEU HD13 4914 -1.503 -0.222 1.246 + 349LEU CD2 4915 -1.235 -0.163 1.264 + 349LEU HD21 4916 -1.129 -0.196 1.274 + 349LEU HD22 4917 -1.239 -0.052 1.269 + 349LEU HD23 4918 -1.270 -0.194 1.163 + 349LEU C 4919 -1.103 -0.157 1.683 + 349LEU O 4920 -1.052 -0.044 1.677 + 350THR N 4921 -1.122 -0.216 1.801 + 350THR HN 4922 -1.160 -0.308 1.799 + 350THR CA 4923 -1.076 -0.159 1.927 + 350THR HA 4924 -1.116 -0.059 1.933 + 350THR CB 4925 -1.128 -0.238 2.046 + 350THR HB 4926 -1.111 -0.347 2.027 + 350THR OG1 4927 -1.267 -0.211 2.061 + 350THR HG1 4928 -1.311 -0.247 1.982 + 350THR CG2 4929 -1.063 -0.200 2.180 + 350THR HG21 4930 -1.072 -0.091 2.198 + 350THR HG22 4931 -0.956 -0.227 2.183 + 350THR HG23 4932 -1.113 -0.255 2.262 + 350THR C 4933 -0.927 -0.142 1.938 + 350THR O 4934 -0.878 -0.036 1.981 + 351GLN N 4935 -0.849 -0.243 1.898 + 351GLN HN 4936 -0.889 -0.329 1.863 + 351GLN CA 4937 -0.705 -0.232 1.887 + 351GLN HA 4938 -0.668 -0.190 1.979 + 351GLN CB 4939 -0.639 -0.370 1.862 + 351GLN HB1 4940 -0.682 -0.415 1.770 + 351GLN HB2 4941 -0.667 -0.437 1.946 + 351GLN CG 4942 -0.485 -0.367 1.850 + 351GLN HG1 4943 -0.456 -0.311 1.758 + 351GLN HG2 4944 -0.446 -0.470 1.839 + 351GLN CD 4945 -0.417 -0.303 1.972 + 351GLN OE1 4946 -0.469 -0.286 2.080 + 351GLN NE2 4947 -0.287 -0.268 1.951 + 351GLN HE21 4948 -0.245 -0.291 1.863 + 351GLN HE22 4949 -0.233 -0.241 2.030 + 351GLN C 4950 -0.663 -0.138 1.776 + 351GLN O 4951 -0.574 -0.052 1.794 + 352PHE N 4952 -0.730 -0.147 1.661 + 352PHE HN 4953 -0.801 -0.218 1.652 + 352PHE CA 4954 -0.706 -0.071 1.541 + 352PHE HA 4955 -0.603 -0.088 1.513 + 352PHE CB 4956 -0.802 -0.121 1.430 + 352PHE HB1 4957 -0.906 -0.095 1.455 + 352PHE HB2 4958 -0.794 -0.231 1.416 + 352PHE CG 4959 -0.766 -0.056 1.301 + 352PHE CD1 4960 -0.639 -0.082 1.246 + 352PHE HD1 4961 -0.573 -0.153 1.293 + 352PHE CE1 4962 -0.596 -0.013 1.133 + 352PHE HE1 4963 -0.498 -0.032 1.093 + 352PHE CZ 4964 -0.680 0.080 1.072 + 352PHE HZ 4965 -0.647 0.131 0.984 + 352PHE CD2 4966 -0.851 0.037 1.238 + 352PHE HD2 4967 -0.948 0.057 1.280 + 352PHE CE2 4968 -0.808 0.105 1.124 + 352PHE HE2 4969 -0.873 0.177 1.076 + 352PHE C 4970 -0.722 0.079 1.564 + 352PHE O 4971 -0.646 0.163 1.512 + 353LYS N 4972 -0.818 0.118 1.648 + 353LYS HN 4973 -0.877 0.047 1.687 + 353LYS CA 4974 -0.853 0.255 1.681 + 353LYS HA 4975 -0.881 0.303 1.589 + 353LYS CB 4976 -0.974 0.252 1.777 + 353LYS HB1 4977 -0.949 0.190 1.865 + 353LYS HB2 4978 -1.057 0.202 1.722 + 353LYS CG 4979 -1.023 0.390 1.824 + 353LYS HG1 4980 -1.042 0.454 1.735 + 353LYS HG2 4981 -0.946 0.439 1.887 + 353LYS CD 4982 -1.152 0.375 1.906 + 353LYS HD1 4983 -1.127 0.315 1.997 + 353LYS HD2 4984 -1.225 0.317 1.845 + 353LYS CE 4985 -1.214 0.508 1.946 + 353LYS HE1 4986 -1.250 0.562 1.856 + 353LYS HE2 4987 -1.140 0.572 1.998 + 353LYS NZ 4988 -1.329 0.484 2.036 + 353LYS HZ1 4989 -1.298 0.443 2.127 + 353LYS HZ2 4990 -1.394 0.418 1.988 + 353LYS HZ3 4991 -1.378 0.574 2.052 + 353LYS C 4992 -0.738 0.335 1.741 + 353LYS O 4993 -0.729 0.458 1.726 + 354LYS N 4994 -0.646 0.267 1.811 + 354LYS HN 4995 -0.655 0.168 1.818 + 354LYS CA 4996 -0.521 0.323 1.860 + 354LYS HA 4997 -0.546 0.408 1.921 + 354LYS CB 4998 -0.444 0.219 1.944 + 354LYS HB1 4999 -0.351 0.266 1.984 + 354LYS HB2 5000 -0.414 0.135 1.878 + 354LYS CG 5001 -0.525 0.162 2.061 + 354LYS HG1 5002 -0.620 0.117 2.022 + 354LYS HG2 5003 -0.553 0.243 2.131 + 354LYS CD 5004 -0.448 0.051 2.134 + 354LYS HD1 5005 -0.354 0.094 2.175 + 354LYS HD2 5006 -0.420 -0.025 2.058 + 354LYS CE 5007 -0.529 -0.015 2.246 + 354LYS HE1 5008 -0.624 -0.055 2.205 + 354LYS HE2 5009 -0.551 0.059 2.326 + 354LYS NZ 5010 -0.453 -0.128 2.305 + 354LYS HZ1 5011 -0.355 -0.097 2.329 + 354LYS HZ2 5012 -0.445 -0.203 2.232 + 354LYS HZ3 5013 -0.499 -0.168 2.389 + 354LYS C 5014 -0.431 0.373 1.748 + 354LYS O 5015 -0.373 0.483 1.759 + 355ALA N 5016 -0.419 0.299 1.637 + 355ALA HN 5017 -0.472 0.214 1.625 + 355ALA CA 5018 -0.344 0.337 1.518 + 355ALA HA 5019 -0.242 0.359 1.548 + 355ALA CB 5020 -0.343 0.223 1.415 + 355ALA HB1 5021 -0.444 0.204 1.373 + 355ALA HB2 5022 -0.307 0.129 1.462 + 355ALA HB3 5023 -0.275 0.247 1.331 + 355ALA C 5024 -0.399 0.464 1.455 + 355ALA O 5025 -0.325 0.558 1.425 + 356THR N 5026 -0.532 0.474 1.442 + 356THR HN 5027 -0.591 0.396 1.466 + 356THR CA 5028 -0.598 0.590 1.383 + 356THR HA 5029 -0.539 0.620 1.297 + 356THR CB 5030 -0.740 0.561 1.335 + 356THR HB 5031 -0.789 0.654 1.297 + 356THR OG1 5032 -0.821 0.504 1.437 + 356THR HG1 5033 -0.818 0.563 1.513 + 356THR CG2 5034 -0.734 0.461 1.219 + 356THR HG21 5035 -0.690 0.364 1.252 + 356THR HG22 5036 -0.672 0.500 1.136 + 356THR HG23 5037 -0.836 0.440 1.180 + 356THR C 5038 -0.602 0.709 1.476 + 356THR O 5039 -0.626 0.823 1.433 + 357SER N 5040 -0.582 0.687 1.607 + 357SER HN 5041 -0.570 0.593 1.638 + 357SER CA 5042 -0.569 0.793 1.708 + 357SER HA 5043 -0.638 0.872 1.685 + 357SER CB 5044 -0.593 0.744 1.853 + 357SER HB1 5045 -0.582 0.829 1.924 + 357SER HB2 5046 -0.519 0.665 1.880 + 357SER OG 5047 -0.725 0.691 1.868 + 357SER HG1 5048 -0.729 0.610 1.814 + 357SER C 5049 -0.430 0.852 1.709 + 357SER O 5050 -0.409 0.966 1.755 + 358GLY N 5051 -0.330 0.776 1.661 + 358GLY HN 5052 -0.350 0.684 1.628 + 358GLY CA 5053 -0.194 0.822 1.638 + 358GLY HA1 5054 -0.130 0.736 1.643 + 358GLY HA2 5055 -0.169 0.899 1.710 + 358GLY C 5056 -0.176 0.884 1.502 + 358GLY O 5057 -0.272 0.931 1.439 + 359GLY N 5058 -0.051 0.888 1.455 + 359GLY HN 5059 0.025 0.854 1.509 + 359GLY CA 5060 -0.018 0.928 1.319 + 359GLY HA1 5061 0.078 0.978 1.322 + 359GLY HA2 5062 -0.096 0.989 1.277 + 359GLY C 5063 -0.000 0.806 1.234 + 359GLY O 5064 0.037 0.700 1.279 + 360MET N 5065 -0.029 0.824 1.104 + 360MET HN 5066 -0.065 0.910 1.069 + 360MET CA 5067 -0.005 0.723 1.004 + 360MET HA 5068 0.078 0.661 1.035 + 360MET CB 5069 -0.131 0.637 0.976 + 360MET HB1 5070 -0.100 0.554 0.908 + 360MET HB2 5071 -0.208 0.699 0.924 + 360MET CG 5072 -0.198 0.575 1.101 + 360MET HG1 5073 -0.233 0.658 1.166 + 360MET HG2 5074 -0.121 0.520 1.158 + 360MET SD 5075 -0.340 0.465 1.066 + 360MET CE 5076 -0.248 0.319 1.010 + 360MET HE1 5077 -0.182 0.279 1.090 + 360MET HE2 5078 -0.184 0.342 0.923 + 360MET HE3 5079 -0.317 0.237 0.980 + 360MET C 5080 0.037 0.797 0.879 + 360MET O 5081 -0.017 0.904 0.846 + 361VAL N 5082 0.136 0.742 0.807 + 361VAL HN 5083 0.174 0.654 0.836 + 361VAL CA 5084 0.196 0.800 0.689 + 361VAL HA 5085 0.188 0.908 0.694 + 361VAL CB 5086 0.343 0.762 0.678 + 361VAL HB 5087 0.354 0.651 0.686 + 361VAL CG1 5088 0.406 0.808 0.544 + 361VAL HG11 5089 0.388 0.916 0.527 + 361VAL HG12 5090 0.364 0.750 0.459 + 361VAL HG13 5091 0.516 0.789 0.546 + 361VAL CG2 5092 0.418 0.827 0.797 + 361VAL HG21 5093 0.382 0.788 0.894 + 361VAL HG22 5094 0.403 0.937 0.798 + 361VAL HG23 5095 0.527 0.806 0.791 + 361VAL C 5096 0.119 0.753 0.567 + 361VAL O 5097 0.093 0.634 0.550 + 362LEU N 5098 0.076 0.847 0.480 + 362LEU HN 5099 0.094 0.943 0.500 + 362LEU CA 5100 0.013 0.816 0.353 + 362LEU HA 5101 -0.067 0.746 0.372 + 362LEU CB 5102 -0.045 0.944 0.287 + 362LEU HB1 5103 0.038 1.017 0.275 + 362LEU HB2 5104 -0.119 0.989 0.357 + 362LEU CG 5105 -0.113 0.927 0.149 + 362LEU HG 5106 -0.039 0.884 0.077 + 362LEU CD1 5107 -0.233 0.832 0.154 + 362LEU HD11 5108 -0.310 0.869 0.225 + 362LEU HD12 5109 -0.203 0.730 0.185 + 362LEU HD13 5110 -0.279 0.824 0.053 + 362LEU CD2 5111 -0.158 1.062 0.093 + 362LEU HD21 5112 -0.071 1.129 0.079 + 362LEU HD22 5113 -0.231 1.110 0.162 + 362LEU HD23 5114 -0.207 1.047 -0.006 + 362LEU C 5115 0.108 0.749 0.255 + 362LEU O 5116 0.218 0.798 0.229 + 363VAL N 5117 0.063 0.637 0.196 + 363VAL HN 5118 -0.026 0.598 0.220 + 363VAL CA 5119 0.136 0.558 0.100 + 363VAL HA 5120 0.229 0.608 0.076 + 363VAL CB 5121 0.166 0.417 0.148 + 363VAL HB 5122 0.074 0.354 0.145 + 363VAL CG1 5123 0.274 0.353 0.058 + 363VAL HG11 5124 0.361 0.421 0.046 + 363VAL HG12 5125 0.233 0.328 -0.042 + 363VAL HG13 5126 0.310 0.259 0.104 + 363VAL CG2 5127 0.212 0.418 0.295 + 363VAL HG21 5128 0.128 0.446 0.362 + 363VAL HG22 5129 0.296 0.488 0.312 + 363VAL HG23 5130 0.245 0.316 0.324 + 363VAL C 5131 0.052 0.552 -0.025 + 363VAL O 5132 -0.072 0.545 -0.020 + 364MET N 5133 0.115 0.556 -0.143 + 364MET HN 5134 0.215 0.564 -0.145 + 364MET CA 5135 0.048 0.536 -0.270 + 364MET HA 5136 -0.042 0.478 -0.255 + 364MET CB 5137 0.015 0.669 -0.343 + 364MET HB1 5138 -0.020 0.646 -0.447 + 364MET HB2 5139 0.109 0.728 -0.351 + 364MET CG 5140 -0.095 0.751 -0.274 + 364MET HG1 5141 -0.073 0.758 -0.165 + 364MET HG2 5142 -0.190 0.693 -0.283 + 364MET SD 5143 -0.119 0.919 -0.338 + 364MET CE 5144 0.027 0.991 -0.257 + 364MET HE1 5145 0.120 0.942 -0.292 + 364MET HE2 5146 0.022 0.977 -0.147 + 364MET HE3 5147 0.036 1.099 -0.278 + 364MET C 5148 0.141 0.451 -0.355 + 364MET O 5149 0.261 0.475 -0.361 + 365SER N 5150 0.087 0.346 -0.419 + 365SER HN 5151 -0.011 0.324 -0.412 + 365SER CA 5152 0.170 0.248 -0.486 + 365SER HA 5153 0.260 0.296 -0.520 + 365SER CB 5154 0.210 0.128 -0.394 + 365SER HB1 5155 0.263 0.169 -0.305 + 365SER HB2 5156 0.281 0.060 -0.446 + 365SER OG 5157 0.097 0.053 -0.349 + 365SER HG1 5158 0.131 -0.019 -0.292 + 365SER C 5159 0.102 0.195 -0.609 + 365SER O 5160 -0.016 0.221 -0.637 + 366LEU N 5161 0.179 0.122 -0.690 + 366LEU HN 5162 0.275 0.108 -0.668 + 366LEU CA 5163 0.128 0.044 -0.800 + 366LEU HA 5164 0.026 0.015 -0.781 + 366LEU CB 5165 0.142 0.121 -0.934 + 366LEU HB1 5166 0.248 0.153 -0.947 + 366LEU HB2 5167 0.080 0.213 -0.926 + 366LEU CG 5168 0.099 0.044 -1.061 + 366LEU HG 5169 0.167 -0.044 -1.074 + 366LEU CD1 5170 -0.045 -0.009 -1.053 + 366LEU HD11 5171 -0.116 0.074 -1.036 + 366LEU HD12 5172 -0.056 -0.082 -0.970 + 366LEU HD13 5173 -0.072 -0.061 -1.147 + 366LEU CD2 5174 0.114 0.133 -1.185 + 366LEU HD21 5175 0.219 0.170 -1.194 + 366LEU HD22 5176 0.047 0.221 -1.178 + 366LEU HD23 5177 0.088 0.077 -1.277 + 366LEU C 5178 0.215 -0.079 -0.801 + 366LEU O 5179 0.336 -0.069 -0.791 + 367TRP N 5180 0.153 -0.199 -0.809 + 367TRP HN 5181 0.054 -0.208 -0.812 + 367TRP CA 5182 0.227 -0.322 -0.796 + 367TRP HA 5183 0.321 -0.313 -0.850 + 367TRP CB 5184 0.257 -0.356 -0.646 + 367TRP HB1 5185 0.318 -0.273 -0.604 + 367TRP HB2 5186 0.321 -0.447 -0.641 + 367TRP CG 5187 0.139 -0.376 -0.555 + 367TRP CD1 5188 0.055 -0.279 -0.506 + 367TRP HD1 5189 0.059 -0.174 -0.533 + 367TRP NE1 5190 -0.033 -0.334 -0.415 + 367TRP HE1 5191 -0.090 -0.288 -0.350 + 367TRP CE2 5192 -0.008 -0.468 -0.404 + 367TRP CD2 5193 0.100 -0.499 -0.489 + 367TRP CE3 5194 0.150 -0.629 -0.491 + 367TRP HE3 5195 0.235 -0.656 -0.551 + 367TRP CZ3 5196 0.090 -0.725 -0.409 + 367TRP HZ3 5197 0.128 -0.827 -0.407 + 367TRP CZ2 5198 -0.068 -0.563 -0.322 + 367TRP HZ2 5199 -0.147 -0.536 -0.254 + 367TRP CH2 5200 -0.017 -0.692 -0.326 + 367TRP HH2 5201 -0.059 -0.769 -0.261 + 367TRP C 5202 0.151 -0.434 -0.862 + 367TRP O 5203 0.030 -0.423 -0.889 + 368ASP N 5204 0.220 -0.544 -0.891 + 368ASP HN 5205 0.320 -0.551 -0.884 + 368ASP CA 5206 0.164 -0.672 -0.927 + 368ASP HA 5207 0.057 -0.668 -0.912 + 368ASP CB 5208 0.190 -0.710 -1.075 + 368ASP HB1 5209 0.148 -0.631 -1.140 + 368ASP HB2 5210 0.138 -0.805 -1.099 + 368ASP CG 5211 0.337 -0.726 -1.112 + 368ASP OD1 5212 0.425 -0.680 -1.040 + 368ASP OD2 5213 0.356 -0.783 -1.226 + 368ASP C 5214 0.219 -0.772 -0.825 + 368ASP O 5215 0.317 -0.751 -0.757 + 369ASP N 5216 0.144 -0.885 -0.810 + 369ASP HN 5217 0.068 -0.902 -0.871 + 369ASP CA 5218 0.164 -0.977 -0.701 + 369ASP HA 5219 0.225 -0.930 -0.624 + 369ASP CB 5220 0.027 -1.011 -0.639 + 369ASP HB1 5221 -0.038 -1.052 -0.719 + 369ASP HB2 5222 -0.020 -0.918 -0.601 + 369ASP CG 5223 0.023 -1.112 -0.526 + 369ASP OD1 5224 0.133 -1.168 -0.488 + 369ASP OD2 5225 -0.086 -1.148 -0.484 + 369ASP C 5226 0.242 -1.099 -0.747 + 369ASP O 5227 0.198 -1.177 -0.838 + 370TYR N 5228 0.355 -1.126 -0.685 + 370TYR HN 5229 0.378 -1.067 -0.606 + 370TYR CA 5230 0.446 -1.235 -0.715 + 370TYR HA 5231 0.429 -1.268 -0.817 + 370TYR CB 5232 0.593 -1.188 -0.698 + 370TYR HB1 5233 0.662 -1.272 -0.675 + 370TYR HB2 5234 0.600 -1.116 -0.614 + 370TYR CG 5235 0.645 -1.121 -0.823 + 370TYR CD1 5236 0.619 -0.986 -0.852 + 370TYR HD1 5237 0.553 -0.929 -0.788 + 370TYR CE1 5238 0.675 -0.924 -0.965 + 370TYR HE1 5239 0.652 -0.821 -0.987 + 370TYR CZ 5240 0.760 -0.997 -1.049 + 370TYR OH 5241 0.821 -0.934 -1.161 + 370TYR HH 5242 0.760 -0.867 -1.197 + 370TYR CD2 5243 0.728 -1.194 -0.911 + 370TYR HD2 5244 0.748 -1.298 -0.892 + 370TYR CE2 5245 0.785 -1.132 -1.023 + 370TYR HE2 5246 0.848 -1.189 -1.090 + 370TYR C 5247 0.422 -1.357 -0.629 + 370TYR O 5248 0.497 -1.456 -0.637 + 371TYR N 5249 0.318 -1.357 -0.544 + 371TYR HN 5250 0.259 -1.274 -0.535 + 371TYR CA 5251 0.293 -1.462 -0.447 + 371TYR HA 5252 0.363 -1.543 -0.462 + 371TYR CB 5253 0.308 -1.407 -0.303 + 371TYR HB1 5254 0.271 -1.480 -0.227 + 371TYR HB2 5255 0.251 -1.312 -0.291 + 371TYR CG 5256 0.454 -1.381 -0.275 + 371TYR CD1 5257 0.513 -1.260 -0.313 + 371TYR HD1 5258 0.453 -1.186 -0.363 + 371TYR CE1 5259 0.649 -1.236 -0.290 + 371TYR HE1 5260 0.693 -1.142 -0.320 + 371TYR CZ 5261 0.727 -1.334 -0.229 + 371TYR OH 5262 0.864 -1.309 -0.208 + 371TYR HH 5263 0.901 -1.383 -0.161 + 371TYR CD2 5264 0.533 -1.479 -0.213 + 371TYR HD2 5265 0.487 -1.572 -0.185 + 371TYR CE2 5266 0.669 -1.456 -0.190 + 371TYR HE2 5267 0.729 -1.531 -0.142 + 371TYR C 5268 0.157 -1.525 -0.460 + 371TYR O 5269 0.145 -1.648 -0.442 + 372ALA N 5270 0.052 -1.448 -0.489 + 372ALA HN 5271 0.062 -1.346 -0.488 + 372ALA CA 5272 -0.081 -1.502 -0.507 + 372ALA HA 5273 -0.077 -1.610 -0.515 + 372ALA CB 5274 -0.168 -1.462 -0.386 + 372ALA HB1 5275 -0.171 -1.352 -0.377 + 372ALA HB2 5276 -0.122 -1.502 -0.294 + 372ALA HB3 5277 -0.271 -1.502 -0.396 + 372ALA C 5278 -0.146 -1.454 -0.635 + 372ALA O 5279 -0.258 -1.498 -0.668 + 373ASN N 5280 -0.082 -1.364 -0.711 + 373ASN HN 5281 0.001 -1.322 -0.673 + 373ASN CA 5282 -0.120 -1.321 -0.845 + 373ASN HA 5283 -0.040 -1.257 -0.880 + 373ASN CB 5284 -0.134 -1.439 -0.945 + 373ASN HB1 5285 -0.159 -1.401 -1.046 + 373ASN HB2 5286 -0.216 -1.507 -0.915 + 373ASN CG 5287 -0.007 -1.523 -0.956 + 373ASN OD1 5288 -0.012 -1.647 -0.973 + 373ASN ND2 5289 0.112 -1.461 -0.942 + 373ASN HD21 5290 0.115 -1.362 -0.923 + 373ASN HD22 5291 0.195 -1.515 -0.944 + 373ASN C 5292 -0.240 -1.227 -0.844 + 373ASN O 5293 -0.303 -1.204 -0.948 + 374MET N 5294 -0.273 -1.170 -0.727 + 374MET HN 5295 -0.215 -1.188 -0.646 + 374MET CA 5296 -0.376 -1.070 -0.704 + 374MET HA 5297 -0.360 -1.033 -0.604 + 374MET CB 5298 -0.366 -0.949 -0.802 + 374MET HB1 5299 -0.433 -0.965 -0.889 + 374MET HB2 5300 -0.262 -0.944 -0.841 + 374MET CG 5301 -0.400 -0.814 -0.735 + 374MET HG1 5302 -0.500 -0.824 -0.688 + 374MET HG2 5303 -0.409 -0.737 -0.814 + 374MET SD 5304 -0.279 -0.761 -0.610 + 374MET CE 5305 -0.152 -0.706 -0.728 + 374MET HE1 5306 -0.191 -0.628 -0.796 + 374MET HE2 5307 -0.115 -0.790 -0.790 + 374MET HE3 5308 -0.064 -0.662 -0.674 + 374MET C 5309 -0.515 -1.132 -0.705 + 374MET O 5310 -0.618 -1.066 -0.703 + 375LEU N 5311 -0.521 -1.267 -0.697 + 375LEU HN 5312 -0.436 -1.319 -0.695 + 375LEU CA 5313 -0.644 -1.342 -0.714 + 375LEU HA 5314 -0.697 -1.303 -0.800 + 375LEU CB 5315 -0.611 -1.492 -0.734 + 375LEU HB1 5316 -0.704 -1.553 -0.741 + 375LEU HB2 5317 -0.553 -1.526 -0.645 + 375LEU CG 5318 -0.524 -1.524 -0.858 + 375LEU HG 5319 -0.432 -1.460 -0.854 + 375LEU CD1 5320 -0.478 -1.671 -0.856 + 375LEU HD11 5321 -0.566 -1.738 -0.864 + 375LEU HD12 5322 -0.423 -1.693 -0.762 + 375LEU HD13 5323 -0.411 -1.690 -0.942 + 375LEU CD2 5324 -0.595 -1.493 -0.991 + 375LEU HD21 5325 -0.622 -1.385 -0.996 + 375LEU HD22 5326 -0.687 -1.554 -1.001 + 375LEU HD23 5327 -0.527 -1.516 -1.076 + 375LEU C 5328 -0.735 -1.327 -0.594 + 375LEU O 5329 -0.857 -1.349 -0.600 + 376TRP N 5330 -0.679 -1.283 -0.480 + 376TRP HN 5331 -0.582 -1.259 -0.481 + 376TRP CA 5332 -0.749 -1.254 -0.357 + 376TRP HA 5333 -0.818 -1.334 -0.338 + 376TRP CB 5334 -0.650 -1.245 -0.238 + 376TRP HB1 5335 -0.607 -1.346 -0.223 + 376TRP HB2 5336 -0.705 -1.219 -0.145 + 376TRP CG 5337 -0.537 -1.148 -0.257 + 376TRP CD1 5338 -0.413 -1.177 -0.308 + 376TRP HD1 5339 -0.379 -1.277 -0.334 + 376TRP NE1 5340 -0.340 -1.062 -0.323 + 376TRP HE1 5341 -0.249 -1.055 -0.361 + 376TRP CE2 5342 -0.416 -0.956 -0.280 + 376TRP CD2 5343 -0.540 -1.006 -0.236 + 376TRP CE3 5344 -0.637 -0.918 -0.186 + 376TRP HE3 5345 -0.732 -0.953 -0.147 + 376TRP CZ3 5346 -0.609 -0.781 -0.186 + 376TRP HZ3 5347 -0.683 -0.711 -0.149 + 376TRP CZ2 5348 -0.388 -0.820 -0.279 + 376TRP HZ2 5349 -0.294 -0.781 -0.315 + 376TRP CH2 5350 -0.488 -0.734 -0.235 + 376TRP HH2 5351 -0.472 -0.627 -0.240 + 376TRP C 5352 -0.832 -1.126 -0.369 + 376TRP O 5353 -0.929 -1.110 -0.295 + 377LEU N 5354 -0.799 -1.038 -0.466 + 377LEU HN 5355 -0.722 -1.057 -0.527 + 377LEU CA 5356 -0.867 -0.913 -0.489 + 377LEU HA 5357 -0.915 -0.880 -0.398 + 377LEU CB 5358 -0.766 -0.806 -0.537 + 377LEU HB1 5359 -0.713 -0.843 -0.628 + 377LEU HB2 5360 -0.689 -0.793 -0.458 + 377LEU CG 5361 -0.824 -0.666 -0.572 + 377LEU HG 5362 -0.895 -0.677 -0.657 + 377LEU CD1 5363 -0.901 -0.604 -0.454 + 377LEU HD11 5364 -0.834 -0.592 -0.366 + 377LEU HD12 5365 -0.987 -0.667 -0.425 + 377LEU HD13 5366 -0.939 -0.503 -0.482 + 377LEU CD2 5367 -0.712 -0.571 -0.618 + 377LEU HD21 5368 -0.658 -0.613 -0.706 + 377LEU HD22 5369 -0.639 -0.554 -0.536 + 377LEU HD23 5370 -0.755 -0.473 -0.647 + 377LEU C 5371 -0.974 -0.931 -0.596 + 377LEU O 5372 -1.088 -0.889 -0.579 + 378ASP N 5373 -0.937 -0.992 -0.711 + 378ASP HN 5374 -0.845 -1.029 -0.723 + 378ASP CA 5375 -1.015 -0.979 -0.833 + 378ASP HA 5376 -1.106 -0.925 -0.812 + 378ASP CB 5377 -0.931 -0.895 -0.934 + 378ASP HB1 5378 -0.900 -0.802 -0.882 + 378ASP HB2 5379 -0.996 -0.866 -1.019 + 378ASP CG 5380 -0.805 -0.958 -0.992 + 378ASP OD1 5381 -0.788 -1.084 -0.977 + 378ASP OD2 5382 -0.730 -0.885 -1.058 + 378ASP C 5383 -1.061 -1.112 -0.890 + 378ASP O 5384 -1.125 -1.116 -0.999 + 379SER N 5385 -1.041 -1.225 -0.822 + 379SER HN 5386 -0.995 -1.222 -0.733 + 379SER CA 5387 -1.065 -1.355 -0.881 + 379SER HA 5388 -1.140 -1.347 -0.959 + 379SER CB 5389 -0.936 -1.416 -0.942 + 379SER HB1 5390 -0.865 -1.444 -0.861 + 379SER HB2 5391 -0.885 -1.338 -1.003 + 379SER OG 5392 -0.963 -1.530 -1.025 + 379SER HG1 5393 -1.006 -1.496 -1.106 + 379SER C 5394 -1.125 -1.446 -0.774 + 379SER O 5395 -1.164 -1.408 -0.668 + 380THR N 5396 -1.137 -1.577 -0.811 + 380THR HN 5397 -1.099 -1.602 -0.899 + 380THR CA 5398 -1.172 -1.681 -0.715 + 380THR HA 5399 -1.237 -1.639 -0.640 + 380THR CB 5400 -1.242 -1.800 -0.779 + 380THR HB 5401 -1.172 -1.856 -0.845 + 380THR OG1 5402 -1.349 -1.755 -0.861 + 380THR HG1 5403 -1.318 -1.672 -0.900 + 380THR CG2 5404 -1.299 -1.894 -0.672 + 380THR HG21 5405 -1.365 -1.839 -0.602 + 380THR HG22 5406 -1.217 -1.940 -0.612 + 380THR HG23 5407 -1.357 -1.976 -0.718 + 380THR C 5408 -1.046 -1.728 -0.647 + 380THR O 5409 -0.950 -1.772 -0.715 + 381TYR N 5410 -1.039 -1.720 -0.515 + 381TYR HN 5411 -1.119 -1.688 -0.462 + 381TYR CA 5412 -0.921 -1.751 -0.439 + 381TYR HA 5413 -0.859 -1.817 -0.497 + 381TYR CB 5414 -0.839 -1.623 -0.409 + 381TYR HB1 5415 -0.896 -1.554 -0.344 + 381TYR HB2 5416 -0.820 -1.572 -0.505 + 381TYR CG 5417 -0.705 -1.653 -0.346 + 381TYR CD1 5418 -0.599 -1.696 -0.427 + 381TYR HD1 5419 -0.614 -1.709 -0.533 + 381TYR CE1 5420 -0.472 -1.720 -0.372 + 381TYR HE1 5421 -0.390 -1.749 -0.437 + 381TYR CZ 5422 -0.451 -1.704 -0.235 + 381TYR OH 5423 -0.324 -1.731 -0.180 + 381TYR HH 5424 -0.264 -1.745 -0.253 + 381TYR CD2 5425 -0.683 -1.636 -0.208 + 381TYR HD2 5426 -0.763 -1.602 -0.145 + 381TYR CE2 5427 -0.557 -1.664 -0.153 + 381TYR HE2 5428 -0.543 -1.653 -0.047 + 381TYR C 5429 -0.965 -1.816 -0.307 + 381TYR O 5430 -1.054 -1.768 -0.243 + 382PRO N 5431 -0.900 -1.926 -0.265 + 382PRO CD 5432 -0.922 -1.969 -0.126 + 382PRO HD1 5433 -1.025 -2.009 -0.119 + 382PRO HD2 5434 -0.908 -1.884 -0.055 + 382PRO CA 5435 -0.825 -2.025 -0.340 + 382PRO HA 5436 -0.730 -1.978 -0.364 + 382PRO CB 5437 -0.808 -2.143 -0.243 + 382PRO HB1 5438 -0.713 -2.197 -0.259 + 382PRO HB2 5439 -0.892 -2.215 -0.255 + 382PRO CG 5440 -0.818 -2.079 -0.105 + 382PRO HG1 5441 -0.850 -2.150 -0.026 + 382PRO HG2 5442 -0.722 -2.032 -0.076 + 382PRO C 5443 -0.881 -2.068 -0.474 + 382PRO O 5444 -1.003 -2.063 -0.495 + 383THR N 5445 -0.796 -2.108 -0.568 + 383THR HN 5446 -0.698 -2.120 -0.551 + 383THR CA 5447 -0.832 -2.134 -0.707 + 383THR HA 5448 -0.899 -2.055 -0.740 + 383THR CB 5449 -0.710 -2.134 -0.797 + 383THR HB 5450 -0.735 -2.167 -0.901 + 383THR OG1 5451 -0.608 -2.217 -0.741 + 383THR HG1 5452 -0.540 -2.231 -0.808 + 383THR CG2 5453 -0.654 -1.992 -0.802 + 383THR HG21 5454 -0.619 -1.959 -0.701 + 383THR HG22 5455 -0.731 -1.920 -0.836 + 383THR HG23 5456 -0.567 -1.985 -0.870 + 383THR C 5457 -0.907 -2.264 -0.726 + 383THR O 5458 -0.971 -2.286 -0.829 + 384ASN N 5459 -0.904 -2.352 -0.624 + 384ASN HN 5460 -0.849 -2.333 -0.543 + 384ASN CA 5461 -0.975 -2.478 -0.624 + 384ASN HA 5462 -0.993 -2.509 -0.726 + 384ASN CB 5463 -0.892 -2.588 -0.552 + 384ASN HB1 5464 -0.794 -2.597 -0.604 + 384ASN HB2 5465 -0.944 -2.686 -0.561 + 384ASN CG 5466 -0.865 -2.558 -0.405 + 384ASN OD1 5467 -0.793 -2.458 -0.374 + 384ASN ND2 5468 -0.916 -2.637 -0.313 + 384ASN HD21 5469 -0.904 -2.613 -0.216 + 384ASN HD22 5470 -0.975 -2.714 -0.339 + 384ASN C 5471 -1.111 -2.463 -0.559 + 384ASN O 5472 -1.189 -2.560 -0.558 + 385GLU N 5473 -1.147 -2.344 -0.508 + 385GLU HN 5474 -1.087 -2.264 -0.514 + 385GLU CA 5475 -1.278 -2.318 -0.453 + 385GLU HA 5476 -1.312 -2.409 -0.405 + 385GLU CB 5477 -1.280 -2.207 -0.345 + 385GLU HB1 5478 -1.384 -2.184 -0.315 + 385GLU HB2 5479 -1.237 -2.114 -0.389 + 385GLU CG 5480 -1.202 -2.244 -0.216 + 385GLU HG1 5481 -1.195 -2.154 -0.152 + 385GLU HG2 5482 -1.100 -2.277 -0.241 + 385GLU CD 5483 -1.268 -2.352 -0.130 + 385GLU OE1 5484 -1.383 -2.395 -0.166 + 385GLU OE2 5485 -1.210 -2.387 -0.025 + 385GLU C 5486 -1.380 -2.289 -0.559 + 385GLU O 5487 -1.349 -2.254 -0.677 + 386THR N 5488 -1.507 -2.302 -0.525 + 386THR HN 5489 -1.526 -2.324 -0.429 + 386THR CA 5490 -1.620 -2.286 -0.615 + 386THR HA 5491 -1.584 -2.274 -0.716 + 386THR CB 5492 -1.718 -2.403 -0.612 + 386THR HB 5493 -1.794 -2.391 -0.692 + 386THR OG1 5494 -1.787 -2.414 -0.487 + 386THR HG1 5495 -1.718 -2.406 -0.419 + 386THR CG2 5496 -1.642 -2.533 -0.640 + 386THR HG21 5497 -1.569 -2.556 -0.560 + 386THR HG22 5498 -1.586 -2.524 -0.736 + 386THR HG23 5499 -1.712 -2.619 -0.649 + 386THR C 5500 -1.692 -2.157 -0.576 + 386THR O 5501 -1.666 -2.094 -0.480 + 387SER N 5502 -1.796 -2.121 -0.659 + 387SER HN 5503 -1.816 -2.168 -0.742 + 387SER CA 5504 -1.879 -2.007 -0.627 + 387SER HA 5505 -1.817 -1.927 -0.588 + 387SER CB 5506 -1.952 -1.957 -0.754 + 387SER HB1 5507 -1.873 -1.925 -0.827 + 387SER HB2 5508 -2.014 -1.867 -0.732 + 387SER OG 5509 -2.031 -2.060 -0.816 + 387SER HG1 5510 -2.089 -2.099 -0.750 + 387SER C 5511 -1.985 -2.035 -0.522 + 387SER O 5512 -2.057 -1.948 -0.479 + 388SER N 5513 -1.998 -2.165 -0.481 + 388SER HN 5514 -1.939 -2.236 -0.517 + 388SER CA 5515 -2.087 -2.201 -0.371 + 388SER HA 5516 -2.172 -2.135 -0.373 + 388SER CB 5517 -2.144 -2.346 -0.384 + 388SER HB1 5518 -2.191 -2.357 -0.484 + 388SER HB2 5519 -2.224 -2.358 -0.307 + 388SER OG 5520 -2.048 -2.450 -0.364 + 388SER HG1 5521 -1.974 -2.439 -0.426 + 388SER C 5522 -2.021 -2.183 -0.235 + 388SER O 5523 -2.086 -2.177 -0.134 + 389THR N 5524 -1.886 -2.171 -0.236 + 389THR HN 5525 -1.834 -2.173 -0.320 + 389THR CA 5526 -1.806 -2.150 -0.116 + 389THR HA 5527 -1.845 -2.216 -0.040 + 389THR CB 5528 -1.659 -2.187 -0.136 + 389THR HB 5529 -1.612 -2.119 -0.209 + 389THR OG1 5530 -1.643 -2.320 -0.187 + 389THR HG1 5531 -1.549 -2.344 -0.172 + 389THR CG2 5532 -1.584 -2.181 -0.002 + 389THR HG21 5533 -1.633 -2.245 0.075 + 389THR HG22 5534 -1.580 -2.077 0.037 + 389THR HG23 5535 -1.479 -2.216 -0.013 + 389THR C 5536 -1.815 -2.003 -0.071 + 389THR O 5537 -1.782 -1.916 -0.153 + 390PRO N 5538 -1.859 -1.967 0.050 + 390PRO CD 5539 -1.912 -2.059 0.151 + 390PRO HD1 5540 -1.826 -2.103 0.206 + 390PRO HD2 5541 -1.975 -2.138 0.106 + 390PRO CA 5542 -1.873 -1.827 0.093 + 390PRO HA 5543 -1.947 -1.782 0.030 + 390PRO CB 5544 -1.920 -1.837 0.239 + 390PRO HB1 5545 -1.982 -1.750 0.269 + 390PRO HB2 5546 -1.833 -1.844 0.308 + 390PRO CG 5547 -1.996 -1.970 0.243 + 390PRO HG1 5548 -2.004 -2.011 0.346 + 390PRO HG2 5549 -2.097 -1.958 0.199 + 390PRO C 5550 -1.748 -1.742 0.081 + 390PRO O 5551 -1.645 -1.774 0.140 + 391GLY N 5552 -1.753 -1.631 0.004 + 391GLY HN 5553 -1.837 -1.609 -0.045 + 391GLY CA 5554 -1.645 -1.533 -0.003 + 391GLY HA1 5555 -1.612 -1.511 0.097 + 391GLY HA2 5556 -1.683 -1.446 -0.053 + 391GLY C 5557 -1.523 -1.579 -0.080 + 391GLY O 5558 -1.420 -1.512 -0.080 + 392ALA N 5559 -1.533 -1.695 -0.149 + 392ALA HN 5560 -1.614 -1.752 -0.139 + 392ALA CA 5561 -1.428 -1.747 -0.236 + 392ALA HA 5562 -1.336 -1.748 -0.180 + 392ALA CB 5563 -1.460 -1.891 -0.280 + 392ALA HB1 5564 -1.556 -1.896 -0.336 + 392ALA HB2 5565 -1.468 -1.957 -0.191 + 392ALA HB3 5566 -1.380 -1.930 -0.345 + 392ALA C 5567 -1.406 -1.662 -0.358 + 392ALA O 5568 -1.292 -1.641 -0.403 + 393VAL N 5569 -1.514 -1.609 -0.416 + 393VAL HN 5570 -1.604 -1.625 -0.374 + 393VAL CA 5571 -1.511 -1.528 -0.536 + 393VAL HA 5572 -1.423 -1.552 -0.593 + 393VAL CB 5573 -1.634 -1.551 -0.623 + 393VAL HB 5574 -1.726 -1.518 -0.571 + 393VAL CG1 5575 -1.618 -1.474 -0.756 + 393VAL HG11 5576 -1.526 -1.507 -0.809 + 393VAL HG12 5577 -1.611 -1.364 -0.739 + 393VAL HG13 5578 -1.705 -1.493 -0.822 + 393VAL CG2 5579 -1.651 -1.702 -0.651 + 393VAL HG21 5580 -1.671 -1.758 -0.558 + 393VAL HG22 5581 -1.558 -1.743 -0.698 + 393VAL HG23 5582 -1.735 -1.719 -0.721 + 393VAL C 5583 -1.506 -1.382 -0.494 + 393VAL O 5584 -1.591 -1.334 -0.425 + 394ARG N 5585 -1.399 -1.310 -0.540 + 394ARG HN 5586 -1.326 -1.351 -0.592 + 394ARG CA 5587 -1.381 -1.170 -0.505 + 394ARG HA 5588 -1.461 -1.135 -0.441 + 394ARG CB 5589 -1.245 -1.150 -0.433 + 394ARG HB1 5590 -1.239 -1.043 -0.400 + 394ARG HB2 5591 -1.161 -1.166 -0.504 + 394ARG CG 5592 -1.223 -1.239 -0.309 + 394ARG HG1 5593 -1.321 -1.270 -0.267 + 394ARG HG2 5594 -1.173 -1.177 -0.231 + 394ARG CD 5595 -1.135 -1.362 -0.336 + 394ARG HD1 5596 -1.033 -1.333 -0.370 + 394ARG HD2 5597 -1.181 -1.423 -0.418 + 394ARG NE 5598 -1.129 -1.449 -0.216 + 394ARG HE 5599 -1.177 -1.534 -0.214 + 394ARG CZ 5600 -1.047 -1.425 -0.106 + 394ARG NH1 5601 -0.975 -1.322 -0.094 + 394ARG HH11 5602 -0.984 -1.242 -0.155 + 394ARG HH12 5603 -0.932 -1.301 -0.003 + 394ARG NH2 5604 -1.044 -1.520 -0.015 + 394ARG HH21 5605 -1.088 -1.606 -0.029 + 394ARG HH22 5606 -0.977 -1.507 0.061 + 394ARG C 5607 -1.385 -1.081 -0.630 + 394ARG O 5608 -1.378 -0.961 -0.625 + 395GLY N 5609 -1.401 -1.144 -0.749 + 395GLY HN 5610 -1.407 -1.242 -0.756 + 395GLY CA 5611 -1.411 -1.067 -0.872 + 395GLY HA1 5612 -1.318 -1.016 -0.889 + 395GLY HA2 5613 -1.495 -0.999 -0.865 + 395GLY C 5614 -1.437 -1.156 -0.989 + 395GLY O 5615 -1.471 -1.276 -0.973 + 396SER N 5616 -1.426 -1.103 -1.110 + 396SER HN 5617 -1.397 -1.007 -1.120 + 396SER CA 5618 -1.461 -1.173 -1.233 + 396SER HA 5619 -1.515 -1.264 -1.208 + 396SER CB 5620 -1.553 -1.087 -1.324 + 396SER HB1 5621 -1.643 -1.060 -1.263 + 396SER HB2 5622 -1.587 -1.145 -1.412 + 396SER OG 5623 -1.492 -0.965 -1.367 + 396SER HG1 5624 -1.412 -0.989 -1.416 + 396SER C 5625 -1.340 -1.215 -1.312 + 396SER O 5626 -1.356 -1.277 -1.420 + 397CYS N 5627 -1.218 -1.186 -1.268 + 397CYS HN 5628 -1.204 -1.140 -1.179 + 397CYS CA 5629 -1.096 -1.230 -1.333 + 397CYS HA 5630 -1.105 -1.201 -1.437 + 397CYS CB 5631 -0.968 -1.163 -1.277 + 397CYS HB1 5632 -0.878 -1.201 -1.329 + 397CYS HB2 5633 -0.956 -1.189 -1.169 + 397CYS SG 5634 -0.972 -0.982 -1.294 + 397CYS C 5635 -1.076 -1.380 -1.331 + 397CYS O 5636 -1.115 -1.451 -1.238 + 398SER N 5637 -1.012 -1.433 -1.436 + 398SER HN 5638 -0.979 -1.372 -1.507 + 398SER CA 5639 -0.975 -1.574 -1.445 + 398SER HA 5640 -1.064 -1.633 -1.433 + 398SER CB 5641 -0.908 -1.608 -1.582 + 398SER HB1 5642 -0.811 -1.554 -1.589 + 398SER HB2 5643 -0.976 -1.567 -1.661 + 398SER OG 5644 -0.890 -1.749 -1.602 + 398SER HG1 5645 -0.810 -1.765 -1.655 + 398SER C 5646 -0.875 -1.613 -1.337 + 398SER O 5647 -0.788 -1.538 -1.301 + 399THR N 5648 -0.883 -1.740 -1.291 + 399THR HN 5649 -0.955 -1.802 -1.321 + 399THR CA 5650 -0.791 -1.796 -1.192 + 399THR HA 5651 -0.783 -1.725 -1.110 + 399THR CB 5652 -0.839 -1.929 -1.137 + 399THR HB 5653 -0.760 -1.979 -1.075 + 399THR OG1 5654 -0.882 -2.017 -1.241 + 399THR HG1 5655 -0.910 -2.097 -1.194 + 399THR CG2 5656 -0.959 -1.903 -1.045 + 399THR HG21 5657 -1.042 -1.855 -1.101 + 399THR HG22 5658 -0.929 -1.833 -0.964 + 399THR HG23 5659 -0.996 -1.996 -0.998 + 399THR C 5660 -0.650 -1.817 -1.244 + 399THR O 5661 -0.558 -1.849 -1.172 + 400SER N 5662 -0.635 -1.801 -1.378 + 400SER HN 5663 -0.715 -1.780 -1.431 + 400SER CA 5664 -0.508 -1.812 -1.448 + 400SER HA 5665 -0.437 -1.866 -1.387 + 400SER CB 5666 -0.531 -1.886 -1.583 + 400SER HB1 5667 -0.585 -1.981 -1.562 + 400SER HB2 5668 -0.432 -1.912 -1.627 + 400SER OG 5669 -0.607 -1.808 -1.678 + 400SER HG1 5670 -0.541 -1.745 -1.711 + 400SER C 5671 -0.450 -1.676 -1.479 + 400SER O 5672 -0.355 -1.665 -1.557 + 401SER N 5673 -0.509 -1.567 -1.428 + 401SER HN 5674 -0.582 -1.576 -1.360 + 401SER CA 5675 -0.464 -1.431 -1.456 + 401SER HA 5676 -0.414 -1.431 -1.552 + 401SER CB 5677 -0.580 -1.328 -1.467 + 401SER HB1 5678 -0.655 -1.365 -1.539 + 401SER HB2 5679 -0.541 -1.231 -1.504 + 401SER OG 5680 -0.646 -1.302 -1.343 + 401SER HG1 5681 -0.679 -1.385 -1.303 + 401SER C 5682 -0.361 -1.384 -1.355 + 401SER O 5683 -0.338 -1.446 -1.253 + 402GLY N 5684 -0.294 -1.271 -1.388 + 402GLY HN 5685 -0.308 -1.226 -1.475 + 402GLY CA 5686 -0.213 -1.198 -1.291 + 402GLY HA1 5687 -0.264 -1.196 -1.195 + 402GLY HA2 5688 -0.197 -1.100 -1.331 + 402GLY C 5689 -0.076 -1.254 -1.267 + 402GLY O 5690 -0.012 -1.225 -1.168 + 403VAL N 5691 -0.027 -1.337 -1.361 + 403VAL HN 5692 -0.085 -1.365 -1.436 + 403VAL CA 5693 0.110 -1.385 -1.361 + 403VAL HA 5694 0.131 -1.424 -1.263 + 403VAL CB 5695 0.129 -1.500 -1.460 + 403VAL HB 5696 0.096 -1.467 -1.562 + 403VAL CG1 5697 0.278 -1.542 -1.469 + 403VAL HG11 5698 0.316 -1.569 -1.368 + 403VAL HG12 5699 0.341 -1.462 -1.512 + 403VAL HG13 5700 0.287 -1.631 -1.535 + 403VAL CG2 5701 0.041 -1.619 -1.417 + 403VAL HG21 5702 -0.067 -1.592 -1.417 + 403VAL HG22 5703 0.068 -1.651 -1.314 + 403VAL HG23 5704 0.056 -1.704 -1.486 + 403VAL C 5705 0.205 -1.270 -1.395 + 403VAL O 5706 0.192 -1.220 -1.509 + 404PRO N 5707 0.296 -1.223 -1.309 + 404PRO CD 5708 0.319 -1.280 -1.175 + 404PRO HD1 5709 0.373 -1.376 -1.183 + 404PRO HD2 5710 0.223 -1.294 -1.120 + 404PRO CA 5711 0.377 -1.103 -1.328 + 404PRO HA 5712 0.311 -1.018 -1.314 + 404PRO CB 5713 0.480 -1.108 -1.216 + 404PRO HB1 5714 0.513 -1.005 -1.188 + 404PRO HB2 5715 0.569 -1.169 -1.242 + 404PRO CG 5716 0.403 -1.176 -1.102 + 404PRO HG1 5717 0.470 -1.220 -1.026 + 404PRO HG2 5718 0.337 -1.100 -1.054 + 404PRO C 5719 0.438 -1.083 -1.465 + 404PRO O 5720 0.410 -0.985 -1.533 + 405ALA N 5721 0.514 -1.183 -1.513 + 405ALA HN 5722 0.533 -1.261 -1.453 + 405ALA CA 5723 0.583 -1.176 -1.640 + 405ALA HA 5724 0.649 -1.090 -1.634 + 405ALA CB 5725 0.663 -1.306 -1.664 + 405ALA HB1 5726 0.596 -1.394 -1.664 + 405ALA HB2 5727 0.738 -1.319 -1.582 + 405ALA HB3 5728 0.716 -1.302 -1.760 + 405ALA C 5729 0.489 -1.154 -1.757 + 405ALA O 5730 0.520 -1.079 -1.852 + 406GLN N 5731 0.373 -1.222 -1.756 + 406GLN HN 5732 0.350 -1.276 -1.675 + 406GLN CA 5733 0.269 -1.206 -1.854 + 406GLN HA 5734 0.315 -1.214 -1.951 + 406GLN CB 5735 0.163 -1.318 -1.842 + 406GLN HB1 5736 0.115 -1.314 -1.742 + 406GLN HB2 5737 0.218 -1.415 -1.848 + 406GLN CG 5738 0.054 -1.312 -1.952 + 406GLN HG1 5739 0.104 -1.303 -2.051 + 406GLN HG2 5740 -0.012 -1.224 -1.936 + 406GLN CD 5741 -0.033 -1.438 -1.951 + 406GLN OE1 5742 -0.049 -1.509 -1.853 + 406GLN NE2 5743 -0.095 -1.469 -2.069 + 406GLN HE21 5744 -0.075 -1.412 -2.151 + 406GLN HE22 5745 -0.143 -1.554 -2.072 + 406GLN C 5746 0.201 -1.069 -1.851 + 406GLN O 5747 0.184 -1.007 -1.957 + 407VAL N 5748 0.163 -1.017 -1.733 + 407VAL HN 5749 0.184 -1.064 -1.646 + 407VAL CA 5750 0.095 -0.888 -1.721 + 407VAL HA 5751 0.021 -0.886 -1.799 + 407VAL CB 5752 0.018 -0.867 -1.591 + 407VAL HB 5753 -0.031 -0.766 -1.594 + 407VAL CG1 5754 -0.092 -0.974 -1.580 + 407VAL HG11 5755 -0.047 -1.074 -1.563 + 407VAL HG12 5756 -0.154 -0.978 -1.671 + 407VAL HG13 5757 -0.157 -0.951 -1.493 + 407VAL CG2 5758 0.109 -0.868 -1.467 + 407VAL HG21 5759 0.190 -0.793 -1.472 + 407VAL HG22 5760 0.155 -0.968 -1.453 + 407VAL HG23 5761 0.050 -0.846 -1.375 + 407VAL C 5762 0.186 -0.771 -1.754 + 407VAL O 5763 0.146 -0.677 -1.823 + 408GLU N 5764 0.314 -0.776 -1.713 + 408GLU HN 5765 0.345 -0.850 -1.651 + 408GLU CA 5766 0.415 -0.679 -1.750 + 408GLU HA 5767 0.383 -0.581 -1.716 + 408GLU CB 5768 0.548 -0.716 -1.683 + 408GLU HB1 5769 0.633 -0.660 -1.728 + 408GLU HB2 5770 0.563 -0.825 -1.704 + 408GLU CG 5771 0.556 -0.693 -1.530 + 408GLU HG1 5772 0.462 -0.724 -1.479 + 408GLU HG2 5773 0.572 -0.586 -1.507 + 408GLU CD 5774 0.671 -0.775 -1.469 + 408GLU OE1 5775 0.738 -0.844 -1.552 + 408GLU OE2 5776 0.704 -0.766 -1.350 + 408GLU C 5777 0.438 -0.671 -1.900 + 408GLU O 5778 0.454 -0.564 -1.960 + 409SER N 5779 0.443 -0.788 -1.967 + 409SER HN 5780 0.432 -0.873 -1.914 + 409SER CA 5781 0.460 -0.798 -2.110 + 409SER HA 5782 0.540 -0.731 -2.138 + 409SER CB 5783 0.499 -0.942 -2.151 + 409SER HB1 5784 0.414 -1.012 -2.129 + 409SER HB2 5785 0.584 -0.974 -2.086 + 409SER OG 5786 0.539 -0.952 -2.287 + 409SER HG1 5787 0.460 -0.938 -2.342 + 409SER C 5788 0.340 -0.754 -2.192 + 409SER O 5789 0.353 -0.696 -2.299 + 410GLN N 5790 0.218 -0.785 -2.143 + 410GLN HN 5791 0.208 -0.832 -2.056 + 410GLN CA 5792 0.096 -0.760 -2.219 + 410GLN HA 5793 0.118 -0.763 -2.325 + 410GLN CB 5794 -0.008 -0.870 -2.188 + 410GLN HB1 5795 -0.108 -0.839 -2.227 + 410GLN HB2 5796 -0.016 -0.879 -2.077 + 410GLN CG 5797 0.027 -1.008 -2.251 + 410GLN HG1 5798 0.124 -1.043 -2.211 + 410GLN HG2 5799 0.035 -0.996 -2.361 + 410GLN CD 5800 -0.077 -1.115 -2.223 + 410GLN OE1 5801 -0.078 -1.225 -2.284 + 410GLN NE2 5802 -0.173 -1.092 -2.132 + 410GLN HE21 5803 -0.230 -1.163 -2.099 + 410GLN HE22 5804 -0.173 -0.998 -2.088 + 410GLN C 5805 0.033 -0.625 -2.193 + 410GLN O 5806 -0.043 -0.574 -2.276 + 411SER N 5807 0.066 -0.561 -2.080 + 411SER HN 5808 0.125 -0.605 -2.010 + 411SER CA 5809 0.011 -0.432 -2.044 + 411SER HA 5810 -0.018 -0.380 -2.134 + 411SER CB 5811 -0.116 -0.445 -1.955 + 411SER HB1 5812 -0.153 -0.346 -1.923 + 411SER HB2 5813 -0.090 -0.503 -1.863 + 411SER OG 5814 -0.221 -0.513 -2.025 + 411SER HG1 5815 -0.252 -0.456 -2.096 + 411SER C 5816 0.114 -0.342 -1.977 + 411SER O 5817 0.089 -0.296 -1.866 + 412PRO N 5818 0.227 -0.307 -2.039 + 412PRO CD 5819 0.263 -0.342 -2.177 + 412PRO HD1 5820 0.179 -0.321 -2.247 + 412PRO HD2 5821 0.292 -0.449 -2.181 + 412PRO CA 5822 0.331 -0.227 -1.974 + 412PRO HA 5823 0.352 -0.266 -1.875 + 412PRO CB 5824 0.450 -0.237 -2.071 + 412PRO HB1 5825 0.508 -0.329 -2.045 + 412PRO HB2 5826 0.519 -0.150 -2.066 + 412PRO CG 5827 0.386 -0.256 -2.209 + 412PRO HG1 5828 0.353 -0.157 -2.249 + 412PRO HG2 5829 0.452 -0.306 -2.283 + 412PRO C 5830 0.289 -0.082 -1.958 + 412PRO O 5831 0.346 -0.012 -1.875 + 413ASN N 5832 0.193 -0.036 -2.039 + 413ASN HN 5833 0.151 -0.099 -2.104 + 413ASN CA 5834 0.148 0.102 -2.043 + 413ASN HA 5835 0.227 0.166 -2.004 + 413ASN CB 5836 0.112 0.144 -2.188 + 413ASN HB1 5837 0.083 0.251 -2.192 + 413ASN HB2 5838 0.027 0.083 -2.227 + 413ASN CG 5839 0.230 0.122 -2.283 + 413ASN OD1 5840 0.224 0.042 -2.376 + 413ASN ND2 5841 0.343 0.192 -2.258 + 413ASN HD21 5842 0.422 0.176 -2.316 + 413ASN HD22 5843 0.354 0.244 -2.172 + 413ASN C 5844 0.028 0.122 -1.952 + 413ASN O 5845 -0.038 0.225 -1.956 + 414ALA N 5846 -0.002 0.021 -1.867 + 414ALA HN 5847 0.054 -0.062 -1.867 + 414ALA CA 5848 -0.092 0.031 -1.755 + 414ALA HA 5849 -0.188 0.062 -1.793 + 414ALA CB 5850 -0.104 -0.105 -1.685 + 414ALA HB1 5851 -0.005 -0.142 -1.651 + 414ALA HB2 5852 -0.147 -0.181 -1.755 + 414ALA HB3 5853 -0.171 -0.099 -1.597 + 414ALA C 5854 -0.045 0.136 -1.654 + 414ALA O 5855 0.073 0.159 -1.635 + 415LYS N 5856 -0.140 0.203 -1.587 + 415LYS HN 5857 -0.237 0.182 -1.596 + 415LYS CA 5858 -0.102 0.305 -1.492 + 415LYS HA 5859 -0.021 0.267 -1.431 + 415LYS CB 5860 -0.060 0.439 -1.558 + 415LYS HB1 5861 0.026 0.419 -1.626 + 415LYS HB2 5862 -0.022 0.507 -1.479 + 415LYS CG 5863 -0.169 0.513 -1.637 + 415LYS HG1 5864 -0.260 0.525 -1.575 + 415LYS HG2 5865 -0.196 0.453 -1.727 + 415LYS CD 5866 -0.119 0.652 -1.679 + 415LYS HD1 5867 -0.032 0.639 -1.747 + 415LYS HD2 5868 -0.080 0.703 -1.587 + 415LYS CE 5869 -0.227 0.738 -1.744 + 415LYS HE1 5870 -0.316 0.744 -1.678 + 415LYS HE2 5871 -0.258 0.693 -1.842 + 415LYS NZ 5872 -0.177 0.874 -1.768 + 415LYS HZ1 5873 -0.090 0.871 -1.825 + 415LYS HZ2 5874 -0.152 0.918 -1.676 + 415LYS HZ3 5875 -0.249 0.932 -1.815 + 415LYS C 5876 -0.217 0.330 -1.398 + 415LYS O 5877 -0.333 0.299 -1.426 + 416VAL N 5878 -0.186 0.393 -1.284 + 416VAL HN 5879 -0.090 0.417 -1.265 + 416VAL CA 5880 -0.284 0.442 -1.190 + 416VAL HA 5881 -0.384 0.429 -1.231 + 416VAL CB 5882 -0.278 0.371 -1.055 + 416VAL HB 5883 -0.283 0.261 -1.076 + 416VAL CG1 5884 -0.146 0.398 -0.981 + 416VAL HG11 5885 -0.138 0.504 -0.950 + 416VAL HG12 5886 -0.059 0.372 -1.045 + 416VAL HG13 5887 -0.141 0.335 -0.889 + 416VAL CG2 5888 -0.401 0.408 -0.969 + 416VAL HG21 5889 -0.496 0.389 -1.023 + 416VAL HG22 5890 -0.398 0.515 -0.938 + 416VAL HG23 5891 -0.402 0.347 -0.876 + 416VAL C 5892 -0.260 0.591 -1.179 + 416VAL O 5893 -0.148 0.640 -1.191 + 417THR N 5894 -0.368 0.669 -1.163 + 417THR HN 5895 -0.459 0.629 -1.155 + 417THR CA 5896 -0.354 0.812 -1.137 + 417THR HA 5897 -0.252 0.835 -1.110 + 417THR CB 5898 -0.393 0.901 -1.255 + 417THR HB 5899 -0.500 0.883 -1.282 + 417THR OG1 5900 -0.312 0.871 -1.368 + 417THR HG1 5901 -0.315 0.775 -1.373 + 417THR CG2 5902 -0.372 1.049 -1.223 + 417THR HG21 5903 -0.267 1.068 -1.190 + 417THR HG22 5904 -0.440 1.084 -1.143 + 417THR HG23 5905 -0.390 1.111 -1.313 + 417THR C 5906 -0.439 0.845 -1.018 + 417THR O 5907 -0.559 0.820 -1.018 + 418PHE N 5908 -0.377 0.903 -0.915 + 418PHE HN 5909 -0.280 0.926 -0.921 + 418PHE CA 5910 -0.444 0.952 -0.796 + 418PHE HA 5911 -0.547 0.917 -0.794 + 418PHE CB 5912 -0.372 0.912 -0.664 + 418PHE HB1 5913 -0.426 0.951 -0.576 + 418PHE HB2 5914 -0.269 0.954 -0.663 + 418PHE CG 5915 -0.362 0.763 -0.651 + 418PHE CD1 5916 -0.474 0.688 -0.611 + 418PHE HD1 5917 -0.568 0.738 -0.594 + 418PHE CE1 5918 -0.466 0.550 -0.594 + 418PHE HE1 5919 -0.553 0.493 -0.563 + 418PHE CZ 5920 -0.344 0.484 -0.615 + 418PHE HZ 5921 -0.336 0.378 -0.600 + 418PHE CD2 5922 -0.240 0.696 -0.670 + 418PHE HD2 5923 -0.152 0.752 -0.698 + 418PHE CE2 5924 -0.231 0.557 -0.653 + 418PHE HE2 5925 -0.137 0.506 -0.667 + 418PHE C 5926 -0.445 1.102 -0.807 + 418PHE O 5927 -0.353 1.163 -0.865 + 419SER N 5928 -0.548 1.169 -0.757 + 419SER HN 5929 -0.626 1.122 -0.712 + 419SER CA 5930 -0.551 1.314 -0.761 + 419SER HA 5931 -0.453 1.348 -0.729 + 419SER CB 5932 -0.583 1.373 -0.902 + 419SER HB1 5933 -0.500 1.345 -0.970 + 419SER HB2 5934 -0.587 1.484 -0.899 + 419SER OG 5935 -0.704 1.321 -0.957 + 419SER HG1 5936 -0.696 1.225 -0.950 + 419SER C 5937 -0.648 1.365 -0.659 + 419SER O 5938 -0.725 1.291 -0.601 + 420ASN N 5939 -0.643 1.497 -0.630 + 420ASN HN 5940 -0.570 1.551 -0.672 + 420ASN CA 5941 -0.746 1.567 -0.553 + 420ASN HA 5942 -0.712 1.669 -0.546 + 420ASN CB 5943 -0.882 1.563 -0.629 + 420ASN HB1 5944 -0.928 1.463 -0.617 + 420ASN HB2 5945 -0.863 1.578 -0.737 + 420ASN CG 5946 -0.982 1.670 -0.585 + 420ASN OD1 5947 -0.951 1.773 -0.525 + 420ASN ND2 5948 -1.111 1.646 -0.619 + 420ASN HD21 5949 -1.133 1.559 -0.665 + 420ASN HD22 5950 -1.184 1.696 -0.571 + 420ASN C 5951 -0.759 1.517 -0.410 + 420ASN O 5952 -0.868 1.496 -0.359 + 421ILE N 5953 -0.645 1.498 -0.341 + 421ILE HN 5954 -0.556 1.510 -0.384 + 421ILE CA 5955 -0.644 1.460 -0.201 + 421ILE HA 5956 -0.711 1.375 -0.190 + 421ILE CB 5957 -0.506 1.412 -0.154 + 421ILE HB 5958 -0.431 1.490 -0.179 + 421ILE CG2 5959 -0.506 1.391 -0.000 + 421ILE HG21 5960 -0.590 1.325 0.029 + 421ILE HG22 5961 -0.516 1.487 0.055 + 421ILE HG23 5962 -0.411 1.344 0.033 + 421ILE CG1 5963 -0.468 1.281 -0.229 + 421ILE HG11 5964 -0.492 1.291 -0.337 + 421ILE HG12 5965 -0.532 1.199 -0.189 + 421ILE CD 5966 -0.320 1.244 -0.215 + 421ILE HD1 5967 -0.291 1.234 -0.109 + 421ILE HD2 5968 -0.255 1.321 -0.262 + 421ILE HD3 5969 -0.301 1.146 -0.265 + 421ILE C 5970 -0.699 1.570 -0.112 + 421ILE O 5971 -0.655 1.686 -0.118 + 422LYS N 5972 -0.797 1.537 -0.028 + 422LYS HN 5973 -0.832 1.442 -0.026 + 422LYS CA 5974 -0.858 1.631 0.062 + 422LYS HA 5975 -0.789 1.711 0.082 + 422LYS CB 5976 -0.994 1.686 0.012 + 422LYS HB1 5977 -1.023 1.770 0.079 + 422LYS HB2 5978 -1.072 1.607 0.020 + 422LYS CG 5979 -0.995 1.732 -0.135 + 422LYS HG1 5980 -0.981 1.643 -0.199 + 422LYS HG2 5981 -0.908 1.799 -0.155 + 422LYS CD 5982 -1.125 1.802 -0.179 + 422LYS HD1 5983 -1.209 1.729 -0.167 + 422LYS HD2 5984 -1.116 1.825 -0.287 + 422LYS CE 5985 -1.158 1.930 -0.100 + 422LYS HE1 5986 -1.075 2.003 -0.108 + 422LYS HE2 5987 -1.175 1.906 0.007 + 422LYS NZ 5988 -1.281 1.992 -0.151 + 422LYS HZ1 5989 -1.360 1.925 -0.139 + 422LYS HZ2 5990 -1.271 2.015 -0.252 + 422LYS HZ3 5991 -1.307 2.079 -0.099 + 422LYS C 5992 -0.881 1.556 0.191 + 422LYS O 5993 -0.921 1.442 0.194 + 423PHE N 5994 -0.849 1.624 0.304 + 423PHE HN 5995 -0.812 1.716 0.300 + 423PHE CA 5996 -0.854 1.562 0.433 + 423PHE HA 5997 -0.926 1.480 0.433 + 423PHE CB 5998 -0.713 1.506 0.467 + 423PHE HB1 5999 -0.637 1.584 0.444 + 423PHE HB2 6000 -0.692 1.418 0.403 + 423PHE CG 6001 -0.697 1.465 0.611 + 423PHE CD1 6002 -0.751 1.343 0.657 + 423PHE HD1 6003 -0.805 1.279 0.588 + 423PHE CE1 6004 -0.735 1.304 0.790 + 423PHE HE1 6005 -0.776 1.211 0.824 + 423PHE CZ 6006 -0.664 1.387 0.879 + 423PHE HZ 6007 -0.651 1.355 0.981 + 423PHE CD2 6008 -0.626 1.546 0.701 + 423PHE HD2 6009 -0.583 1.639 0.665 + 423PHE CE2 6010 -0.609 1.508 0.834 + 423PHE HE2 6011 -0.552 1.569 0.902 + 423PHE C 6012 -0.906 1.663 0.532 + 423PHE O 6013 -0.858 1.778 0.537 + 424GLY N 6014 -1.006 1.629 0.613 + 424GLY HN 6015 -1.046 1.536 0.611 + 424GLY CA 6016 -1.059 1.722 0.711 + 424GLY HA1 6017 -1.123 1.792 0.660 + 424GLY HA2 6018 -0.978 1.768 0.765 + 424GLY C 6019 -1.144 1.643 0.808 + 424GLY O 6020 -1.153 1.524 0.795 + 425PRO N 6021 -1.207 1.711 0.905 + 425PRO CD 6022 -1.178 1.849 0.941 + 425PRO HD1 6023 -1.219 1.917 0.863 + 425PRO HD2 6024 -1.069 1.865 0.954 + 425PRO CA 6025 -1.322 1.658 0.979 + 425PRO HA 6026 -1.283 1.581 1.044 + 425PRO CB 6027 -1.376 1.780 1.054 + 425PRO HB1 6028 -1.423 1.751 1.151 + 425PRO HB2 6029 -1.450 1.835 0.992 + 425PRO CG 6030 -1.252 1.868 1.074 + 425PRO HG1 6031 -1.277 1.974 1.095 + 425PRO HG2 6032 -1.191 1.826 1.157 + 425PRO C 6033 -1.429 1.592 0.895 + 425PRO O 6034 -1.442 1.624 0.776 + 426ILE N 6035 -1.509 1.502 0.953 + 426ILE HN 6036 -1.495 1.480 1.049 + 426ILE CA 6037 -1.620 1.437 0.884 + 426ILE HA 6038 -1.578 1.389 0.796 + 426ILE CB 6039 -1.684 1.327 0.968 + 426ILE HB 6040 -1.715 1.371 1.065 + 426ILE CG2 6041 -1.810 1.270 0.901 + 426ILE HG21 6042 -1.784 1.229 0.801 + 426ILE HG22 6043 -1.890 1.346 0.888 + 426ILE HG23 6044 -1.854 1.187 0.961 + 426ILE CG1 6045 -1.579 1.217 0.995 + 426ILE HG11 6046 -1.483 1.261 1.030 + 426ILE HG12 6047 -1.557 1.166 0.899 + 426ILE CD 6048 -1.622 1.114 1.099 + 426ILE HD1 6049 -1.713 1.059 1.066 + 426ILE HD2 6050 -1.642 1.162 1.197 + 426ILE HD3 6051 -1.541 1.040 1.113 + 426ILE C 6052 -1.724 1.535 0.832 + 426ILE O 6053 -1.781 1.614 0.909 + 427GLY N 6054 -1.751 1.532 0.700 + 427GLY HN 6055 -1.702 1.466 0.641 + 427GLY CA 6056 -1.845 1.621 0.633 + 427GLY HA1 6057 -1.927 1.643 0.700 + 427GLY HA2 6058 -1.876 1.572 0.542 + 427GLY C 6059 -1.784 1.752 0.593 + 427GLY O 6060 -1.855 1.854 0.580 + 428SER N 6061 -1.651 1.758 0.572 + 428SER HN 6062 -1.597 1.674 0.581 + 428SER CA 6063 -1.585 1.882 0.533 + 428SER HA 6064 -1.659 1.960 0.523 + 428SER CB 6065 -1.482 1.933 0.638 + 428SER HB1 6066 -1.533 1.942 0.737 + 428SER HB2 6067 -1.447 2.034 0.609 + 428SER OG 6068 -1.369 1.848 0.651 + 428SER HG1 6069 -1.401 1.763 0.688 + 428SER C 6070 -1.516 1.875 0.400 + 428SER O 6071 -1.481 1.980 0.343 + 429THR N 6072 -1.497 1.756 0.340 + 429THR HN 6073 -1.529 1.670 0.384 + 429THR CA 6074 -1.413 1.743 0.221 + 429THR HA 6075 -1.339 1.821 0.223 + 429THR CB 6076 -1.336 1.612 0.214 + 429THR HB 6077 -1.277 1.606 0.120 + 429THR OG1 6078 -1.422 1.498 0.219 + 429THR HG1 6079 -1.467 1.498 0.306 + 429THR CG2 6080 -1.237 1.603 0.331 + 429THR HG21 6081 -1.291 1.602 0.429 + 429THR HG22 6082 -1.167 1.688 0.331 + 429THR HG23 6083 -1.179 1.508 0.325 + 429THR C 6084 -1.490 1.763 0.093 + 429THR O 6085 -1.432 1.776 -0.016 + 430GLY N 6086 -1.624 1.776 0.102 + 430GLY HN 6087 -1.668 1.761 0.192 + 430GLY CA 6088 -1.710 1.815 -0.009 + 430GLY HA1 6089 -1.812 1.795 0.020 + 430GLY HA2 6090 -1.680 1.762 -0.098 + 430GLY C 6091 -1.702 1.962 -0.036 + 430GLY O 6092 -1.715 2.007 -0.151 + 431ASN N 6093 -1.680 2.041 0.069 + 431ASN HN 6094 -1.665 1.999 0.158 + 431ASN CA 6095 -1.676 2.186 0.067 + 431ASN HA 6096 -1.771 2.214 0.023 + 431ASN CB 6097 -1.668 2.244 0.211 + 431ASN HB1 6098 -1.670 2.355 0.207 + 431ASN HB2 6099 -1.573 2.212 0.259 + 431ASN CG 6100 -1.789 2.200 0.292 + 431ASN OD1 6101 -1.902 2.193 0.245 + 431ASN ND2 6102 -1.766 2.165 0.421 + 431ASN HD21 6103 -1.844 2.125 0.471 + 431ASN HD22 6104 -1.675 2.171 0.458 + 431ASN C 6105 -1.564 2.241 -0.024 + 431ASN O 6106 -1.460 2.174 -0.038 + 432PRO N 6107 -1.582 2.355 -0.091 + 432PRO CD 6108 -1.700 2.442 -0.076 + 432PRO HD1 6109 -1.696 2.491 0.024 + 432PRO HD2 6110 -1.795 2.386 -0.088 + 432PRO CA 6111 -1.486 2.414 -0.184 + 432PRO HA 6112 -1.497 2.356 -0.275 + 432PRO CB 6113 -1.535 2.559 -0.203 + 432PRO HB1 6114 -1.505 2.601 -0.301 + 432PRO HB2 6115 -1.495 2.623 -0.121 + 432PRO CG 6116 -1.686 2.547 -0.186 + 432PRO HG1 6117 -1.734 2.643 -0.158 + 432PRO HG2 6118 -1.732 2.508 -0.280 + 432PRO C 6119 -1.338 2.407 -0.151 + 432PRO O 6120 -1.297 2.436 -0.039 + 433SER N 6121 -1.255 2.369 -0.249 + 433SER HN 6122 -1.291 2.343 -0.338 + 433SER CA 6123 -1.111 2.379 -0.239 + 433SER HA 6124 -1.081 2.332 -0.146 + 433SER CB 6125 -1.039 2.306 -0.354 + 433SER HB1 6126 -0.929 2.313 -0.340 + 433SER HB2 6127 -1.064 2.355 -0.451 + 433SER OG 6128 -1.078 2.168 -0.360 + 433SER HG1 6129 -1.018 2.131 -0.426 + 433SER C 6130 -1.060 2.522 -0.235 + 433SER O 6131 -1.117 2.610 -0.303 + 434GLY N 6132 -0.952 2.549 -0.161 + 434GLY HN 6133 -0.903 2.476 -0.112 + 434GLY CA 6134 -0.886 2.679 -0.153 + 434GLY HA1 6135 -0.918 2.727 -0.061 + 434GLY HA2 6136 -0.910 2.737 -0.241 + 434GLY C 6137 -0.733 2.661 -0.149 + 434GLY OT1 6138 -0.679 2.585 -0.234 + 434GLY OT2 6139 -0.666 2.723 -0.062 + 1BGLC C1 6140 -0.706 -1.426 0.189 + 1BGLC H1 6141 -0.691 -1.434 0.299 + 1BGLC O1 6142 -0.753 -1.549 0.139 + 1BGLC HO1 6143 -0.691 -1.613 0.175 + 1BGLC C5 6144 -0.763 -1.201 0.224 + 1BGLC H5 6145 -0.746 -1.222 0.333 + 1BGLC O5 6146 -0.799 -1.324 0.157 + 1BGLC C2 6147 -0.576 -1.389 0.119 + 1BGLC H2 6148 -0.600 -1.378 0.011 + 1BGLC O2 6149 -0.473 -1.490 0.129 + 1BGLC HO2 6150 -0.395 -1.450 0.090 + 1BGLC C3 6151 -0.524 -1.255 0.167 + 1BGLC H3 6152 -0.490 -1.267 0.273 + 1BGLC O3 6153 -0.411 -1.215 0.089 + 1BGLC HO3 6154 -0.374 -1.134 0.128 + 1BGLC C4 6155 -0.632 -1.148 0.166 + 1BGLC H4 6156 -0.653 -1.116 0.062 + 1BGLC O4 6157 -0.590 -1.038 0.247 + 1BGLC C6 6158 -0.880 -1.105 0.218 + 1BGLC H61 6159 -0.855 -1.011 0.274 + 1BGLC H62 6160 -0.967 -1.150 0.271 + 1BGLC O6 6161 -0.922 -1.072 0.085 + 1BGLC HO6 6162 -0.990 -1.003 0.096 + 2BGLC C1 6163 -0.523 -0.933 0.181 + 2BGLC H1 6164 -0.555 -0.926 0.075 + 2BGLC C5 6165 -0.309 -0.850 0.119 + 2BGLC H5 6166 -0.350 -0.843 0.016 + 2BGLC O5 6167 -0.381 -0.953 0.190 + 2BGLC C2 6168 -0.556 -0.803 0.252 + 2BGLC H2 6169 -0.521 -0.812 0.357 + 2BGLC O2 6170 -0.698 -0.783 0.254 + 2BGLC HO2 6171 -0.727 -0.789 0.347 + 2BGLC C3 6172 -0.481 -0.687 0.188 + 2BGLC H3 6173 -0.516 -0.678 0.082 + 2BGLC O3 6174 -0.512 -0.566 0.255 + 2BGLC HO3 6175 -0.484 -0.482 0.213 + 2BGLC C4 6176 -0.332 -0.715 0.188 + 2BGLC H4 6177 -0.295 -0.721 0.293 + 2BGLC O4 6178 -0.257 -0.617 0.115 + 2BGLC C6 6179 -0.164 -0.891 0.108 + 2BGLC H61 6180 -0.116 -0.886 0.208 + 2BGLC H62 6181 -0.109 -0.821 0.041 + 2BGLC O6 6182 -0.149 -1.025 0.058 + 2BGLC HO6 6183 -0.169 -1.026 -0.036 + 3BGLC C1 6184 -0.204 -0.507 0.187 + 3BGLC H1 6185 -0.270 -0.482 0.273 + 3BGLC C5 6186 -0.098 -0.309 0.089 + 3BGLC H5 6187 -0.089 -0.248 0.182 + 3BGLC O5 6188 -0.212 -0.395 0.097 + 3BGLC C2 6189 -0.066 -0.548 0.243 + 3BGLC H2 6190 -0.044 -0.647 0.196 + 3BGLC O2 6191 -0.069 -0.573 0.384 + 3BGLC HO2 6192 -0.078 -0.488 0.432 + 3BGLC C3 6193 0.052 -0.461 0.204 + 3BGLC H3 6194 0.064 -0.380 0.281 + 3BGLC O3 6195 0.174 -0.537 0.204 + 3BGLC HO3 6196 0.233 -0.503 0.275 + 3BGLC C4 6197 0.026 -0.394 0.072 + 3BGLC H4 6198 0.003 -0.473 -0.004 + 3BGLC O4 6199 0.134 -0.311 0.027 + 3BGLC C6 6200 -0.125 -0.213 -0.026 + 3BGLC H61 6201 -0.036 -0.151 -0.047 + 3BGLC H62 6202 -0.207 -0.145 0.005 + 3BGLC O6 6203 -0.165 -0.282 -0.145 + 3BGLC HO6 6204 -0.243 -0.332 -0.116 + 4BGLC C1 6205 0.197 -0.364 -0.087 + 4BGLC H1 6206 0.121 -0.390 -0.165 + 4BGLC C5 6207 0.327 -0.548 -0.162 + 4BGLC H5 6208 0.244 -0.573 -0.232 + 4BGLC O5 6209 0.277 -0.476 -0.050 + 4BGLC C2 6210 0.295 -0.262 -0.140 + 4BGLC H2 6211 0.368 -0.243 -0.058 + 4BGLC O2 6212 0.232 -0.136 -0.172 + 4BGLC HO2 6213 0.211 -0.093 -0.087 + 4BGLC C3 6214 0.368 -0.321 -0.259 + 4BGLC H3 6215 0.291 -0.336 -0.339 + 4BGLC O3 6216 0.469 -0.234 -0.310 + 4BGLC HO3 6217 0.485 -0.262 -0.401 + 4BGLC C4 6218 0.428 -0.457 -0.230 + 4BGLC H4 6219 0.514 -0.444 -0.160 + 4BGLC O4 6220 0.472 -0.513 -0.355 + 4BGLC C6 6221 0.385 -0.675 -0.105 + 4BGLC H61 6222 0.461 -0.651 -0.027 + 4BGLC H62 6223 0.435 -0.734 -0.185 + 4BGLC O6 6224 0.284 -0.758 -0.046 + 4BGLC HO6 6225 0.243 -0.707 0.026 + 5BGLC C1 6226 0.604 -0.561 -0.357 + 5BGLC H1 6227 0.613 -0.648 -0.289 + 5BGLC C5 6228 0.831 -0.509 -0.321 + 5BGLC H5 6229 0.835 -0.609 -0.272 + 5BGLC O5 6230 0.697 -0.459 -0.319 + 5BGLC C2 6231 0.632 -0.605 -0.501 + 5BGLC H2 6232 0.607 -0.518 -0.567 + 5BGLC O2 6233 0.549 -0.715 -0.541 + 5BGLC HO2 6234 0.486 -0.690 -0.611 + 5BGLC C3 6235 0.779 -0.638 -0.521 + 5BGLC H3 6236 0.801 -0.731 -0.463 + 5BGLC O3 6237 0.809 -0.668 -0.658 + 5BGLC HO3 6238 0.749 -0.736 -0.689 + 5BGLC C4 6239 0.866 -0.527 -0.468 + 5BGLC H4 6240 0.842 -0.434 -0.524 + 5BGLC O4 6241 1.006 -0.558 -0.479 + 5BGLC C6 6242 0.925 -0.419 -0.242 + 5BGLC H61 6243 0.919 -0.315 -0.283 + 5BGLC H62 6244 1.029 -0.455 -0.255 + 5BGLC O6 6245 0.895 -0.417 -0.102 + 5BGLC HO6 6246 0.904 -0.507 -0.064 + 6BGLC C1 6247 1.080 -0.454 -0.537 + 6BGLC H1 6248 1.051 -0.357 -0.489 + 6BGLC C5 6249 1.116 -0.331 -0.735 + 6BGLC H5 6250 1.080 -0.243 -0.677 + 6BGLC O5 6251 1.058 -0.449 -0.678 + 6BGLC C2 6252 1.228 -0.479 -0.519 + 6BGLC H2 6253 1.253 -0.571 -0.577 + 6BGLC O2 6254 1.265 -0.501 -0.382 + 6BGLC HO2 6255 1.326 -0.575 -0.380 + 6BGLC C3 6256 1.307 -0.363 -0.578 + 6BGLC H3 6257 1.279 -0.272 -0.521 + 6BGLC O3 6258 1.449 -0.381 -0.566 + 6BGLC HO3 6259 1.489 -0.298 -0.598 + 6BGLC C4 6260 1.267 -0.341 -0.722 + 6BGLC H4 6261 1.301 -0.427 -0.784 + 6BGLC O4 6262 1.320 -0.218 -0.770 + 6BGLC C6 6263 1.064 -0.313 -0.877 + 6BGLC H61 6264 1.076 -0.206 -0.908 + 6BGLC H62 6265 0.955 -0.336 -0.879 + 6BGLC O6 6266 1.132 -0.394 -0.974 + 6BGLC HO6 6267 1.212 -0.350 -1.004 + 7BGLC C1 6268 1.439 -0.224 -0.842 + 7BGLC H1 6269 1.446 -0.318 -0.902 + 7BGLC C5 6270 1.676 -0.215 -0.824 + 7BGLC H5 6271 1.678 -0.305 -0.891 + 7BGLC O5 6272 1.551 -0.210 -0.753 + 7BGLC C2 6273 1.433 -0.103 -0.933 + 7BGLC H2 6274 1.407 -0.015 -0.869 + 7BGLC O2 6275 1.329 -0.120 -1.031 + 7BGLC HO2 6276 1.264 -0.048 -1.026 + 7BGLC C3 6277 1.566 -0.073 -1.000 + 7BGLC H3 6278 1.577 -0.147 -1.084 + 7BGLC O3 6279 1.564 0.058 -1.055 + 7BGLC HO3 6280 1.629 0.064 -1.126 + 7BGLC C4 6281 1.685 -0.090 -0.910 + 7BGLC H4 6282 1.692 -0.002 -0.841 + 7BGLC O4 6283 1.804 -0.102 -0.990 + 7BGLC C6 6284 1.789 -0.225 -0.724 + 7BGLC H61 6285 1.780 -0.140 -0.652 + 7BGLC H62 6286 1.887 -0.214 -0.777 + 7BGLC O6 6287 1.791 -0.347 -0.649 + 7BGLC HO6 6288 1.811 -0.421 -0.708 + 8BGLC C1 6289 1.890 0.009 -0.988 + 8BGLC H1 6290 1.909 0.041 -0.882 + 8BGLC C5 6291 1.921 0.232 -1.061 + 8BGLC H5 6292 1.942 0.255 -0.954 + 8BGLC O5 6293 1.838 0.116 -1.067 + 8BGLC C2 6294 2.020 -0.035 -1.053 + 8BGLC H2 6295 1.995 -0.071 -1.155 + 8BGLC O2 6296 2.079 -0.145 -0.981 + 8BGLC HO2 6297 2.138 -0.193 -1.042 + 8BGLC C3 6298 2.118 0.080 -1.066 + 8BGLC H3 6299 2.150 0.110 -0.964 + 8BGLC O3 6300 2.235 0.042 -1.139 + 8BGLC HO3 6301 2.299 0.114 -1.132 + 8BGLC C4 6302 2.053 0.201 -1.131 + 8BGLC H4 6303 2.031 0.176 -1.238 + 8BGLC O4 6304 2.138 0.315 -1.127 + 8BGLC HO4 6305 2.114 0.375 -1.199 + 8BGLC C6 6306 1.847 0.351 -1.118 + 8BGLC H61 6307 1.901 0.444 -1.090 + 8BGLC H62 6308 1.745 0.357 -1.073 + 8BGLC O6 6309 1.838 0.347 -1.261 + 8BGLC HO6 6310 1.773 0.279 -1.289 + 1TIP3 OH2 6311 -3.158 -3.372 -3.629 + 1TIP3 H1 6312 -3.161 -3.275 -3.620 + 1TIP3 H2 6313 -3.237 -3.387 -3.684 + 2TIP3 OH2 6314 -3.276 -3.423 -3.320 + 2TIP3 H1 6315 -3.276 -3.477 -3.240 + 2TIP3 H2 6316 -3.303 -3.487 -3.387 + 3TIP3 OH2 6317 -4.028 -3.463 -3.156 + 3TIP3 H1 6318 -4.033 -3.537 -3.092 + 3TIP3 H2 6319 -3.959 -3.408 -3.116 + 4TIP3 OH2 6320 -2.928 -3.166 -3.453 + 4TIP3 H1 6321 -2.954 -3.233 -3.387 + 4TIP3 H2 6322 -2.839 -3.141 -3.424 + 5TIP3 OH2 6323 -3.959 -3.001 -3.307 + 5TIP3 H1 6324 -3.988 -3.091 -3.332 + 5TIP3 H2 6325 -3.867 -3.017 -3.283 + 6TIP3 OH2 6326 -4.213 -3.615 -3.872 + 6TIP3 H1 6327 -4.231 -3.533 -3.823 + 6TIP3 H2 6328 -4.303 -3.641 -3.897 + 7TIP3 OH2 6329 -4.206 -3.429 -3.604 + 7TIP3 H1 6330 -4.188 -3.489 -3.530 + 7TIP3 H2 6331 -4.121 -3.384 -3.615 + 8TIP3 OH2 6332 -3.198 -2.738 -3.375 + 8TIP3 H1 6333 -3.220 -2.687 -3.419 + 8TIP3 H2 6334 -3.287 -2.757 -3.329 + 9TIP3 OH2 6335 -3.425 -3.171 -3.266 + 9TIP3 H1 6336 -3.392 -3.244 -3.319 + 9TIP3 H2 6337 -3.345 -3.155 -3.211 + 10TIP3 OH2 6338 -2.572 -4.016 -3.207 + 10TIP3 H1 6339 -2.537 -3.974 -3.127 + 10TIP3 H2 6340 -2.505 -3.987 -3.272 + 11TIP3 OH2 6341 -3.098 -3.740 -3.212 + 11TIP3 H1 6342 -3.078 -3.835 -3.209 + 11TIP3 H2 6343 -3.106 -3.725 -3.307 + 12TIP3 OH2 6344 -3.803 -3.941 -3.502 + 12TIP3 H1 6345 -3.784 -3.857 -3.547 + 12TIP3 H2 6346 -3.833 -3.995 -3.577 + 13TIP3 OH2 6347 -3.013 -3.923 -3.671 + 13TIP3 H1 6348 -2.953 -3.966 -3.607 + 13TIP3 H2 6349 -2.949 -3.878 -3.728 + 14TIP3 OH2 6350 -4.139 -3.663 -3.451 + 14TIP3 H1 6351 -4.080 -3.705 -3.386 + 14TIP3 H2 6352 -4.120 -3.717 -3.530 + 15TIP3 OH2 6353 -3.592 -3.526 -3.509 + 15TIP3 H1 6354 -3.521 -3.580 -3.469 + 15TIP3 H2 6355 -3.643 -3.593 -3.557 + 16TIP3 OH2 6356 -2.477 -3.848 -2.944 + 16TIP3 H1 6357 -2.554 -3.797 -2.974 + 16TIP3 H2 6358 -2.512 -3.888 -2.863 + 17TIP3 OH2 6359 -3.917 -4.052 -3.082 + 17TIP3 H1 6360 -3.957 -4.008 -3.159 + 17TIP3 H2 6361 -3.987 -4.035 -3.015 + 18TIP3 OH2 6362 -3.187 -3.111 -3.745 + 18TIP3 H1 6363 -3.198 -3.122 -3.840 + 18TIP3 H2 6364 -3.220 -3.022 -3.729 + 19TIP3 OH2 6365 -3.626 -3.270 -3.078 + 19TIP3 H1 6366 -3.698 -3.210 -3.050 + 19TIP3 H2 6367 -3.563 -3.208 -3.118 + 20TIP3 OH2 6368 -2.825 -4.012 -3.467 + 20TIP3 H1 6369 -2.871 -4.061 -3.398 + 20TIP3 H2 6370 -2.771 -3.950 -3.415 + 21TIP3 OH2 6371 -3.958 -3.851 -3.295 + 21TIP3 H1 6372 -3.894 -3.793 -3.250 + 21TIP3 H2 6373 -3.902 -3.888 -3.366 + 22TIP3 OH2 6374 -3.828 -3.084 -3.005 + 22TIP3 H1 6375 -3.829 -2.990 -3.034 + 22TIP3 H2 6376 -3.916 -3.089 -2.963 + 23TIP3 OH2 6377 -4.183 -3.120 -3.917 + 23TIP3 H1 6378 -4.261 -3.100 -3.973 + 23TIP3 H2 6379 -4.196 -3.058 -3.842 + 24TIP3 OH2 6380 -2.843 -2.960 -3.213 + 24TIP3 H1 6381 -2.938 -2.970 -3.236 + 24TIP3 H2 6382 -2.821 -2.885 -3.271 + 25TIP3 OH2 6383 -2.808 -4.110 -3.066 + 25TIP3 H1 6384 -2.888 -4.077 -3.110 + 25TIP3 H2 6385 -2.742 -4.097 -3.136 + 26TIP3 OH2 6386 -3.497 4.382 -3.359 + 26TIP3 H1 6387 -3.500 4.286 -3.355 + 26TIP3 H2 6388 -3.587 4.411 -3.334 + 27TIP3 OH2 6389 -3.010 -2.683 -3.610 + 27TIP3 H1 6390 -3.068 -2.749 -3.642 + 27TIP3 H2 6391 -2.942 -2.674 -3.682 + 28TIP3 OH2 6392 -2.838 -3.072 -3.688 + 28TIP3 H1 6393 -2.922 -3.051 -3.699 + 28TIP3 H2 6394 -2.835 -3.152 -3.647 + 29TIP3 OH2 6395 -2.722 -3.105 -2.871 + 29TIP3 H1 6396 -2.732 -3.169 -2.943 + 29TIP3 H2 6397 -2.710 -3.021 -2.921 + 30TIP3 OH2 6398 -3.292 -3.418 -3.906 + 30TIP3 H1 6399 -3.359 -3.356 -3.941 + 30TIP3 H2 6400 -3.219 -3.409 -3.969 + 31TIP3 OH2 6401 -3.275 -3.594 -4.204 + 31TIP3 H1 6402 -3.207 -3.562 -4.143 + 31TIP3 H2 6403 -3.221 -3.655 -4.259 + 32TIP3 OH2 6404 -2.546 -3.488 -3.077 + 32TIP3 H1 6405 -2.618 -3.423 -3.068 + 32TIP3 H2 6406 -2.498 -3.454 -3.155 + 33TIP3 OH2 6407 -2.955 -3.462 -3.797 + 33TIP3 H1 6408 -3.019 -3.431 -3.730 + 33TIP3 H2 6409 -2.883 -3.497 -3.741 + 34TIP3 OH2 6410 -2.961 -3.562 -2.911 + 34TIP3 H1 6411 -2.954 -3.482 -2.856 + 34TIP3 H2 6412 -3.024 -3.530 -2.977 + 35TIP3 OH2 6413 -3.780 -3.335 -3.618 + 35TIP3 H1 6414 -3.815 -3.380 -3.697 + 35TIP3 H2 6415 -3.718 -3.402 -3.583 + 36TIP3 OH2 6416 -3.644 -2.997 -3.345 + 36TIP3 H1 6417 -3.658 -3.042 -3.428 + 36TIP3 H2 6418 -3.566 -3.045 -3.308 + 37TIP3 OH2 6419 -3.728 -3.453 -3.269 + 37TIP3 H1 6420 -3.668 -3.453 -3.346 + 37TIP3 H2 6421 -3.686 -3.389 -3.208 + 38TIP3 OH2 6422 -3.129 -2.922 -3.197 + 38TIP3 H1 6423 -3.123 -2.847 -3.134 + 38TIP3 H2 6424 -3.152 -3.001 -3.151 + 39TIP3 OH2 6425 -3.642 -3.025 -2.784 + 39TIP3 H1 6426 -3.693 -2.958 -2.734 + 39TIP3 H2 6427 -3.707 -3.050 -2.853 + 40TIP3 OH2 6428 -3.040 -3.466 -4.062 + 40TIP3 H1 6429 -2.998 -3.453 -3.974 + 40TIP3 H2 6430 -2.972 -3.425 -4.120 + 41TIP3 OH2 6431 -3.956 -3.390 -2.868 + 41TIP3 H1 6432 -3.947 -3.329 -2.792 + 41TIP3 H2 6433 -4.053 -3.393 -2.878 + 42TIP3 OH2 6434 -3.290 -2.776 -3.693 + 42TIP3 H1 6435 -3.285 -2.806 -3.602 + 42TIP3 H2 6436 -3.377 -2.734 -3.699 + 43TIP3 OH2 6437 -3.835 -2.810 -2.700 + 43TIP3 H1 6438 -3.844 -2.804 -2.797 + 43TIP3 H2 6439 -3.927 -2.826 -2.671 + 44TIP3 OH2 6440 -2.717 -4.336 -4.128 + 44TIP3 H1 6441 -2.763 -4.332 -4.043 + 44TIP3 H2 6442 -2.651 -4.266 -4.114 + 45TIP3 OH2 6443 -3.893 -3.464 -3.866 + 45TIP3 H1 6444 -3.919 -3.387 -3.919 + 45TIP3 H2 6445 -3.963 -3.527 -3.887 + 46TIP3 OH2 6446 -2.534 -2.901 -4.310 + 46TIP3 H1 6447 -2.508 -2.811 -4.287 + 46TIP3 H2 6448 -2.489 -2.953 -4.241 + 47TIP3 OH2 6449 -4.266 -3.181 -3.010 + 47TIP3 H1 6450 -4.288 -3.214 -3.099 + 47TIP3 H2 6451 -4.307 -3.249 -2.954 + 48TIP3 OH2 6452 -4.281 -2.902 -3.313 + 48TIP3 H1 6453 -4.196 -2.942 -3.293 + 48TIP3 H2 6454 -4.301 -2.852 -3.233 + 49TIP3 OH2 6455 -2.443 -2.842 -2.720 + 49TIP3 H1 6456 -2.454 -2.938 -2.737 + 49TIP3 H2 6457 -2.533 -2.818 -2.691 + 50TIP3 OH2 6458 -3.378 -2.919 -2.841 + 50TIP3 H1 6459 -3.369 -2.837 -2.786 + 50TIP3 H2 6460 -3.468 -2.949 -2.816 + 51TIP3 OH2 6461 -3.973 -2.628 -3.679 + 51TIP3 H1 6462 -3.954 -2.667 -3.591 + 51TIP3 H2 6463 -4.053 -2.678 -3.702 + 52TIP3 OH2 6464 -2.963 -2.857 -3.893 + 52TIP3 H1 6465 -2.950 -2.933 -3.951 + 52TIP3 H2 6466 -2.890 -2.871 -3.832 + 53TIP3 OH2 6467 -3.216 -2.477 -3.767 + 53TIP3 H1 6468 -3.255 -2.547 -3.812 + 53TIP3 H2 6469 -3.127 -2.517 -3.743 + 54TIP3 OH2 6470 -2.763 -3.709 -2.680 + 54TIP3 H1 6471 -2.814 -3.669 -2.752 + 54TIP3 H2 6472 -2.756 -3.801 -2.709 + 55TIP3 OH2 6473 -4.070 -3.041 -2.864 + 55TIP3 H1 6474 -4.042 -3.097 -2.789 + 55TIP3 H2 6475 -4.147 -3.091 -2.902 + 56TIP3 OH2 6476 -3.752 -4.222 -3.273 + 56TIP3 H1 6477 -3.838 -4.230 -3.317 + 56TIP3 H2 6478 -3.764 -4.135 -3.230 + 57TIP3 OH2 6479 -3.291 -4.261 -2.917 + 57TIP3 H1 6480 -3.270 -4.310 -2.836 + 57TIP3 H2 6481 -3.386 -4.278 -2.925 + 58TIP3 OH2 6482 -2.995 -3.863 -2.876 + 58TIP3 H1 6483 -3.051 -3.875 -2.797 + 58TIP3 H2 6484 -2.999 -3.767 -2.892 + 59TIP3 OH2 6485 -2.829 -3.383 -4.248 + 59TIP3 H1 6486 -2.846 -3.411 -4.338 + 59TIP3 H2 6487 -2.779 -3.301 -4.262 + 60TIP3 OH2 6488 -3.329 -3.997 -4.213 + 60TIP3 H1 6489 -3.384 -3.996 -4.133 + 60TIP3 H2 6490 -3.378 -4.062 -4.266 + 61TIP3 OH2 6491 -3.762 -3.715 -3.148 + 61TIP3 H1 6492 -3.820 -3.703 -3.072 + 61TIP3 H2 6493 -3.755 -3.624 -3.184 + 62TIP3 OH2 6494 -3.769 -3.709 -3.659 + 62TIP3 H1 6495 -3.865 -3.716 -3.677 + 62TIP3 H2 6496 -3.733 -3.727 -3.748 + 63TIP3 OH2 6497 -3.207 -3.657 -3.787 + 63TIP3 H1 6498 -3.245 -3.573 -3.819 + 63TIP3 H2 6499 -3.135 -3.670 -3.850 + 64TIP3 OH2 6500 -3.287 -3.632 -2.650 + 64TIP3 H1 6501 -3.338 -3.706 -2.611 + 64TIP3 H2 6502 -3.200 -3.642 -2.606 + 65TIP3 OH2 6503 -3.120 -3.712 -3.505 + 65TIP3 H1 6504 -3.149 -3.655 -3.579 + 65TIP3 H2 6505 -3.100 -3.793 -3.555 + 66TIP3 OH2 6506 -4.026 -3.697 -2.965 + 66TIP3 H1 6507 -3.995 -3.662 -2.881 + 66TIP3 H2 6508 -4.052 -3.788 -2.941 + 67TIP3 OH2 6509 -3.653 -3.961 -4.315 + 67TIP3 H1 6510 -3.685 -3.987 -4.227 + 67TIP3 H2 6511 -3.727 -3.908 -4.348 + 68TIP3 OH2 6512 -4.321 -3.942 -3.601 + 68TIP3 H1 6513 -4.303 -3.970 -3.510 + 68TIP3 H2 6514 -4.287 -4.015 -3.653 + 69TIP3 OH2 6515 -4.206 -3.894 -4.021 + 69TIP3 H1 6516 -4.147 -3.868 -4.093 + 69TIP3 H2 6517 -4.289 -3.851 -4.045 + 70TIP3 OH2 6518 -3.215 -3.544 -3.060 + 70TIP3 H1 6519 -3.168 -3.616 -3.109 + 70TIP3 H2 6520 -3.243 -3.589 -2.980 + 71TIP3 OH2 6521 -3.490 -3.941 -3.560 + 71TIP3 H1 6522 -3.583 -3.961 -3.539 + 71TIP3 H2 6523 -3.445 -3.973 -3.480 + 72TIP3 OH2 6524 -4.040 -3.822 -3.695 + 72TIP3 H1 6525 -4.115 -3.808 -3.755 + 72TIP3 H2 6526 -4.003 -3.906 -3.730 + 73TIP3 OH2 6527 -3.674 -3.786 -3.921 + 73TIP3 H1 6528 -3.577 -3.784 -3.917 + 73TIP3 H2 6529 -3.695 -3.727 -3.996 + 74TIP3 OH2 6530 -3.056 -4.032 -3.256 + 74TIP3 H1 6531 -3.119 -4.035 -3.181 + 74TIP3 H2 6532 -3.114 -4.063 -3.327 + 75TIP3 OH2 6533 -3.814 -3.672 -4.160 + 75TIP3 H1 6534 -3.875 -3.722 -4.216 + 75TIP3 H2 6535 -3.738 -3.657 -4.219 + 76TIP3 OH2 6536 -2.751 -2.457 -2.590 + 76TIP3 H1 6537 -2.725 -2.411 -2.672 + 76TIP3 H2 6538 -2.685 -2.424 -2.528 + 77TIP3 OH2 6539 -3.953 -3.197 -2.647 + 77TIP3 H1 6540 -3.890 -3.192 -2.572 + 77TIP3 H2 6541 -4.037 -3.184 -2.598 + 78TIP3 OH2 6542 -3.388 -3.693 -3.375 + 78TIP3 H1 6543 -3.317 -3.738 -3.422 + 78TIP3 H2 6544 -3.405 -3.756 -3.301 + 79TIP3 OH2 6545 -3.877 -4.060 -3.754 + 79TIP3 H1 6546 -3.921 -4.146 -3.742 + 79TIP3 H2 6547 -3.791 -4.085 -3.790 + 80TIP3 OH2 6548 -3.493 -3.849 -3.149 + 80TIP3 H1 6549 -3.568 -3.788 -3.149 + 80TIP3 H2 6550 -3.442 -3.823 -3.069 + 81TIP3 OH2 6551 -3.477 -3.208 -3.961 + 81TIP3 H1 6552 -3.553 -3.260 -3.994 + 81TIP3 H2 6553 -3.495 -3.205 -3.864 + 82TIP3 OH2 6554 -2.754 -3.294 -3.087 + 82TIP3 H1 6555 -2.706 -3.239 -3.152 + 82TIP3 H2 6556 -2.841 -3.305 -3.130 + 83TIP3 OH2 6557 -3.061 -3.931 -4.189 + 83TIP3 H1 6558 -3.159 -3.936 -4.186 + 83TIP3 H2 6559 -3.039 -3.859 -4.127 + 84TIP3 OH2 6560 -3.316 -3.210 -2.829 + 84TIP3 H1 6561 -3.341 -3.240 -2.741 + 84TIP3 H2 6562 -3.344 -3.116 -2.828 + 85TIP3 OH2 6563 -3.000 -3.750 -3.990 + 85TIP3 H1 6564 -2.915 -3.765 -3.943 + 85TIP3 H2 6565 -2.986 -3.662 -4.028 + 86TIP3 OH2 6566 -3.978 -3.280 -3.391 + 86TIP3 H1 6567 -3.908 -3.286 -3.459 + 86TIP3 H2 6568 -3.962 -3.360 -3.338 + 87TIP3 OH2 6569 -3.234 -3.072 -4.064 + 87TIP3 H1 6570 -3.266 -2.987 -4.030 + 87TIP3 H2 6571 -3.309 -3.130 -4.041 + 88TIP3 OH2 6572 -4.239 -3.426 -2.823 + 88TIP3 H1 6573 -4.231 -3.492 -2.752 + 88TIP3 H2 6574 -4.286 -3.476 -2.893 + 89TIP3 OH2 6575 -3.541 -3.494 -2.653 + 89TIP3 H1 6576 -3.574 -3.518 -2.741 + 89TIP3 H2 6577 -3.447 -3.520 -2.661 + 90TIP3 OH2 6578 -3.088 -2.950 -2.881 + 90TIP3 H1 6579 -3.185 -2.940 -2.886 + 90TIP3 H2 6580 -3.070 -2.924 -2.790 + 91TIP3 OH2 6581 -2.530 -3.736 -4.001 + 91TIP3 H1 6582 -2.594 -3.756 -4.071 + 91TIP3 H2 6583 -2.518 -3.641 -4.018 + 92TIP3 OH2 6584 -2.489 -3.141 -2.724 + 92TIP3 H1 6585 -2.583 -3.118 -2.743 + 92TIP3 H2 6586 -2.457 -3.158 -2.814 + 93TIP3 OH2 6587 -2.725 -2.870 -4.054 + 93TIP3 H1 6588 -2.810 -2.845 -4.091 + 93TIP3 H2 6589 -2.663 -2.813 -4.100 + 94TIP3 OH2 6590 -2.993 -3.359 -3.249 + 94TIP3 H1 6591 -3.086 -3.372 -3.275 + 94TIP3 H2 6592 -2.950 -3.432 -3.299 + 95TIP3 OH2 6593 -3.726 -2.942 -3.663 + 95TIP3 H1 6594 -3.688 -2.854 -3.656 + 95TIP3 H2 6595 -3.821 -2.922 -3.672 + 96TIP3 OH2 6596 -4.149 -3.463 -4.168 + 96TIP3 H1 6597 -4.078 -3.400 -4.143 + 96TIP3 H2 6598 -4.222 -3.401 -4.183 + 97TIP3 OH2 6599 -3.544 -3.170 -3.690 + 97TIP3 H1 6600 -3.581 -3.082 -3.676 + 97TIP3 H2 6601 -3.613 -3.226 -3.648 + 98TIP3 OH2 6602 -3.528 -2.754 -3.056 + 98TIP3 H1 6603 -3.480 -2.673 -3.078 + 98TIP3 H2 6604 -3.466 -2.798 -2.995 + 99TIP3 OH2 6605 -3.671 -2.617 -3.737 + 99TIP3 H1 6606 -3.765 -2.636 -3.724 + 99TIP3 H2 6607 -3.652 -2.562 -3.660 + 100TIP3 OH2 6608 -3.187 -3.174 -3.099 + 100TIP3 H1 6609 -3.213 -3.200 -3.009 + 100TIP3 H2 6610 -3.112 -3.233 -3.116 + 101TIP3 OH2 6611 -3.007 -3.064 -4.235 + 101TIP3 H1 6612 -2.998 -3.160 -4.247 + 101TIP3 H2 6613 -3.055 -3.060 -4.151 + 102TIP3 OH2 6614 -2.892 -2.715 -2.858 + 102TIP3 H1 6615 -2.967 -2.761 -2.901 + 102TIP3 H2 6616 -2.882 -2.636 -2.914 + 103TIP3 OH2 6617 -2.485 -2.602 -4.152 + 103TIP3 H1 6618 -2.410 -2.539 -4.148 + 103TIP3 H2 6619 -2.561 -2.540 -4.140 + 104TIP3 OH2 6620 -4.106 -3.957 -2.889 + 104TIP3 H1 6621 -4.196 -3.924 -2.906 + 104TIP3 H2 6622 -4.124 -4.045 -2.849 + 105TIP3 OH2 6623 -2.881 -3.184 -3.972 + 105TIP3 H1 6624 -2.887 -3.253 -3.905 + 105TIP3 H2 6625 -2.785 -3.166 -3.972 + 106TIP3 OH2 6626 -4.128 -2.800 -3.046 + 106TIP3 H1 6627 -4.108 -2.894 -3.033 + 106TIP3 H2 6628 -4.097 -2.764 -2.962 + 107TIP3 OH2 6629 -3.518 -2.935 -4.319 + 107TIP3 H1 6630 -3.479 -3.017 -4.354 + 107TIP3 H2 6631 -3.578 -2.971 -4.251 + 108TIP3 OH2 6632 -3.665 -2.984 -4.076 + 108TIP3 H1 6633 -3.616 -3.042 -4.015 + 108TIP3 H2 6634 -3.643 -2.895 -4.043 + 109TIP3 OH2 6635 -3.985 -3.247 -4.041 + 109TIP3 H1 6636 -4.058 -3.208 -3.988 + 109TIP3 H2 6637 -3.939 -3.166 -4.065 + 110TIP3 OH2 6638 -3.216 -4.007 -3.026 + 110TIP3 H1 6639 -3.152 -3.980 -2.959 + 110TIP3 H2 6640 -3.250 -4.092 -2.992 + 111TIP3 OH2 6641 -3.137 -4.049 -3.922 + 111TIP3 H1 6642 -3.118 -3.990 -3.995 + 111TIP3 H2 6643 -3.100 -4.001 -3.846 + 112TIP3 OH2 6644 -3.369 -2.821 -4.015 + 112TIP3 H1 6645 -3.455 -2.776 -4.010 + 112TIP3 H2 6646 -3.322 -2.768 -4.081 + 113TIP3 OH2 6647 -3.406 -3.851 -3.813 + 113TIP3 H1 6648 -3.330 -3.790 -3.801 + 113TIP3 H2 6649 -3.433 -3.867 -3.720 + 114TIP3 OH2 6650 -3.370 -3.762 -2.899 + 114TIP3 H1 6651 -3.361 -3.710 -2.817 + 114TIP3 H2 6652 -3.312 -3.837 -2.883 + 115TIP3 OH2 6653 -3.328 -4.171 -3.714 + 115TIP3 H1 6654 -3.361 -4.097 -3.661 + 115TIP3 H2 6655 -3.274 -4.126 -3.782 + 116TIP3 OH2 6656 -3.638 -2.705 -4.020 + 116TIP3 H1 6657 -3.653 -2.623 -4.069 + 116TIP3 H2 6658 -3.667 -2.680 -3.930 + 117TIP3 OH2 6659 -3.775 -4.044 -4.072 + 117TIP3 H1 6660 -3.777 -3.965 -4.015 + 117TIP3 H2 6661 -3.690 -4.083 -4.043 + 118TIP3 OH2 6662 -2.732 -3.962 -2.818 + 118TIP3 H1 6663 -2.828 -3.953 -2.828 + 118TIP3 H2 6664 -2.710 -3.989 -2.908 + 119TIP3 OH2 6665 -2.890 -3.574 -3.409 + 119TIP3 H1 6666 -2.971 -3.620 -3.435 + 119TIP3 H2 6667 -2.840 -3.644 -3.362 + 120TIP3 OH2 6668 -3.931 -2.950 -4.155 + 120TIP3 H1 6669 -3.845 -2.934 -4.113 + 120TIP3 H2 6670 -3.903 -3.000 -4.234 + 121TIP3 OH2 6671 -4.098 -3.730 -4.268 + 121TIP3 H1 6672 -4.103 -3.640 -4.229 + 121TIP3 H2 6673 -4.191 -3.750 -4.288 + 122TIP3 OH2 6674 -2.791 -2.682 -3.269 + 122TIP3 H1 6675 -2.798 -2.601 -3.322 + 122TIP3 H2 6676 -2.698 -2.679 -3.242 + 123TIP3 OH2 6677 -4.080 -4.236 -3.352 + 123TIP3 H1 6678 -4.062 -4.250 -3.447 + 123TIP3 H2 6679 -4.098 -4.326 -3.324 + 124TIP3 OH2 6680 -4.133 -2.875 -3.744 + 124TIP3 H1 6681 -4.227 -2.850 -3.736 + 124TIP3 H2 6682 -4.109 -2.841 -3.831 + 125TIP3 OH2 6683 -4.214 -2.605 -2.623 + 125TIP3 H1 6684 -4.151 -2.604 -2.549 + 125TIP3 H2 6685 -4.216 -2.701 -2.638 + 126TIP3 OH2 6686 -3.728 -2.692 -2.451 + 126TIP3 H1 6687 -3.658 -2.755 -2.429 + 126TIP3 H2 6688 -3.750 -2.719 -2.541 + 127TIP3 OH2 6689 -3.307 -2.754 -4.318 + 127TIP3 H1 6690 -3.388 -2.809 -4.322 + 127TIP3 H2 6691 -3.242 -2.820 -4.348 + 128TIP3 OH2 6692 -3.080 -2.864 -2.592 + 128TIP3 H1 6693 -3.117 -2.946 -2.554 + 128TIP3 H2 6694 -3.010 -2.842 -2.527 + 129TIP3 OH2 6695 -2.791 -2.246 3.901 + 129TIP3 H1 6696 -2.858 -2.280 3.961 + 129TIP3 H2 6697 -2.712 -2.250 3.957 + 130TIP3 OH2 6698 -4.200 -3.201 -2.560 + 130TIP3 H1 6699 -4.190 -3.288 -2.601 + 130TIP3 H2 6700 -4.286 -3.172 -2.593 + 131TIP3 OH2 6701 -3.772 -3.177 -4.311 + 131TIP3 H1 6702 -3.763 -3.245 -4.243 + 131TIP3 H2 6703 -3.702 -3.200 -4.373 + 132TIP3 OH2 6704 -3.540 -3.216 -2.582 + 132TIP3 H1 6705 -3.569 -3.183 -2.669 + 132TIP3 H2 6706 -3.531 -3.312 -2.597 + 133TIP3 OH2 6707 -3.259 -3.076 -4.351 + 133TIP3 H1 6708 -3.229 -3.058 -4.260 + 133TIP3 H2 6709 -3.192 -3.140 -4.380 + 134TIP3 OH2 6710 -3.002 -3.254 -2.845 + 134TIP3 H1 6711 -2.923 -3.201 -2.863 + 134TIP3 H2 6712 -3.070 -3.185 -2.845 + 135TIP3 OH2 6713 -4.135 -3.533 -2.583 + 135TIP3 H1 6714 -4.053 -3.584 -2.597 + 135TIP3 H2 6715 -4.121 -3.498 -2.494 + 136TIP3 OH2 6716 -3.674 -3.383 -4.090 + 136TIP3 H1 6717 -3.735 -3.429 -4.030 + 136TIP3 H2 6718 -3.639 -3.457 -4.143 + 137TIP3 OH2 6719 -3.751 -3.609 -2.857 + 137TIP3 H1 6720 -3.804 -3.529 -2.838 + 137TIP3 H2 6721 -3.684 -3.573 -2.917 + 138TIP3 OH2 6722 -3.554 -3.572 -4.277 + 138TIP3 H1 6723 -3.547 -3.601 -4.369 + 138TIP3 H2 6724 -3.459 -3.576 -4.251 + 139TIP3 OH2 6725 -3.220 -3.338 -2.502 + 139TIP3 H1 6726 -3.129 -3.355 -2.530 + 139TIP3 H2 6727 -3.243 -3.421 -2.458 + 140TIP3 OH2 6728 -3.694 -3.881 -2.745 + 140TIP3 H1 6729 -3.682 -3.944 -2.818 + 140TIP3 H2 6730 -3.711 -3.799 -2.793 + 141TIP3 OH2 6731 -3.651 -4.038 -3.003 + 141TIP3 H1 6732 -3.599 -3.982 -3.064 + 141TIP3 H2 6733 -3.743 -4.026 -3.036 + 142TIP3 OH2 6734 -3.503 -3.489 -2.957 + 142TIP3 H1 6735 -3.418 -3.497 -3.003 + 142TIP3 H2 6736 -3.532 -3.400 -2.987 + 143TIP3 OH2 6737 -3.045 -3.694 -2.480 + 143TIP3 H1 6738 -3.024 -3.786 -2.462 + 143TIP3 H2 6739 -2.957 -3.654 -2.482 + 144TIP3 OH2 6740 -2.947 -3.415 -2.631 + 144TIP3 H1 6741 -2.981 -3.353 -2.698 + 144TIP3 H2 6742 -2.857 -3.430 -2.666 + 145TIP3 OH2 6743 -3.882 -3.691 -2.566 + 145TIP3 H1 6744 -3.928 -3.777 -2.565 + 145TIP3 H2 6745 -3.797 -3.715 -2.607 + 146TIP3 OH2 6746 -3.605 -4.277 -2.879 + 146TIP3 H1 6747 -3.592 -4.187 -2.915 + 146TIP3 H2 6748 -3.697 -4.291 -2.906 + 147TIP3 OH2 6749 -3.457 -3.844 -2.586 + 147TIP3 H1 6750 -3.487 -3.871 -2.497 + 147TIP3 H2 6751 -3.538 -3.864 -2.636 + 148TIP3 OH2 6752 -3.198 -3.945 -2.687 + 148TIP3 H1 6753 -3.286 -3.931 -2.649 + 148TIP3 H2 6754 -3.160 -4.010 -2.625 + 149TIP3 OH2 6755 -3.029 -4.136 -2.520 + 149TIP3 H1 6756 -3.038 -4.224 -2.480 + 149TIP3 H2 6757 -3.039 -4.077 -2.443 + 150TIP3 OH2 6758 -4.004 -3.951 -2.577 + 150TIP3 H1 6759 -4.023 -4.018 -2.645 + 150TIP3 H2 6760 -4.039 -3.993 -2.497 + 151TIP3 OH2 6761 -3.495 -4.147 -2.474 + 151TIP3 H1 6762 -3.517 -4.229 -2.522 + 151TIP3 H2 6763 -3.580 -4.100 -2.471 + 152TIP3 OH2 6764 -3.572 -2.404 -4.156 + 152TIP3 H1 6765 -3.493 -2.456 -4.176 + 152TIP3 H2 6766 -3.615 -2.392 -4.242 + 153TIP3 OH2 6767 -4.189 -3.010 -4.239 + 153TIP3 H1 6768 -4.105 -2.996 -4.191 + 153TIP3 H2 6769 -4.177 -3.099 -4.275 + 154TIP3 OH2 6770 -4.271 -2.690 -3.524 + 154TIP3 H1 6771 -4.276 -2.780 -3.486 + 154TIP3 H2 6772 -4.244 -2.640 -3.445 + 155TIP3 OH2 6773 -2.516 -2.567 -3.219 + 155TIP3 H1 6774 -2.499 -2.575 -3.124 + 155TIP3 H2 6775 -2.428 -2.544 -3.252 + 156TIP3 OH2 6776 -2.526 -2.628 -2.933 + 156TIP3 H1 6777 -2.578 -2.704 -2.966 + 156TIP3 H2 6778 -2.471 -2.673 -2.867 + 157TIP3 OH2 6779 -2.726 -3.085 -2.503 + 157TIP3 H1 6780 -2.814 -3.077 -2.462 + 157TIP3 H2 6781 -2.681 -3.005 -2.472 + 158TIP3 OH2 6782 -2.578 -3.217 -3.939 + 158TIP3 H1 6783 -2.495 -3.169 -3.922 + 158TIP3 H2 6784 -2.586 -3.268 -3.856 + 159TIP3 OH2 6785 -2.543 -3.399 -3.728 + 159TIP3 H1 6786 -2.606 -3.459 -3.684 + 159TIP3 H2 6787 -2.471 -3.388 -3.662 + 160TIP3 OH2 6788 -2.571 -3.150 -3.239 + 160TIP3 H1 6789 -2.503 -3.197 -3.289 + 160TIP3 H2 6790 -2.553 -3.057 -3.263 + 161TIP3 OH2 6791 -2.693 -2.853 -3.008 + 161TIP3 H1 6792 -2.767 -2.816 -2.956 + 161TIP3 H2 6793 -2.741 -2.892 -3.084 + 162TIP3 OH2 6794 -2.516 -3.435 -4.107 + 162TIP3 H1 6795 -2.569 -3.397 -4.178 + 162TIP3 H2 6796 -2.530 -3.366 -4.039 + 163TIP3 OH2 6797 -2.695 -3.696 -4.221 + 163TIP3 H1 6798 -2.656 -3.621 -4.270 + 163TIP3 H2 6799 -2.647 -3.770 -4.259 + 164TIP3 OH2 6800 -2.746 -3.585 -3.648 + 164TIP3 H1 6801 -2.754 -3.679 -3.668 + 164TIP3 H2 6802 -2.783 -3.579 -3.558 + 165TIP3 OH2 6803 -4.257 -3.336 -3.254 + 165TIP3 H1 6804 -4.222 -3.313 -3.341 + 165TIP3 H2 6805 -4.177 -3.377 -3.213 + 166TIP3 OH2 6806 -2.686 -3.393 -2.736 + 166TIP3 H1 6807 -2.613 -3.455 -2.718 + 166TIP3 H2 6808 -2.640 -3.310 -2.754 + 167TIP3 OH2 6809 -2.531 -3.583 -2.615 + 167TIP3 H1 6810 -2.610 -3.637 -2.637 + 167TIP3 H2 6811 -2.461 -3.651 -2.616 + 168TIP3 OH2 6812 -2.767 -4.028 -4.341 + 168TIP3 H1 6813 -2.708 -4.042 -4.266 + 168TIP3 H2 6814 -2.855 -4.045 -4.306 + 169TIP3 OH2 6815 -2.769 -3.826 -3.835 + 169TIP3 H1 6816 -2.749 -3.922 -3.827 + 169TIP3 H2 6817 -2.685 -3.793 -3.872 + 170TIP3 OH2 6818 -2.737 -3.772 -3.292 + 170TIP3 H1 6819 -2.640 -3.767 -3.293 + 170TIP3 H2 6820 -2.752 -3.776 -3.196 + 171TIP3 OH2 6821 -2.723 -3.706 -3.007 + 171TIP3 H1 6822 -2.807 -3.664 -2.980 + 171TIP3 H2 6823 -2.668 -3.629 -3.028 + 172TIP3 OH2 6824 -4.282 -3.838 -2.627 + 172TIP3 H1 6825 -4.199 -3.880 -2.654 + 172TIP3 H2 6826 -4.346 -3.911 -2.626 + 173TIP3 OH2 6827 -2.508 -4.278 -2.429 + 173TIP3 H1 6828 -2.453 -4.354 -2.450 + 173TIP3 H2 6829 -2.503 -4.218 -2.507 + 174TIP3 OH2 6830 -2.734 -4.097 -3.822 + 174TIP3 H1 6831 -2.707 -4.147 -3.744 + 174TIP3 H2 6832 -2.795 -4.160 -3.865 + 175TIP3 OH2 6833 -4.194 -3.988 -3.337 + 175TIP3 H1 6834 -4.162 -4.080 -3.330 + 175TIP3 H2 6835 -4.114 -3.937 -3.314 + 176TIP3 OH2 6836 -4.334 -3.727 -3.245 + 176TIP3 H1 6837 -4.294 -3.777 -3.318 + 176TIP3 H2 6838 -4.316 -3.636 -3.272 + 177TIP3 OH2 6839 -2.527 -4.111 -2.645 + 177TIP3 H1 6840 -2.612 -4.065 -2.636 + 177TIP3 H2 6841 -2.537 -4.147 -2.735 + 178TIP3 OH2 6842 -2.515 -4.072 -4.175 + 178TIP3 H1 6843 -2.488 -4.146 -4.231 + 178TIP3 H2 6844 -2.434 -4.019 -4.171 + 179TIP3 OH2 6845 -4.315 -4.105 -3.887 + 179TIP3 H1 6846 -4.398 -4.074 -3.926 + 179TIP3 H2 6847 -4.253 -4.038 -3.924 + 180TIP3 OH2 6848 -2.772 -2.560 -3.678 + 180TIP3 H1 6849 -2.696 -2.565 -3.612 + 180TIP3 H2 6850 -2.843 -2.523 -3.618 + 181TIP3 OH2 6851 -4.292 -4.164 -3.053 + 181TIP3 H1 6852 -4.351 -4.224 -3.002 + 181TIP3 H2 6853 -4.329 -4.166 -3.142 + 182TIP3 OH2 6854 -4.117 -2.863 -2.589 + 182TIP3 H1 6855 -4.171 -2.924 -2.640 + 182TIP3 H2 6856 -4.132 -2.896 -2.498 + 183TIP3 OH2 6857 -3.803 -2.798 -2.998 + 183TIP3 H1 6858 -3.834 -2.714 -3.035 + 183TIP3 H2 6859 -3.707 -2.789 -3.016 + 184TIP3 OH2 6860 -3.350 -2.670 -2.700 + 184TIP3 H1 6861 -3.339 -2.685 -2.604 + 184TIP3 H2 6862 -3.269 -2.621 -2.723 + 185TIP3 OH2 6863 -3.118 -2.523 -2.776 + 185TIP3 H1 6864 -3.050 -2.593 -2.788 + 185TIP3 H2 6865 -3.091 -2.486 -2.690 + 186TIP3 OH2 6866 -2.665 -4.275 -2.854 + 186TIP3 H1 6867 -2.716 -4.215 -2.911 + 186TIP3 H2 6868 -2.641 -4.343 -2.919 + 187TIP3 OH2 6869 -4.070 -2.492 -2.975 + 187TIP3 H1 6870 -4.139 -2.442 -3.022 + 187TIP3 H2 6871 -4.100 -2.483 -2.884 + 188TIP3 OH2 6872 -3.820 -2.526 -3.111 + 188TIP3 H1 6873 -3.905 -2.506 -3.068 + 188TIP3 H2 6874 -3.816 -2.459 -3.181 + 189TIP3 OH2 6875 -3.353 -2.400 -3.183 + 189TIP3 H1 6876 -3.395 -2.350 -3.166 + 189TIP3 H2 6877 -3.303 -2.439 -3.109 + 190TIP3 OH2 6878 -3.109 -2.650 -3.052 + 190TIP3 H1 6879 -3.181 -2.629 -3.114 + 190TIP3 H2 6880 -3.047 -2.578 -3.066 + 191TIP3 OH2 6881 -2.859 -2.480 -3.046 + 191TIP3 H1 6882 -2.858 -2.385 -3.068 + 191TIP3 H2 6883 -2.826 -2.519 -3.129 + 192TIP3 OH2 6884 -4.125 -2.616 -3.276 + 192TIP3 H1 6885 -4.135 -2.661 -3.190 + 192TIP3 H2 6886 -4.049 -2.664 -3.313 + 193TIP3 OH2 6887 -3.907 -2.746 -3.431 + 193TIP3 H1 6888 -3.926 -2.836 -3.398 + 193TIP3 H2 6889 -3.819 -2.728 -3.390 + 194TIP3 OH2 6890 -3.643 -2.718 -3.340 + 194TIP3 H1 6891 -3.616 -2.810 -3.352 + 194TIP3 H2 6892 -3.623 -2.702 -3.247 + 195TIP3 OH2 6893 -3.301 -4.112 -3.412 + 195TIP3 H1 6894 -3.362 -4.183 -3.383 + 195TIP3 H2 6895 -3.239 -4.162 -3.468 + 196TIP3 OH2 6896 -2.771 -4.329 -3.365 + 196TIP3 H1 6897 -2.712 -4.290 -3.430 + 196TIP3 H2 6898 -2.859 -4.305 -3.398 + 197TIP3 OH2 6899 -2.578 -4.223 -3.584 + 197TIP3 H1 6900 -2.522 -4.247 -3.658 + 197TIP3 H2 6901 -2.557 -4.129 -3.570 + 198TIP3 OH2 6902 -4.076 -4.279 -3.668 + 198TIP3 H1 6903 -4.158 -4.313 -3.705 + 198TIP3 H2 6904 -4.025 -4.359 -3.651 + 199TIP3 OH2 6905 -4.198 -4.290 -4.075 + 199TIP3 H1 6906 -4.164 -4.223 -4.138 + 199TIP3 H2 6907 -4.251 -4.234 -4.015 + 200TIP3 OH2 6908 -3.613 -4.222 -3.650 + 200TIP3 H1 6909 -3.520 -4.233 -3.671 + 200TIP3 H2 6910 -3.633 -4.296 -3.592 + 201TIP3 OH2 6911 -3.061 -4.264 -3.516 + 201TIP3 H1 6912 -3.026 -4.262 -3.606 + 201TIP3 H2 6913 -3.072 -4.359 -3.499 + 202TIP3 OH2 6914 -2.953 -4.271 -3.915 + 202TIP3 H1 6915 -3.027 -4.215 -3.944 + 202TIP3 H2 6916 -2.990 -4.360 -3.920 + 203TIP3 OH2 6917 -4.179 -2.688 -3.987 + 203TIP3 H1 6918 -4.260 -2.707 -4.034 + 203TIP3 H2 6919 -4.186 -2.593 -3.971 + 204TIP3 OH2 6920 -4.012 -4.111 -4.224 + 204TIP3 H1 6921 -3.957 -4.160 -4.287 + 204TIP3 H2 6922 -3.944 -4.063 -4.174 + 205TIP3 OH2 6923 -3.494 -4.057 -3.985 + 205TIP3 H1 6924 -3.482 -4.142 -3.938 + 205TIP3 H2 6925 -3.470 -3.991 -3.917 + 206TIP3 OH2 6926 -3.298 -2.530 -4.133 + 206TIP3 H1 6927 -3.205 -2.507 -4.147 + 206TIP3 H2 6928 -3.311 -2.596 -4.203 + 207TIP3 OH2 6929 -2.617 -2.611 -3.899 + 207TIP3 H1 6930 -2.654 -2.692 -3.937 + 207TIP3 H2 6931 -2.651 -2.541 -3.960 + 208TIP3 OH2 6932 -4.111 -4.176 -2.733 + 208TIP3 H1 6933 -4.159 -4.245 -2.683 + 208TIP3 H2 6934 -4.027 -4.224 -2.747 + 209TIP3 OH2 6935 -3.809 -4.278 -2.473 + 209TIP3 H1 6936 -3.722 -4.303 -2.512 + 209TIP3 H2 6937 -3.827 -4.355 -2.418 + 210TIP3 OH2 6938 -3.961 -2.583 -4.238 + 210TIP3 H1 6939 -4.021 -2.564 -4.165 + 210TIP3 H2 6940 -3.928 -2.671 -4.218 + 211TIP3 OH2 6941 -2.692 -2.734 -2.643 + 211TIP3 H1 6942 -2.768 -2.753 -2.701 + 211TIP3 H2 6943 -2.711 -2.641 -2.620 + 212TIP3 OH2 6944 -1.273 -3.367 -3.629 + 212TIP3 H1 6945 -1.276 -3.270 -3.616 + 212TIP3 H2 6946 -1.352 -3.381 -3.684 + 213TIP3 OH2 6947 -1.388 -3.423 -3.320 + 213TIP3 H1 6948 -1.391 -3.478 -3.241 + 213TIP3 H2 6949 -1.417 -3.485 -3.388 + 214TIP3 OH2 6950 -2.141 -3.464 -3.153 + 214TIP3 H1 6951 -2.144 -3.539 -3.091 + 214TIP3 H2 6952 -2.072 -3.410 -3.114 + 215TIP3 OH2 6953 -1.019 -3.150 -3.488 + 215TIP3 H1 6954 -1.059 -3.220 -3.435 + 215TIP3 H2 6955 -0.995 -3.086 -3.420 + 216TIP3 OH2 6956 -2.076 -2.999 -3.304 + 216TIP3 H1 6957 -2.100 -3.091 -3.329 + 216TIP3 H2 6958 -1.983 -3.012 -3.280 + 217TIP3 OH2 6959 -2.376 -3.662 -3.763 + 217TIP3 H1 6960 -2.414 -3.574 -3.752 + 217TIP3 H2 6961 -2.448 -3.709 -3.807 + 218TIP3 OH2 6962 -2.297 -3.415 -3.580 + 218TIP3 H1 6963 -2.281 -3.497 -3.530 + 218TIP3 H2 6964 -2.213 -3.403 -3.625 + 219TIP3 OH2 6965 -1.314 -2.612 -3.431 + 219TIP3 H1 6966 -1.257 -2.684 -3.463 + 219TIP3 H2 6967 -1.343 -2.645 -3.346 + 220TIP3 OH2 6968 -1.541 -3.171 -3.264 + 220TIP3 H1 6969 -1.508 -3.243 -3.321 + 220TIP3 H2 6970 -1.460 -3.156 -3.211 + 221TIP3 OH2 6971 -0.687 -4.013 -3.209 + 221TIP3 H1 6972 -0.651 -3.977 -3.126 + 221TIP3 H2 6973 -0.617 -3.988 -3.271 + 222TIP3 OH2 6974 -1.211 -3.740 -3.212 + 222TIP3 H1 6975 -1.193 -3.835 -3.210 + 222TIP3 H2 6976 -1.221 -3.725 -3.307 + 223TIP3 OH2 6977 -1.917 -3.941 -3.502 + 223TIP3 H1 6978 -1.899 -3.856 -3.548 + 223TIP3 H2 6979 -1.949 -3.995 -3.577 + 224TIP3 OH2 6980 -1.128 -3.922 -3.671 + 224TIP3 H1 6981 -1.068 -3.967 -3.607 + 224TIP3 H2 6982 -1.063 -3.878 -3.728 + 225TIP3 OH2 6983 -2.244 -3.662 -3.455 + 225TIP3 H1 6984 -2.184 -3.711 -3.396 + 225TIP3 H2 6985 -2.236 -3.713 -3.537 + 226TIP3 OH2 6986 -1.706 -3.525 -3.509 + 226TIP3 H1 6987 -1.636 -3.581 -3.469 + 226TIP3 H2 6988 -1.757 -3.592 -3.558 + 227TIP3 OH2 6989 -0.591 -3.845 -2.942 + 227TIP3 H1 6990 -0.670 -3.798 -2.974 + 227TIP3 H2 6991 -0.627 -3.892 -2.866 + 228TIP3 OH2 6992 -2.034 -4.056 -3.087 + 228TIP3 H1 6993 -2.069 -4.001 -3.159 + 228TIP3 H2 6994 -2.101 -4.037 -3.018 + 229TIP3 OH2 6995 -1.283 -3.081 -3.751 + 229TIP3 H1 6996 -1.314 -3.102 -3.840 + 229TIP3 H2 6997 -1.330 -2.998 -3.732 + 230TIP3 OH2 6998 -1.740 -3.269 -3.076 + 230TIP3 H1 6999 -1.814 -3.211 -3.050 + 230TIP3 H2 7000 -1.679 -3.207 -3.120 + 231TIP3 OH2 7001 -0.938 -4.012 -3.468 + 231TIP3 H1 7002 -0.985 -4.062 -3.400 + 231TIP3 H2 7003 -0.887 -3.950 -3.413 + 232TIP3 OH2 7004 -2.074 -3.855 -3.293 + 232TIP3 H1 7005 -2.010 -3.795 -3.249 + 232TIP3 H2 7006 -2.017 -3.890 -3.365 + 233TIP3 OH2 7007 -1.942 -3.083 -3.005 + 233TIP3 H1 7008 -1.945 -2.990 -3.034 + 233TIP3 H2 7009 -2.028 -3.089 -2.960 + 234TIP3 OH2 7010 -2.311 -3.113 -3.917 + 234TIP3 H1 7011 -2.327 -3.072 -4.004 + 234TIP3 H2 7012 -2.296 -3.036 -3.858 + 235TIP3 OH2 7013 -0.963 -2.968 -3.240 + 235TIP3 H1 7014 -1.060 -2.957 -3.235 + 235TIP3 H2 7015 -0.938 -2.881 -3.275 + 236TIP3 OH2 7016 -0.923 -4.108 -3.065 + 236TIP3 H1 7017 -1.004 -4.078 -3.109 + 236TIP3 H2 7018 -0.857 -4.097 -3.136 + 237TIP3 OH2 7019 -1.612 4.381 -3.363 + 237TIP3 H1 7020 -1.615 4.286 -3.353 + 237TIP3 H2 7021 -1.700 4.412 -3.332 + 238TIP3 OH2 7022 -1.135 -2.774 -3.581 + 238TIP3 H1 7023 -1.087 -2.852 -3.614 + 238TIP3 H2 7024 -1.068 -2.704 -3.593 + 239TIP3 OH2 7025 -0.988 -2.989 -3.721 + 239TIP3 H1 7026 -1.045 -3.031 -3.787 + 239TIP3 H2 7027 -0.995 -3.051 -3.646 + 240TIP3 OH2 7028 -0.833 -3.105 -2.871 + 240TIP3 H1 7029 -0.848 -3.170 -2.942 + 240TIP3 H2 7030 -0.826 -3.021 -2.920 + 241TIP3 OH2 7031 -1.407 -3.418 -3.906 + 241TIP3 H1 7032 -1.473 -3.354 -3.938 + 241TIP3 H2 7033 -1.335 -3.406 -3.970 + 242TIP3 OH2 7034 -1.388 -3.593 -4.208 + 242TIP3 H1 7035 -1.321 -3.563 -4.145 + 242TIP3 H2 7036 -1.334 -3.654 -4.263 + 243TIP3 OH2 7037 -0.651 -3.480 -3.087 + 243TIP3 H1 7038 -0.729 -3.422 -3.071 + 243TIP3 H2 7039 -0.621 -3.447 -3.173 + 244TIP3 OH2 7040 -1.058 -3.414 -3.794 + 244TIP3 H1 7041 -1.128 -3.392 -3.729 + 244TIP3 H2 7042 -1.001 -3.472 -3.741 + 245TIP3 OH2 7043 -1.073 -3.561 -2.910 + 245TIP3 H1 7044 -1.070 -3.480 -2.857 + 245TIP3 H2 7045 -1.140 -3.533 -2.976 + 246TIP3 OH2 7046 -1.899 -3.337 -3.615 + 246TIP3 H1 7047 -1.930 -3.380 -3.698 + 246TIP3 H2 7048 -1.834 -3.402 -3.582 + 247TIP3 OH2 7049 -1.762 -2.996 -3.342 + 247TIP3 H1 7050 -1.774 -3.036 -3.430 + 247TIP3 H2 7051 -1.683 -3.043 -3.309 + 248TIP3 OH2 7052 -1.839 -3.457 -3.267 + 248TIP3 H1 7053 -1.782 -3.453 -3.346 + 248TIP3 H2 7054 -1.801 -3.389 -3.208 + 249TIP3 OH2 7055 -1.242 -2.906 -3.209 + 249TIP3 H1 7056 -1.243 -2.838 -3.139 + 249TIP3 H2 7057 -1.269 -2.987 -3.162 + 250TIP3 OH2 7058 -1.756 -3.024 -2.784 + 250TIP3 H1 7059 -1.807 -2.958 -2.734 + 250TIP3 H2 7060 -1.821 -3.051 -2.852 + 251TIP3 OH2 7061 -1.149 -3.470 -4.056 + 251TIP3 H1 7062 -1.109 -3.443 -3.971 + 251TIP3 H2 7063 -1.092 -3.424 -4.120 + 252TIP3 OH2 7064 -2.063 -3.384 -2.872 + 252TIP3 H1 7065 -2.058 -3.327 -2.793 + 252TIP3 H2 7066 -2.159 -3.398 -2.879 + 253TIP3 OH2 7067 -1.418 -2.810 -3.693 + 253TIP3 H1 7068 -1.369 -2.780 -3.616 + 253TIP3 H2 7069 -1.465 -2.730 -3.721 + 254TIP3 OH2 7070 -1.946 -2.806 -2.701 + 254TIP3 H1 7071 -1.958 -2.803 -2.798 + 254TIP3 H2 7072 -2.034 -2.833 -2.668 + 255TIP3 OH2 7073 -0.827 -4.339 -4.124 + 255TIP3 H1 7074 -0.878 -4.330 -4.042 + 255TIP3 H2 7075 -0.766 -4.265 -4.115 + 256TIP3 OH2 7076 -2.006 -3.462 -3.863 + 256TIP3 H1 7077 -2.030 -3.386 -3.919 + 256TIP3 H2 7078 -2.073 -3.527 -3.888 + 257TIP3 OH2 7079 -0.708 -2.885 -4.244 + 257TIP3 H1 7080 -0.684 -2.795 -4.217 + 257TIP3 H2 7081 -0.622 -2.931 -4.241 + 258TIP3 OH2 7082 -2.401 -3.196 -2.990 + 258TIP3 H1 7083 -2.445 -3.199 -3.077 + 258TIP3 H2 7084 -2.387 -3.291 -2.972 + 259TIP3 OH2 7085 -2.395 -2.904 -3.296 + 259TIP3 H1 7086 -2.303 -2.932 -3.292 + 259TIP3 H2 7087 -2.399 -2.844 -3.220 + 260TIP3 OH2 7088 -0.557 -2.842 -2.719 + 260TIP3 H1 7089 -0.568 -2.937 -2.737 + 260TIP3 H2 7090 -0.648 -2.818 -2.691 + 261TIP3 OH2 7091 -1.492 -2.919 -2.840 + 261TIP3 H1 7092 -1.485 -2.837 -2.787 + 261TIP3 H2 7093 -1.582 -2.950 -2.817 + 262TIP3 OH2 7094 -1.459 -2.539 -3.845 + 262TIP3 H1 7095 -1.465 -2.531 -3.942 + 262TIP3 H2 7096 -1.456 -2.447 -3.815 + 263TIP3 OH2 7097 -2.085 -2.623 -3.679 + 263TIP3 H1 7098 -2.067 -2.669 -3.594 + 263TIP3 H2 7099 -2.167 -2.667 -3.705 + 264TIP3 OH2 7100 -1.138 -2.562 -4.108 + 264TIP3 H1 7101 -1.101 -2.622 -4.177 + 264TIP3 H2 7102 -1.147 -2.624 -4.033 + 265TIP3 OH2 7103 -1.192 -2.659 -3.857 + 265TIP3 H1 7104 -1.285 -2.638 -3.838 + 265TIP3 H2 7105 -1.173 -2.725 -3.788 + 266TIP3 OH2 7106 -0.876 -3.707 -2.681 + 266TIP3 H1 7107 -0.930 -3.670 -2.752 + 266TIP3 H2 7108 -0.870 -3.801 -2.708 + 267TIP3 OH2 7109 -2.181 -3.041 -2.866 + 267TIP3 H1 7110 -2.155 -3.087 -2.784 + 267TIP3 H2 7111 -2.255 -3.096 -2.898 + 268TIP3 OH2 7112 -1.860 -4.219 -3.274 + 268TIP3 H1 7113 -1.943 -4.243 -3.319 + 268TIP3 H2 7114 -1.887 -4.136 -3.231 + 269TIP3 OH2 7115 -1.406 -4.260 -2.915 + 269TIP3 H1 7116 -1.385 -4.311 -2.836 + 269TIP3 H2 7117 -1.500 -4.278 -2.926 + 270TIP3 OH2 7118 -1.107 -3.862 -2.873 + 270TIP3 H1 7119 -1.166 -3.875 -2.797 + 270TIP3 H2 7120 -1.115 -3.767 -2.891 + 271TIP3 OH2 7121 -0.917 -3.391 -4.256 + 271TIP3 H1 7122 -0.978 -3.405 -4.330 + 271TIP3 H2 7123 -0.901 -3.296 -4.267 + 272TIP3 OH2 7124 -1.441 -3.999 -4.217 + 272TIP3 H1 7125 -1.496 -3.994 -4.136 + 272TIP3 H2 7126 -1.492 -4.066 -4.265 + 273TIP3 OH2 7127 -1.877 -3.716 -3.148 + 273TIP3 H1 7128 -1.935 -3.703 -3.071 + 273TIP3 H2 7129 -1.869 -3.624 -3.183 + 274TIP3 OH2 7130 -1.882 -3.708 -3.659 + 274TIP3 H1 7131 -1.977 -3.719 -3.675 + 274TIP3 H2 7132 -1.847 -3.727 -3.749 + 275TIP3 OH2 7133 -1.313 -3.653 -3.786 + 275TIP3 H1 7134 -1.355 -3.571 -3.818 + 275TIP3 H2 7135 -1.251 -3.673 -3.857 + 276TIP3 OH2 7136 -1.401 -3.632 -2.649 + 276TIP3 H1 7137 -1.453 -3.706 -2.611 + 276TIP3 H2 7138 -1.315 -3.644 -2.605 + 277TIP3 OH2 7139 -1.234 -3.711 -3.505 + 277TIP3 H1 7140 -1.263 -3.654 -3.579 + 277TIP3 H2 7141 -1.214 -3.793 -3.555 + 278TIP3 OH2 7142 -2.140 -3.697 -2.966 + 278TIP3 H1 7143 -2.113 -3.669 -2.877 + 278TIP3 H2 7144 -2.179 -3.784 -2.946 + 279TIP3 OH2 7145 -1.769 -3.959 -4.317 + 279TIP3 H1 7146 -1.799 -3.987 -4.228 + 279TIP3 H2 7147 -1.845 -3.905 -4.346 + 280TIP3 OH2 7148 -2.460 -3.956 -3.602 + 280TIP3 H1 7149 -2.403 -3.956 -3.523 + 280TIP3 H2 7150 -2.404 -3.994 -3.670 + 281TIP3 OH2 7151 -2.303 -3.911 -4.038 + 281TIP3 H1 7152 -2.246 -3.862 -4.100 + 281TIP3 H2 7153 -2.369 -3.842 -4.016 + 282TIP3 OH2 7154 -1.324 -3.543 -3.057 + 282TIP3 H1 7155 -1.282 -3.617 -3.108 + 282TIP3 H2 7156 -1.360 -3.591 -2.981 + 283TIP3 OH2 7157 -1.605 -3.941 -3.560 + 283TIP3 H1 7158 -1.698 -3.959 -3.539 + 283TIP3 H2 7159 -1.561 -3.973 -3.479 + 284TIP3 OH2 7160 -2.147 -3.828 -3.690 + 284TIP3 H1 7161 -2.229 -3.800 -3.735 + 284TIP3 H2 7162 -2.120 -3.909 -3.737 + 285TIP3 OH2 7163 -1.788 -3.785 -3.921 + 285TIP3 H1 7164 -1.691 -3.783 -3.917 + 285TIP3 H2 7165 -1.811 -3.729 -3.997 + 286TIP3 OH2 7166 -1.171 -4.032 -3.256 + 286TIP3 H1 7167 -1.234 -4.035 -3.181 + 286TIP3 H2 7168 -1.228 -4.064 -3.327 + 287TIP3 OH2 7169 -1.926 -3.676 -4.157 + 287TIP3 H1 7170 -1.992 -3.721 -4.213 + 287TIP3 H2 7171 -1.856 -3.653 -4.220 + 288TIP3 OH2 7172 -0.864 -2.456 -2.587 + 288TIP3 H1 7173 -0.846 -2.411 -2.672 + 288TIP3 H2 7174 -0.790 -2.426 -2.533 + 289TIP3 OH2 7175 -2.074 -3.194 -2.647 + 289TIP3 H1 7176 -2.007 -3.186 -2.576 + 289TIP3 H2 7177 -2.155 -3.197 -2.591 + 290TIP3 OH2 7178 -1.502 -3.693 -3.373 + 290TIP3 H1 7179 -1.432 -3.739 -3.422 + 290TIP3 H2 7180 -1.521 -3.756 -3.301 + 291TIP3 OH2 7181 -1.988 -4.066 -3.757 + 291TIP3 H1 7182 -2.034 -4.151 -3.743 + 291TIP3 H2 7183 -1.901 -4.095 -3.788 + 292TIP3 OH2 7184 -1.606 -3.848 -3.150 + 292TIP3 H1 7185 -1.683 -3.788 -3.148 + 292TIP3 H2 7186 -1.557 -3.822 -3.069 + 293TIP3 OH2 7187 -1.591 -3.212 -3.960 + 293TIP3 H1 7188 -1.669 -3.260 -3.994 + 293TIP3 H2 7189 -1.611 -3.205 -3.864 + 294TIP3 OH2 7190 -0.868 -3.296 -3.088 + 294TIP3 H1 7191 -0.821 -3.240 -3.153 + 294TIP3 H2 7192 -0.955 -3.307 -3.131 + 295TIP3 OH2 7193 -1.171 -3.929 -4.187 + 295TIP3 H1 7194 -1.268 -3.937 -4.188 + 295TIP3 H2 7195 -1.153 -3.856 -4.126 + 296TIP3 OH2 7196 -1.426 -3.208 -2.829 + 296TIP3 H1 7197 -1.458 -3.241 -2.743 + 296TIP3 H2 7198 -1.459 -3.116 -2.828 + 297TIP3 OH2 7199 -1.115 -3.749 -3.988 + 297TIP3 H1 7200 -1.029 -3.765 -3.945 + 297TIP3 H2 7201 -1.102 -3.661 -4.029 + 298TIP3 OH2 7202 -2.078 -3.270 -3.378 + 298TIP3 H1 7203 -2.022 -3.282 -3.457 + 298TIP3 H2 7204 -2.068 -3.356 -3.334 + 299TIP3 OH2 7205 -1.343 -3.076 -4.064 + 299TIP3 H1 7206 -1.374 -2.987 -4.038 + 299TIP3 H2 7207 -1.423 -3.128 -4.047 + 300TIP3 OH2 7208 -2.353 -3.443 -2.852 + 300TIP3 H1 7209 -2.336 -3.487 -2.766 + 300TIP3 H2 7210 -2.412 -3.506 -2.897 + 301TIP3 OH2 7211 -1.655 -3.491 -2.654 + 301TIP3 H1 7212 -1.690 -3.518 -2.741 + 301TIP3 H2 7213 -1.562 -3.520 -2.662 + 302TIP3 OH2 7214 -1.201 -2.948 -2.881 + 302TIP3 H1 7215 -1.298 -2.941 -2.888 + 302TIP3 H2 7216 -1.186 -2.924 -2.788 + 303TIP3 OH2 7217 -0.640 -3.735 -3.998 + 303TIP3 H1 7218 -0.704 -3.760 -4.068 + 303TIP3 H2 7219 -0.635 -3.640 -4.018 + 304TIP3 OH2 7220 -0.603 -3.140 -2.723 + 304TIP3 H1 7221 -0.696 -3.119 -2.743 + 304TIP3 H2 7222 -0.568 -3.158 -2.812 + 305TIP3 OH2 7223 -0.817 -2.882 -3.987 + 305TIP3 H1 7224 -0.852 -2.959 -3.941 + 305TIP3 H2 7225 -0.791 -2.917 -4.074 + 306TIP3 OH2 7226 -1.103 -3.351 -3.257 + 306TIP3 H1 7227 -1.197 -3.366 -3.280 + 306TIP3 H2 7228 -1.061 -3.423 -3.306 + 307TIP3 OH2 7229 -1.840 -2.942 -3.653 + 307TIP3 H1 7230 -1.799 -2.855 -3.665 + 307TIP3 H2 7231 -1.932 -2.924 -3.676 + 308TIP3 OH2 7232 -2.234 -3.451 -4.198 + 308TIP3 H1 7233 -2.178 -3.385 -4.154 + 308TIP3 H2 7234 -2.323 -3.427 -4.166 + 309TIP3 OH2 7235 -1.657 -3.173 -3.690 + 309TIP3 H1 7236 -1.687 -3.082 -3.676 + 309TIP3 H2 7237 -1.728 -3.223 -3.647 + 310TIP3 OH2 7238 -1.641 -2.747 -3.055 + 310TIP3 H1 7239 -1.585 -2.672 -3.082 + 310TIP3 H2 7240 -1.580 -2.796 -2.998 + 311TIP3 OH2 7241 -1.796 -2.653 -3.730 + 311TIP3 H1 7242 -1.892 -2.638 -3.726 + 311TIP3 H2 7243 -1.762 -2.564 -3.708 + 312TIP3 OH2 7244 -1.300 -3.172 -3.098 + 312TIP3 H1 7245 -1.330 -3.199 -3.009 + 312TIP3 H2 7246 -1.227 -3.234 -3.114 + 313TIP3 OH2 7247 -1.086 -3.033 -4.199 + 313TIP3 H1 7248 -1.036 -3.079 -4.128 + 313TIP3 H2 7249 -1.176 -3.051 -4.168 + 314TIP3 OH2 7250 -1.004 -2.716 -2.860 + 314TIP3 H1 7251 -1.081 -2.761 -2.899 + 314TIP3 H2 7252 -0.997 -2.635 -2.915 + 315TIP3 OH2 7253 -0.594 -2.593 -4.153 + 315TIP3 H1 7254 -0.525 -2.525 -4.139 + 315TIP3 H2 7255 -0.676 -2.541 -4.137 + 316TIP3 OH2 7256 -2.219 -3.961 -2.894 + 316TIP3 H1 7257 -2.310 -3.944 -2.925 + 316TIP3 H2 7258 -2.234 -4.047 -2.848 + 317TIP3 OH2 7259 -0.983 -3.185 -3.973 + 317TIP3 H1 7260 -1.014 -3.251 -3.908 + 317TIP3 H2 7261 -0.887 -3.187 -3.958 + 318TIP3 OH2 7262 -2.244 -2.803 -3.051 + 318TIP3 H1 7263 -2.215 -2.894 -3.033 + 318TIP3 H2 7264 -2.224 -2.762 -2.966 + 319TIP3 OH2 7265 -1.627 -2.951 -4.328 + 319TIP3 H1 7266 -1.597 -3.041 -4.351 + 319TIP3 H2 7267 -1.685 -2.970 -4.252 + 320TIP3 OH2 7268 -1.779 -2.986 -4.076 + 320TIP3 H1 7269 -1.726 -3.036 -4.013 + 320TIP3 H2 7270 -1.759 -2.893 -4.050 + 321TIP3 OH2 7271 -2.091 -3.248 -4.033 + 321TIP3 H1 7272 -2.167 -3.206 -3.988 + 321TIP3 H2 7273 -2.047 -3.170 -4.071 + 322TIP3 OH2 7274 -1.330 -4.008 -3.026 + 322TIP3 H1 7275 -1.267 -3.982 -2.957 + 322TIP3 H2 7276 -1.366 -4.092 -2.992 + 323TIP3 OH2 7277 -1.253 -4.049 -3.922 + 323TIP3 H1 7278 -1.232 -3.991 -3.997 + 323TIP3 H2 7279 -1.214 -4.000 -3.847 + 324TIP3 OH2 7280 -1.482 -2.826 -4.025 + 324TIP3 H1 7281 -1.563 -2.776 -4.005 + 324TIP3 H2 7282 -1.434 -2.762 -4.080 + 325TIP3 OH2 7283 -1.518 -3.849 -3.812 + 325TIP3 H1 7284 -1.442 -3.790 -3.798 + 325TIP3 H2 7285 -1.548 -3.866 -3.721 + 326TIP3 OH2 7286 -1.481 -3.759 -2.901 + 326TIP3 H1 7287 -1.475 -3.710 -2.817 + 326TIP3 H2 7288 -1.428 -3.837 -2.882 + 327TIP3 OH2 7289 -1.442 -4.171 -3.714 + 327TIP3 H1 7290 -1.475 -4.096 -3.662 + 327TIP3 H2 7291 -1.389 -4.126 -3.782 + 328TIP3 OH2 7292 -1.756 -2.709 -4.023 + 328TIP3 H1 7293 -1.765 -2.625 -4.074 + 328TIP3 H2 7294 -1.776 -2.679 -3.933 + 329TIP3 OH2 7295 -1.889 -4.043 -4.075 + 329TIP3 H1 7296 -1.894 -3.966 -4.015 + 329TIP3 H2 7297 -1.806 -4.084 -4.044 + 330TIP3 OH2 7298 -0.845 -3.962 -2.819 + 330TIP3 H1 7299 -0.942 -3.952 -2.827 + 330TIP3 H2 7300 -0.826 -3.992 -2.909 + 331TIP3 OH2 7301 -1.002 -3.574 -3.413 + 331TIP3 H1 7302 -1.085 -3.619 -3.437 + 331TIP3 H2 7303 -0.954 -3.645 -3.364 + 332TIP3 OH2 7304 -2.056 -2.950 -4.155 + 332TIP3 H1 7305 -1.971 -2.924 -4.115 + 332TIP3 H2 7306 -2.025 -2.995 -4.235 + 333TIP3 OH2 7307 -2.228 -3.734 -4.251 + 333TIP3 H1 7308 -2.214 -3.638 -4.238 + 333TIP3 H2 7309 -2.317 -3.734 -4.290 + 334TIP3 OH2 7310 -0.901 -2.690 -3.270 + 334TIP3 H1 7311 -0.920 -2.609 -3.320 + 334TIP3 H2 7312 -0.808 -2.673 -3.245 + 335TIP3 OH2 7313 -2.221 -4.242 -3.353 + 335TIP3 H1 7314 -2.180 -4.244 -3.441 + 335TIP3 H2 7315 -2.201 -4.332 -3.325 + 336TIP3 OH2 7316 -2.250 -2.883 -3.743 + 336TIP3 H1 7317 -2.331 -2.834 -3.727 + 336TIP3 H2 7318 -2.214 -2.837 -3.820 + 337TIP3 OH2 7319 -2.311 -2.598 -2.630 + 337TIP3 H1 7320 -2.253 -2.625 -2.556 + 337TIP3 H2 7321 -2.350 -2.684 -2.656 + 338TIP3 OH2 7322 -1.839 -2.689 -2.451 + 338TIP3 H1 7323 -1.774 -2.756 -2.428 + 338TIP3 H2 7324 -1.865 -2.718 -2.541 + 339TIP3 OH2 7325 -1.418 -2.754 -4.326 + 339TIP3 H1 7326 -1.502 -2.805 -4.332 + 339TIP3 H2 7327 -1.355 -2.821 -4.356 + 340TIP3 OH2 7328 -1.192 -2.867 -2.594 + 340TIP3 H1 7329 -1.235 -2.946 -2.556 + 340TIP3 H2 7330 -1.127 -2.844 -2.526 + 341TIP3 OH2 7331 -1.057 -2.757 -4.278 + 341TIP3 H1 7332 -1.057 -2.851 -4.253 + 341TIP3 H2 7333 -0.991 -2.751 -4.347 + 342TIP3 OH2 7334 -2.315 -3.235 -2.517 + 342TIP3 H1 7335 -2.307 -3.326 -2.550 + 342TIP3 H2 7336 -2.393 -3.204 -2.568 + 343TIP3 OH2 7337 -1.899 -3.204 -4.308 + 343TIP3 H1 7338 -1.854 -3.244 -4.232 + 343TIP3 H2 7339 -1.828 -3.179 -4.370 + 344TIP3 OH2 7340 -1.651 -3.215 -2.583 + 344TIP3 H1 7341 -1.684 -3.183 -2.669 + 344TIP3 H2 7342 -1.645 -3.312 -2.597 + 345TIP3 OH2 7343 -1.335 -3.081 4.296 + 345TIP3 H1 7344 -1.346 -3.064 4.389 + 345TIP3 H2 7345 -1.342 -3.177 4.290 + 346TIP3 OH2 7346 -1.116 -3.255 -2.844 + 346TIP3 H1 7347 -1.039 -3.198 -2.862 + 346TIP3 H2 7348 -1.188 -3.190 -2.845 + 347TIP3 OH2 7349 -2.229 -3.522 -2.600 + 347TIP3 H1 7350 -2.155 -3.586 -2.598 + 347TIP3 H2 7351 -2.234 -3.499 -2.506 + 348TIP3 OH2 7352 -1.784 -3.384 -4.093 + 348TIP3 H1 7353 -1.848 -3.426 -4.033 + 348TIP3 H2 7354 -1.753 -3.461 -4.145 + 349TIP3 OH2 7355 -1.865 -3.609 -2.857 + 349TIP3 H1 7356 -1.918 -3.530 -2.836 + 349TIP3 H2 7357 -1.799 -3.572 -2.919 + 350TIP3 OH2 7358 -1.663 -3.571 -4.275 + 350TIP3 H1 7359 -1.664 -3.598 -4.368 + 350TIP3 H2 7360 -1.567 -3.581 -4.254 + 351TIP3 OH2 7361 -1.333 -3.338 -2.501 + 351TIP3 H1 7362 -1.243 -3.358 -2.530 + 351TIP3 H2 7363 -1.359 -3.421 -2.459 + 352TIP3 OH2 7364 -1.805 -3.879 -2.746 + 352TIP3 H1 7365 -1.797 -3.944 -2.817 + 352TIP3 H2 7366 -1.826 -3.798 -2.795 + 353TIP3 OH2 7367 -1.767 -4.037 -3.003 + 353TIP3 H1 7368 -1.714 -3.982 -3.065 + 353TIP3 H2 7369 -1.858 -4.027 -3.037 + 354TIP3 OH2 7370 -1.617 -3.487 -2.957 + 354TIP3 H1 7371 -1.533 -3.495 -3.005 + 354TIP3 H2 7372 -1.648 -3.400 -2.987 + 355TIP3 OH2 7373 -1.159 -3.693 -2.481 + 355TIP3 H1 7374 -1.141 -3.786 -2.460 + 355TIP3 H2 7375 -1.069 -3.656 -2.482 + 356TIP3 OH2 7376 -1.061 -3.414 -2.629 + 356TIP3 H1 7377 -1.096 -3.354 -2.698 + 356TIP3 H2 7378 -0.972 -3.431 -2.667 + 357TIP3 OH2 7379 -1.983 -3.696 -2.563 + 357TIP3 H1 7380 -2.036 -3.777 -2.561 + 357TIP3 H2 7381 -1.903 -3.726 -2.607 + 358TIP3 OH2 7382 -1.718 -4.278 -2.882 + 358TIP3 H1 7383 -1.707 -4.187 -2.916 + 358TIP3 H2 7384 -1.811 -4.292 -2.903 + 359TIP3 OH2 7385 -1.571 -3.843 -2.586 + 359TIP3 H1 7386 -1.602 -3.871 -2.497 + 359TIP3 H2 7387 -1.652 -3.863 -2.637 + 360TIP3 OH2 7388 -1.312 -3.944 -2.687 + 360TIP3 H1 7389 -1.401 -3.931 -2.650 + 360TIP3 H2 7390 -1.275 -4.010 -2.625 + 361TIP3 OH2 7391 -1.138 -4.136 -2.518 + 361TIP3 H1 7392 -1.155 -4.224 -2.481 + 361TIP3 H2 7393 -1.154 -4.077 -2.443 + 362TIP3 OH2 7394 -2.106 -3.959 -2.575 + 362TIP3 H1 7395 -2.131 -4.021 -2.646 + 362TIP3 H2 7396 -2.148 -3.998 -2.497 + 363TIP3 OH2 7397 -1.608 -4.145 -2.476 + 363TIP3 H1 7398 -1.631 -4.228 -2.522 + 363TIP3 H2 7399 -1.694 -4.100 -2.469 + 364TIP3 OH2 7400 -1.707 -2.452 -4.167 + 364TIP3 H1 7401 -1.610 -2.448 -4.166 + 364TIP3 H2 7402 -1.732 -2.400 -4.246 + 365TIP3 OH2 7403 -2.316 -3.060 -4.194 + 365TIP3 H1 7404 -2.229 -3.015 -4.196 + 365TIP3 H2 7405 -2.316 -3.107 -4.279 + 366TIP3 OH2 7406 -2.425 -2.498 -3.716 + 366TIP3 H1 7407 -2.496 -2.535 -3.771 + 366TIP3 H2 7408 -2.413 -2.568 -3.649 + 367TIP3 OH2 7409 -2.385 -2.697 -3.520 + 367TIP3 H1 7410 -2.413 -2.786 -3.490 + 367TIP3 H2 7411 -2.349 -2.664 -3.436 + 368TIP3 OH2 7412 -0.629 -2.574 -3.219 + 368TIP3 H1 7413 -0.614 -2.573 -3.124 + 368TIP3 H2 7414 -0.545 -2.542 -3.252 + 369TIP3 OH2 7415 -0.640 -2.628 -2.932 + 369TIP3 H1 7416 -0.692 -2.703 -2.967 + 369TIP3 H2 7417 -0.585 -2.674 -2.867 + 370TIP3 OH2 7418 -0.839 -3.085 -2.502 + 370TIP3 H1 7419 -0.928 -3.078 -2.463 + 370TIP3 H2 7420 -0.795 -3.004 -2.471 + 371TIP3 OH2 7421 -0.697 -3.211 -3.927 + 371TIP3 H1 7422 -0.609 -3.170 -3.914 + 371TIP3 H2 7423 -0.703 -3.267 -3.848 + 372TIP3 OH2 7424 -0.627 -3.407 -3.702 + 372TIP3 H1 7425 -0.709 -3.454 -3.679 + 372TIP3 H2 7426 -0.577 -3.409 -3.619 + 373TIP3 OH2 7427 -0.673 -3.157 -3.233 + 373TIP3 H1 7428 -0.612 -3.197 -3.297 + 373TIP3 H2 7429 -0.672 -3.064 -3.260 + 374TIP3 OH2 7430 -0.811 -2.858 -3.009 + 374TIP3 H1 7431 -0.883 -2.816 -2.960 + 374TIP3 H2 7432 -0.858 -2.892 -3.088 + 375TIP3 OH2 7433 -0.624 -3.431 -4.113 + 375TIP3 H1 7434 -0.697 -3.408 -4.173 + 375TIP3 H2 7435 -0.640 -3.366 -4.043 + 376TIP3 OH2 7436 -0.804 -3.697 -4.215 + 376TIP3 H1 7437 -0.780 -3.625 -4.276 + 376TIP3 H2 7438 -0.771 -3.774 -4.261 + 377TIP3 OH2 7439 -0.851 -3.578 -3.651 + 377TIP3 H1 7440 -0.861 -3.672 -3.672 + 377TIP3 H2 7441 -0.894 -3.572 -3.563 + 378TIP3 OH2 7442 -2.376 -3.363 -3.280 + 378TIP3 H1 7443 -2.351 -3.359 -3.374 + 378TIP3 H2 7444 -2.290 -3.386 -3.239 + 379TIP3 OH2 7445 -0.800 -3.393 -2.738 + 379TIP3 H1 7446 -0.727 -3.455 -2.719 + 379TIP3 H2 7447 -0.753 -3.310 -2.753 + 380TIP3 OH2 7448 -0.644 -3.583 -2.614 + 380TIP3 H1 7449 -0.724 -3.636 -2.638 + 380TIP3 H2 7450 -0.575 -3.652 -2.616 + 381TIP3 OH2 7451 -0.886 -4.020 -4.340 + 381TIP3 H1 7452 -0.827 -4.045 -4.267 + 381TIP3 H2 7453 -0.974 -4.048 -4.310 + 382TIP3 OH2 7454 -0.882 -3.823 -3.833 + 382TIP3 H1 7455 -0.864 -3.920 -3.825 + 382TIP3 H2 7456 -0.797 -3.793 -3.871 + 383TIP3 OH2 7457 -0.851 -3.770 -3.292 + 383TIP3 H1 7458 -0.753 -3.772 -3.292 + 383TIP3 H2 7459 -0.867 -3.777 -3.196 + 384TIP3 OH2 7460 -0.836 -3.704 -3.007 + 384TIP3 H1 7461 -0.921 -3.665 -2.980 + 384TIP3 H2 7462 -0.784 -3.626 -3.028 + 385TIP3 OH2 7463 -2.392 -3.836 -2.629 + 385TIP3 H1 7464 -2.299 -3.858 -2.643 + 385TIP3 H2 7465 -2.434 -3.923 -2.630 + 386TIP3 OH2 7466 -0.619 -4.275 -2.428 + 386TIP3 H1 7467 -0.573 -4.356 -2.451 + 386TIP3 H2 7468 -0.618 -4.218 -2.508 + 387TIP3 OH2 7469 -0.850 -4.095 -3.822 + 387TIP3 H1 7470 -0.821 -4.148 -3.746 + 387TIP3 H2 7471 -0.910 -4.157 -3.866 + 388TIP3 OH2 7472 -2.316 -3.990 -3.360 + 388TIP3 H1 7473 -2.285 -4.082 -3.350 + 388TIP3 H2 7474 -2.241 -3.940 -3.322 + 389TIP3 OH2 7475 -2.456 -3.727 -3.258 + 389TIP3 H1 7476 -2.395 -3.733 -3.333 + 389TIP3 H2 7477 -2.417 -3.654 -3.208 + 390TIP3 OH2 7478 -0.642 -4.111 -2.645 + 390TIP3 H1 7479 -0.727 -4.065 -2.638 + 390TIP3 H2 7480 -0.652 -4.148 -2.735 + 391TIP3 OH2 7481 -0.631 -4.073 -4.174 + 391TIP3 H1 7482 -0.605 -4.145 -4.233 + 391TIP3 H2 7483 -0.548 -4.022 -4.166 + 392TIP3 OH2 7484 -2.400 -4.101 -3.853 + 392TIP3 H1 7485 -2.495 -4.095 -3.872 + 392TIP3 H2 7486 -2.362 -4.033 -3.912 + 393TIP3 OH2 7487 -0.943 -2.572 -3.641 + 393TIP3 H1 7488 -0.895 -2.595 -3.722 + 393TIP3 H2 7489 -0.874 -2.530 -3.587 + 394TIP3 OH2 7490 -2.424 -4.127 -3.000 + 394TIP3 H1 7491 -2.425 -4.220 -2.972 + 394TIP3 H2 7492 -2.443 -4.136 -3.095 + 395TIP3 OH2 7493 -2.201 -2.895 -2.568 + 395TIP3 H1 7494 -2.275 -2.898 -2.630 + 395TIP3 H2 7495 -2.245 -2.903 -2.482 + 396TIP3 OH2 7496 -1.917 -2.799 -3.000 + 396TIP3 H1 7497 -1.948 -2.713 -3.034 + 396TIP3 H2 7498 -1.821 -2.789 -3.017 + 397TIP3 OH2 7499 -1.466 -2.668 -2.699 + 397TIP3 H1 7500 -1.453 -2.684 -2.604 + 397TIP3 H2 7501 -1.383 -2.623 -2.723 + 398TIP3 OH2 7502 -1.236 -2.521 -2.774 + 398TIP3 H1 7503 -1.169 -2.587 -2.796 + 398TIP3 H2 7504 -1.207 -2.492 -2.685 + 399TIP3 OH2 7505 -0.778 -4.275 -2.854 + 399TIP3 H1 7506 -0.831 -4.216 -2.911 + 399TIP3 H2 7507 -0.757 -4.344 -2.918 + 400TIP3 OH2 7508 -2.180 -2.503 -2.967 + 400TIP3 H1 7509 -2.240 -2.439 -3.010 + 400TIP3 H2 7510 -2.211 -2.499 -2.876 + 401TIP3 OH2 7511 -1.930 -2.525 -3.111 + 401TIP3 H1 7512 -2.016 -2.507 -3.067 + 401TIP3 H2 7513 -1.927 -2.456 -3.179 + 402TIP3 OH2 7514 -1.455 -2.526 -3.155 + 402TIP3 H1 7515 -1.494 -2.481 -3.233 + 402TIP3 H2 7516 -1.448 -2.451 -3.092 + 403TIP3 OH2 7517 -1.222 -2.654 -3.063 + 403TIP3 H1 7518 -1.307 -2.618 -3.096 + 403TIP3 H2 7519 -1.167 -2.575 -3.065 + 404TIP3 OH2 7520 -0.968 -2.481 -3.044 + 404TIP3 H1 7521 -0.974 -2.386 -3.066 + 404TIP3 H2 7522 -0.942 -2.517 -3.131 + 405TIP3 OH2 7523 -2.222 -2.623 -3.272 + 405TIP3 H1 7524 -2.224 -2.672 -3.187 + 405TIP3 H2 7525 -2.146 -2.667 -3.316 + 406TIP3 OH2 7526 -2.020 -2.747 -3.427 + 406TIP3 H1 7527 -2.036 -2.840 -3.402 + 406TIP3 H2 7528 -1.929 -2.733 -3.396 + 407TIP3 OH2 7529 -1.743 -2.701 -3.339 + 407TIP3 H1 7530 -1.725 -2.794 -3.362 + 407TIP3 H2 7531 -1.737 -2.705 -3.243 + 408TIP3 OH2 7532 -1.415 -4.112 -3.412 + 408TIP3 H1 7533 -1.477 -4.182 -3.383 + 408TIP3 H2 7534 -1.354 -4.162 -3.469 + 409TIP3 OH2 7535 -0.885 -4.327 -3.363 + 409TIP3 H1 7536 -0.826 -4.290 -3.431 + 409TIP3 H2 7537 -0.973 -4.307 -3.398 + 410TIP3 OH2 7538 -0.691 -4.224 -3.583 + 410TIP3 H1 7539 -0.637 -4.248 -3.659 + 410TIP3 H2 7540 -0.672 -4.129 -3.572 + 411TIP3 OH2 7541 -2.179 -4.282 -3.678 + 411TIP3 H1 7542 -2.270 -4.306 -3.699 + 411TIP3 H2 7543 -2.143 -4.364 -3.642 + 412TIP3 OH2 7544 -2.318 -4.282 -4.068 + 412TIP3 H1 7545 -2.266 -4.231 -4.134 + 412TIP3 H2 7546 -2.352 -4.211 -4.011 + 413TIP3 OH2 7547 -1.729 -4.226 -3.652 + 413TIP3 H1 7548 -1.635 -4.235 -3.672 + 413TIP3 H2 7549 -1.743 -4.293 -3.584 + 414TIP3 OH2 7550 -1.172 -4.264 -3.516 + 414TIP3 H1 7551 -1.141 -4.263 -3.607 + 414TIP3 H2 7552 -1.188 -4.358 -3.499 + 415TIP3 OH2 7553 -1.067 -4.270 -3.915 + 415TIP3 H1 7554 -1.141 -4.215 -3.946 + 415TIP3 H2 7555 -1.104 -4.360 -3.919 + 416TIP3 OH2 7556 -2.295 -2.699 -3.960 + 416TIP3 H1 7557 -2.361 -2.698 -4.031 + 416TIP3 H2 7558 -2.282 -2.605 -3.946 + 417TIP3 OH2 7559 -2.128 -4.125 -4.223 + 417TIP3 H1 7560 -2.066 -4.163 -4.286 + 417TIP3 H2 7561 -2.070 -4.063 -4.176 + 418TIP3 OH2 7562 -1.607 -4.057 -3.985 + 418TIP3 H1 7563 -1.597 -4.142 -3.937 + 418TIP3 H2 7564 -1.585 -3.991 -3.917 + 419TIP3 OH2 7565 -1.414 -2.530 -4.147 + 419TIP3 H1 7566 -1.317 -2.518 -4.145 + 419TIP3 H2 7567 -1.422 -2.593 -4.221 + 420TIP3 OH2 7568 -0.749 -2.614 -3.880 + 420TIP3 H1 7569 -0.778 -2.697 -3.924 + 420TIP3 H2 7570 -0.771 -2.547 -3.948 + 421TIP3 OH2 7571 -2.216 -4.178 -2.732 + 421TIP3 H1 7572 -2.262 -4.257 -2.699 + 421TIP3 H2 7573 -2.128 -4.217 -2.744 + 422TIP3 OH2 7574 -1.923 -4.279 -2.467 + 422TIP3 H1 7575 -1.836 -4.305 -2.505 + 422TIP3 H2 7576 -1.946 -4.357 -2.416 + 423TIP3 OH2 7577 -2.050 -2.563 -4.195 + 423TIP3 H1 7578 -2.146 -2.565 -4.182 + 423TIP3 H2 7579 -2.033 -2.647 -4.239 + 424TIP3 OH2 7580 -0.809 -2.734 -2.641 + 424TIP3 H1 7581 -0.883 -2.754 -2.702 + 424TIP3 H2 7582 -0.827 -2.641 -2.620 + 425TIP3 OH2 7583 0.614 -3.366 -3.629 + 425TIP3 H1 7584 0.611 -3.270 -3.617 + 425TIP3 H2 7585 0.535 -3.381 -3.683 + 426TIP3 OH2 7586 0.496 -3.421 -3.320 + 426TIP3 H1 7587 0.497 -3.475 -3.240 + 426TIP3 H2 7588 0.462 -3.487 -3.384 + 427TIP3 OH2 7589 -0.249 -3.452 -3.171 + 427TIP3 H1 7590 -0.261 -3.526 -3.108 + 427TIP3 H2 7591 -0.188 -3.397 -3.119 + 428TIP3 OH2 7592 0.864 -3.148 -3.488 + 428TIP3 H1 7593 0.827 -3.220 -3.435 + 428TIP3 H2 7594 0.894 -3.087 -3.418 + 429TIP3 OH2 7595 -0.185 -3.014 -3.318 + 429TIP3 H1 7596 -0.213 -3.106 -3.323 + 429TIP3 H2 7597 -0.094 -3.023 -3.284 + 430TIP3 OH2 7598 -0.498 -3.658 -3.741 + 430TIP3 H1 7599 -0.535 -3.570 -3.756 + 430TIP3 H2 7600 -0.554 -3.713 -3.797 + 431TIP3 OH2 7601 0.569 -2.613 -3.431 + 431TIP3 H1 7602 0.628 -2.684 -3.463 + 431TIP3 H2 7603 0.544 -2.646 -3.344 + 432TIP3 OH2 7604 0.345 -3.171 -3.263 + 432TIP3 H1 7605 0.377 -3.243 -3.319 + 432TIP3 H2 7606 0.426 -3.155 -3.211 + 433TIP3 OH2 7607 1.202 -4.017 -3.207 + 433TIP3 H1 7608 1.234 -3.972 -3.127 + 433TIP3 H2 7609 1.267 -3.986 -3.273 + 434TIP3 OH2 7610 0.675 -3.739 -3.212 + 434TIP3 H1 7611 0.692 -3.835 -3.210 + 434TIP3 H2 7612 0.660 -3.724 -3.306 + 435TIP3 OH2 7613 0.757 -3.922 -3.672 + 435TIP3 H1 7614 0.815 -3.968 -3.607 + 435TIP3 H2 7615 0.823 -3.878 -3.727 + 436TIP3 OH2 7616 -0.347 -3.615 -3.457 + 436TIP3 H1 7617 -0.293 -3.684 -3.415 + 436TIP3 H2 7618 -0.361 -3.656 -3.545 + 437TIP3 OH2 7619 1.295 -3.848 -2.941 + 437TIP3 H1 7620 1.219 -3.797 -2.975 + 437TIP3 H2 7621 1.256 -3.891 -2.864 + 438TIP3 OH2 7622 -0.148 -4.049 -3.096 + 438TIP3 H1 7623 -0.177 -3.991 -3.169 + 438TIP3 H2 7624 -0.216 -4.028 -3.028 + 439TIP3 OH2 7625 0.599 -3.083 -3.749 + 439TIP3 H1 7626 0.571 -3.104 -3.838 + 439TIP3 H2 7627 0.557 -2.997 -3.733 + 440TIP3 OH2 7628 0.145 -3.270 -3.073 + 440TIP3 H1 7629 0.071 -3.210 -3.054 + 440TIP3 H2 7630 0.208 -3.212 -3.120 + 441TIP3 OH2 7631 0.952 -4.011 -3.469 + 441TIP3 H1 7632 0.904 -4.067 -3.407 + 441TIP3 H2 7633 0.997 -3.949 -3.410 + 442TIP3 OH2 7634 -0.160 -3.872 -3.324 + 442TIP3 H1 7635 -0.101 -3.806 -3.282 + 442TIP3 H2 7636 -0.113 -3.879 -3.409 + 443TIP3 OH2 7637 -0.062 -3.083 -3.016 + 443TIP3 H1 7638 -0.060 -2.987 -3.034 + 443TIP3 H2 7639 -0.143 -3.089 -2.962 + 444TIP3 OH2 7640 -0.427 -3.113 -3.914 + 444TIP3 H1 7641 -0.443 -3.076 -4.003 + 444TIP3 H2 7642 -0.411 -3.035 -3.858 + 445TIP3 OH2 7643 0.920 -2.968 -3.240 + 445TIP3 H1 7644 0.823 -2.955 -3.237 + 445TIP3 H2 7645 0.948 -2.882 -3.275 + 446TIP3 OH2 7646 0.963 -4.109 -3.065 + 446TIP3 H1 7647 0.882 -4.079 -3.110 + 446TIP3 H2 7648 1.028 -4.099 -3.137 + 447TIP3 OH2 7649 0.276 4.370 -3.328 + 447TIP3 H1 7650 0.272 4.286 -3.375 + 447TIP3 H2 7651 0.186 4.407 -3.333 + 448TIP3 OH2 7652 0.749 -2.773 -3.586 + 448TIP3 H1 7653 0.798 -2.853 -3.613 + 448TIP3 H2 7654 0.819 -2.705 -3.590 + 449TIP3 OH2 7655 0.895 -2.986 -3.719 + 449TIP3 H1 7656 0.845 -3.033 -3.787 + 449TIP3 H2 7657 0.891 -3.050 -3.645 + 450TIP3 OH2 7658 1.050 -3.105 -2.871 + 450TIP3 H1 7659 1.039 -3.169 -2.943 + 450TIP3 H2 7660 1.062 -3.021 -2.920 + 451TIP3 OH2 7661 0.480 -3.415 -3.906 + 451TIP3 H1 7662 0.413 -3.355 -3.944 + 451TIP3 H2 7663 0.553 -3.408 -3.968 + 452TIP3 OH2 7664 0.494 -3.591 -4.207 + 452TIP3 H1 7665 0.561 -3.562 -4.143 + 452TIP3 H2 7666 0.549 -3.652 -4.262 + 453TIP3 OH2 7667 1.226 -3.488 -3.077 + 453TIP3 H1 7668 1.153 -3.423 -3.068 + 453TIP3 H2 7669 1.273 -3.453 -3.155 + 454TIP3 OH2 7670 0.827 -3.415 -3.795 + 454TIP3 H1 7671 0.758 -3.394 -3.728 + 454TIP3 H2 7672 0.887 -3.472 -3.742 + 455TIP3 OH2 7673 0.812 -3.562 -2.910 + 455TIP3 H1 7674 0.816 -3.481 -2.857 + 455TIP3 H2 7675 0.746 -3.533 -2.976 + 456TIP3 OH2 7676 0.120 -3.001 -3.342 + 456TIP3 H1 7677 0.121 -3.036 -3.431 + 456TIP3 H2 7678 0.200 -3.043 -3.304 + 457TIP3 OH2 7679 0.028 -3.395 -3.314 + 457TIP3 H1 7680 0.081 -3.462 -3.361 + 457TIP3 H2 7681 0.078 -3.385 -3.230 + 458TIP3 OH2 7682 0.638 -2.904 -3.210 + 458TIP3 H1 7683 0.642 -2.838 -3.139 + 458TIP3 H2 7684 0.617 -2.987 -3.162 + 459TIP3 OH2 7685 0.130 -3.024 -2.783 + 459TIP3 H1 7686 0.080 -2.957 -2.733 + 459TIP3 H2 7687 0.065 -3.050 -2.852 + 460TIP3 OH2 7688 0.735 -3.467 -4.057 + 460TIP3 H1 7689 0.776 -3.443 -3.971 + 460TIP3 H2 7690 0.797 -3.425 -4.120 + 461TIP3 OH2 7691 -0.182 -3.378 -2.880 + 461TIP3 H1 7692 -0.172 -3.327 -2.797 + 461TIP3 H2 7693 -0.276 -3.400 -2.878 + 462TIP3 OH2 7694 0.461 -2.811 -3.692 + 462TIP3 H1 7695 0.517 -2.784 -3.618 + 462TIP3 H2 7696 0.421 -2.727 -3.719 + 463TIP3 OH2 7697 -0.060 -2.807 -2.702 + 463TIP3 H1 7698 -0.072 -2.802 -2.799 + 463TIP3 H2 7699 -0.148 -2.834 -2.670 + 464TIP3 OH2 7700 1.057 -4.338 -4.126 + 464TIP3 H1 7701 0.996 -4.330 -4.050 + 464TIP3 H2 7702 1.119 -4.267 -4.107 + 465TIP3 OH2 7703 -0.129 -3.432 -3.812 + 465TIP3 H1 7704 -0.135 -3.386 -3.897 + 465TIP3 H2 7705 -0.149 -3.524 -3.834 + 466TIP3 OH2 7706 1.183 -2.876 -4.253 + 466TIP3 H1 7707 1.207 -2.792 -4.210 + 466TIP3 H2 7708 1.260 -2.933 -4.235 + 467TIP3 OH2 7709 -0.510 -3.197 -2.994 + 467TIP3 H1 7710 -0.565 -3.196 -3.076 + 467TIP3 H2 7711 -0.504 -3.292 -2.974 + 468TIP3 OH2 7712 -0.510 -2.904 -3.298 + 468TIP3 H1 7713 -0.417 -2.929 -3.289 + 468TIP3 H2 7714 -0.519 -2.842 -3.224 + 469TIP3 OH2 7715 1.329 -2.842 -2.719 + 469TIP3 H1 7716 1.317 -2.937 -2.736 + 469TIP3 H2 7717 1.238 -2.817 -2.690 + 470TIP3 OH2 7718 0.393 -2.919 -2.840 + 470TIP3 H1 7719 0.402 -2.837 -2.787 + 470TIP3 H2 7720 0.304 -2.949 -2.815 + 471TIP3 OH2 7721 0.425 -2.540 -3.847 + 471TIP3 H1 7722 0.423 -2.527 -3.944 + 471TIP3 H2 7723 0.428 -2.449 -3.813 + 472TIP3 OH2 7724 -0.198 -2.628 -3.681 + 472TIP3 H1 7725 -0.181 -2.670 -3.594 + 472TIP3 H2 7726 -0.285 -2.663 -3.702 + 473TIP3 OH2 7727 0.730 -2.566 -4.102 + 473TIP3 H1 7728 0.780 -2.601 -4.177 + 473TIP3 H2 7729 0.748 -2.630 -4.030 + 474TIP3 OH2 7730 0.697 -2.673 -3.849 + 474TIP3 H1 7731 0.607 -2.642 -3.832 + 474TIP3 H2 7732 0.714 -2.727 -3.770 + 475TIP3 OH2 7733 1.009 -3.708 -2.680 + 475TIP3 H1 7734 0.956 -3.669 -2.751 + 475TIP3 H2 7735 1.015 -3.801 -2.709 + 476TIP3 OH2 7736 -0.296 -3.040 -2.865 + 476TIP3 H1 7737 -0.269 -3.088 -2.784 + 476TIP3 H2 7738 -0.368 -3.097 -2.900 + 477TIP3 OH2 7739 0.022 -4.216 -3.277 + 477TIP3 H1 7740 -0.061 -4.244 -3.319 + 477TIP3 H2 7741 -0.007 -4.137 -3.229 + 478TIP3 OH2 7742 0.483 -4.260 -2.915 + 478TIP3 H1 7743 0.498 -4.309 -2.833 + 478TIP3 H2 7744 0.389 -4.277 -2.929 + 479TIP3 OH2 7745 0.779 -3.863 -2.873 + 479TIP3 H1 7746 0.719 -3.875 -2.797 + 479TIP3 H2 7747 0.772 -3.768 -2.892 + 480TIP3 OH2 7748 0.957 -3.386 -4.253 + 480TIP3 H1 7749 0.912 -3.403 -4.337 + 480TIP3 H2 7750 0.987 -3.295 -4.270 + 481TIP3 OH2 7751 0.442 -3.997 -4.213 + 481TIP3 H1 7752 0.387 -3.995 -4.132 + 481TIP3 H2 7753 0.394 -4.065 -4.262 + 482TIP3 OH2 7754 0.005 -3.718 -3.146 + 482TIP3 H1 7755 -0.060 -3.703 -3.076 + 482TIP3 H2 7756 0.003 -3.636 -3.197 + 483TIP3 OH2 7757 0.570 -3.654 -3.785 + 483TIP3 H1 7758 0.528 -3.572 -3.818 + 483TIP3 H2 7759 0.632 -3.674 -3.856 + 484TIP3 OH2 7760 0.483 -3.632 -2.649 + 484TIP3 H1 7761 0.433 -3.707 -2.611 + 484TIP3 H2 7762 0.570 -3.643 -2.606 + 485TIP3 OH2 7763 0.651 -3.711 -3.504 + 485TIP3 H1 7764 0.621 -3.654 -3.578 + 485TIP3 H2 7765 0.669 -3.793 -3.554 + 486TIP3 OH2 7766 -0.259 -3.691 -2.972 + 486TIP3 H1 7767 -0.221 -3.667 -2.887 + 486TIP3 H2 7768 -0.296 -3.779 -2.951 + 487TIP3 OH2 7769 0.117 -3.958 -4.312 + 487TIP3 H1 7770 0.089 -3.984 -4.223 + 487TIP3 H2 7771 0.040 -3.908 -4.344 + 488TIP3 OH2 7772 -0.566 -3.950 -3.601 + 488TIP3 H1 7773 -0.512 -3.962 -3.521 + 488TIP3 H2 7774 -0.517 -3.997 -3.670 + 489TIP3 OH2 7775 -0.424 -3.917 -4.047 + 489TIP3 H1 7776 -0.354 -3.868 -4.093 + 489TIP3 H2 7777 -0.481 -3.845 -4.014 + 490TIP3 OH2 7778 0.560 -3.543 -3.057 + 490TIP3 H1 7779 0.603 -3.615 -3.110 + 490TIP3 H2 7780 0.527 -3.592 -2.981 + 491TIP3 OH2 7781 0.255 -3.967 -3.564 + 491TIP3 H1 7782 0.169 -3.925 -3.546 + 491TIP3 H2 7783 0.293 -3.975 -3.476 + 492TIP3 OH2 7784 -0.241 -3.799 -3.736 + 492TIP3 H1 7785 -0.336 -3.808 -3.724 + 492TIP3 H2 7786 -0.204 -3.889 -3.728 + 493TIP3 OH2 7787 0.087 -3.802 -3.933 + 493TIP3 H1 7788 0.168 -3.781 -3.884 + 493TIP3 H2 7789 0.067 -3.722 -3.982 + 494TIP3 OH2 7790 0.715 -4.031 -3.254 + 494TIP3 H1 7791 0.650 -4.035 -3.182 + 494TIP3 H2 7792 0.662 -4.065 -3.327 + 495TIP3 OH2 7793 -0.050 -3.663 -4.166 + 495TIP3 H1 7794 -0.099 -3.731 -4.215 + 495TIP3 H2 7795 0.035 -3.660 -4.212 + 496TIP3 OH2 7796 1.018 -2.454 -2.589 + 496TIP3 H1 7797 1.043 -2.409 -2.672 + 496TIP3 H2 7798 1.091 -2.426 -2.530 + 497TIP3 OH2 7799 -0.189 -3.194 -2.648 + 497TIP3 H1 7800 -0.121 -3.187 -2.577 + 497TIP3 H2 7801 -0.269 -3.196 -2.592 + 498TIP3 OH2 7802 0.388 -3.677 -3.374 + 498TIP3 H1 7803 0.445 -3.728 -3.431 + 498TIP3 H2 7804 0.354 -3.743 -3.311 + 499TIP3 OH2 7805 -0.100 -4.056 -3.730 + 499TIP3 H1 7806 -0.139 -4.144 -3.730 + 499TIP3 H2 7807 -0.018 -4.068 -3.779 + 500TIP3 OH2 7808 0.279 -3.845 -3.156 + 500TIP3 H1 7809 0.202 -3.785 -3.152 + 500TIP3 H2 7810 0.329 -3.820 -3.076 + 501TIP3 OH2 7811 0.289 -3.209 -3.957 + 501TIP3 H1 7812 0.215 -3.261 -3.992 + 501TIP3 H2 7813 0.273 -3.212 -3.860 + 502TIP3 OH2 7814 1.016 -3.293 -3.087 + 502TIP3 H1 7815 1.065 -3.239 -3.152 + 502TIP3 H2 7816 0.930 -3.305 -3.132 + 503TIP3 OH2 7817 0.711 -3.928 -4.193 + 503TIP3 H1 7818 0.614 -3.938 -4.186 + 503TIP3 H2 7819 0.733 -3.859 -4.127 + 504TIP3 OH2 7820 0.454 -3.210 -2.830 + 504TIP3 H1 7821 0.431 -3.241 -2.741 + 504TIP3 H2 7822 0.428 -3.116 -2.827 + 505TIP3 OH2 7823 0.771 -3.750 -3.990 + 505TIP3 H1 7824 0.855 -3.766 -3.944 + 505TIP3 H2 7825 0.785 -3.661 -4.029 + 506TIP3 OH2 7826 0.538 -3.076 -4.070 + 506TIP3 H1 7827 0.510 -2.987 -4.038 + 506TIP3 H2 7828 0.462 -3.129 -4.041 + 507TIP3 OH2 7829 -0.469 -3.443 -2.850 + 507TIP3 H1 7830 -0.451 -3.487 -2.765 + 507TIP3 H2 7831 -0.525 -3.507 -2.896 + 508TIP3 OH2 7832 0.230 -3.493 -2.657 + 508TIP3 H1 7833 0.202 -3.516 -2.747 + 508TIP3 H2 7834 0.323 -3.521 -2.659 + 509TIP3 OH2 7835 0.684 -2.951 -2.882 + 509TIP3 H1 7836 0.587 -2.941 -2.887 + 509TIP3 H2 7837 0.701 -2.924 -2.790 + 510TIP3 OH2 7838 1.243 -3.738 -4.002 + 510TIP3 H1 7839 1.177 -3.756 -4.072 + 510TIP3 H2 7840 1.254 -3.643 -4.017 + 511TIP3 OH2 7841 1.282 -3.141 -2.724 + 511TIP3 H1 7842 1.188 -3.119 -2.742 + 511TIP3 H2 7843 1.315 -3.158 -2.814 + 512TIP3 OH2 7844 1.068 -2.881 -3.990 + 512TIP3 H1 7845 1.036 -2.957 -3.940 + 512TIP3 H2 7846 1.094 -2.921 -4.075 + 513TIP3 OH2 7847 0.781 -3.350 -3.257 + 513TIP3 H1 7848 0.688 -3.366 -3.281 + 513TIP3 H2 7849 0.825 -3.423 -3.305 + 514TIP3 OH2 7850 0.042 -2.947 -3.654 + 514TIP3 H1 7851 0.092 -2.864 -3.663 + 514TIP3 H2 7852 -0.047 -2.917 -3.677 + 515TIP3 OH2 7853 -0.363 -3.407 -4.243 + 515TIP3 H1 7854 -0.304 -3.379 -4.170 + 515TIP3 H2 7855 -0.448 -3.413 -4.195 + 516TIP3 OH2 7856 0.208 -3.190 -3.686 + 516TIP3 H1 7857 0.179 -3.098 -3.673 + 516TIP3 H2 7858 0.135 -3.240 -3.647 + 517TIP3 OH2 7859 0.245 -2.747 -3.056 + 517TIP3 H1 7860 0.301 -2.672 -3.082 + 517TIP3 H2 7861 0.306 -2.797 -2.999 + 518TIP3 OH2 7862 0.089 -2.652 -3.734 + 518TIP3 H1 7863 -0.006 -2.636 -3.724 + 518TIP3 H2 7864 0.126 -2.566 -3.708 + 519TIP3 OH2 7865 0.586 -3.172 -3.099 + 519TIP3 H1 7866 0.558 -3.200 -3.010 + 519TIP3 H2 7867 0.659 -3.233 -3.116 + 520TIP3 OH2 7868 0.796 -3.029 -4.200 + 520TIP3 H1 7869 0.852 -3.072 -4.133 + 520TIP3 H2 7870 0.709 -3.048 -4.160 + 521TIP3 OH2 7871 0.880 -2.715 -2.859 + 521TIP3 H1 7872 0.804 -2.759 -2.902 + 521TIP3 H2 7873 0.892 -2.635 -2.913 + 522TIP3 OH2 7874 1.293 -2.598 -4.160 + 522TIP3 H1 7875 1.360 -2.528 -4.145 + 522TIP3 H2 7876 1.210 -2.550 -4.140 + 523TIP3 OH2 7877 -0.332 -3.960 -2.896 + 523TIP3 H1 7878 -0.425 -3.943 -2.924 + 523TIP3 H2 7879 -0.346 -4.046 -2.850 + 524TIP3 OH2 7880 0.899 -3.182 -3.969 + 524TIP3 H1 7881 0.873 -3.253 -3.907 + 524TIP3 H2 7882 0.997 -3.185 -3.961 + 525TIP3 OH2 7883 -0.356 -2.805 -3.051 + 525TIP3 H1 7884 -0.329 -2.895 -3.026 + 525TIP3 H2 7885 -0.338 -2.758 -2.968 + 526TIP3 OH2 7886 0.247 -2.939 -4.337 + 526TIP3 H1 7887 0.289 -3.023 -4.364 + 526TIP3 H2 7888 0.200 -2.967 -4.256 + 527TIP3 OH2 7889 0.104 -2.988 -4.075 + 527TIP3 H1 7890 0.160 -3.039 -4.015 + 527TIP3 H2 7891 0.125 -2.896 -4.049 + 528TIP3 OH2 7892 -0.209 -3.251 -4.043 + 528TIP3 H1 7893 -0.282 -3.215 -3.990 + 528TIP3 H2 7894 -0.159 -3.170 -4.064 + 529TIP3 OH2 7895 0.551 -4.004 -3.022 + 529TIP3 H1 7896 0.619 -3.982 -2.957 + 529TIP3 H2 7897 0.519 -4.091 -2.992 + 530TIP3 OH2 7898 0.640 -4.050 -3.923 + 530TIP3 H1 7899 0.656 -3.985 -3.993 + 530TIP3 H2 7900 0.670 -4.002 -3.844 + 531TIP3 OH2 7901 0.399 -2.827 -4.030 + 531TIP3 H1 7902 0.325 -2.772 -4.000 + 531TIP3 H2 7903 0.456 -2.761 -4.071 + 532TIP3 OH2 7904 0.364 -3.855 -3.805 + 532TIP3 H1 7905 0.438 -3.793 -3.788 + 532TIP3 H2 7906 0.327 -3.868 -3.716 + 533TIP3 OH2 7907 0.400 -3.759 -2.899 + 533TIP3 H1 7908 0.413 -3.711 -2.815 + 533TIP3 H2 7909 0.455 -3.837 -2.887 + 534TIP3 OH2 7910 0.440 -4.166 -3.714 + 534TIP3 H1 7911 0.409 -4.090 -3.662 + 534TIP3 H2 7912 0.496 -4.124 -3.782 + 535TIP3 OH2 7913 0.117 -2.706 -4.026 + 535TIP3 H1 7914 0.127 -2.621 -4.074 + 535TIP3 H2 7915 0.109 -2.677 -3.933 + 536TIP3 OH2 7916 -0.011 -4.035 -4.057 + 536TIP3 H1 7917 -0.008 -3.953 -4.003 + 536TIP3 H2 7918 0.075 -4.074 -4.030 + 537TIP3 OH2 7919 1.041 -3.963 -2.819 + 537TIP3 H1 7920 0.944 -3.952 -2.826 + 537TIP3 H2 7921 1.059 -3.990 -2.910 + 538TIP3 OH2 7922 0.882 -3.574 -3.410 + 538TIP3 H1 7923 0.798 -3.619 -3.434 + 538TIP3 H2 7924 0.930 -3.646 -3.362 + 539TIP3 OH2 7925 -0.166 -2.955 -4.178 + 539TIP3 H1 7926 -0.097 -2.915 -4.123 + 539TIP3 H2 7927 -0.112 -3.020 -4.227 + 540TIP3 OH2 7928 -0.336 -3.733 -4.271 + 540TIP3 H1 7929 -0.327 -3.644 -4.232 + 540TIP3 H2 7930 -0.431 -3.744 -4.282 + 541TIP3 OH2 7931 0.984 -2.690 -3.272 + 541TIP3 H1 7932 0.967 -2.606 -3.319 + 541TIP3 H2 7933 1.076 -2.677 -3.244 + 542TIP3 OH2 7934 -0.338 -4.243 -3.357 + 542TIP3 H1 7935 -0.294 -4.242 -3.443 + 542TIP3 H2 7936 -0.314 -4.333 -3.328 + 543TIP3 OH2 7937 -0.368 -2.888 -3.746 + 543TIP3 H1 7938 -0.446 -2.836 -3.724 + 543TIP3 H2 7939 -0.328 -2.835 -3.816 + 544TIP3 OH2 7940 -0.425 -2.599 -2.629 + 544TIP3 H1 7941 -0.368 -2.626 -2.555 + 544TIP3 H2 7942 -0.464 -2.684 -2.656 + 545TIP3 OH2 7943 0.036 -2.695 -2.449 + 545TIP3 H1 7944 0.112 -2.752 -2.428 + 545TIP3 H2 7945 0.021 -2.719 -2.542 + 546TIP3 OH2 7946 0.468 -2.757 -4.330 + 546TIP3 H1 7947 0.387 -2.811 -4.326 + 546TIP3 H2 7948 0.532 -2.826 -4.356 + 547TIP3 OH2 7949 0.691 -2.865 -2.592 + 547TIP3 H1 7950 0.654 -2.947 -2.554 + 547TIP3 H2 7951 0.761 -2.842 -2.528 + 548TIP3 OH2 7952 0.867 -2.822 4.283 + 548TIP3 H1 7953 0.856 -2.868 4.368 + 548TIP3 H2 7954 0.958 -2.791 4.285 + 549TIP3 OH2 7955 -0.429 -3.236 -2.515 + 549TIP3 H1 7956 -0.420 -3.326 -2.549 + 549TIP3 H2 7957 -0.506 -3.205 -2.566 + 550TIP3 OH2 7958 -0.047 -3.187 -4.311 + 550TIP3 H1 7959 -0.001 -3.244 -4.247 + 550TIP3 H2 7960 0.022 -3.175 -4.380 + 551TIP3 OH2 7961 0.228 -3.217 -2.581 + 551TIP3 H1 7962 0.204 -3.184 -2.669 + 551TIP3 H2 7963 0.240 -3.312 -2.596 + 552TIP3 OH2 7964 0.527 -3.075 -4.347 + 552TIP3 H1 7965 0.542 -3.065 -4.251 + 552TIP3 H2 7966 0.590 -3.145 -4.371 + 553TIP3 OH2 7967 0.769 -3.253 -2.844 + 553TIP3 H1 7968 0.849 -3.201 -2.862 + 553TIP3 H2 7969 0.701 -3.184 -2.846 + 554TIP3 OH2 7970 -0.343 -3.521 -2.601 + 554TIP3 H1 7971 -0.269 -3.585 -2.601 + 554TIP3 H2 7972 -0.350 -3.503 -2.506 + 555TIP3 OH2 7973 0.098 -3.386 -4.084 + 555TIP3 H1 7974 0.047 -3.439 -4.022 + 555TIP3 H2 7975 0.133 -3.454 -4.144 + 556TIP3 OH2 7976 0.017 -3.611 -2.861 + 556TIP3 H1 7977 -0.027 -3.529 -2.833 + 556TIP3 H2 7978 0.088 -3.577 -2.919 + 557TIP3 OH2 7979 0.215 -3.566 -4.281 + 557TIP3 H1 7980 0.225 -3.597 -4.373 + 557TIP3 H2 7981 0.309 -3.572 -4.252 + 558TIP3 OH2 7982 0.551 -3.338 -2.502 + 558TIP3 H1 7983 0.642 -3.356 -2.530 + 558TIP3 H2 7984 0.527 -3.421 -2.458 + 559TIP3 OH2 7985 0.079 -3.880 -2.745 + 559TIP3 H1 7986 0.089 -3.946 -2.816 + 559TIP3 H2 7987 0.061 -3.799 -2.796 + 560TIP3 OH2 7988 0.119 -4.036 -3.003 + 560TIP3 H1 7989 0.172 -3.983 -3.065 + 560TIP3 H2 7990 0.028 -4.025 -3.039 + 561TIP3 OH2 7991 0.265 -3.489 -2.956 + 561TIP3 H1 7992 0.351 -3.499 -3.001 + 561TIP3 H2 7993 0.239 -3.400 -2.986 + 562TIP3 OH2 7994 0.726 -3.694 -2.480 + 562TIP3 H1 7995 0.747 -3.787 -2.461 + 562TIP3 H2 7996 0.815 -3.655 -2.481 + 563TIP3 OH2 7997 0.824 -3.415 -2.630 + 563TIP3 H1 7998 0.790 -3.354 -2.698 + 563TIP3 H2 7999 0.914 -3.431 -2.666 + 564TIP3 OH2 8000 -0.099 -3.695 -2.564 + 564TIP3 H1 8001 -0.150 -3.778 -2.562 + 564TIP3 H2 8002 -0.017 -3.724 -2.607 + 565TIP3 OH2 8003 0.173 -4.276 -2.872 + 565TIP3 H1 8004 0.175 -4.188 -2.914 + 565TIP3 H2 8005 0.096 -4.315 -2.917 + 566TIP3 OH2 8006 0.314 -3.843 -2.585 + 566TIP3 H1 8007 0.284 -3.871 -2.497 + 566TIP3 H2 8008 0.234 -3.864 -2.637 + 567TIP3 OH2 8009 0.575 -3.944 -2.686 + 567TIP3 H1 8010 0.485 -3.931 -2.650 + 567TIP3 H2 8011 0.611 -4.010 -2.624 + 568TIP3 OH2 8012 0.747 -4.136 -2.517 + 568TIP3 H1 8013 0.729 -4.223 -2.479 + 568TIP3 H2 8014 0.731 -4.076 -2.442 + 569TIP3 OH2 8015 -0.220 -3.958 -2.575 + 569TIP3 H1 8016 -0.244 -4.020 -2.646 + 569TIP3 H2 8017 -0.263 -3.999 -2.498 + 570TIP3 OH2 8018 0.276 -4.146 -2.476 + 570TIP3 H1 8019 0.255 -4.229 -2.522 + 570TIP3 H2 8020 0.190 -4.100 -2.471 + 571TIP3 OH2 8021 0.177 -2.463 -4.174 + 571TIP3 H1 8022 0.273 -2.448 -4.161 + 571TIP3 H2 8023 0.154 -2.397 -4.241 + 572TIP3 OH2 8024 -0.434 -3.062 -4.185 + 572TIP3 H1 8025 -0.351 -3.013 -4.198 + 572TIP3 H2 8026 -0.467 -3.079 -4.275 + 573TIP3 OH2 8027 -0.534 -2.503 -3.721 + 573TIP3 H1 8028 -0.607 -2.537 -3.776 + 573TIP3 H2 8029 -0.530 -2.569 -3.650 + 574TIP3 OH2 8030 -0.497 -2.699 -3.520 + 574TIP3 H1 8031 -0.529 -2.785 -3.488 + 574TIP3 H2 8032 -0.464 -2.663 -3.437 + 575TIP3 OH2 8033 1.257 -2.578 -3.221 + 575TIP3 H1 8034 1.267 -2.569 -3.125 + 575TIP3 H2 8035 1.340 -2.539 -3.251 + 576TIP3 OH2 8036 1.243 -2.627 -2.931 + 576TIP3 H1 8037 1.194 -2.703 -2.967 + 576TIP3 H2 8038 1.301 -2.671 -2.867 + 577TIP3 OH2 8039 1.045 -3.085 -2.503 + 577TIP3 H1 8040 0.957 -3.077 -2.463 + 577TIP3 H2 8041 1.090 -3.005 -2.471 + 578TIP3 OH2 8042 1.185 -3.202 -3.930 + 578TIP3 H1 8043 1.275 -3.166 -3.916 + 578TIP3 H2 8044 1.180 -3.265 -3.856 + 579TIP3 OH2 8045 1.231 -3.402 -3.732 + 579TIP3 H1 8046 1.163 -3.456 -3.687 + 579TIP3 H2 8047 1.298 -3.388 -3.663 + 580TIP3 OH2 8048 1.203 -3.149 -3.234 + 580TIP3 H1 8049 1.266 -3.197 -3.289 + 580TIP3 H2 8050 1.217 -3.057 -3.264 + 581TIP3 OH2 8051 1.075 -2.858 -3.010 + 581TIP3 H1 8052 1.003 -2.817 -2.959 + 581TIP3 H2 8053 1.028 -2.894 -3.087 + 582TIP3 OH2 8054 1.258 -3.434 -4.109 + 582TIP3 H1 8055 1.196 -3.403 -4.176 + 582TIP3 H2 8056 1.241 -3.368 -4.039 + 583TIP3 OH2 8057 1.077 -3.696 -4.219 + 583TIP3 H1 8058 1.110 -3.621 -4.270 + 583TIP3 H2 8059 1.123 -3.770 -4.261 + 584TIP3 OH2 8060 1.025 -3.585 -3.650 + 584TIP3 H1 8061 1.016 -3.680 -3.667 + 584TIP3 H2 8062 0.986 -3.576 -3.560 + 585TIP3 OH2 8063 -0.471 -3.363 -3.322 + 585TIP3 H1 8064 -0.456 -3.426 -3.393 + 585TIP3 H2 8065 -0.401 -3.388 -3.259 + 586TIP3 OH2 8066 1.085 -3.393 -2.736 + 586TIP3 H1 8067 1.159 -3.455 -2.718 + 586TIP3 H2 8068 1.132 -3.310 -2.754 + 587TIP3 OH2 8069 1.241 -3.583 -2.616 + 587TIP3 H1 8070 1.161 -3.636 -2.638 + 587TIP3 H2 8071 1.310 -3.652 -2.616 + 588TIP3 OH2 8072 1.005 -4.028 -4.340 + 588TIP3 H1 8073 1.062 -4.043 -4.264 + 588TIP3 H2 8074 0.915 -4.045 -4.307 + 589TIP3 OH2 8075 1.002 -3.826 -3.837 + 589TIP3 H1 8076 1.021 -3.922 -3.828 + 589TIP3 H2 8077 1.087 -3.794 -3.871 + 590TIP3 OH2 8078 1.034 -3.773 -3.292 + 590TIP3 H1 8079 1.132 -3.768 -3.292 + 590TIP3 H2 8080 1.018 -3.777 -3.196 + 591TIP3 OH2 8081 1.049 -3.707 -3.006 + 591TIP3 H1 8082 0.964 -3.665 -2.980 + 591TIP3 H2 8083 1.103 -3.628 -3.028 + 592TIP3 OH2 8084 -0.505 -3.835 -2.626 + 592TIP3 H1 8085 -0.413 -3.859 -2.644 + 592TIP3 H2 8086 -0.549 -3.921 -2.630 + 593TIP3 OH2 8087 1.262 -4.281 -2.430 + 593TIP3 H1 8088 1.316 -4.357 -2.454 + 593TIP3 H2 8089 1.265 -4.220 -2.507 + 594TIP3 OH2 8090 1.037 -4.097 -3.824 + 594TIP3 H1 8091 1.056 -4.148 -3.744 + 594TIP3 H2 8092 0.976 -4.158 -3.869 + 595TIP3 OH2 8093 -0.427 -3.989 -3.357 + 595TIP3 H1 8094 -0.400 -4.083 -3.347 + 595TIP3 H2 8095 -0.343 -3.945 -3.333 + 596TIP3 OH2 8096 -0.567 -3.726 -3.259 + 596TIP3 H1 8097 -0.508 -3.737 -3.335 + 596TIP3 H2 8098 -0.527 -3.653 -3.211 + 597TIP3 OH2 8099 1.244 -4.113 -2.644 + 597TIP3 H1 8100 1.159 -4.065 -2.635 + 597TIP3 H2 8101 1.233 -4.147 -2.735 + 598TIP3 OH2 8102 1.257 -4.072 -4.174 + 598TIP3 H1 8103 1.281 -4.147 -4.230 + 598TIP3 H2 8104 1.338 -4.020 -4.171 + 599TIP3 OH2 8105 -0.516 -4.097 -3.850 + 599TIP3 H1 8106 -0.610 -4.095 -3.873 + 599TIP3 H2 8107 -0.476 -4.034 -3.912 + 600TIP3 OH2 8108 0.942 -2.571 -3.642 + 600TIP3 H1 8109 0.993 -2.597 -3.720 + 600TIP3 H2 8110 1.010 -2.531 -3.586 + 601TIP3 OH2 8111 -0.541 -4.125 -3.000 + 601TIP3 H1 8112 -0.540 -4.218 -2.971 + 601TIP3 H2 8113 -0.554 -4.137 -3.095 + 602TIP3 OH2 8114 -0.316 -2.901 -2.565 + 602TIP3 H1 8115 -0.387 -2.899 -2.631 + 602TIP3 H2 8116 -0.364 -2.895 -2.482 + 603TIP3 OH2 8117 -0.031 -2.800 -3.001 + 603TIP3 H1 8118 -0.062 -2.714 -3.034 + 603TIP3 H2 8119 0.065 -2.789 -3.017 + 604TIP3 OH2 8120 0.419 -2.668 -2.698 + 604TIP3 H1 8121 0.435 -2.685 -2.604 + 604TIP3 H2 8122 0.502 -2.623 -2.724 + 605TIP3 OH2 8123 0.647 -2.523 -2.775 + 605TIP3 H1 8124 0.717 -2.586 -2.797 + 605TIP3 H2 8125 0.678 -2.490 -2.688 + 606TIP3 OH2 8126 1.108 -4.276 -2.854 + 606TIP3 H1 8127 1.056 -4.215 -2.909 + 606TIP3 H2 8128 1.126 -4.345 -2.920 + 607TIP3 OH2 8129 -0.296 -2.505 -2.966 + 607TIP3 H1 8130 -0.354 -2.440 -3.010 + 607TIP3 H2 8131 -0.327 -2.497 -2.875 + 608TIP3 OH2 8132 -0.046 -2.526 -3.112 + 608TIP3 H1 8133 -0.130 -2.505 -3.068 + 608TIP3 H2 8134 -0.040 -2.456 -3.180 + 609TIP3 OH2 8135 0.428 -2.526 -3.155 + 609TIP3 H1 8136 0.394 -2.479 -3.233 + 609TIP3 H2 8137 0.439 -2.452 -3.092 + 610TIP3 OH2 8138 0.664 -2.654 -3.064 + 610TIP3 H1 8139 0.580 -2.617 -3.096 + 610TIP3 H2 8140 0.721 -2.576 -3.064 + 611TIP3 OH2 8141 0.915 -2.482 -3.043 + 611TIP3 H1 8142 0.914 -2.386 -3.062 + 611TIP3 H2 8143 0.946 -2.516 -3.129 + 612TIP3 OH2 8144 -0.337 -2.624 -3.273 + 612TIP3 H1 8145 -0.338 -2.671 -3.186 + 612TIP3 H2 8146 -0.259 -2.666 -3.315 + 613TIP3 OH2 8147 -0.135 -2.752 -3.425 + 613TIP3 H1 8148 -0.147 -2.847 -3.401 + 613TIP3 H2 8149 -0.043 -2.735 -3.394 + 614TIP3 OH2 8150 0.139 -2.702 -3.339 + 614TIP3 H1 8151 0.162 -2.794 -3.361 + 614TIP3 H2 8152 0.149 -2.703 -3.243 + 615TIP3 OH2 8153 0.476 -4.115 -3.412 + 615TIP3 H1 8154 0.416 -4.183 -3.378 + 615TIP3 H2 8155 0.530 -4.166 -3.474 + 616TIP3 OH2 8156 0.994 -4.326 -3.360 + 616TIP3 H1 8157 1.054 -4.291 -3.428 + 616TIP3 H2 8158 0.907 -4.317 -3.402 + 617TIP3 OH2 8159 1.205 -4.228 -3.579 + 617TIP3 H1 8160 1.246 -4.245 -3.665 + 617TIP3 H2 8161 1.211 -4.132 -3.570 + 618TIP3 OH2 8162 -0.296 -4.281 -3.683 + 618TIP3 H1 8163 -0.386 -4.312 -3.699 + 618TIP3 H2 8164 -0.253 -4.359 -3.647 + 619TIP3 OH2 8165 -0.434 -4.282 -4.067 + 619TIP3 H1 8166 -0.382 -4.232 -4.133 + 619TIP3 H2 8167 -0.467 -4.211 -4.010 + 620TIP3 OH2 8168 0.171 -4.275 -3.674 + 620TIP3 H1 8169 0.259 -4.234 -3.672 + 620TIP3 H2 8170 0.150 -4.285 -3.581 + 621TIP3 OH2 8171 0.730 -4.272 -3.517 + 621TIP3 H1 8172 0.722 -4.270 -3.613 + 621TIP3 H2 8173 0.686 -4.359 -3.498 + 622TIP3 OH2 8174 0.826 -4.274 -3.932 + 622TIP3 H1 8175 0.748 -4.216 -3.946 + 622TIP3 H2 8176 0.785 -4.356 -3.900 + 623TIP3 OH2 8177 -0.401 -2.697 -3.966 + 623TIP3 H1 8178 -0.475 -2.697 -4.030 + 623TIP3 H2 8179 -0.402 -2.604 -3.940 + 624TIP3 OH2 8180 -0.238 -4.120 -4.222 + 624TIP3 H1 8181 -0.175 -4.163 -4.281 + 624TIP3 H2 8182 -0.178 -4.063 -4.170 + 625TIP3 OH2 8183 0.275 -4.058 -3.984 + 625TIP3 H1 8184 0.294 -4.144 -3.942 + 625TIP3 H2 8185 0.300 -3.994 -3.914 + 626TIP3 OH2 8186 0.460 -2.530 -4.146 + 626TIP3 H1 8187 0.557 -2.515 -4.137 + 626TIP3 H2 8188 0.460 -2.591 -4.222 + 627TIP3 OH2 8189 1.138 -2.613 -3.884 + 627TIP3 H1 8190 1.108 -2.696 -3.927 + 627TIP3 H2 8191 1.115 -2.546 -3.951 + 628TIP3 OH2 8192 -0.330 -4.177 -2.732 + 628TIP3 H1 8193 -0.376 -4.256 -2.700 + 628TIP3 H2 8194 -0.242 -4.216 -2.745 + 629TIP3 OH2 8195 -0.038 -4.278 -2.467 + 629TIP3 H1 8196 0.049 -4.304 -2.506 + 629TIP3 H2 8197 -0.063 -4.358 -2.420 + 630TIP3 OH2 8198 -0.207 -2.589 -4.231 + 630TIP3 H1 8199 -0.245 -2.561 -4.147 + 630TIP3 H2 8200 -0.136 -2.648 -4.205 + 631TIP3 OH2 8201 1.077 -2.734 -2.641 + 631TIP3 H1 8202 1.003 -2.752 -2.701 + 631TIP3 H2 8203 1.061 -2.640 -2.621 + 632TIP3 OH2 8204 2.497 -3.368 -3.628 + 632TIP3 H1 8205 2.497 -3.272 -3.614 + 632TIP3 H2 8206 2.418 -3.379 -3.683 + 633TIP3 OH2 8207 2.382 -3.422 -3.321 + 633TIP3 H1 8208 2.381 -3.477 -3.240 + 633TIP3 H2 8209 2.353 -3.486 -3.388 + 634TIP3 OH2 8210 1.631 -3.464 -3.154 + 634TIP3 H1 8211 1.628 -3.539 -3.091 + 634TIP3 H2 8212 1.699 -3.409 -3.113 + 635TIP3 OH2 8213 2.748 -3.149 -3.488 + 635TIP3 H1 8214 2.713 -3.219 -3.432 + 635TIP3 H2 8215 2.782 -3.087 -3.422 + 636TIP3 OH2 8216 1.696 -2.998 -3.306 + 636TIP3 H1 8217 1.671 -3.091 -3.329 + 636TIP3 H2 8218 1.788 -3.013 -3.279 + 637TIP3 OH2 8219 1.397 -3.659 -3.765 + 637TIP3 H1 8220 1.354 -3.573 -3.751 + 637TIP3 H2 8221 1.324 -3.711 -3.802 + 638TIP3 OH2 8222 1.476 -3.414 -3.579 + 638TIP3 H1 8223 1.490 -3.497 -3.529 + 638TIP3 H2 8224 1.560 -3.405 -3.625 + 639TIP3 OH2 8225 2.456 -2.612 -3.432 + 639TIP3 H1 8226 2.514 -2.684 -3.464 + 639TIP3 H2 8227 2.428 -2.646 -3.346 + 640TIP3 OH2 8228 2.231 -3.171 -3.265 + 640TIP3 H1 8229 2.264 -3.244 -3.320 + 640TIP3 H2 8230 2.311 -3.155 -3.212 + 641TIP3 OH2 8231 3.086 -4.017 -3.207 + 641TIP3 H1 8232 3.119 -3.972 -3.128 + 641TIP3 H2 8233 3.151 -3.987 -3.273 + 642TIP3 OH2 8234 2.559 -3.740 -3.211 + 642TIP3 H1 8235 2.579 -3.836 -3.210 + 642TIP3 H2 8236 2.550 -3.724 -3.307 + 643TIP3 OH2 8237 1.856 -3.941 -3.503 + 643TIP3 H1 8238 1.871 -3.856 -3.548 + 643TIP3 H2 8239 1.821 -3.994 -3.577 + 644TIP3 OH2 8240 2.644 -3.924 -3.672 + 644TIP3 H1 8241 2.703 -3.967 -3.607 + 644TIP3 H2 8242 2.708 -3.878 -3.728 + 645TIP3 OH2 8243 1.528 -3.661 -3.455 + 645TIP3 H1 8244 1.586 -3.711 -3.396 + 645TIP3 H2 8245 1.533 -3.713 -3.537 + 646TIP3 OH2 8246 2.066 -3.525 -3.510 + 646TIP3 H1 8247 2.135 -3.580 -3.469 + 646TIP3 H2 8248 2.014 -3.592 -3.558 + 647TIP3 OH2 8249 3.180 -3.848 -2.941 + 647TIP3 H1 8250 3.105 -3.796 -2.976 + 647TIP3 H2 8251 3.141 -3.889 -2.864 + 648TIP3 OH2 8252 1.737 -4.056 -3.087 + 648TIP3 H1 8253 1.702 -4.001 -3.159 + 648TIP3 H2 8254 1.670 -4.037 -3.018 + 649TIP3 OH2 8255 2.486 -3.083 -3.750 + 649TIP3 H1 8256 2.452 -3.104 -3.838 + 649TIP3 H2 8257 2.443 -2.998 -3.731 + 650TIP3 OH2 8258 2.031 -3.270 -3.077 + 650TIP3 H1 8259 1.957 -3.211 -3.050 + 650TIP3 H2 8260 2.092 -3.207 -3.119 + 651TIP3 OH2 8261 2.833 -4.013 -3.467 + 651TIP3 H1 8262 2.785 -4.060 -3.398 + 651TIP3 H2 8263 2.885 -3.950 -3.415 + 652TIP3 OH2 8264 1.698 -3.855 -3.293 + 652TIP3 H1 8265 1.760 -3.795 -3.249 + 652TIP3 H2 8266 1.755 -3.890 -3.365 + 653TIP3 OH2 8267 1.829 -3.083 -3.006 + 653TIP3 H1 8268 1.826 -2.990 -3.033 + 653TIP3 H2 8269 1.743 -3.089 -2.960 + 654TIP3 OH2 8270 1.462 -3.112 -3.919 + 654TIP3 H1 8271 1.440 -3.069 -4.003 + 654TIP3 H2 8272 1.476 -3.038 -3.857 + 655TIP3 OH2 8273 2.805 -2.967 -3.239 + 655TIP3 H1 8274 2.709 -2.953 -3.237 + 655TIP3 H2 8275 2.836 -2.882 -3.275 + 656TIP3 OH2 8276 2.849 -4.110 -3.066 + 656TIP3 H1 8277 2.768 -4.078 -3.109 + 656TIP3 H2 8278 2.915 -4.097 -3.136 + 657TIP3 OH2 8279 2.159 4.381 -3.365 + 657TIP3 H1 8280 2.154 4.286 -3.353 + 657TIP3 H2 8281 2.072 4.413 -3.332 + 658TIP3 OH2 8282 2.636 -2.772 -3.584 + 658TIP3 H1 8283 2.684 -2.852 -3.614 + 658TIP3 H2 8284 2.706 -2.705 -3.592 + 659TIP3 OH2 8285 2.779 -2.985 -3.719 + 659TIP3 H1 8286 2.730 -3.033 -3.787 + 659TIP3 H2 8287 2.777 -3.050 -3.646 + 660TIP3 OH2 8288 2.934 -3.105 -2.871 + 660TIP3 H1 8289 2.925 -3.170 -2.943 + 660TIP3 H2 8290 2.949 -3.022 -2.920 + 661TIP3 OH2 8291 2.364 -3.420 -3.907 + 661TIP3 H1 8292 2.298 -3.355 -3.938 + 661TIP3 H2 8293 2.437 -3.405 -3.968 + 662TIP3 OH2 8294 2.385 -3.590 -4.213 + 662TIP3 H1 8295 2.448 -3.562 -4.145 + 662TIP3 H2 8296 2.441 -3.652 -4.265 + 663TIP3 OH2 8297 3.110 -3.489 -3.077 + 663TIP3 H1 8298 3.039 -3.422 -3.069 + 663TIP3 H2 8299 3.160 -3.454 -3.154 + 664TIP3 OH2 8300 2.711 -3.417 -3.795 + 664TIP3 H1 8301 2.644 -3.395 -3.727 + 664TIP3 H2 8302 2.774 -3.470 -3.742 + 665TIP3 OH2 8303 2.697 -3.562 -2.910 + 665TIP3 H1 8304 2.703 -3.481 -2.857 + 665TIP3 H2 8305 2.632 -3.532 -2.976 + 666TIP3 OH2 8306 1.873 -3.337 -3.617 + 666TIP3 H1 8307 1.842 -3.381 -3.698 + 666TIP3 H2 8308 1.937 -3.402 -3.582 + 667TIP3 OH2 8309 2.010 -2.995 -3.343 + 667TIP3 H1 8310 1.998 -3.038 -3.429 + 667TIP3 H2 8311 2.088 -3.042 -3.309 + 668TIP3 OH2 8312 1.933 -3.458 -3.267 + 668TIP3 H1 8313 1.990 -3.452 -3.345 + 668TIP3 H2 8314 1.970 -3.389 -3.208 + 669TIP3 OH2 8315 2.523 -2.902 -3.208 + 669TIP3 H1 8316 2.530 -2.838 -3.135 + 669TIP3 H2 8317 2.503 -2.986 -3.163 + 670TIP3 OH2 8318 2.015 -3.025 -2.784 + 670TIP3 H1 8319 1.964 -2.958 -2.734 + 670TIP3 H2 8320 1.950 -3.050 -2.852 + 671TIP3 OH2 8321 2.622 -3.469 -4.057 + 671TIP3 H1 8322 2.661 -3.443 -3.971 + 671TIP3 H2 8323 2.684 -3.425 -4.119 + 672TIP3 OH2 8324 1.709 -3.385 -2.872 + 672TIP3 H1 8325 1.714 -3.327 -2.793 + 672TIP3 H2 8326 1.612 -3.398 -2.879 + 673TIP3 OH2 8327 2.351 -2.810 -3.694 + 673TIP3 H1 8328 2.404 -2.784 -3.618 + 673TIP3 H2 8329 2.305 -2.728 -3.718 + 674TIP3 OH2 8330 1.826 -2.809 -2.702 + 674TIP3 H1 8331 1.812 -2.804 -2.798 + 674TIP3 H2 8332 1.737 -2.833 -2.668 + 675TIP3 OH2 8333 2.940 -4.335 -4.128 + 675TIP3 H1 8334 2.892 -4.332 -4.043 + 675TIP3 H2 8335 3.006 -4.266 -4.112 + 676TIP3 OH2 8336 1.767 -3.464 -3.865 + 676TIP3 H1 8337 1.741 -3.387 -3.919 + 676TIP3 H2 8338 1.697 -3.527 -3.885 + 677TIP3 OH2 8339 3.069 -2.882 -4.246 + 677TIP3 H1 8340 3.095 -2.794 -4.217 + 677TIP3 H2 8341 3.151 -2.933 -4.237 + 678TIP3 OH2 8342 1.371 -3.196 -2.990 + 678TIP3 H1 8343 1.326 -3.197 -3.077 + 678TIP3 H2 8344 1.383 -3.291 -2.972 + 679TIP3 OH2 8345 1.376 -2.902 -3.298 + 679TIP3 H1 8346 1.468 -2.932 -3.290 + 679TIP3 H2 8347 1.369 -2.842 -3.222 + 680TIP3 OH2 8348 3.215 -2.840 -2.719 + 680TIP3 H1 8349 3.206 -2.934 -2.741 + 680TIP3 H2 8350 3.123 -2.819 -2.690 + 681TIP3 OH2 8351 2.279 -2.920 -2.840 + 681TIP3 H1 8352 2.287 -2.838 -2.787 + 681TIP3 H2 8353 2.189 -2.950 -2.816 + 682TIP3 OH2 8354 2.309 -2.539 -3.846 + 682TIP3 H1 8355 2.308 -2.528 -3.943 + 682TIP3 H2 8356 2.316 -2.448 -3.814 + 683TIP3 OH2 8357 1.687 -2.625 -3.680 + 683TIP3 H1 8358 1.705 -2.669 -3.594 + 683TIP3 H2 8359 1.603 -2.666 -3.703 + 684TIP3 OH2 8360 2.619 -2.567 -4.107 + 684TIP3 H1 8361 2.673 -2.608 -4.175 + 684TIP3 H2 8362 2.627 -2.628 -4.031 + 685TIP3 OH2 8363 2.581 -2.665 -3.853 + 685TIP3 H1 8364 2.489 -2.642 -3.831 + 685TIP3 H2 8365 2.602 -2.726 -3.781 + 686TIP3 OH2 8366 2.894 -3.709 -2.679 + 686TIP3 H1 8367 2.842 -3.668 -2.750 + 686TIP3 H2 8368 2.900 -3.801 -2.711 + 687TIP3 OH2 8369 1.590 -3.042 -2.867 + 687TIP3 H1 8370 1.617 -3.087 -2.784 + 687TIP3 H2 8371 1.516 -3.096 -2.898 + 688TIP3 OH2 8372 1.912 -4.219 -3.274 + 688TIP3 H1 8373 1.830 -4.246 -3.318 + 688TIP3 H2 8374 1.883 -4.137 -3.231 + 689TIP3 OH2 8375 2.367 -4.262 -2.916 + 689TIP3 H1 8376 2.384 -4.310 -2.834 + 689TIP3 H2 8377 2.272 -4.277 -2.927 + 690TIP3 OH2 8378 2.665 -3.863 -2.873 + 690TIP3 H1 8379 2.604 -3.874 -2.797 + 690TIP3 H2 8380 2.658 -3.768 -2.892 + 691TIP3 OH2 8381 2.836 -3.385 -4.252 + 691TIP3 H1 8382 2.800 -3.396 -4.341 + 691TIP3 H2 8383 2.876 -3.297 -4.261 + 692TIP3 OH2 8384 2.328 -3.998 -4.214 + 692TIP3 H1 8385 2.273 -3.995 -4.133 + 692TIP3 H2 8386 2.278 -4.063 -4.264 + 693TIP3 OH2 8387 1.895 -3.716 -3.147 + 693TIP3 H1 8388 1.836 -3.704 -3.072 + 693TIP3 H2 8389 1.902 -3.624 -3.183 + 694TIP3 OH2 8390 1.889 -3.708 -3.659 + 694TIP3 H1 8391 1.793 -3.719 -3.674 + 694TIP3 H2 8392 1.923 -3.727 -3.749 + 695TIP3 OH2 8393 2.456 -3.655 -3.786 + 695TIP3 H1 8394 2.416 -3.570 -3.817 + 695TIP3 H2 8395 2.522 -3.671 -3.857 + 696TIP3 OH2 8396 2.370 -3.633 -2.650 + 696TIP3 H1 8397 2.318 -3.705 -2.611 + 696TIP3 H2 8398 2.456 -3.643 -2.605 + 697TIP3 OH2 8399 2.536 -3.712 -3.505 + 697TIP3 H1 8400 2.508 -3.653 -3.578 + 697TIP3 H2 8401 2.556 -3.793 -3.556 + 698TIP3 OH2 8402 1.633 -3.697 -2.966 + 698TIP3 H1 8403 1.656 -3.668 -2.877 + 698TIP3 H2 8404 1.592 -3.784 -2.947 + 699TIP3 OH2 8405 2.005 -3.958 -4.315 + 699TIP3 H1 8406 1.973 -3.985 -4.227 + 699TIP3 H2 8407 1.928 -3.906 -4.347 + 700TIP3 OH2 8408 1.316 -3.946 -3.605 + 700TIP3 H1 8409 1.368 -3.957 -3.523 + 700TIP3 H2 8410 1.365 -3.997 -3.670 + 701TIP3 OH2 8411 1.469 -3.911 -4.039 + 701TIP3 H1 8412 1.526 -3.860 -4.100 + 701TIP3 H2 8413 1.402 -3.844 -4.015 + 702TIP3 OH2 8414 2.445 -3.543 -3.059 + 702TIP3 H1 8415 2.489 -3.616 -3.108 + 702TIP3 H2 8416 2.412 -3.589 -2.981 + 703TIP3 OH2 8417 2.166 -3.944 -3.561 + 703TIP3 H1 8418 2.072 -3.957 -3.539 + 703TIP3 H2 8419 2.210 -3.971 -3.479 + 704TIP3 OH2 8420 1.627 -3.826 -3.693 + 704TIP3 H1 8421 1.542 -3.801 -3.732 + 704TIP3 H2 8422 1.650 -3.909 -3.738 + 705TIP3 OH2 8423 1.984 -3.788 -3.923 + 705TIP3 H1 8424 2.080 -3.782 -3.917 + 705TIP3 H2 8425 1.960 -3.728 -3.995 + 706TIP3 OH2 8426 2.601 -4.033 -3.256 + 706TIP3 H1 8427 2.538 -4.035 -3.181 + 706TIP3 H2 8428 2.542 -4.064 -3.327 + 707TIP3 OH2 8429 1.843 -3.673 -4.158 + 707TIP3 H1 8430 1.780 -3.721 -4.213 + 707TIP3 H2 8431 1.917 -3.657 -4.218 + 708TIP3 OH2 8432 2.902 -2.448 -2.587 + 708TIP3 H1 8433 2.935 -2.422 -2.675 + 708TIP3 H2 8434 2.978 -2.429 -2.529 + 709TIP3 OH2 8435 1.697 -3.195 -2.647 + 709TIP3 H1 8436 1.764 -3.186 -2.576 + 709TIP3 H2 8437 1.616 -3.197 -2.592 + 710TIP3 OH2 8438 2.268 -3.694 -3.375 + 710TIP3 H1 8439 2.341 -3.738 -3.421 + 710TIP3 H2 8440 2.251 -3.755 -3.301 + 711TIP3 OH2 8441 1.783 -4.067 -3.758 + 711TIP3 H1 8442 1.735 -4.151 -3.744 + 711TIP3 H2 8443 1.870 -4.098 -3.786 + 712TIP3 OH2 8444 2.165 -3.848 -3.149 + 712TIP3 H1 8445 2.088 -3.788 -3.149 + 712TIP3 H2 8446 2.214 -3.821 -3.068 + 713TIP3 OH2 8447 2.182 -3.212 -3.960 + 713TIP3 H1 8448 2.104 -3.260 -3.994 + 713TIP3 H2 8449 2.161 -3.204 -3.864 + 714TIP3 OH2 8450 2.902 -3.294 -3.087 + 714TIP3 H1 8451 2.952 -3.239 -3.151 + 714TIP3 H2 8452 2.816 -3.304 -3.133 + 715TIP3 OH2 8453 2.595 -3.924 -4.197 + 715TIP3 H1 8454 2.498 -3.936 -4.186 + 715TIP3 H2 8455 2.618 -3.859 -4.128 + 716TIP3 OH2 8456 2.344 -3.208 -2.828 + 716TIP3 H1 8457 2.314 -3.241 -2.742 + 716TIP3 H2 8458 2.312 -3.116 -2.828 + 717TIP3 OH2 8459 2.657 -3.751 -3.991 + 717TIP3 H1 8460 2.742 -3.766 -3.944 + 717TIP3 H2 8461 2.670 -3.661 -4.028 + 718TIP3 OH2 8462 1.694 -3.270 -3.378 + 718TIP3 H1 8463 1.749 -3.282 -3.457 + 718TIP3 H2 8464 1.702 -3.356 -3.334 + 719TIP3 OH2 8465 2.424 -3.075 -4.070 + 719TIP3 H1 8466 2.396 -2.987 -4.038 + 719TIP3 H2 8467 2.347 -3.129 -4.042 + 720TIP3 OH2 8468 1.419 -3.444 -2.852 + 720TIP3 H1 8469 1.434 -3.487 -2.766 + 720TIP3 H2 8470 1.358 -3.505 -2.897 + 721TIP3 OH2 8471 2.116 -3.493 -2.653 + 721TIP3 H1 8472 2.080 -3.518 -2.740 + 721TIP3 H2 8473 2.209 -3.519 -2.664 + 722TIP3 OH2 8474 2.573 -2.938 -2.882 + 722TIP3 H1 8475 2.476 -2.939 -2.888 + 722TIP3 H2 8476 2.587 -2.922 -2.787 + 723TIP3 OH2 8477 3.128 -3.737 -4.001 + 723TIP3 H1 8478 3.062 -3.754 -4.071 + 723TIP3 H2 8479 3.140 -3.642 -4.016 + 724TIP3 OH2 8480 3.168 -3.142 -2.723 + 724TIP3 H1 8481 3.074 -3.119 -2.743 + 724TIP3 H2 8482 3.201 -3.158 -2.814 + 725TIP3 OH2 8483 2.939 -2.883 -3.994 + 725TIP3 H1 8484 2.928 -2.960 -3.937 + 725TIP3 H2 8485 2.985 -2.920 -4.071 + 726TIP3 OH2 8486 2.667 -3.350 -3.256 + 726TIP3 H1 8487 2.574 -3.366 -3.280 + 726TIP3 H2 8488 2.711 -3.422 -3.305 + 727TIP3 OH2 8489 1.931 -2.943 -3.657 + 727TIP3 H1 8490 1.972 -2.856 -3.665 + 727TIP3 H2 8491 1.838 -2.923 -3.673 + 728TIP3 OH2 8492 1.538 -3.451 -4.199 + 728TIP3 H1 8493 1.592 -3.385 -4.152 + 728TIP3 H2 8494 1.448 -3.431 -4.168 + 729TIP3 OH2 8495 2.113 -3.173 -3.693 + 729TIP3 H1 8496 2.083 -3.082 -3.676 + 729TIP3 H2 8497 2.044 -3.224 -3.648 + 730TIP3 OH2 8498 2.131 -2.747 -3.056 + 730TIP3 H1 8499 2.187 -2.672 -3.082 + 730TIP3 H2 8500 2.191 -2.796 -2.997 + 731TIP3 OH2 8501 1.975 -2.652 -3.735 + 731TIP3 H1 8502 1.879 -2.639 -3.724 + 731TIP3 H2 8503 2.009 -2.565 -3.708 + 732TIP3 OH2 8504 2.471 -3.171 -3.098 + 732TIP3 H1 8505 2.442 -3.200 -3.010 + 732TIP3 H2 8506 2.545 -3.232 -3.115 + 733TIP3 OH2 8507 2.684 -3.043 -4.200 + 733TIP3 H1 8508 2.739 -3.075 -4.126 + 733TIP3 H2 8509 2.597 -3.053 -4.158 + 734TIP3 OH2 8510 2.768 -2.710 -2.864 + 734TIP3 H1 8511 2.693 -2.762 -2.899 + 734TIP3 H2 8512 2.768 -2.633 -2.921 + 735TIP3 OH2 8513 3.174 -2.597 -4.161 + 735TIP3 H1 8514 3.248 -2.535 -4.140 + 735TIP3 H2 8515 3.097 -2.542 -4.137 + 736TIP3 OH2 8516 1.552 -3.961 -2.893 + 736TIP3 H1 8517 1.461 -3.943 -2.924 + 736TIP3 H2 8518 1.536 -4.047 -2.849 + 737TIP3 OH2 8519 2.785 -3.186 -3.970 + 737TIP3 H1 8520 2.760 -3.254 -3.905 + 737TIP3 H2 8521 2.882 -3.184 -3.961 + 738TIP3 OH2 8522 1.528 -2.804 -3.053 + 738TIP3 H1 8523 1.557 -2.894 -3.030 + 738TIP3 H2 8524 1.544 -2.759 -2.969 + 739TIP3 OH2 8525 2.135 -2.940 -4.328 + 739TIP3 H1 8526 2.174 -3.025 -4.354 + 739TIP3 H2 8527 2.082 -2.967 -4.250 + 740TIP3 OH2 8528 1.993 -2.984 -4.076 + 740TIP3 H1 8529 2.043 -3.037 -4.012 + 740TIP3 H2 8530 2.013 -2.893 -4.049 + 741TIP3 OH2 8531 1.679 -3.248 -4.037 + 741TIP3 H1 8532 1.603 -3.207 -3.989 + 741TIP3 H2 8533 1.725 -3.168 -4.067 + 742TIP3 OH2 8534 2.443 -4.009 -3.027 + 742TIP3 H1 8535 2.504 -3.981 -2.958 + 742TIP3 H2 8536 2.405 -4.091 -2.993 + 743TIP3 OH2 8537 2.524 -4.050 -3.923 + 743TIP3 H1 8538 2.538 -3.984 -3.992 + 743TIP3 H2 8539 2.557 -4.003 -3.845 + 744TIP3 OH2 8540 2.287 -2.827 -4.029 + 744TIP3 H1 8541 2.210 -2.774 -4.001 + 744TIP3 H2 8542 2.340 -2.760 -4.074 + 745TIP3 OH2 8543 2.254 -3.850 -3.812 + 745TIP3 H1 8544 2.329 -3.789 -3.797 + 745TIP3 H2 8545 2.223 -3.866 -3.721 + 746TIP3 OH2 8546 2.288 -3.761 -2.901 + 746TIP3 H1 8547 2.295 -3.709 -2.818 + 746TIP3 H2 8548 2.345 -3.837 -2.881 + 747TIP3 OH2 8549 2.330 -4.171 -3.712 + 747TIP3 H1 8550 2.295 -4.096 -3.661 + 747TIP3 H2 8551 2.381 -4.126 -3.781 + 748TIP3 OH2 8552 2.007 -2.707 -4.025 + 748TIP3 H1 8553 2.012 -2.621 -4.072 + 748TIP3 H2 8554 1.994 -2.679 -3.932 + 749TIP3 OH2 8555 1.882 -4.043 -4.076 + 749TIP3 H1 8556 1.875 -3.968 -4.016 + 749TIP3 H2 8557 1.965 -4.083 -4.044 + 750TIP3 OH2 8558 2.926 -3.964 -2.818 + 750TIP3 H1 8559 2.829 -3.952 -2.827 + 750TIP3 H2 8560 2.946 -3.988 -2.909 + 751TIP3 OH2 8561 2.767 -3.574 -3.409 + 751TIP3 H1 8562 2.685 -3.620 -3.435 + 751TIP3 H2 8563 2.816 -3.645 -3.362 + 752TIP3 OH2 8564 1.719 -2.950 -4.157 + 752TIP3 H1 8565 1.802 -2.922 -4.113 + 752TIP3 H2 8566 1.756 -3.002 -4.230 + 753TIP3 OH2 8567 1.547 -3.734 -4.257 + 753TIP3 H1 8568 1.558 -3.638 -4.239 + 753TIP3 H2 8569 1.455 -3.736 -4.289 + 754TIP3 OH2 8570 2.864 -2.678 -3.252 + 754TIP3 H1 8571 2.850 -2.603 -3.312 + 754TIP3 H2 8572 2.960 -2.673 -3.239 + 755TIP3 OH2 8573 1.551 -4.241 -3.353 + 755TIP3 H1 8574 1.591 -4.245 -3.440 + 755TIP3 H2 8575 1.568 -4.332 -3.323 + 756TIP3 OH2 8576 1.519 -2.886 -3.747 + 756TIP3 H1 8577 1.440 -2.836 -3.724 + 756TIP3 H2 8578 1.556 -2.835 -3.820 + 757TIP3 OH2 8579 1.458 -2.596 -2.625 + 757TIP3 H1 8580 1.515 -2.624 -2.551 + 757TIP3 H2 8581 1.419 -2.681 -2.653 + 758TIP3 OH2 8582 1.928 -2.692 -2.451 + 758TIP3 H1 8583 1.998 -2.755 -2.428 + 758TIP3 H2 8584 1.906 -2.719 -2.542 + 759TIP3 OH2 8585 2.353 -2.756 -4.330 + 759TIP3 H1 8586 2.273 -2.812 -4.325 + 759TIP3 H2 8587 2.419 -2.822 -4.356 + 760TIP3 OH2 8588 2.581 -2.867 -2.595 + 760TIP3 H1 8589 2.538 -2.945 -2.555 + 760TIP3 H2 8590 2.646 -2.843 -2.527 + 761TIP3 OH2 8591 2.707 -2.817 4.312 + 761TIP3 H1 8592 2.706 -2.891 4.374 + 761TIP3 H2 8593 2.796 -2.821 4.276 + 762TIP3 OH2 8594 1.456 -3.235 -2.517 + 762TIP3 H1 8595 1.464 -3.326 -2.550 + 762TIP3 H2 8596 1.378 -3.204 -2.567 + 763TIP3 OH2 8597 1.881 -3.180 -4.308 + 763TIP3 H1 8598 1.898 -3.245 -4.239 + 763TIP3 H2 8599 1.954 -3.194 -4.370 + 764TIP3 OH2 8600 2.121 -3.216 -2.583 + 764TIP3 H1 8601 2.087 -3.183 -2.668 + 764TIP3 H2 8602 2.125 -3.312 -2.598 + 765TIP3 OH2 8603 2.410 -3.077 -4.347 + 765TIP3 H1 8604 2.425 -3.062 -4.252 + 765TIP3 H2 8605 2.476 -3.144 -4.368 + 766TIP3 OH2 8606 2.656 -3.254 -2.844 + 766TIP3 H1 8607 2.733 -3.199 -2.863 + 766TIP3 H2 8608 2.585 -3.188 -2.843 + 767TIP3 OH2 8609 1.542 -3.522 -2.600 + 767TIP3 H1 8610 1.615 -3.586 -2.597 + 767TIP3 H2 8611 1.536 -3.499 -2.506 + 768TIP3 OH2 8612 1.984 -3.384 -4.091 + 768TIP3 H1 8613 1.922 -3.428 -4.030 + 768TIP3 H2 8614 2.018 -3.459 -4.143 + 769TIP3 OH2 8615 1.908 -3.609 -2.855 + 769TIP3 H1 8616 1.853 -3.531 -2.836 + 769TIP3 H2 8617 1.972 -3.572 -2.919 + 770TIP3 OH2 8618 2.103 -3.575 -4.273 + 770TIP3 H1 8619 2.106 -3.598 -4.367 + 770TIP3 H2 8620 2.199 -3.577 -4.251 + 771TIP3 OH2 8621 2.437 -3.338 -2.502 + 771TIP3 H1 8622 2.528 -3.356 -2.530 + 771TIP3 H2 8623 2.413 -3.421 -2.459 + 772TIP3 OH2 8624 1.967 -3.878 -2.746 + 772TIP3 H1 8625 1.974 -3.944 -2.817 + 772TIP3 H2 8626 1.945 -3.797 -2.795 + 773TIP3 OH2 8627 2.005 -4.038 -3.003 + 773TIP3 H1 8628 2.056 -3.982 -3.064 + 773TIP3 H2 8629 1.913 -4.027 -3.037 + 774TIP3 OH2 8630 2.155 -3.488 -2.957 + 774TIP3 H1 8631 2.239 -3.495 -3.005 + 774TIP3 H2 8632 2.123 -3.400 -2.987 + 775TIP3 OH2 8633 2.611 -3.693 -2.480 + 775TIP3 H1 8634 2.633 -3.786 -2.463 + 775TIP3 H2 8635 2.699 -3.652 -2.483 + 776TIP3 OH2 8636 2.711 -3.416 -2.631 + 776TIP3 H1 8637 2.675 -3.354 -2.698 + 776TIP3 H2 8638 2.801 -3.428 -2.667 + 777TIP3 OH2 8639 1.789 -3.697 -2.561 + 777TIP3 H1 8640 1.736 -3.777 -2.561 + 777TIP3 H2 8641 1.869 -3.726 -2.608 + 778TIP3 OH2 8642 2.053 -4.278 -2.881 + 778TIP3 H1 8643 2.063 -4.187 -2.916 + 778TIP3 H2 8644 1.960 -4.293 -2.903 + 779TIP3 OH2 8645 2.201 -3.845 -2.586 + 779TIP3 H1 8646 2.168 -3.871 -2.498 + 779TIP3 H2 8647 2.120 -3.863 -2.638 + 780TIP3 OH2 8648 2.458 -3.945 -2.688 + 780TIP3 H1 8649 2.369 -3.929 -2.652 + 780TIP3 H2 8650 2.493 -4.009 -2.623 + 781TIP3 OH2 8651 2.642 -4.139 -2.513 + 781TIP3 H1 8652 2.610 -4.224 -2.480 + 781TIP3 H2 8653 2.616 -4.077 -2.442 + 782TIP3 OH2 8654 1.668 -3.961 -2.575 + 782TIP3 H1 8655 1.640 -4.020 -2.646 + 782TIP3 H2 8656 1.621 -3.997 -2.498 + 783TIP3 OH2 8657 2.163 -4.146 -2.475 + 783TIP3 H1 8658 2.139 -4.228 -2.522 + 783TIP3 H2 8659 2.078 -4.099 -2.469 + 784TIP3 OH2 8660 2.063 -2.458 -4.171 + 784TIP3 H1 8661 2.159 -2.448 -4.163 + 784TIP3 H2 8662 2.040 -2.398 -4.243 + 785TIP3 OH2 8663 1.449 -3.052 -4.194 + 785TIP3 H1 8664 1.539 -3.016 -4.199 + 785TIP3 H2 8665 1.441 -3.105 -4.275 + 786TIP3 OH2 8666 1.351 -2.501 -3.720 + 786TIP3 H1 8667 1.279 -2.537 -3.776 + 786TIP3 H2 8668 1.356 -2.569 -3.650 + 787TIP3 OH2 8669 1.388 -2.698 -3.520 + 787TIP3 H1 8670 1.358 -2.785 -3.489 + 787TIP3 H2 8671 1.420 -2.662 -3.436 + 788TIP3 OH2 8672 3.138 -2.550 -3.204 + 788TIP3 H1 8673 3.172 -2.581 -3.119 + 788TIP3 H2 8674 3.218 -2.548 -3.258 + 789TIP3 OH2 8675 3.128 -2.618 -2.920 + 789TIP3 H1 8676 3.079 -2.692 -2.962 + 789TIP3 H2 8677 3.186 -2.671 -2.862 + 790TIP3 OH2 8678 2.931 -3.085 -2.502 + 790TIP3 H1 8679 2.842 -3.076 -2.462 + 790TIP3 H2 8680 2.976 -3.005 -2.471 + 791TIP3 OH2 8681 3.070 -3.202 -3.931 + 791TIP3 H1 8682 3.158 -3.160 -3.919 + 791TIP3 H2 8683 3.071 -3.263 -3.855 + 792TIP3 OH2 8684 3.116 -3.403 -3.734 + 792TIP3 H1 8685 3.051 -3.457 -3.686 + 792TIP3 H2 8686 3.185 -3.386 -3.666 + 793TIP3 OH2 8687 3.087 -3.149 -3.235 + 793TIP3 H1 8688 3.151 -3.197 -3.291 + 793TIP3 H2 8689 3.108 -3.057 -3.260 + 794TIP3 OH2 8690 2.963 -2.857 -3.009 + 794TIP3 H1 8691 2.889 -2.818 -2.960 + 794TIP3 H2 8692 2.920 -2.895 -3.087 + 795TIP3 OH2 8693 3.142 -3.436 -4.108 + 795TIP3 H1 8694 3.084 -3.399 -4.176 + 795TIP3 H2 8695 3.128 -3.370 -4.037 + 796TIP3 OH2 8696 2.963 -3.697 -4.220 + 796TIP3 H1 8697 2.999 -3.621 -4.268 + 796TIP3 H2 8698 3.011 -3.770 -4.260 + 797TIP3 OH2 8699 2.909 -3.586 -3.650 + 797TIP3 H1 8700 2.900 -3.681 -3.665 + 797TIP3 H2 8701 2.872 -3.576 -3.560 + 798TIP3 OH2 8702 1.395 -3.364 -3.280 + 798TIP3 H1 8703 1.420 -3.359 -3.374 + 798TIP3 H2 8704 1.481 -3.386 -3.239 + 799TIP3 OH2 8705 2.971 -3.393 -2.734 + 799TIP3 H1 8706 3.046 -3.454 -2.719 + 799TIP3 H2 8707 3.016 -3.310 -2.755 + 800TIP3 OH2 8708 3.126 -3.584 -2.613 + 800TIP3 H1 8709 3.047 -3.636 -2.637 + 800TIP3 H2 8710 3.196 -3.652 -2.616 + 801TIP3 OH2 8711 2.891 -4.023 -4.341 + 801TIP3 H1 8712 2.950 -4.044 -4.267 + 801TIP3 H2 8713 2.803 -4.044 -4.306 + 802TIP3 OH2 8714 2.886 -3.827 -3.837 + 802TIP3 H1 8715 2.908 -3.922 -3.828 + 802TIP3 H2 8716 2.971 -3.792 -3.870 + 803TIP3 OH2 8717 2.920 -3.774 -3.292 + 803TIP3 H1 8718 3.017 -3.767 -3.294 + 803TIP3 H2 8719 2.905 -3.775 -3.196 + 804TIP3 OH2 8720 2.934 -3.706 -3.006 + 804TIP3 H1 8721 2.850 -3.664 -2.980 + 804TIP3 H2 8722 2.989 -3.629 -3.028 + 805TIP3 OH2 8723 1.381 -3.835 -2.626 + 805TIP3 H1 8724 1.472 -3.859 -2.645 + 805TIP3 H2 8725 1.336 -3.921 -2.630 + 806TIP3 OH2 8726 3.142 -4.281 -2.433 + 806TIP3 H1 8727 3.214 -4.345 -2.447 + 806TIP3 H2 8728 3.151 -4.217 -2.507 + 807TIP3 OH2 8729 2.924 -4.097 -3.823 + 807TIP3 H1 8730 2.948 -4.146 -3.743 + 807TIP3 H2 8731 2.862 -4.159 -3.865 + 808TIP3 OH2 8732 1.456 -3.989 -3.362 + 808TIP3 H1 8733 1.486 -4.082 -3.350 + 808TIP3 H2 8734 1.530 -3.940 -3.322 + 809TIP3 OH2 8735 1.317 -3.729 -3.256 + 809TIP3 H1 8736 1.375 -3.733 -3.334 + 809TIP3 H2 8737 1.354 -3.653 -3.209 + 810TIP3 OH2 8738 3.129 -4.111 -2.644 + 810TIP3 H1 8739 3.044 -4.063 -2.638 + 810TIP3 H2 8740 3.121 -4.147 -2.735 + 811TIP3 OH2 8741 3.141 -4.072 -4.176 + 811TIP3 H1 8742 3.170 -4.146 -4.231 + 811TIP3 H2 8743 3.222 -4.019 -4.169 + 812TIP3 OH2 8744 1.372 -4.098 -3.851 + 812TIP3 H1 8745 1.276 -4.098 -3.871 + 812TIP3 H2 8746 1.408 -4.032 -3.913 + 813TIP3 OH2 8747 2.829 -2.570 -3.640 + 813TIP3 H1 8748 2.877 -2.596 -3.720 + 813TIP3 H2 8749 2.901 -2.532 -3.588 + 814TIP3 OH2 8750 1.349 -4.126 -3.000 + 814TIP3 H1 8751 1.349 -4.220 -2.973 + 814TIP3 H2 8752 1.325 -4.134 -3.093 + 815TIP3 OH2 8753 1.570 -2.897 -2.568 + 815TIP3 H1 8754 1.496 -2.896 -2.630 + 815TIP3 H2 8755 1.526 -2.900 -2.482 + 816TIP3 OH2 8756 1.854 -2.800 -3.001 + 816TIP3 H1 8757 1.822 -2.714 -3.033 + 816TIP3 H2 8758 1.950 -2.789 -3.018 + 817TIP3 OH2 8759 2.306 -2.670 -2.699 + 817TIP3 H1 8760 2.316 -2.685 -2.603 + 817TIP3 H2 8761 2.389 -2.623 -2.720 + 818TIP3 OH2 8762 2.537 -2.516 -2.776 + 818TIP3 H1 8763 2.601 -2.587 -2.796 + 818TIP3 H2 8764 2.563 -2.492 -2.685 + 819TIP3 OH2 8765 2.993 -4.277 -2.854 + 819TIP3 H1 8766 2.943 -4.214 -2.908 + 819TIP3 H2 8767 3.010 -4.345 -2.921 + 820TIP3 OH2 8768 1.590 -2.506 -2.968 + 820TIP3 H1 8769 1.531 -2.443 -3.012 + 820TIP3 H2 8770 1.566 -2.490 -2.876 + 821TIP3 OH2 8771 1.841 -2.524 -3.111 + 821TIP3 H1 8772 1.756 -2.509 -3.066 + 821TIP3 H2 8773 1.840 -2.454 -3.178 + 822TIP3 OH2 8774 2.318 -2.526 -3.155 + 822TIP3 H1 8775 2.278 -2.481 -3.232 + 822TIP3 H2 8776 2.323 -2.453 -3.091 + 823TIP3 OH2 8777 2.557 -2.644 -3.065 + 823TIP3 H1 8778 2.468 -2.620 -3.097 + 823TIP3 H2 8779 2.603 -2.559 -3.071 + 824TIP3 OH2 8780 2.805 -2.434 -3.059 + 824TIP3 H1 8781 2.781 -2.366 -3.123 + 824TIP3 H2 8782 2.831 -2.504 -3.122 + 825TIP3 OH2 8783 1.552 -2.622 -3.273 + 825TIP3 H1 8784 1.546 -2.669 -3.188 + 825TIP3 H2 8785 1.627 -2.668 -3.315 + 826TIP3 OH2 8786 1.753 -2.749 -3.431 + 826TIP3 H1 8787 1.735 -2.841 -3.401 + 826TIP3 H2 8788 1.843 -2.734 -3.395 + 827TIP3 OH2 8789 2.029 -2.700 -3.339 + 827TIP3 H1 8790 2.046 -2.794 -3.361 + 827TIP3 H2 8791 2.034 -2.704 -3.243 + 828TIP3 OH2 8792 2.357 -4.112 -3.411 + 828TIP3 H1 8793 2.295 -4.182 -3.382 + 828TIP3 H2 8794 2.417 -4.162 -3.469 + 829TIP3 OH2 8795 2.886 -4.329 -3.364 + 829TIP3 H1 8796 2.945 -4.288 -3.430 + 829TIP3 H2 8797 2.798 -4.306 -3.396 + 830TIP3 OH2 8798 3.081 -4.225 -3.583 + 830TIP3 H1 8799 3.134 -4.246 -3.660 + 830TIP3 H2 8800 3.100 -4.130 -3.569 + 831TIP3 OH2 8801 1.594 -4.284 -3.682 + 831TIP3 H1 8802 1.500 -4.300 -3.697 + 831TIP3 H2 8803 1.624 -4.366 -3.641 + 832TIP3 OH2 8804 1.456 -4.282 -4.068 + 832TIP3 H1 8805 1.505 -4.228 -4.133 + 832TIP3 H2 8806 1.416 -4.214 -4.012 + 833TIP3 OH2 8807 2.043 -4.231 -3.658 + 833TIP3 H1 8808 2.139 -4.234 -3.669 + 833TIP3 H2 8809 2.027 -4.290 -3.583 + 834TIP3 OH2 8810 2.598 -4.265 -3.515 + 834TIP3 H1 8811 2.630 -4.263 -3.606 + 834TIP3 H2 8812 2.583 -4.359 -3.499 + 835TIP3 OH2 8813 2.705 -4.271 -3.917 + 835TIP3 H1 8814 2.631 -4.214 -3.943 + 835TIP3 H2 8815 2.667 -4.359 -3.919 + 836TIP3 OH2 8816 1.483 -2.695 -3.966 + 836TIP3 H1 8817 1.411 -2.698 -4.032 + 836TIP3 H2 8818 1.482 -2.602 -3.942 + 837TIP3 OH2 8819 1.642 -4.121 -4.226 + 837TIP3 H1 8820 1.705 -4.164 -4.285 + 837TIP3 H2 8821 1.702 -4.062 -4.176 + 838TIP3 OH2 8822 2.166 -4.057 -3.986 + 838TIP3 H1 8823 2.176 -4.142 -3.939 + 838TIP3 H2 8824 2.185 -3.991 -3.917 + 839TIP3 OH2 8825 2.349 -2.529 -4.147 + 839TIP3 H1 8826 2.447 -2.517 -4.139 + 839TIP3 H2 8827 2.347 -2.591 -4.222 + 840TIP3 OH2 8828 3.022 -2.615 -3.880 + 840TIP3 H1 8829 2.994 -2.697 -3.926 + 840TIP3 H2 8830 3.000 -2.546 -3.945 + 841TIP3 OH2 8831 1.556 -4.178 -2.731 + 841TIP3 H1 8832 1.509 -4.257 -2.701 + 841TIP3 H2 8833 1.644 -4.216 -2.743 + 842TIP3 OH2 8834 1.849 -4.279 -2.468 + 842TIP3 H1 8835 1.936 -4.306 -2.506 + 842TIP3 H2 8836 1.824 -4.357 -2.417 + 843TIP3 OH2 8837 1.685 -2.587 -4.232 + 843TIP3 H1 8838 1.639 -2.565 -4.150 + 843TIP3 H2 8839 1.745 -2.657 -4.206 + 844TIP3 OH2 8840 2.963 -2.735 -2.643 + 844TIP3 H1 8841 2.889 -2.757 -2.703 + 844TIP3 H2 8842 2.939 -2.644 -2.617 + 845TIP3 OH2 8843 4.215 -3.463 -3.312 + 845TIP3 H1 8844 4.292 -3.430 -3.262 + 845TIP3 H2 8845 4.246 -3.459 -3.403 + 846TIP3 OH2 8846 3.516 -3.466 -3.153 + 846TIP3 H1 8847 3.516 -3.538 -3.088 + 846TIP3 H2 8848 3.586 -3.409 -3.118 + 847TIP3 OH2 8849 3.577 -2.999 -3.286 + 847TIP3 H1 8850 3.554 -3.082 -3.331 + 847TIP3 H2 8851 3.673 -3.001 -3.290 + 848TIP3 OH2 8852 3.282 -3.664 -3.764 + 848TIP3 H1 8853 3.247 -3.575 -3.748 + 848TIP3 H2 8854 3.206 -3.707 -3.806 + 849TIP3 OH2 8855 3.358 -3.418 -3.583 + 849TIP3 H1 8856 3.378 -3.496 -3.528 + 849TIP3 H2 8857 3.445 -3.396 -3.620 + 850TIP3 OH2 8858 4.120 -3.172 -3.253 + 850TIP3 H1 8859 4.146 -3.245 -3.311 + 850TIP3 H2 8860 4.204 -3.150 -3.210 + 851TIP3 OH2 8861 3.742 -3.942 -3.503 + 851TIP3 H1 8862 3.759 -3.855 -3.546 + 851TIP3 H2 8863 3.706 -3.991 -3.579 + 852TIP3 OH2 8864 3.411 -3.664 -3.454 + 852TIP3 H1 8865 3.474 -3.711 -3.396 + 852TIP3 H2 8866 3.421 -3.713 -3.537 + 853TIP3 OH2 8867 3.953 -3.528 -3.507 + 853TIP3 H1 8868 4.027 -3.581 -3.472 + 853TIP3 H2 8869 3.902 -3.598 -3.553 + 854TIP3 OH2 8870 3.621 -4.058 -3.088 + 854TIP3 H1 8871 3.590 -4.000 -3.159 + 854TIP3 H2 8872 3.555 -4.036 -3.018 + 855TIP3 OH2 8873 3.915 -3.275 -3.074 + 855TIP3 H1 8874 3.842 -3.214 -3.049 + 855TIP3 H2 8875 3.980 -3.214 -3.114 + 856TIP3 OH2 8876 3.584 -3.857 -3.293 + 856TIP3 H1 8877 3.646 -3.795 -3.249 + 856TIP3 H2 8878 3.641 -3.890 -3.366 + 857TIP3 OH2 8879 3.716 -3.084 -3.000 + 857TIP3 H1 8880 3.711 -2.997 -3.043 + 857TIP3 H2 8881 3.627 -3.087 -2.960 + 858TIP3 OH2 8882 3.341 -3.101 -3.917 + 858TIP3 H1 8883 3.327 -3.050 -3.998 + 858TIP3 H2 8884 3.372 -3.032 -3.853 + 859TIP3 OH2 8885 4.047 4.380 -3.363 + 859TIP3 H1 8886 4.040 4.285 -3.348 + 859TIP3 H2 8887 3.961 4.416 -3.332 + 860TIP3 OH2 8888 4.268 -3.431 -3.919 + 860TIP3 H1 8889 4.199 -3.361 -3.923 + 860TIP3 H2 8890 4.334 -3.392 -3.977 + 861TIP3 OH2 8891 4.287 -3.575 -4.213 + 861TIP3 H1 8892 4.353 -3.570 -4.142 + 861TIP3 H2 8893 4.300 -3.663 -4.247 + 862TIP3 OH2 8894 3.759 -3.341 -3.613 + 862TIP3 H1 8895 3.729 -3.381 -3.696 + 862TIP3 H2 8896 3.825 -3.405 -3.581 + 863TIP3 OH2 8897 3.898 -2.999 -3.339 + 863TIP3 H1 8898 3.885 -3.034 -3.428 + 863TIP3 H2 8899 3.977 -3.046 -3.308 + 864TIP3 OH2 8900 3.817 -3.459 -3.266 + 864TIP3 H1 8901 3.876 -3.457 -3.344 + 864TIP3 H2 8902 3.856 -3.390 -3.209 + 865TIP3 OH2 8903 3.903 -3.023 -2.784 + 865TIP3 H1 8904 3.852 -2.956 -2.736 + 865TIP3 H2 8905 3.839 -3.048 -2.855 + 866TIP3 OH2 8906 3.595 -3.389 -2.868 + 866TIP3 H1 8907 3.601 -3.327 -2.793 + 866TIP3 H2 8908 3.499 -3.397 -2.880 + 867TIP3 OH2 8909 4.257 -2.813 -3.701 + 867TIP3 H1 8910 4.300 -2.764 -3.629 + 867TIP3 H2 8911 4.201 -2.744 -3.741 + 868TIP3 OH2 8912 3.710 -2.804 -2.701 + 868TIP3 H1 8913 3.701 -2.802 -2.798 + 868TIP3 H2 8914 3.623 -2.835 -2.671 + 869TIP3 OH2 8915 3.654 -3.466 -3.867 + 869TIP3 H1 8916 3.628 -3.386 -3.916 + 869TIP3 H2 8917 3.580 -3.525 -3.886 + 870TIP3 OH2 8918 3.254 -3.196 -2.988 + 870TIP3 H1 8919 3.214 -3.194 -3.077 + 870TIP3 H2 8920 3.268 -3.292 -2.975 + 871TIP3 OH2 8921 3.259 -2.919 -3.281 + 871TIP3 H1 8922 3.353 -2.935 -3.302 + 871TIP3 H2 8923 3.265 -2.843 -3.223 + 872TIP3 OH2 8924 4.174 -2.922 -2.833 + 872TIP3 H1 8925 4.181 -2.833 -2.796 + 872TIP3 H2 8926 4.082 -2.948 -2.812 + 873TIP3 OH2 8927 4.189 -2.540 -3.845 + 873TIP3 H1 8928 4.204 -2.535 -3.941 + 873TIP3 H2 8929 4.207 -2.451 -3.813 + 874TIP3 OH2 8930 3.472 -3.039 -2.861 + 874TIP3 H1 8931 3.502 -3.090 -2.784 + 874TIP3 H2 8932 3.401 -3.094 -2.899 + 875TIP3 OH2 8933 3.798 -4.220 -3.274 + 875TIP3 H1 8934 3.716 -4.245 -3.318 + 875TIP3 H2 8935 3.772 -4.135 -3.234 + 876TIP3 OH2 8936 4.227 -4.309 -2.913 + 876TIP3 H1 8937 4.258 -4.314 -2.822 + 876TIP3 H2 8938 4.133 -4.283 -2.902 + 877TIP3 OH2 8939 4.221 -3.984 -4.205 + 877TIP3 H1 8940 4.156 -3.994 -4.133 + 877TIP3 H2 8941 4.191 -4.051 -4.266 + 878TIP3 OH2 8942 3.778 -3.715 -3.148 + 878TIP3 H1 8943 3.717 -3.701 -3.073 + 878TIP3 H2 8944 3.788 -3.624 -3.184 + 879TIP3 OH2 8945 3.775 -3.711 -3.658 + 879TIP3 H1 8946 3.679 -3.717 -3.675 + 879TIP3 H2 8947 3.809 -3.724 -3.748 + 880TIP3 OH2 8948 4.279 -3.673 -3.707 + 880TIP3 H1 8949 4.278 -3.578 -3.724 + 880TIP3 H2 8950 4.373 -3.694 -3.701 + 881TIP3 OH2 8951 4.250 -3.626 -2.628 + 881TIP3 H1 8952 4.193 -3.706 -2.617 + 881TIP3 H2 8953 4.337 -3.670 -2.625 + 882TIP3 OH2 8954 3.520 -3.698 -2.965 + 882TIP3 H1 8955 3.542 -3.667 -2.877 + 882TIP3 H2 8956 3.479 -3.784 -2.945 + 883TIP3 OH2 8957 3.889 -3.962 -4.318 + 883TIP3 H1 8958 3.861 -3.986 -4.228 + 883TIP3 H2 8959 3.816 -3.905 -4.346 + 884TIP3 OH2 8960 3.195 -3.959 -3.601 + 884TIP3 H1 8961 3.253 -3.955 -3.522 + 884TIP3 H2 8962 3.254 -3.993 -3.670 + 885TIP3 OH2 8963 3.352 -3.912 -4.039 + 885TIP3 H1 8964 3.412 -3.862 -4.099 + 885TIP3 H2 8965 3.288 -3.843 -4.015 + 886TIP3 OH2 8966 4.351 -3.573 -3.023 + 886TIP3 H1 8967 4.380 -3.639 -3.089 + 886TIP3 H2 8968 4.272 -3.615 -2.988 + 887TIP3 OH2 8969 4.048 -3.974 -3.560 + 887TIP3 H1 8970 3.956 -3.960 -3.533 + 887TIP3 H2 8971 4.095 -3.950 -3.478 + 888TIP3 OH2 8972 3.508 -3.829 -3.689 + 888TIP3 H1 8973 3.427 -3.799 -3.734 + 888TIP3 H2 8974 3.535 -3.908 -3.739 + 889TIP3 OH2 8975 3.867 -3.789 -3.924 + 889TIP3 H1 8976 3.964 -3.781 -3.918 + 889TIP3 H2 8977 3.844 -3.729 -3.997 + 890TIP3 OH2 8978 3.731 -3.677 -4.158 + 890TIP3 H1 8979 3.667 -3.722 -4.215 + 890TIP3 H2 8980 3.803 -3.655 -4.218 + 891TIP3 OH2 8981 3.582 -3.196 -2.647 + 891TIP3 H1 8982 3.650 -3.187 -2.577 + 891TIP3 H2 8983 3.502 -3.195 -2.591 + 892TIP3 OH2 8984 4.137 -3.741 -3.415 + 892TIP3 H1 8985 4.218 -3.764 -3.462 + 892TIP3 H2 8986 4.166 -3.744 -3.323 + 893TIP3 OH2 8987 3.668 -4.066 -3.756 + 893TIP3 H1 8988 3.622 -4.151 -3.744 + 893TIP3 H2 8989 3.753 -4.094 -3.792 + 894TIP3 OH2 8990 4.047 -3.861 -3.141 + 894TIP3 H1 8991 3.980 -3.793 -3.162 + 894TIP3 H2 8992 4.100 -3.815 -3.074 + 895TIP3 OH2 8993 4.072 -3.228 -3.954 + 895TIP3 H1 8994 3.992 -3.269 -3.991 + 895TIP3 H2 8995 4.049 -3.213 -3.860 + 896TIP3 OH2 8996 4.208 -3.224 -2.832 + 896TIP3 H1 8997 4.182 -3.233 -2.740 + 896TIP3 H2 8998 4.213 -3.128 -2.845 + 897TIP3 OH2 8999 3.575 -3.273 -3.378 + 897TIP3 H1 9000 3.632 -3.276 -3.457 + 897TIP3 H2 9001 3.593 -3.358 -3.336 + 898TIP3 OH2 9002 4.284 -3.081 -4.052 + 898TIP3 H1 9003 4.254 -2.990 -4.032 + 898TIP3 H2 9004 4.207 -3.133 -4.021 + 899TIP3 OH2 9005 3.304 -3.444 -2.852 + 899TIP3 H1 9006 3.320 -3.489 -2.766 + 899TIP3 H2 9007 3.244 -3.505 -2.898 + 900TIP3 OH2 9008 4.001 -3.494 -2.649 + 900TIP3 H1 9009 3.966 -3.523 -2.735 + 900TIP3 H2 9010 4.096 -3.517 -2.659 + 901TIP3 OH2 9011 3.820 -2.944 -3.650 + 901TIP3 H1 9012 3.848 -2.853 -3.670 + 901TIP3 H2 9013 3.723 -2.937 -3.664 + 902TIP3 OH2 9014 3.423 -3.450 -4.199 + 902TIP3 H1 9015 3.479 -3.384 -4.152 + 902TIP3 H2 9016 3.334 -3.429 -4.165 + 903TIP3 OH2 9017 3.995 -3.175 -3.694 + 903TIP3 H1 9018 3.970 -3.083 -3.676 + 903TIP3 H2 9019 3.924 -3.223 -3.648 + 904TIP3 OH2 9020 4.020 -2.744 -3.049 + 904TIP3 H1 9021 4.077 -2.673 -3.086 + 904TIP3 H2 9022 4.085 -2.795 -3.000 + 905TIP3 OH2 9023 3.831 -2.644 -3.740 + 905TIP3 H1 9024 3.740 -2.648 -3.711 + 905TIP3 H2 9025 3.862 -2.558 -3.707 + 906TIP3 OH2 9026 3.437 -3.962 -2.892 + 906TIP3 H1 9027 3.346 -3.942 -2.924 + 906TIP3 H2 9028 3.420 -4.048 -2.849 + 907TIP3 OH2 9029 3.407 -2.797 -3.046 + 907TIP3 H1 9030 3.437 -2.889 -3.045 + 907TIP3 H2 9031 3.442 -2.766 -2.962 + 908TIP3 OH2 9032 4.016 -2.941 -4.332 + 908TIP3 H1 9033 4.074 -3.017 -4.349 + 908TIP3 H2 9034 3.972 -2.968 -4.249 + 909TIP3 OH2 9035 3.886 -2.990 -4.078 + 909TIP3 H1 9036 3.925 -3.039 -4.004 + 909TIP3 H2 9037 3.896 -2.897 -4.048 + 910TIP3 OH2 9038 3.558 -3.245 -4.035 + 910TIP3 H1 9039 3.485 -3.204 -3.985 + 910TIP3 H2 9040 3.608 -3.166 -4.060 + 911TIP3 OH2 9041 4.329 -3.929 -2.977 + 911TIP3 H1 9042 4.392 -4.003 -2.988 + 911TIP3 H2 9043 4.270 -3.956 -3.049 + 912TIP3 OH2 9044 4.169 -2.822 -4.025 + 912TIP3 H1 9045 4.088 -2.773 -4.001 + 912TIP3 H2 9046 4.210 -2.761 -4.088 + 913TIP3 OH2 9047 4.132 -3.867 -3.815 + 913TIP3 H1 9048 4.196 -3.797 -3.788 + 913TIP3 H2 9049 4.097 -3.888 -3.726 + 914TIP3 OH2 9050 4.147 -3.763 -2.879 + 914TIP3 H1 9051 4.183 -3.701 -2.815 + 914TIP3 H2 9052 4.221 -3.826 -2.895 + 915TIP3 OH2 9053 4.198 -4.170 -3.689 + 915TIP3 H1 9054 4.171 -4.085 -3.650 + 915TIP3 H2 9055 4.271 -4.145 -3.749 + 916TIP3 OH2 9056 3.896 -2.710 -4.022 + 916TIP3 H1 9057 3.898 -2.623 -4.067 + 916TIP3 H2 9058 3.869 -2.684 -3.931 + 917TIP3 OH2 9059 3.767 -4.044 -4.073 + 917TIP3 H1 9060 3.762 -3.965 -4.016 + 917TIP3 H2 9061 3.853 -4.081 -4.045 + 918TIP3 OH2 9062 3.604 -2.950 -4.161 + 918TIP3 H1 9063 3.678 -2.916 -4.108 + 918TIP3 H2 9064 3.650 -3.003 -4.227 + 919TIP3 OH2 9065 3.431 -3.734 -4.255 + 919TIP3 H1 9066 3.445 -3.638 -4.239 + 919TIP3 H2 9067 3.340 -3.735 -4.288 + 920TIP3 OH2 9068 3.435 -4.244 -3.355 + 920TIP3 H1 9069 3.478 -4.246 -3.442 + 920TIP3 H2 9070 3.455 -4.334 -3.325 + 921TIP3 OH2 9071 3.342 -2.595 -2.625 + 921TIP3 H1 9072 3.403 -2.625 -2.554 + 921TIP3 H2 9073 3.305 -2.681 -2.655 + 922TIP3 OH2 9074 3.813 -2.691 -2.451 + 922TIP3 H1 9075 3.881 -2.756 -2.429 + 922TIP3 H2 9076 3.790 -2.719 -2.541 + 923TIP3 OH2 9077 4.232 -2.757 -4.318 + 923TIP3 H1 9078 4.152 -2.813 -4.325 + 923TIP3 H2 9079 4.297 -2.815 -4.358 + 924TIP3 OH2 9080 3.341 -3.236 -2.516 + 924TIP3 H1 9081 3.350 -3.326 -2.553 + 924TIP3 H2 9082 3.264 -3.204 -2.568 + 925TIP3 OH2 9083 3.764 -3.201 -4.317 + 925TIP3 H1 9084 3.792 -3.242 -4.234 + 925TIP3 H2 9085 3.848 -3.190 -4.366 + 926TIP3 OH2 9086 4.008 -3.214 -2.584 + 926TIP3 H1 9087 3.978 -3.181 -2.671 + 926TIP3 H2 9088 4.014 -3.311 -2.599 + 927TIP3 OH2 9089 4.272 -3.081 -4.352 + 927TIP3 H1 9090 4.322 -3.044 -4.276 + 927TIP3 H2 9091 4.333 -3.149 -4.383 + 928TIP3 OH2 9092 3.427 -3.525 -2.599 + 928TIP3 H1 9093 3.503 -3.585 -2.598 + 928TIP3 H2 9094 3.422 -3.499 -2.506 + 929TIP3 OH2 9095 3.865 -3.384 -4.095 + 929TIP3 H1 9096 3.806 -3.427 -4.031 + 929TIP3 H2 9097 3.901 -3.460 -4.143 + 930TIP3 OH2 9098 3.796 -3.604 -2.852 + 930TIP3 H1 9099 3.738 -3.527 -2.838 + 930TIP3 H2 9100 3.852 -3.573 -2.925 + 931TIP3 OH2 9101 3.999 -3.592 -4.269 + 931TIP3 H1 9102 3.981 -3.582 -4.363 + 931TIP3 H2 9103 4.090 -3.561 -4.259 + 932TIP3 OH2 9104 4.283 -3.359 -2.484 + 932TIP3 H1 9105 4.352 -3.389 -2.543 + 932TIP3 H2 9106 4.267 -3.441 -2.434 + 933TIP3 OH2 9107 3.852 -3.879 -2.742 + 933TIP3 H1 9108 3.864 -3.942 -2.815 + 933TIP3 H2 9109 3.839 -3.795 -2.791 + 934TIP3 OH2 9110 3.890 -4.041 -3.003 + 934TIP3 H1 9111 3.943 -3.981 -3.060 + 934TIP3 H2 9112 3.800 -4.026 -3.036 + 935TIP3 OH2 9113 4.068 -3.493 -2.967 + 935TIP3 H1 9114 4.136 -3.491 -3.036 + 935TIP3 H2 9115 4.028 -3.405 -2.978 + 936TIP3 OH2 9116 3.675 -3.698 -2.558 + 936TIP3 H1 9117 3.622 -3.780 -2.563 + 936TIP3 H2 9118 3.754 -3.723 -2.609 + 937TIP3 OH2 9119 3.948 -4.280 -2.886 + 937TIP3 H1 9120 3.943 -4.187 -2.920 + 937TIP3 H2 9121 3.864 -4.314 -2.920 + 938TIP3 OH2 9122 4.106 -3.856 -2.588 + 938TIP3 H1 9123 4.070 -3.887 -2.503 + 938TIP3 H2 9124 4.030 -3.875 -2.647 + 939TIP3 OH2 9125 3.552 -3.959 -2.575 + 939TIP3 H1 9126 3.526 -4.019 -2.647 + 939TIP3 H2 9127 3.506 -3.997 -2.499 + 940TIP3 OH2 9128 4.054 -4.147 -2.471 + 940TIP3 H1 9129 4.027 -4.228 -2.517 + 940TIP3 H2 9130 3.971 -4.095 -2.468 + 941TIP3 OH2 9131 3.960 -2.462 -4.172 + 941TIP3 H1 9132 4.055 -2.445 -4.163 + 941TIP3 H2 9133 3.933 -2.399 -4.241 + 942TIP3 OH2 9134 3.332 -3.053 -4.201 + 942TIP3 H1 9135 3.421 -3.013 -4.193 + 942TIP3 H2 9136 3.340 -3.106 -4.281 + 943TIP3 OH2 9137 3.236 -2.498 -3.720 + 943TIP3 H1 9138 3.165 -2.535 -3.776 + 943TIP3 H2 9139 3.242 -2.567 -3.651 + 944TIP3 OH2 9140 3.239 -2.676 -3.505 + 944TIP3 H1 9141 3.254 -2.770 -3.527 + 944TIP3 H2 9142 3.303 -2.665 -3.433 + 945TIP3 OH2 9143 3.280 -3.368 -3.280 + 945TIP3 H1 9144 3.304 -3.355 -3.373 + 945TIP3 H2 9145 3.368 -3.385 -3.241 + 946TIP3 OH2 9146 3.267 -3.836 -2.625 + 946TIP3 H1 9147 3.358 -3.858 -2.646 + 946TIP3 H2 9148 3.223 -3.922 -2.632 + 947TIP3 OH2 9149 3.342 -3.991 -3.361 + 947TIP3 H1 9150 3.373 -4.083 -3.350 + 947TIP3 H2 9151 3.416 -3.941 -3.323 + 948TIP3 OH2 9152 3.203 -3.728 -3.257 + 948TIP3 H1 9153 3.262 -3.731 -3.334 + 948TIP3 H2 9154 3.239 -3.653 -3.209 + 949TIP3 OH2 9155 3.257 -4.103 -3.854 + 949TIP3 H1 9156 3.162 -4.095 -3.871 + 949TIP3 H2 9157 3.295 -4.033 -3.912 + 950TIP3 OH2 9158 3.232 -4.127 -2.998 + 950TIP3 H1 9159 3.235 -4.221 -2.973 + 950TIP3 H2 9160 3.212 -4.133 -3.092 + 951TIP3 OH2 9161 3.456 -2.895 -2.566 + 951TIP3 H1 9162 3.384 -2.900 -2.631 + 951TIP3 H2 9163 3.409 -2.901 -2.482 + 952TIP3 OH2 9164 3.740 -2.795 -2.996 + 952TIP3 H1 9165 3.710 -2.712 -3.037 + 952TIP3 H2 9166 3.836 -2.789 -3.015 + 953TIP3 OH2 9167 4.220 -2.635 -2.710 + 953TIP3 H1 9168 4.205 -2.671 -2.621 + 953TIP3 H2 9169 4.314 -2.613 -2.704 + 954TIP3 OH2 9170 3.478 -2.501 -2.965 + 954TIP3 H1 9171 3.422 -2.438 -3.013 + 954TIP3 H2 9172 3.441 -2.498 -2.876 + 955TIP3 OH2 9173 3.732 -2.523 -3.106 + 955TIP3 H1 9174 3.645 -2.506 -3.066 + 955TIP3 H2 9175 3.735 -2.458 -3.178 + 956TIP3 OH2 9176 4.197 -2.548 -3.154 + 956TIP3 H1 9177 4.178 -2.500 -3.236 + 956TIP3 H2 9178 4.258 -2.489 -3.109 + 957TIP3 OH2 9179 3.430 -2.624 -3.270 + 957TIP3 H1 9180 3.436 -2.676 -3.187 + 957TIP3 H2 9181 3.507 -2.661 -3.318 + 958TIP3 OH2 9182 3.640 -2.718 -3.409 + 958TIP3 H1 9183 3.616 -2.804 -3.450 + 958TIP3 H2 9184 3.736 -2.726 -3.396 + 959TIP3 OH2 9185 3.921 -2.698 -3.340 + 959TIP3 H1 9186 3.935 -2.792 -3.362 + 959TIP3 H2 9187 3.920 -2.702 -3.243 + 960TIP3 OH2 9188 4.259 -4.143 -3.401 + 960TIP3 H1 9189 4.179 -4.198 -3.389 + 960TIP3 H2 9190 4.292 -4.176 -3.485 + 961TIP3 OH2 9191 3.479 -4.284 -3.678 + 961TIP3 H1 9192 3.386 -4.298 -3.701 + 961TIP3 H2 9193 3.505 -4.369 -3.643 + 962TIP3 OH2 9194 3.340 -4.282 -4.068 + 962TIP3 H1 9195 3.391 -4.230 -4.134 + 962TIP3 H2 9196 3.305 -4.212 -4.011 + 963TIP3 OH2 9197 3.934 -4.257 -3.675 + 963TIP3 H1 9198 4.026 -4.223 -3.668 + 963TIP3 H2 9199 3.918 -4.289 -3.586 + 964TIP3 OH2 9200 3.379 -2.690 -3.997 + 964TIP3 H1 9201 3.289 -2.695 -4.032 + 964TIP3 H2 9202 3.367 -2.635 -3.919 + 965TIP3 OH2 9203 3.528 -4.125 -4.224 + 965TIP3 H1 9204 3.592 -4.163 -4.286 + 965TIP3 H2 9205 3.586 -4.062 -4.177 + 966TIP3 OH2 9206 4.051 -4.065 -3.985 + 966TIP3 H1 9207 4.065 -4.147 -3.934 + 966TIP3 H2 9208 4.065 -3.995 -3.918 + 967TIP3 OH2 9209 4.270 -2.544 -4.143 + 967TIP3 H1 9210 4.355 -2.504 -4.167 + 967TIP3 H2 9211 4.252 -2.600 -4.222 + 968TIP3 OH2 9212 3.440 -4.178 -2.729 + 968TIP3 H1 9213 3.396 -4.260 -2.701 + 968TIP3 H2 9214 3.529 -4.213 -2.745 + 969TIP3 OH2 9215 3.732 -4.279 -2.467 + 969TIP3 H1 9216 3.820 -4.303 -2.504 + 969TIP3 H2 9217 3.709 -4.359 -2.419 + 970TIP3 OH2 9218 3.573 -2.584 -4.228 + 970TIP3 H1 9219 3.520 -2.571 -4.148 + 970TIP3 H2 9220 3.627 -2.659 -4.204 + 971TIP3 OH2 9221 -3.162 -1.483 -3.631 + 971TIP3 H1 9222 -3.161 -1.387 -3.616 + 971TIP3 H2 9223 -3.240 -1.493 -3.687 + 972TIP3 OH2 9224 -3.265 -1.536 -3.318 + 972TIP3 H1 9225 -3.272 -1.594 -3.240 + 972TIP3 H2 9226 -3.298 -1.594 -3.388 + 973TIP3 OH2 9227 -4.024 -1.578 -3.158 + 973TIP3 H1 9228 -4.033 -1.651 -3.094 + 973TIP3 H2 9229 -3.964 -1.519 -3.112 + 974TIP3 OH2 9230 -2.905 -1.254 -3.480 + 974TIP3 H1 9231 -2.938 -1.326 -3.425 + 974TIP3 H2 9232 -2.879 -1.190 -3.412 + 975TIP3 OH2 9233 -3.956 -1.114 -3.304 + 975TIP3 H1 9234 -3.984 -1.206 -3.322 + 975TIP3 H2 9235 -3.868 -1.128 -3.265 + 976TIP3 OH2 9236 -4.202 -1.814 -3.845 + 976TIP3 H1 9237 -4.209 -1.729 -3.799 + 976TIP3 H2 9238 -4.290 -1.850 -3.826 + 977TIP3 OH2 9239 -4.198 -1.554 -3.615 + 977TIP3 H1 9240 -4.190 -1.600 -3.530 + 977TIP3 H2 9241 -4.122 -1.494 -3.613 + 978TIP3 OH2 9242 -3.202 -0.727 -3.435 + 978TIP3 H1 9243 -3.142 -0.800 -3.462 + 978TIP3 H2 9244 -3.231 -0.755 -3.347 + 979TIP3 OH2 9245 -3.421 -1.286 -3.264 + 979TIP3 H1 9246 -3.386 -1.357 -3.321 + 979TIP3 H2 9247 -3.342 -1.267 -3.211 + 980TIP3 OH2 9248 -2.563 -2.131 -3.201 + 980TIP3 H1 9249 -2.535 -2.073 -3.127 + 980TIP3 H2 9250 -2.498 -2.105 -3.269 + 981TIP3 OH2 9251 -3.100 -1.852 -3.214 + 981TIP3 H1 9252 -3.082 -1.948 -3.206 + 981TIP3 H2 9253 -3.104 -1.841 -3.310 + 982TIP3 OH2 9254 -3.793 -2.051 -3.507 + 982TIP3 H1 9255 -3.787 -1.963 -3.550 + 982TIP3 H2 9256 -3.838 -2.102 -3.577 + 983TIP3 OH2 9257 -3.014 -2.043 -3.678 + 983TIP3 H1 9258 -2.956 -2.077 -3.606 + 983TIP3 H2 9259 -2.950 -1.994 -3.730 + 984TIP3 OH2 9260 -4.137 -1.779 -3.451 + 984TIP3 H1 9261 -4.080 -1.820 -3.384 + 984TIP3 H2 9262 -4.121 -1.836 -3.527 + 985TIP3 OH2 9263 -3.587 -1.640 -3.513 + 985TIP3 H1 9264 -3.521 -1.697 -3.469 + 985TIP3 H2 9265 -3.644 -1.706 -3.556 + 986TIP3 OH2 9266 -2.486 -1.996 -2.952 + 986TIP3 H1 9267 -2.548 -1.926 -2.977 + 986TIP3 H2 9268 -2.507 -2.005 -2.858 + 987TIP3 OH2 9269 -3.918 -2.169 -3.088 + 987TIP3 H1 9270 -3.964 -2.122 -3.160 + 987TIP3 H2 9271 -3.981 -2.154 -3.014 + 988TIP3 OH2 9272 -3.169 -1.197 -3.750 + 988TIP3 H1 9273 -3.204 -1.217 -3.838 + 988TIP3 H2 9274 -3.213 -1.112 -3.730 + 989TIP3 OH2 9275 -3.629 -1.385 -3.081 + 989TIP3 H1 9276 -3.702 -1.327 -3.049 + 989TIP3 H2 9277 -3.569 -1.320 -3.120 + 990TIP3 OH2 9278 -2.837 -2.108 -3.469 + 990TIP3 H1 9279 -2.868 -2.170 -3.402 + 990TIP3 H2 9280 -2.778 -2.051 -3.417 + 991TIP3 OH2 9281 -3.957 -1.967 -3.296 + 991TIP3 H1 9282 -3.895 -1.908 -3.249 + 991TIP3 H2 9283 -3.897 -2.003 -3.365 + 992TIP3 OH2 9284 -3.833 -1.193 -3.012 + 992TIP3 H1 9285 -3.820 -1.096 -3.016 + 992TIP3 H2 9286 -3.886 -1.196 -2.931 + 993TIP3 OH2 9287 -4.188 -1.238 -3.915 + 993TIP3 H1 9288 -4.253 -1.213 -3.984 + 993TIP3 H2 9289 -4.205 -1.172 -3.846 + 994TIP3 OH2 9290 -2.849 -1.087 -3.206 + 994TIP3 H1 9291 -2.943 -1.068 -3.222 + 994TIP3 H2 9292 -2.808 -1.004 -3.236 + 995TIP3 OH2 9293 -2.820 -2.196 -3.087 + 995TIP3 H1 9294 -2.896 -2.154 -3.131 + 995TIP3 H2 9295 -2.746 -2.176 -3.147 + 996TIP3 OH2 9296 -3.565 -2.462 -3.440 + 996TIP3 H1 9297 -3.476 -2.427 -3.434 + 996TIP3 H2 9298 -3.615 -2.404 -3.383 + 997TIP3 OH2 9299 -3.020 -0.889 -3.581 + 997TIP3 H1 9300 -2.970 -0.966 -3.614 + 997TIP3 H2 9301 -2.953 -0.818 -3.592 + 998TIP3 OH2 9302 -2.874 -1.103 -3.721 + 998TIP3 H1 9303 -2.930 -1.149 -3.785 + 998TIP3 H2 9304 -2.879 -1.162 -3.644 + 999TIP3 OH2 9305 -3.291 -1.535 -3.904 + 999TIP3 H1 9306 -3.358 -1.470 -3.934 + 999TIP3 H2 9307 -3.220 -1.521 -3.968 + 1000TIP3 OH2 9308 -3.273 -1.708 -4.206 + 1000TIP3 H1 9309 -3.206 -1.673 -4.144 + 1000TIP3 H2 9310 -3.217 -1.769 -4.260 + 1001TIP3 OH2 9311 -2.559 -1.595 -3.079 + 1001TIP3 H1 9312 -2.623 -1.524 -3.066 + 1001TIP3 H2 9313 -2.508 -1.563 -3.156 + 1002TIP3 OH2 9314 -2.945 -1.532 -3.795 + 1002TIP3 H1 9315 -3.013 -1.509 -3.727 + 1002TIP3 H2 9316 -2.883 -1.585 -3.741 + 1003TIP3 OH2 9317 -2.957 -1.679 -2.908 + 1003TIP3 H1 9318 -2.968 -1.615 -2.836 + 1003TIP3 H2 9319 -3.024 -1.647 -2.971 + 1004TIP3 OH2 9320 -3.779 -1.449 -3.618 + 1004TIP3 H1 9321 -3.815 -1.493 -3.698 + 1004TIP3 H2 9322 -3.718 -1.517 -3.584 + 1005TIP3 OH2 9323 -3.643 -1.109 -3.345 + 1005TIP3 H1 9324 -3.657 -1.153 -3.430 + 1005TIP3 H2 9325 -3.566 -1.157 -3.310 + 1006TIP3 OH2 9326 -3.727 -1.573 -3.273 + 1006TIP3 H1 9327 -3.666 -1.564 -3.349 + 1006TIP3 H2 9328 -3.694 -1.505 -3.211 + 1007TIP3 OH2 9329 -3.119 -1.024 -3.210 + 1007TIP3 H1 9330 -3.138 -0.949 -3.151 + 1007TIP3 H2 9331 -3.155 -1.101 -3.162 + 1008TIP3 OH2 9332 -3.035 -1.584 -4.058 + 1008TIP3 H1 9333 -2.994 -1.557 -3.973 + 1008TIP3 H2 9334 -2.975 -1.541 -4.121 + 1009TIP3 OH2 9335 -3.956 -1.506 -2.870 + 1009TIP3 H1 9336 -3.947 -1.448 -2.791 + 1009TIP3 H2 9337 -4.054 -1.508 -2.877 + 1010TIP3 OH2 9338 -3.302 -0.924 -3.696 + 1010TIP3 H1 9339 -3.255 -0.896 -3.616 + 1010TIP3 H2 9340 -3.351 -0.844 -3.720 + 1011TIP3 OH2 9341 -2.696 -2.412 -4.077 + 1011TIP3 H1 9342 -2.784 -2.392 -4.040 + 1011TIP3 H2 9343 -2.666 -2.326 -4.107 + 1012TIP3 OH2 9344 -3.887 -1.580 -3.870 + 1012TIP3 H1 9345 -3.916 -1.499 -3.917 + 1012TIP3 H2 9346 -3.961 -1.640 -3.887 + 1013TIP3 OH2 9347 -2.590 -0.985 -4.251 + 1013TIP3 H1 9348 -2.559 -0.905 -4.206 + 1013TIP3 H2 9349 -2.515 -1.046 -4.241 + 1014TIP3 OH2 9350 -4.275 -1.298 -3.021 + 1014TIP3 H1 9351 -4.293 -1.340 -3.107 + 1014TIP3 H2 9352 -4.313 -1.361 -2.959 + 1015TIP3 OH2 9353 -4.275 -1.008 -3.316 + 1015TIP3 H1 9354 -4.198 -1.060 -3.291 + 1015TIP3 H2 9355 -4.307 -0.973 -3.232 + 1016TIP3 OH2 9356 -2.444 -0.957 -2.721 + 1016TIP3 H1 9357 -2.455 -1.053 -2.732 + 1016TIP3 H2 9358 -2.532 -0.930 -2.686 + 1017TIP3 OH2 9359 -3.385 -1.043 -2.837 + 1017TIP3 H1 9360 -3.362 -0.961 -2.790 + 1017TIP3 H2 9361 -3.476 -1.058 -2.806 + 1018TIP3 OH2 9362 -3.346 -0.654 -3.848 + 1018TIP3 H1 9363 -3.347 -0.641 -3.944 + 1018TIP3 H2 9364 -3.343 -0.563 -3.813 + 1019TIP3 OH2 9365 -3.978 -0.739 -3.677 + 1019TIP3 H1 9366 -3.954 -0.782 -3.592 + 1019TIP3 H2 9367 -4.054 -0.795 -3.700 + 1020TIP3 OH2 9368 -3.024 -0.693 -4.139 + 1020TIP3 H1 9369 -2.978 -0.751 -4.203 + 1020TIP3 H2 9370 -3.020 -0.746 -4.058 + 1021TIP3 OH2 9371 -3.075 -0.765 -3.863 + 1021TIP3 H1 9372 -3.168 -0.748 -3.841 + 1021TIP3 H2 9373 -3.053 -0.832 -3.796 + 1022TIP3 OH2 9374 -2.762 -1.816 -2.681 + 1022TIP3 H1 9375 -2.816 -1.783 -2.754 + 1022TIP3 H2 9376 -2.761 -1.912 -2.697 + 1023TIP3 OH2 9377 -4.115 -1.145 -2.834 + 1023TIP3 H1 9378 -4.040 -1.186 -2.788 + 1023TIP3 H2 9379 -4.150 -1.214 -2.894 + 1024TIP3 OH2 9380 -3.746 -2.300 -3.287 + 1024TIP3 H1 9381 -3.828 -2.317 -3.338 + 1024TIP3 H2 9382 -3.778 -2.234 -3.224 + 1025TIP3 OH2 9383 -3.335 -2.382 -2.885 + 1025TIP3 H1 9384 -3.269 -2.428 -2.871 + 1025TIP3 H2 9385 -3.319 -2.296 -2.817 + 1026TIP3 OH2 9386 -3.000 -1.973 -2.876 + 1026TIP3 H1 9387 -3.053 -1.990 -2.796 + 1026TIP3 H2 9388 -3.002 -1.876 -2.884 + 1027TIP3 OH2 9389 -2.814 -1.504 -4.252 + 1027TIP3 H1 9390 -2.861 -1.517 -4.336 + 1027TIP3 H2 9391 -2.783 -1.414 -4.265 + 1028TIP3 OH2 9392 -3.334 -2.123 -4.191 + 1028TIP3 H1 9393 -3.392 -2.103 -4.117 + 1028TIP3 H2 9394 -3.388 -2.182 -4.245 + 1029TIP3 OH2 9395 -3.760 -1.830 -3.147 + 1029TIP3 H1 9396 -3.821 -1.819 -3.072 + 1029TIP3 H2 9397 -3.757 -1.739 -3.183 + 1030TIP3 OH2 9398 -3.769 -1.821 -3.661 + 1030TIP3 H1 9399 -3.865 -1.829 -3.673 + 1030TIP3 H2 9400 -3.738 -1.837 -3.751 + 1031TIP3 OH2 9401 -3.221 -1.782 -3.797 + 1031TIP3 H1 9402 -3.253 -1.692 -3.821 + 1031TIP3 H2 9403 -3.144 -1.790 -3.856 + 1032TIP3 OH2 9404 -3.279 -1.751 -2.649 + 1032TIP3 H1 9405 -3.336 -1.820 -2.609 + 1032TIP3 H2 9406 -3.195 -1.765 -2.601 + 1033TIP3 OH2 9407 -3.122 -1.827 -3.507 + 1033TIP3 H1 9408 -3.153 -1.768 -3.579 + 1033TIP3 H2 9409 -3.102 -1.907 -3.559 + 1034TIP3 OH2 9410 -4.019 -1.816 -2.966 + 1034TIP3 H1 9411 -4.002 -1.773 -2.882 + 1034TIP3 H2 9412 -4.051 -1.903 -2.938 + 1035TIP3 OH2 9413 -3.652 -2.076 -4.308 + 1035TIP3 H1 9414 -3.699 -2.101 -4.228 + 1035TIP3 H2 9415 -3.720 -2.021 -4.352 + 1036TIP3 OH2 9416 -4.321 -2.046 -3.596 + 1036TIP3 H1 9417 -4.305 -2.076 -3.505 + 1036TIP3 H2 9418 -4.287 -2.120 -3.647 + 1037TIP3 OH2 9419 -4.207 -2.028 -4.043 + 1037TIP3 H1 9420 -4.148 -1.985 -4.107 + 1037TIP3 H2 9421 -4.275 -1.961 -4.032 + 1038TIP3 OH2 9422 -3.206 -1.657 -3.053 + 1038TIP3 H1 9423 -3.165 -1.730 -3.106 + 1038TIP3 H2 9424 -3.248 -1.708 -2.981 + 1039TIP3 OH2 9425 -3.504 -2.072 -3.572 + 1039TIP3 H1 9426 -3.595 -2.067 -3.535 + 1039TIP3 H2 9427 -3.451 -2.084 -3.492 + 1040TIP3 OH2 9428 -4.029 -1.945 -3.682 + 1040TIP3 H1 9429 -4.103 -1.915 -3.740 + 1040TIP3 H2 9430 -4.003 -2.028 -3.725 + 1041TIP3 OH2 9431 -3.669 -1.909 -3.930 + 1041TIP3 H1 9432 -3.575 -1.887 -3.924 + 1041TIP3 H2 9433 -3.702 -1.844 -3.996 + 1042TIP3 OH2 9434 -3.057 -2.150 -3.260 + 1042TIP3 H1 9435 -3.115 -2.151 -3.181 + 1042TIP3 H2 9436 -3.119 -2.179 -3.329 + 1043TIP3 OH2 9437 -3.809 -1.794 -4.156 + 1043TIP3 H1 9438 -3.876 -1.835 -4.213 + 1043TIP3 H2 9439 -3.741 -1.767 -4.219 + 1044TIP3 OH2 9440 -2.742 -0.582 -2.592 + 1044TIP3 H1 9441 -2.731 -0.524 -2.669 + 1044TIP3 H2 9442 -2.692 -0.533 -2.525 + 1045TIP3 OH2 9443 -3.966 -1.342 -2.639 + 1045TIP3 H1 9444 -3.895 -1.293 -2.593 + 1045TIP3 H2 9445 -4.042 -1.303 -2.593 + 1046TIP3 OH2 9446 -3.390 -1.811 -3.377 + 1046TIP3 H1 9447 -3.312 -1.851 -3.418 + 1046TIP3 H2 9448 -3.406 -1.869 -3.300 + 1047TIP3 OH2 9449 -3.868 -2.176 -3.751 + 1047TIP3 H1 9450 -3.926 -2.254 -3.750 + 1047TIP3 H2 9451 -3.810 -2.194 -3.826 + 1048TIP3 OH2 9452 -3.488 -1.961 -3.151 + 1048TIP3 H1 9453 -3.569 -1.906 -3.148 + 1048TIP3 H2 9454 -3.443 -1.936 -3.068 + 1049TIP3 OH2 9455 -3.472 -1.329 -3.959 + 1049TIP3 H1 9456 -3.552 -1.373 -3.995 + 1049TIP3 H2 9457 -3.496 -1.318 -3.864 + 1050TIP3 OH2 9458 -2.763 -1.383 -3.058 + 1050TIP3 H1 9459 -2.712 -1.329 -3.121 + 1050TIP3 H2 9460 -2.843 -1.402 -3.111 + 1051TIP3 OH2 9461 -3.070 -2.057 -4.172 + 1051TIP3 H1 9462 -3.166 -2.047 -4.183 + 1051TIP3 H2 9463 -3.043 -1.977 -4.123 + 1052TIP3 OH2 9464 -3.300 -1.326 -2.829 + 1052TIP3 H1 9465 -3.342 -1.359 -2.747 + 1052TIP3 H2 9466 -3.333 -1.234 -2.830 + 1053TIP3 OH2 9467 -3.002 -1.863 -3.988 + 1053TIP3 H1 9468 -2.915 -1.880 -3.945 + 1053TIP3 H2 9469 -2.988 -1.774 -4.027 + 1054TIP3 OH2 9470 -3.982 -1.398 -3.394 + 1054TIP3 H1 9471 -3.909 -1.399 -3.457 + 1054TIP3 H2 9472 -3.963 -1.475 -3.338 + 1055TIP3 OH2 9473 -3.234 -1.190 -4.069 + 1055TIP3 H1 9474 -3.262 -1.102 -4.038 + 1055TIP3 H2 9475 -3.311 -1.243 -4.042 + 1056TIP3 OH2 9476 -4.234 -1.543 -2.824 + 1056TIP3 H1 9477 -4.233 -1.605 -2.749 + 1056TIP3 H2 9478 -4.286 -1.592 -2.891 + 1057TIP3 OH2 9479 -3.543 -1.607 -2.649 + 1057TIP3 H1 9480 -3.578 -1.632 -2.737 + 1057TIP3 H2 9481 -3.448 -1.628 -2.660 + 1058TIP3 OH2 9482 -2.530 -1.850 -3.998 + 1058TIP3 H1 9483 -2.592 -1.870 -4.070 + 1058TIP3 H2 9484 -2.517 -1.756 -4.016 + 1059TIP3 OH2 9485 -2.514 -1.255 -2.746 + 1059TIP3 H1 9486 -2.604 -1.235 -2.776 + 1059TIP3 H2 9487 -2.468 -1.271 -2.831 + 1060TIP3 OH2 9488 -2.708 -0.997 -3.992 + 1060TIP3 H1 9489 -2.736 -1.072 -3.939 + 1060TIP3 H2 9490 -2.673 -1.038 -4.072 + 1061TIP3 OH2 9491 -2.984 -1.468 -3.242 + 1061TIP3 H1 9492 -3.076 -1.484 -3.273 + 1061TIP3 H2 9493 -2.936 -1.536 -3.294 + 1062TIP3 OH2 9494 -3.725 -1.058 -3.658 + 1062TIP3 H1 9495 -3.687 -0.969 -3.663 + 1062TIP3 H2 9496 -3.819 -1.039 -3.671 + 1063TIP3 OH2 9497 -4.158 -1.563 -4.191 + 1063TIP3 H1 9498 -4.083 -1.504 -4.167 + 1063TIP3 H2 9499 -4.232 -1.506 -4.170 + 1064TIP3 OH2 9500 -3.543 -1.287 -3.692 + 1064TIP3 H1 9501 -3.573 -1.196 -3.676 + 1064TIP3 H2 9502 -3.615 -1.337 -3.650 + 1065TIP3 OH2 9503 -3.522 -0.863 -3.057 + 1065TIP3 H1 9504 -3.468 -0.786 -3.080 + 1065TIP3 H2 9505 -3.467 -0.908 -2.991 + 1066TIP3 OH2 9506 -3.681 -0.766 -3.737 + 1066TIP3 H1 9507 -3.777 -0.754 -3.723 + 1066TIP3 H2 9508 -3.647 -0.679 -3.707 + 1067TIP3 OH2 9509 -3.156 -1.280 -3.070 + 1067TIP3 H1 9510 -3.207 -1.317 -2.995 + 1067TIP3 H2 9511 -3.106 -1.357 -3.103 + 1068TIP3 OH2 9512 -2.970 -1.162 -4.195 + 1068TIP3 H1 9513 -2.921 -1.204 -4.121 + 1068TIP3 H2 9514 -3.060 -1.167 -4.159 + 1069TIP3 OH2 9515 -2.908 -0.862 -2.880 + 1069TIP3 H1 9516 -2.986 -0.849 -2.939 + 1069TIP3 H2 9517 -2.859 -0.780 -2.904 + 1070TIP3 OH2 9518 -2.480 -0.712 -4.160 + 1070TIP3 H1 9519 -2.411 -0.644 -4.144 + 1070TIP3 H2 9520 -2.560 -0.661 -4.135 + 1071TIP3 OH2 9521 -4.100 -2.086 -2.888 + 1071TIP3 H1 9522 -4.186 -2.046 -2.910 + 1071TIP3 H2 9523 -4.123 -2.170 -2.845 + 1072TIP3 OH2 9524 -2.871 -1.299 -3.970 + 1072TIP3 H1 9525 -2.898 -1.368 -3.906 + 1072TIP3 H2 9526 -2.774 -1.300 -3.960 + 1073TIP3 OH2 9527 -4.122 -0.904 -3.032 + 1073TIP3 H1 9528 -4.111 -0.999 -3.045 + 1073TIP3 H2 9529 -4.080 -0.899 -2.945 + 1074TIP3 OH2 9530 -3.520 -1.054 -4.326 + 1074TIP3 H1 9531 -3.484 -1.140 -4.354 + 1074TIP3 H2 9532 -3.575 -1.081 -4.250 + 1075TIP3 OH2 9533 -3.663 -1.099 -4.077 + 1075TIP3 H1 9534 -3.616 -1.150 -4.010 + 1075TIP3 H2 9535 -3.646 -1.007 -4.049 + 1076TIP3 OH2 9536 -3.983 -1.363 -4.035 + 1076TIP3 H1 9537 -4.060 -1.323 -3.988 + 1076TIP3 H2 9538 -3.941 -1.282 -4.067 + 1077TIP3 OH2 9539 -3.205 -2.118 -3.037 + 1077TIP3 H1 9540 -3.149 -2.077 -2.970 + 1077TIP3 H2 9541 -3.263 -2.176 -2.986 + 1078TIP3 OH2 9542 -3.163 -2.175 -3.915 + 1078TIP3 H1 9543 -3.136 -2.126 -3.994 + 1078TIP3 H2 9544 -3.116 -2.127 -3.845 + 1079TIP3 OH2 9545 -3.368 -0.941 -4.029 + 1079TIP3 H1 9546 -3.446 -0.890 -4.001 + 1079TIP3 H2 9547 -3.317 -0.873 -4.073 + 1080TIP3 OH2 9548 -3.398 -2.015 -3.822 + 1080TIP3 H1 9549 -3.338 -1.937 -3.823 + 1080TIP3 H2 9550 -3.443 -2.002 -3.735 + 1081TIP3 OH2 9551 -3.361 -1.874 -2.901 + 1081TIP3 H1 9552 -3.365 -1.822 -2.819 + 1081TIP3 H2 9553 -3.313 -1.952 -2.869 + 1082TIP3 OH2 9554 -3.648 -0.822 -4.025 + 1082TIP3 H1 9555 -3.645 -0.736 -4.071 + 1082TIP3 H2 9556 -3.663 -0.794 -3.932 + 1083TIP3 OH2 9557 -3.761 -2.162 -4.054 + 1083TIP3 H1 9558 -3.757 -2.075 -4.011 + 1083TIP3 H2 9559 -3.670 -2.194 -4.049 + 1084TIP3 OH2 9560 -2.740 -2.070 -2.814 + 1084TIP3 H1 9561 -2.837 -2.061 -2.826 + 1084TIP3 H2 9562 -2.716 -2.096 -2.904 + 1085TIP3 OH2 9563 -2.889 -1.688 -3.409 + 1085TIP3 H1 9564 -2.972 -1.732 -3.435 + 1085TIP3 H2 9565 -2.841 -1.759 -3.361 + 1086TIP3 OH2 9566 -3.934 -1.060 -4.162 + 1086TIP3 H1 9567 -3.853 -1.038 -4.113 + 1086TIP3 H2 9568 -3.898 -1.120 -4.229 + 1087TIP3 OH2 9569 -4.099 -1.848 -4.260 + 1087TIP3 H1 9570 -4.105 -1.753 -4.239 + 1087TIP3 H2 9571 -4.189 -1.867 -4.291 + 1088TIP3 OH2 9572 -2.779 -0.805 -3.261 + 1088TIP3 H1 9573 -2.807 -0.729 -3.316 + 1088TIP3 H2 9574 -2.686 -0.781 -3.247 + 1089TIP3 OH2 9575 -4.023 -2.364 -3.374 + 1089TIP3 H1 9576 -4.060 -2.362 -3.465 + 1089TIP3 H2 9577 -4.069 -2.441 -3.335 + 1090TIP3 OH2 9578 -4.132 -0.984 -3.741 + 1090TIP3 H1 9579 -4.228 -0.966 -3.736 + 1090TIP3 H2 9580 -4.109 -0.957 -3.831 + 1091TIP3 OH2 9581 -4.213 -0.711 -2.635 + 1091TIP3 H1 9582 -4.146 -0.704 -2.563 + 1091TIP3 H2 9583 -4.215 -0.808 -2.642 + 1092TIP3 OH2 9584 -3.704 -0.792 -2.461 + 1092TIP3 H1 9585 -3.655 -0.866 -2.424 + 1092TIP3 H2 9586 -3.744 -0.836 -2.538 + 1093TIP3 OH2 9587 -3.305 -0.870 -4.333 + 1093TIP3 H1 9588 -3.386 -0.925 -4.326 + 1093TIP3 H2 9589 -3.240 -0.939 -4.352 + 1094TIP3 OH2 9590 -3.044 -1.018 -2.631 + 1094TIP3 H1 9591 -3.117 -1.067 -2.588 + 1094TIP3 H2 9592 -3.013 -0.965 -2.555 + 1095TIP3 OH2 9593 -2.918 -0.900 -4.289 + 1095TIP3 H1 9594 -2.893 -0.981 -4.242 + 1095TIP3 H2 9595 -2.833 -0.861 -4.315 + 1096TIP3 OH2 9596 -4.216 -1.322 -2.548 + 1096TIP3 H1 9597 -4.182 -1.394 -2.604 + 1096TIP3 H2 9598 -4.276 -1.275 -2.607 + 1097TIP3 OH2 9599 -3.775 -1.296 -4.307 + 1097TIP3 H1 9600 -3.754 -1.359 -4.236 + 1097TIP3 H2 9601 -3.703 -1.306 -4.370 + 1098TIP3 OH2 9602 -3.526 -1.317 -2.614 + 1098TIP3 H1 9603 -3.598 -1.292 -2.673 + 1098TIP3 H2 9604 -3.534 -1.414 -2.607 + 1099TIP3 OH2 9605 -3.245 -1.190 -4.348 + 1099TIP3 H1 9606 -3.231 -1.177 -4.252 + 1099TIP3 H2 9607 -3.180 -1.258 -4.370 + 1100TIP3 OH2 9608 -4.139 -1.661 -2.583 + 1100TIP3 H1 9609 -4.052 -1.704 -2.595 + 1100TIP3 H2 9610 -4.122 -1.607 -2.505 + 1101TIP3 OH2 9611 -3.674 -1.498 -4.091 + 1101TIP3 H1 9612 -3.737 -1.540 -4.030 + 1101TIP3 H2 9613 -3.641 -1.573 -4.143 + 1102TIP3 OH2 9614 -3.747 -1.723 -2.853 + 1102TIP3 H1 9615 -3.806 -1.647 -2.835 + 1102TIP3 H2 9616 -3.686 -1.685 -2.918 + 1103TIP3 OH2 9617 -3.553 -1.695 -4.270 + 1103TIP3 H1 9618 -3.556 -1.708 -4.365 + 1103TIP3 H2 9619 -3.457 -1.691 -4.253 + 1104TIP3 OH2 9620 -3.228 -1.456 -2.502 + 1104TIP3 H1 9621 -3.137 -1.473 -2.531 + 1104TIP3 H2 9622 -3.247 -1.536 -2.450 + 1105TIP3 OH2 9623 -3.690 -1.994 -2.741 + 1105TIP3 H1 9624 -3.684 -2.059 -2.812 + 1105TIP3 H2 9625 -3.712 -1.913 -2.789 + 1106TIP3 OH2 9626 -3.656 -2.146 -2.997 + 1106TIP3 H1 9627 -3.608 -2.093 -3.063 + 1106TIP3 H2 9628 -3.748 -2.144 -3.031 + 1107TIP3 OH2 9629 -3.501 -1.601 -2.957 + 1107TIP3 H1 9630 -3.418 -1.607 -3.006 + 1107TIP3 H2 9631 -3.536 -1.515 -2.988 + 1108TIP3 OH2 9632 -3.042 -1.826 -2.485 + 1108TIP3 H1 9633 -3.028 -1.918 -2.459 + 1108TIP3 H2 9634 -2.958 -1.786 -2.456 + 1109TIP3 OH2 9635 -2.957 -1.512 -2.657 + 1109TIP3 H1 9636 -2.974 -1.435 -2.712 + 1109TIP3 H2 9637 -2.862 -1.529 -2.675 + 1110TIP3 OH2 9638 -3.881 -1.805 -2.565 + 1110TIP3 H1 9639 -3.930 -1.889 -2.566 + 1110TIP3 H2 9640 -3.797 -1.829 -2.606 + 1111TIP3 OH2 9641 -3.604 -2.420 -2.962 + 1111TIP3 H1 9642 -3.608 -2.325 -2.976 + 1111TIP3 H2 9643 -3.671 -2.457 -3.024 + 1112TIP3 OH2 9644 -3.456 -1.956 -2.584 + 1112TIP3 H1 9645 -3.486 -1.978 -2.494 + 1112TIP3 H2 9646 -3.538 -1.976 -2.634 + 1113TIP3 OH2 9647 -3.202 -2.064 -2.693 + 1113TIP3 H1 9648 -3.289 -2.049 -2.652 + 1113TIP3 H2 9649 -3.154 -2.105 -2.618 + 1114TIP3 OH2 9650 -3.030 -2.165 -2.463 + 1114TIP3 H1 9651 -3.041 -2.262 -2.469 + 1114TIP3 H2 9652 -3.066 -2.146 -2.375 + 1115TIP3 OH2 9653 -4.017 -2.059 -2.579 + 1115TIP3 H1 9654 -4.016 -2.132 -2.643 + 1115TIP3 H2 9655 -4.032 -2.105 -2.495 + 1116TIP3 OH2 9656 -3.601 -2.463 -2.677 + 1116TIP3 H1 9657 -3.541 -2.539 -2.673 + 1116TIP3 H2 9658 -3.600 -2.446 -2.774 + 1117TIP3 OH2 9659 -3.500 -2.276 -2.491 + 1117TIP3 H1 9660 -3.533 -2.335 -2.561 + 1117TIP3 H2 9661 -3.570 -2.208 -2.486 + 1118TIP3 OH2 9662 -3.594 -0.573 -4.172 + 1118TIP3 H1 9663 -3.499 -0.560 -4.160 + 1118TIP3 H2 9664 -3.616 -0.512 -4.245 + 1119TIP3 OH2 9665 -4.187 -1.161 -4.193 + 1119TIP3 H1 9666 -4.105 -1.109 -4.179 + 1119TIP3 H2 9667 -4.189 -1.173 -4.288 + 1120TIP3 OH2 9668 -4.272 -0.801 -3.522 + 1120TIP3 H1 9669 -4.275 -0.893 -3.488 + 1120TIP3 H2 9670 -4.245 -0.755 -3.441 + 1121TIP3 OH2 9671 -2.513 -0.693 -3.223 + 1121TIP3 H1 9672 -2.506 -0.688 -3.126 + 1121TIP3 H2 9673 -2.429 -0.654 -3.250 + 1122TIP3 OH2 9674 -2.549 -0.764 -2.942 + 1122TIP3 H1 9675 -2.595 -0.843 -2.973 + 1122TIP3 H2 9676 -2.487 -0.801 -2.878 + 1123TIP3 OH2 9677 -2.743 -1.186 -2.521 + 1123TIP3 H1 9678 -2.820 -1.191 -2.461 + 1123TIP3 H2 9679 -2.686 -1.121 -2.475 + 1124TIP3 OH2 9680 -2.586 -1.316 -3.930 + 1124TIP3 H1 9681 -2.497 -1.280 -3.917 + 1124TIP3 H2 9682 -2.590 -1.379 -3.856 + 1125TIP3 OH2 9683 -2.541 -1.515 -3.732 + 1125TIP3 H1 9684 -2.607 -1.571 -3.687 + 1125TIP3 H2 9685 -2.472 -1.502 -3.664 + 1126TIP3 OH2 9686 -2.566 -1.265 -3.235 + 1126TIP3 H1 9687 -2.505 -1.314 -3.291 + 1126TIP3 H2 9688 -2.553 -1.174 -3.267 + 1127TIP3 OH2 9689 -2.514 -1.549 -4.107 + 1127TIP3 H1 9690 -2.574 -1.517 -4.176 + 1127TIP3 H2 9691 -2.530 -1.482 -4.038 + 1128TIP3 OH2 9692 -2.694 -1.810 -4.216 + 1128TIP3 H1 9693 -2.660 -1.731 -4.261 + 1128TIP3 H2 9694 -2.642 -1.880 -4.257 + 1129TIP3 OH2 9695 -2.750 -1.700 -3.651 + 1129TIP3 H1 9696 -2.754 -1.796 -3.664 + 1129TIP3 H2 9697 -2.785 -1.691 -3.560 + 1130TIP3 OH2 9698 -4.257 -1.451 -3.256 + 1130TIP3 H1 9699 -4.220 -1.426 -3.342 + 1130TIP3 H2 9700 -4.178 -1.493 -3.214 + 1131TIP3 OH2 9701 -2.689 -1.499 -2.734 + 1131TIP3 H1 9702 -2.628 -1.575 -2.721 + 1131TIP3 H2 9703 -2.626 -1.429 -2.751 + 1132TIP3 OH2 9704 -2.529 -1.693 -2.627 + 1132TIP3 H1 9705 -2.607 -1.751 -2.644 + 1132TIP3 H2 9706 -2.458 -1.759 -2.620 + 1133TIP3 OH2 9707 -2.766 -2.145 -4.336 + 1133TIP3 H1 9708 -2.699 -2.149 -4.265 + 1133TIP3 H2 9709 -2.850 -2.161 -4.292 + 1134TIP3 OH2 9710 -2.768 -1.947 -3.838 + 1134TIP3 H1 9711 -2.739 -2.040 -3.828 + 1134TIP3 H2 9712 -2.686 -1.907 -3.872 + 1135TIP3 OH2 9713 -2.737 -1.887 -3.289 + 1135TIP3 H1 9714 -2.640 -1.878 -3.291 + 1135TIP3 H2 9715 -2.751 -1.886 -3.193 + 1136TIP3 OH2 9716 -2.720 -1.820 -3.010 + 1136TIP3 H1 9717 -2.805 -1.782 -2.980 + 1136TIP3 H2 9718 -2.668 -1.740 -3.030 + 1137TIP3 OH2 9719 -4.285 -1.959 -2.650 + 1137TIP3 H1 9720 -4.195 -1.995 -2.642 + 1137TIP3 H2 9721 -4.342 -2.033 -2.624 + 1138TIP3 OH2 9722 -2.464 -2.403 -2.479 + 1138TIP3 H1 9723 -2.424 -2.473 -2.533 + 1138TIP3 H2 9724 -2.459 -2.326 -2.538 + 1139TIP3 OH2 9725 -2.715 -2.219 -3.829 + 1139TIP3 H1 9726 -2.692 -2.260 -3.743 + 1139TIP3 H2 9727 -2.787 -2.277 -3.859 + 1140TIP3 OH2 9728 -4.194 -2.099 -3.333 + 1140TIP3 H1 9729 -4.161 -2.190 -3.330 + 1140TIP3 H2 9730 -4.116 -2.046 -3.311 + 1141TIP3 OH2 9731 -4.332 -1.840 -3.244 + 1141TIP3 H1 9732 -4.293 -1.886 -3.320 + 1141TIP3 H2 9733 -4.329 -1.747 -3.273 + 1142TIP3 OH2 9734 -2.516 -2.201 -2.663 + 1142TIP3 H1 9735 -2.603 -2.164 -2.637 + 1142TIP3 H2 9736 -2.541 -2.256 -2.739 + 1143TIP3 OH2 9737 -2.513 -2.181 -4.180 + 1143TIP3 H1 9738 -2.485 -2.257 -4.232 + 1143TIP3 H2 9739 -2.428 -2.135 -4.169 + 1144TIP3 OH2 9740 -4.316 -2.226 -3.895 + 1144TIP3 H1 9741 -4.401 -2.199 -3.931 + 1144TIP3 H2 9742 -4.258 -2.158 -3.936 + 1145TIP3 OH2 9743 -2.830 -0.687 -3.643 + 1145TIP3 H1 9744 -2.776 -0.709 -3.720 + 1145TIP3 H2 9745 -2.766 -0.642 -3.585 + 1146TIP3 OH2 9746 -4.292 -2.332 -3.059 + 1146TIP3 H1 9747 -4.359 -2.339 -2.987 + 1146TIP3 H2 9748 -4.336 -2.280 -3.128 + 1147TIP3 OH2 9749 -3.808 -0.910 -3.021 + 1147TIP3 H1 9750 -3.830 -0.817 -3.040 + 1147TIP3 H2 9751 -3.713 -0.902 -3.003 + 1148TIP3 OH2 9752 -3.345 -0.788 -2.703 + 1148TIP3 H1 9753 -3.344 -0.797 -2.606 + 1148TIP3 H2 9754 -3.266 -0.734 -2.720 + 1149TIP3 OH2 9755 -3.116 -0.642 -2.779 + 1149TIP3 H1 9756 -3.049 -0.710 -2.789 + 1149TIP3 H2 9757 -3.090 -0.602 -2.694 + 1150TIP3 OH2 9758 -2.639 -2.376 -2.858 + 1150TIP3 H1 9759 -2.721 -2.359 -2.907 + 1150TIP3 H2 9760 -2.617 -2.467 -2.889 + 1151TIP3 OH2 9761 -4.076 -0.560 -2.935 + 1151TIP3 H1 9762 -4.137 -0.554 -3.010 + 1151TIP3 H2 9763 -4.105 -0.640 -2.889 + 1152TIP3 OH2 9764 -3.819 -0.635 -3.111 + 1152TIP3 H1 9765 -3.901 -0.612 -3.065 + 1152TIP3 H2 9766 -3.815 -0.569 -3.183 + 1153TIP3 OH2 9767 -3.338 -0.640 -3.156 + 1153TIP3 H1 9768 -3.379 -0.593 -3.231 + 1153TIP3 H2 9769 -3.332 -0.567 -3.091 + 1154TIP3 OH2 9770 -3.107 -0.772 -3.062 + 1154TIP3 H1 9771 -3.192 -0.734 -3.093 + 1154TIP3 H2 9772 -3.052 -0.692 -3.062 + 1155TIP3 OH2 9773 -2.854 -0.598 -3.043 + 1155TIP3 H1 9774 -2.858 -0.501 -3.058 + 1155TIP3 H2 9775 -2.827 -0.627 -3.131 + 1156TIP3 OH2 9776 -4.116 -0.726 -3.267 + 1156TIP3 H1 9777 -4.132 -0.783 -3.188 + 1156TIP3 H2 9778 -4.049 -0.780 -3.314 + 1157TIP3 OH2 9779 -3.909 -0.862 -3.426 + 1157TIP3 H1 9780 -3.927 -0.953 -3.394 + 1157TIP3 H2 9781 -3.821 -0.846 -3.387 + 1158TIP3 OH2 9782 -3.627 -0.816 -3.339 + 1158TIP3 H1 9783 -3.615 -0.910 -3.360 + 1158TIP3 H2 9784 -3.625 -0.820 -3.242 + 1159TIP3 OH2 9785 -3.295 -2.226 -3.439 + 1159TIP3 H1 9786 -3.351 -2.291 -3.394 + 1159TIP3 H2 9787 -3.219 -2.280 -3.468 + 1160TIP3 OH2 9788 -2.802 -2.421 -3.362 + 1160TIP3 H1 9789 -2.722 -2.386 -3.404 + 1160TIP3 H2 9790 -2.874 -2.381 -3.413 + 1161TIP3 OH2 9791 -2.596 -2.305 -3.577 + 1161TIP3 H1 9792 -2.527 -2.357 -3.621 + 1161TIP3 H2 9793 -2.554 -2.217 -3.570 + 1162TIP3 OH2 9794 -4.101 -2.368 -3.661 + 1162TIP3 H1 9795 -4.180 -2.394 -3.710 + 1162TIP3 H2 9796 -4.047 -2.449 -3.665 + 1163TIP3 OH2 9797 -4.177 -2.400 -4.081 + 1163TIP3 H1 9798 -4.134 -2.330 -4.134 + 1163TIP3 H2 9799 -4.230 -2.346 -4.019 + 1164TIP3 OH2 9800 -3.047 -2.368 -3.520 + 1164TIP3 H1 9801 -3.042 -2.368 -3.618 + 1164TIP3 H2 9802 -3.074 -2.458 -3.498 + 1165TIP3 OH2 9803 -2.943 -2.365 -3.925 + 1165TIP3 H1 9804 -3.023 -2.313 -3.945 + 1165TIP3 H2 9805 -2.974 -2.456 -3.933 + 1166TIP3 OH2 9806 -4.178 -0.804 -3.992 + 1166TIP3 H1 9807 -4.266 -0.825 -4.027 + 1166TIP3 H2 9808 -4.186 -0.711 -3.971 + 1167TIP3 OH2 9809 -4.001 -2.219 -4.233 + 1167TIP3 H1 9810 -3.950 -2.290 -4.274 + 1167TIP3 H2 9811 -3.939 -2.184 -4.167 + 1168TIP3 OH2 9812 -3.298 -0.646 -4.146 + 1168TIP3 H1 9813 -3.200 -0.634 -4.150 + 1168TIP3 H2 9814 -3.308 -0.708 -4.221 + 1169TIP3 OH2 9815 -2.633 -0.727 -3.885 + 1169TIP3 H1 9816 -2.666 -0.810 -3.927 + 1169TIP3 H2 9817 -2.658 -0.660 -3.952 + 1170TIP3 OH2 9818 -4.079 -2.330 -2.703 + 1170TIP3 H1 9819 -4.124 -2.405 -2.662 + 1170TIP3 H2 9820 -3.988 -2.345 -2.672 + 1171TIP3 OH2 9821 -3.845 -2.392 -2.527 + 1171TIP3 H1 9822 -3.762 -2.426 -2.566 + 1171TIP3 H2 9823 -3.878 -2.472 -2.482 + 1172TIP3 OH2 9824 -3.980 -0.703 -4.245 + 1172TIP3 H1 9825 -4.020 -0.679 -4.160 + 1172TIP3 H2 9826 -3.918 -0.772 -4.220 + 1173TIP3 OH2 9827 -3.031 -2.460 -2.509 + 1173TIP3 H1 9828 -3.029 -2.507 -2.423 + 1173TIP3 H2 9829 -2.937 -2.464 -2.535 + 1174TIP3 OH2 9830 -2.693 -0.849 -2.649 + 1174TIP3 H1 9831 -2.778 -0.859 -2.692 + 1174TIP3 H2 9832 -2.699 -0.755 -2.619 + 1175TIP3 OH2 9833 -1.274 -1.482 -3.628 + 1175TIP3 H1 9834 -1.276 -1.386 -3.614 + 1175TIP3 H2 9835 -1.352 -1.495 -3.684 + 1176TIP3 OH2 9836 -1.390 -1.537 -3.320 + 1176TIP3 H1 9837 -1.390 -1.592 -3.240 + 1176TIP3 H2 9838 -1.417 -1.600 -3.388 + 1177TIP3 OH2 9839 -2.142 -1.578 -3.152 + 1177TIP3 H1 9840 -2.143 -1.654 -3.091 + 1177TIP3 H2 9841 -2.071 -1.525 -3.114 + 1178TIP3 OH2 9842 -1.022 -1.262 -3.488 + 1178TIP3 H1 9843 -1.058 -1.334 -3.435 + 1178TIP3 H2 9844 -0.993 -1.201 -3.419 + 1179TIP3 OH2 9845 -2.077 -1.114 -3.305 + 1179TIP3 H1 9846 -2.100 -1.206 -3.329 + 1179TIP3 H2 9847 -1.984 -1.126 -3.279 + 1180TIP3 OH2 9848 -2.376 -1.774 -3.763 + 1180TIP3 H1 9849 -2.417 -1.686 -3.753 + 1180TIP3 H2 9850 -2.446 -1.823 -3.808 + 1181TIP3 OH2 9851 -2.297 -1.529 -3.579 + 1181TIP3 H1 9852 -2.282 -1.612 -3.530 + 1181TIP3 H2 9853 -2.212 -1.518 -3.625 + 1182TIP3 OH2 9854 -1.315 -0.726 -3.432 + 1182TIP3 H1 9855 -1.257 -0.799 -3.463 + 1182TIP3 H2 9856 -1.343 -0.758 -3.345 + 1183TIP3 OH2 9857 -1.541 -1.286 -3.264 + 1183TIP3 H1 9858 -1.508 -1.359 -3.319 + 1183TIP3 H2 9859 -1.460 -1.270 -3.211 + 1184TIP3 OH2 9860 -0.674 -2.135 -3.199 + 1184TIP3 H1 9861 -0.650 -2.073 -3.128 + 1184TIP3 H2 9862 -0.613 -2.105 -3.270 + 1185TIP3 OH2 9863 -1.210 -1.852 -3.213 + 1185TIP3 H1 9864 -1.197 -1.948 -3.206 + 1185TIP3 H2 9865 -1.220 -1.841 -3.309 + 1186TIP3 OH2 9866 -1.914 -2.052 -3.505 + 1186TIP3 H1 9867 -1.899 -1.967 -3.550 + 1186TIP3 H2 9868 -1.949 -2.105 -3.579 + 1187TIP3 OH2 9869 -1.130 -2.036 -3.674 + 1187TIP3 H1 9870 -1.073 -2.080 -3.608 + 1187TIP3 H2 9871 -1.064 -1.992 -3.730 + 1188TIP3 OH2 9872 -2.244 -1.778 -3.454 + 1188TIP3 H1 9873 -2.181 -1.826 -3.397 + 1188TIP3 H2 9874 -2.236 -1.828 -3.537 + 1189TIP3 OH2 9875 -1.706 -1.640 -3.509 + 1189TIP3 H1 9876 -1.636 -1.694 -3.469 + 1189TIP3 H2 9877 -1.757 -1.707 -3.559 + 1190TIP3 OH2 9878 -0.601 -1.997 -2.951 + 1190TIP3 H1 9879 -0.660 -1.925 -2.980 + 1190TIP3 H2 9880 -0.620 -1.998 -2.856 + 1191TIP3 OH2 9881 -2.033 -2.172 -3.089 + 1191TIP3 H1 9882 -2.075 -2.122 -3.161 + 1191TIP3 H2 9883 -2.098 -2.161 -3.018 + 1192TIP3 OH2 9884 -1.281 -1.194 -3.752 + 1192TIP3 H1 9885 -1.320 -1.221 -3.835 + 1192TIP3 H2 9886 -1.329 -1.111 -3.732 + 1193TIP3 OH2 9887 -1.740 -1.384 -3.077 + 1193TIP3 H1 9888 -1.814 -1.325 -3.051 + 1193TIP3 H2 9889 -1.678 -1.322 -3.119 + 1194TIP3 OH2 9890 -0.945 -2.110 -3.470 + 1194TIP3 H1 9891 -0.987 -2.169 -3.405 + 1194TIP3 H2 9892 -0.894 -2.050 -3.413 + 1195TIP3 OH2 9893 -2.074 -1.967 -3.296 + 1195TIP3 H1 9894 -2.009 -1.911 -3.248 + 1195TIP3 H2 9895 -2.016 -2.004 -3.365 + 1196TIP3 OH2 9896 -1.943 -1.197 -3.006 + 1196TIP3 H1 9897 -1.945 -1.104 -3.033 + 1196TIP3 H2 9898 -2.028 -1.204 -2.959 + 1197TIP3 OH2 9899 -2.312 -1.226 -3.919 + 1197TIP3 H1 9900 -2.330 -1.182 -4.003 + 1197TIP3 H2 9901 -2.295 -1.152 -3.857 + 1198TIP3 OH2 9902 -0.966 -1.083 -3.240 + 1198TIP3 H1 9903 -1.063 -1.070 -3.236 + 1198TIP3 H2 9904 -0.938 -0.996 -3.275 + 1199TIP3 OH2 9905 -0.933 -2.195 -3.085 + 1199TIP3 H1 9906 -1.010 -2.156 -3.130 + 1199TIP3 H2 9907 -0.860 -2.176 -3.148 + 1200TIP3 OH2 9908 -1.619 -2.423 -3.380 + 1200TIP3 H1 9909 -1.642 -2.518 -3.385 + 1200TIP3 H2 9910 -1.702 -2.385 -3.343 + 1201TIP3 OH2 9911 -1.136 -0.887 -3.583 + 1201TIP3 H1 9912 -1.088 -0.967 -3.612 + 1201TIP3 H2 9913 -1.067 -0.819 -3.592 + 1202TIP3 OH2 9914 -0.989 -1.101 -3.722 + 1202TIP3 H1 9915 -1.044 -1.148 -3.786 + 1202TIP3 H2 9916 -0.994 -1.163 -3.646 + 1203TIP3 OH2 9917 -0.835 -1.219 -2.870 + 1203TIP3 H1 9918 -0.846 -1.284 -2.943 + 1203TIP3 H2 9919 -0.824 -1.136 -2.920 + 1204TIP3 OH2 9920 -1.406 -1.531 -3.905 + 1204TIP3 H1 9921 -1.473 -1.470 -3.940 + 1204TIP3 H2 9922 -1.334 -1.523 -3.970 + 1205TIP3 OH2 9923 -1.389 -1.706 -4.207 + 1205TIP3 H1 9924 -1.321 -1.676 -4.144 + 1205TIP3 H2 9925 -1.335 -1.767 -4.262 + 1206TIP3 OH2 9926 -0.660 -1.602 -3.076 + 1206TIP3 H1 9927 -0.732 -1.537 -3.068 + 1206TIP3 H2 9928 -0.612 -1.567 -3.154 + 1207TIP3 OH2 9929 -1.058 -1.529 -3.795 + 1207TIP3 H1 9930 -1.127 -1.509 -3.727 + 1207TIP3 H2 9931 -0.999 -1.586 -3.742 + 1208TIP3 OH2 9932 -1.075 -1.675 -2.909 + 1208TIP3 H1 9933 -1.069 -1.593 -2.858 + 1208TIP3 H2 9934 -1.140 -1.646 -2.976 + 1209TIP3 OH2 9935 -1.899 -1.452 -3.616 + 1209TIP3 H1 9936 -1.929 -1.496 -3.698 + 1209TIP3 H2 9937 -1.834 -1.516 -3.582 + 1210TIP3 OH2 9938 -1.762 -1.110 -3.343 + 1210TIP3 H1 9939 -1.773 -1.152 -3.429 + 1210TIP3 H2 9940 -1.683 -1.157 -3.308 + 1211TIP3 OH2 9941 -1.841 -1.570 -3.267 + 1211TIP3 H1 9942 -1.782 -1.567 -3.345 + 1211TIP3 H2 9943 -1.800 -1.504 -3.208 + 1212TIP3 OH2 9944 -1.245 -1.020 -3.210 + 1212TIP3 H1 9945 -1.244 -0.952 -3.139 + 1212TIP3 H2 9946 -1.268 -1.101 -3.162 + 1213TIP3 OH2 9947 -1.756 -1.139 -2.784 + 1213TIP3 H1 9948 -1.806 -1.073 -2.733 + 1213TIP3 H2 9949 -1.821 -1.165 -2.852 + 1214TIP3 OH2 9950 -1.151 -1.582 -4.057 + 1214TIP3 H1 9951 -1.109 -1.557 -3.972 + 1214TIP3 H2 9952 -1.089 -1.541 -4.121 + 1215TIP3 OH2 9953 -2.063 -1.496 -2.873 + 1215TIP3 H1 9954 -2.058 -1.442 -2.792 + 1215TIP3 H2 9955 -2.159 -1.514 -2.878 + 1216TIP3 OH2 9956 -1.418 -0.923 -3.696 + 1216TIP3 H1 9957 -1.368 -0.898 -3.617 + 1216TIP3 H2 9958 -1.465 -0.842 -3.718 + 1217TIP3 OH2 9959 -1.945 -0.922 -2.702 + 1217TIP3 H1 9960 -1.958 -0.917 -2.798 + 1217TIP3 H2 9961 -2.033 -0.947 -2.669 + 1218TIP3 OH2 9962 -0.811 -2.416 -4.057 + 1218TIP3 H1 9963 -0.908 -2.408 -4.047 + 1218TIP3 H2 9964 -0.790 -2.336 -4.107 + 1219TIP3 OH2 9965 -2.006 -1.577 -3.862 + 1219TIP3 H1 9966 -2.030 -1.502 -3.920 + 1219TIP3 H2 9967 -2.072 -1.643 -3.888 + 1220TIP3 OH2 9968 -0.701 -0.982 -4.256 + 1220TIP3 H1 9969 -0.672 -0.906 -4.203 + 1220TIP3 H2 9970 -0.630 -1.048 -4.239 + 1221TIP3 OH2 9971 -2.405 -1.311 -2.991 + 1221TIP3 H1 9972 -2.442 -1.314 -3.081 + 1221TIP3 H2 9973 -2.385 -1.406 -2.974 + 1222TIP3 OH2 9974 -2.395 -1.019 -3.295 + 1222TIP3 H1 9975 -2.302 -1.047 -3.293 + 1222TIP3 H2 9976 -2.396 -0.952 -3.224 + 1223TIP3 OH2 9977 -0.557 -0.955 -2.721 + 1223TIP3 H1 9978 -0.567 -1.050 -2.739 + 1223TIP3 H2 9979 -0.648 -0.932 -2.691 + 1224TIP3 OH2 9980 -1.492 -1.033 -2.841 + 1224TIP3 H1 9981 -1.484 -0.952 -2.787 + 1224TIP3 H2 9982 -1.582 -1.064 -2.816 + 1225TIP3 OH2 9983 -1.461 -0.654 -3.847 + 1225TIP3 H1 9984 -1.462 -0.642 -3.944 + 1225TIP3 H2 9985 -1.457 -0.562 -3.814 + 1226TIP3 OH2 9986 -2.083 -0.741 -3.681 + 1226TIP3 H1 9987 -2.066 -0.783 -3.594 + 1226TIP3 H2 9988 -2.170 -0.779 -3.702 + 1227TIP3 OH2 9989 -1.138 -0.691 -4.133 + 1227TIP3 H1 9990 -1.094 -0.752 -4.196 + 1227TIP3 H2 9991 -1.138 -0.744 -4.051 + 1228TIP3 OH2 9992 -1.190 -0.766 -3.862 + 1228TIP3 H1 9993 -1.283 -0.749 -3.840 + 1228TIP3 H2 9994 -1.168 -0.834 -3.796 + 1229TIP3 OH2 9995 -0.878 -1.821 -2.677 + 1229TIP3 H1 9996 -0.930 -1.781 -2.749 + 1229TIP3 H2 9997 -0.874 -1.914 -2.706 + 1230TIP3 OH2 9998 -2.184 -1.155 -2.863 + 1230TIP3 H1 9999 -2.154 -1.202 -2.782 + 1230TIP3 H210000 -2.254 -1.214 -2.898 + 1231TIP3 OH210001 -1.862 -2.308 -3.289 + 1231TIP3 H110002 -1.944 -2.315 -3.341 + 1231TIP3 H210003 -1.886 -2.236 -3.229 + 1232TIP3 OH210004 -1.425 -2.351 -2.925 + 1232TIP3 H110005 -1.373 -2.403 -2.861 + 1232TIP3 H210006 -1.516 -2.384 -2.912 + 1233TIP3 OH210007 -1.108 -1.971 -2.872 + 1233TIP3 H110008 -1.170 -1.987 -2.798 + 1233TIP3 H210009 -1.116 -1.875 -2.887 + 1234TIP3 OH210010 -0.929 -1.503 -4.250 + 1234TIP3 H110011 -0.976 -1.520 -4.333 + 1234TIP3 H210012 -0.896 -1.414 -4.268 + 1235TIP3 OH210013 -1.442 -2.112 -4.216 + 1235TIP3 H110014 -1.497 -2.109 -4.137 + 1235TIP3 H210015 -1.488 -2.181 -4.266 + 1236TIP3 OH210016 -1.877 -1.830 -3.150 + 1236TIP3 H110017 -1.931 -1.818 -3.070 + 1236TIP3 H210018 -1.869 -1.738 -3.184 + 1237TIP3 OH210019 -1.882 -1.821 -3.661 + 1237TIP3 H110020 -1.977 -1.833 -3.677 + 1237TIP3 H210021 -1.847 -1.842 -3.750 + 1238TIP3 OH210022 -1.314 -1.768 -3.785 + 1238TIP3 H110023 -1.355 -1.685 -3.818 + 1238TIP3 H210024 -1.250 -1.788 -3.856 + 1239TIP3 OH210025 -1.402 -1.745 -2.647 + 1239TIP3 H110026 -1.453 -1.821 -2.611 + 1239TIP3 H210027 -1.315 -1.759 -2.606 + 1240TIP3 OH210028 -1.235 -1.827 -3.505 + 1240TIP3 H110029 -1.263 -1.769 -3.580 + 1240TIP3 H210030 -1.214 -1.908 -3.556 + 1241TIP3 OH210031 -2.145 -1.811 -2.963 + 1241TIP3 H110032 -2.111 -1.785 -2.877 + 1241TIP3 H210033 -2.177 -1.902 -2.944 + 1242TIP3 OH210034 -1.764 -2.066 -4.311 + 1242TIP3 H110035 -1.801 -2.100 -4.227 + 1242TIP3 H210036 -1.843 -2.021 -4.348 + 1243TIP3 OH210037 -2.456 -2.064 -3.601 + 1243TIP3 H110038 -2.395 -2.069 -3.525 + 1243TIP3 H210039 -2.406 -2.105 -3.673 + 1244TIP3 OH210040 -2.301 -2.023 -4.038 + 1244TIP3 H110041 -2.243 -1.978 -4.101 + 1244TIP3 H210042 -2.366 -1.954 -4.018 + 1245TIP3 OH210043 -1.326 -1.658 -3.059 + 1245TIP3 H110044 -1.282 -1.731 -3.109 + 1245TIP3 H210045 -1.359 -1.706 -2.981 + 1246TIP3 OH210046 -1.604 -2.063 -3.557 + 1246TIP3 H110047 -1.699 -2.068 -3.535 + 1246TIP3 H210048 -1.563 -2.083 -3.471 + 1247TIP3 OH210049 -2.147 -1.941 -3.690 + 1247TIP3 H110050 -2.229 -1.915 -3.736 + 1247TIP3 H210051 -2.118 -2.020 -3.738 + 1248TIP3 OH210052 -1.787 -1.899 -3.920 + 1248TIP3 H110053 -1.690 -1.898 -3.916 + 1248TIP3 H210054 -1.809 -1.843 -3.997 + 1249TIP3 OH210055 -1.166 -2.149 -3.256 + 1249TIP3 H110056 -1.230 -2.148 -3.181 + 1249TIP3 H210057 -1.224 -2.183 -3.326 + 1250TIP3 OH210058 -1.930 -1.784 -4.160 + 1250TIP3 H110059 -1.990 -1.839 -4.213 + 1250TIP3 H210060 -1.854 -1.774 -4.218 + 1251TIP3 OH210061 -0.866 -0.572 -2.590 + 1251TIP3 H110062 -0.842 -0.525 -2.671 + 1251TIP3 H210063 -0.800 -0.538 -2.527 + 1252TIP3 OH210064 -2.075 -1.310 -2.647 + 1252TIP3 H110065 -2.008 -1.302 -2.576 + 1252TIP3 H210066 -2.156 -1.309 -2.593 + 1253TIP3 OH210067 -1.503 -1.808 -3.375 + 1253TIP3 H110068 -1.430 -1.852 -3.420 + 1253TIP3 H210069 -1.520 -1.869 -3.300 + 1254TIP3 OH210070 -1.972 -2.167 -3.762 + 1254TIP3 H110071 -2.027 -2.245 -3.748 + 1254TIP3 H210072 -1.890 -2.206 -3.796 + 1255TIP3 OH210073 -1.605 -1.962 -3.151 + 1255TIP3 H110074 -1.684 -1.905 -3.149 + 1255TIP3 H210075 -1.558 -1.938 -3.069 + 1256TIP3 OH210076 -1.591 -1.324 -3.961 + 1256TIP3 H110077 -1.668 -1.374 -3.995 + 1256TIP3 H210078 -1.611 -1.319 -3.864 + 1257TIP3 OH210079 -0.869 -1.408 -3.087 + 1257TIP3 H110080 -0.820 -1.353 -3.152 + 1257TIP3 H210081 -0.955 -1.419 -3.132 + 1258TIP3 OH210082 -1.175 -2.047 -4.183 + 1258TIP3 H110083 -1.273 -2.051 -4.186 + 1258TIP3 H210084 -1.156 -1.971 -4.125 + 1259TIP3 OH210085 -1.429 -1.323 -2.829 + 1259TIP3 H110086 -1.457 -1.355 -2.742 + 1259TIP3 H210087 -1.458 -1.231 -2.828 + 1260TIP3 OH210088 -1.115 -1.861 -3.988 + 1260TIP3 H110089 -1.029 -1.880 -3.945 + 1260TIP3 H210090 -1.100 -1.775 -4.029 + 1261TIP3 OH210091 -2.079 -1.385 -3.378 + 1261TIP3 H110092 -2.022 -1.396 -3.457 + 1261TIP3 H210093 -2.067 -1.471 -3.333 + 1262TIP3 OH210094 -1.348 -1.189 -4.072 + 1262TIP3 H110095 -1.376 -1.102 -4.038 + 1262TIP3 H210096 -1.423 -1.244 -4.042 + 1263TIP3 OH210097 -2.356 -1.557 -2.853 + 1263TIP3 H110098 -2.338 -1.600 -2.767 + 1263TIP3 H210099 -2.415 -1.622 -2.896 + 1264TIP3 OH210100 -1.655 -1.606 -2.655 + 1264TIP3 H110101 -1.688 -1.632 -2.742 + 1264TIP3 H210102 -1.562 -1.635 -2.661 + 1265TIP3 OH210103 -1.202 -1.064 -2.882 + 1265TIP3 H110104 -1.298 -1.055 -2.887 + 1265TIP3 H210105 -1.185 -1.039 -2.789 + 1266TIP3 OH210106 -0.644 -1.851 -3.999 + 1266TIP3 H110107 -0.707 -1.872 -4.071 + 1266TIP3 H210108 -0.632 -1.757 -4.017 + 1267TIP3 OH210109 -0.603 -1.255 -2.723 + 1267TIP3 H110110 -0.697 -1.233 -2.742 + 1267TIP3 H210111 -0.569 -1.272 -2.813 + 1268TIP3 OH210112 -0.821 -0.996 -3.993 + 1268TIP3 H110113 -0.852 -1.069 -3.938 + 1268TIP3 H210114 -0.786 -1.042 -4.071 + 1269TIP3 OH210115 -1.104 -1.464 -3.257 + 1269TIP3 H110116 -1.197 -1.480 -3.280 + 1269TIP3 H210117 -1.060 -1.537 -3.306 + 1270TIP3 OH210118 -1.840 -1.057 -3.655 + 1270TIP3 H110119 -1.798 -0.970 -3.664 + 1270TIP3 H210120 -1.933 -1.037 -3.674 + 1271TIP3 OH210121 -2.234 -1.565 -4.200 + 1271TIP3 H110122 -2.178 -1.501 -4.152 + 1271TIP3 H210123 -2.323 -1.544 -4.167 + 1272TIP3 OH210124 -1.657 -1.287 -3.692 + 1272TIP3 H110125 -1.689 -1.196 -3.676 + 1272TIP3 H210126 -1.726 -1.338 -3.647 + 1273TIP3 OH210127 -1.641 -0.862 -3.055 + 1273TIP3 H110128 -1.585 -0.786 -3.082 + 1273TIP3 H210129 -1.580 -0.911 -2.998 + 1274TIP3 OH210130 -1.796 -0.766 -3.735 + 1274TIP3 H110131 -1.892 -0.753 -3.724 + 1274TIP3 H210132 -1.761 -0.679 -3.708 + 1275TIP3 OH210133 -1.301 -1.287 -3.098 + 1275TIP3 H110134 -1.329 -1.314 -3.009 + 1275TIP3 H210135 -1.226 -1.347 -3.115 + 1276TIP3 OH210136 -1.082 -1.152 -4.194 + 1276TIP3 H110137 -1.035 -1.200 -4.123 + 1276TIP3 H210138 -1.173 -1.165 -4.163 + 1277TIP3 OH210139 -1.005 -0.831 -2.860 + 1277TIP3 H110140 -1.081 -0.875 -2.900 + 1277TIP3 H210141 -0.996 -0.750 -2.914 + 1278TIP3 OH210142 -0.595 -0.712 -4.161 + 1278TIP3 H110143 -0.524 -0.646 -4.146 + 1278TIP3 H210144 -0.674 -0.660 -4.135 + 1279TIP3 OH210145 -2.220 -2.093 -2.892 + 1279TIP3 H110146 -2.312 -2.067 -2.914 + 1279TIP3 H210147 -2.234 -2.178 -2.847 + 1280TIP3 OH210148 -0.985 -1.297 -3.970 + 1280TIP3 H110149 -1.013 -1.367 -3.908 + 1280TIP3 H210150 -0.888 -1.301 -3.959 + 1281TIP3 OH210151 -2.247 -0.918 -3.049 + 1281TIP3 H110152 -2.213 -1.007 -3.032 + 1281TIP3 H210153 -2.224 -0.873 -2.966 + 1282TIP3 OH210154 -1.634 -1.054 -4.325 + 1282TIP3 H110155 -1.598 -1.139 -4.355 + 1282TIP3 H210156 -1.690 -1.083 -4.251 + 1283TIP3 OH210157 -1.781 -1.099 -4.074 + 1283TIP3 H110158 -1.728 -1.153 -4.014 + 1283TIP3 H210159 -1.758 -1.007 -4.047 + 1284TIP3 OH210160 -2.094 -1.362 -4.038 + 1284TIP3 H110161 -2.168 -1.321 -3.988 + 1284TIP3 H210162 -2.045 -1.284 -4.067 + 1285TIP3 OH210163 -1.323 -2.109 -3.036 + 1285TIP3 H110164 -1.262 -2.082 -2.965 + 1285TIP3 H210165 -1.373 -2.182 -2.995 + 1286TIP3 OH210166 -1.265 -2.152 -3.921 + 1286TIP3 H110167 -1.233 -2.104 -3.998 + 1286TIP3 H210168 -1.213 -2.114 -3.849 + 1287TIP3 OH210169 -1.484 -0.940 -4.029 + 1287TIP3 H110170 -1.561 -0.889 -4.001 + 1287TIP3 H210171 -1.432 -0.873 -4.074 + 1288TIP3 OH210172 -1.521 -1.961 -3.815 + 1288TIP3 H110173 -1.441 -1.906 -3.800 + 1288TIP3 H210174 -1.549 -1.980 -3.724 + 1289TIP3 OH210175 -1.481 -1.874 -2.900 + 1289TIP3 H110176 -1.478 -1.822 -2.818 + 1289TIP3 H210177 -1.429 -1.951 -2.876 + 1290TIP3 OH210178 -1.456 -2.261 -3.723 + 1290TIP3 H110179 -1.477 -2.192 -3.657 + 1290TIP3 H210180 -1.386 -2.217 -3.775 + 1291TIP3 OH210181 -1.763 -0.821 -4.025 + 1291TIP3 H110182 -1.759 -0.735 -4.072 + 1291TIP3 H210183 -1.777 -0.793 -3.932 + 1292TIP3 OH210184 -1.886 -2.152 -4.081 + 1292TIP3 H110185 -1.890 -2.084 -4.012 + 1292TIP3 H210186 -1.814 -2.210 -4.048 + 1293TIP3 OH210187 -0.855 -2.073 -2.810 + 1293TIP3 H110188 -0.951 -2.060 -2.825 + 1293TIP3 H210189 -0.829 -2.095 -2.900 + 1294TIP3 OH210190 -1.004 -1.689 -3.409 + 1294TIP3 H110191 -1.086 -1.734 -3.435 + 1294TIP3 H210192 -0.956 -1.760 -3.361 + 1295TIP3 OH210193 -2.052 -1.064 -4.158 + 1295TIP3 H110194 -1.970 -1.038 -4.113 + 1295TIP3 H210195 -2.015 -1.117 -4.230 + 1296TIP3 OH210196 -2.226 -1.847 -4.256 + 1296TIP3 H110197 -2.214 -1.752 -4.239 + 1296TIP3 H210198 -2.317 -1.850 -4.289 + 1297TIP3 OH210199 -0.902 -0.805 -3.272 + 1297TIP3 H110200 -0.918 -0.721 -3.319 + 1297TIP3 H210201 -0.810 -0.791 -3.243 + 1298TIP3 OH210202 -2.141 -2.352 -3.371 + 1298TIP3 H110203 -2.158 -2.355 -3.467 + 1298TIP3 H210204 -2.174 -2.439 -3.340 + 1299TIP3 OH210205 -2.254 -1.002 -3.748 + 1299TIP3 H110206 -2.331 -0.949 -3.724 + 1299TIP3 H210207 -2.213 -0.950 -3.818 + 1300TIP3 OH210208 -2.305 -0.714 -2.635 + 1300TIP3 H110209 -2.254 -0.736 -2.555 + 1300TIP3 H210210 -2.347 -0.799 -2.658 + 1301TIP3 OH210211 -1.840 -0.804 -2.448 + 1301TIP3 H110212 -1.772 -0.870 -2.427 + 1301TIP3 H210213 -1.863 -0.831 -2.539 + 1302TIP3 OH210214 -1.419 -0.871 -4.333 + 1302TIP3 H110215 -1.501 -0.925 -4.325 + 1302TIP3 H210216 -1.355 -0.941 -4.352 + 1303TIP3 OH210217 -1.193 -0.981 -2.594 + 1303TIP3 H110218 -1.234 -1.060 -2.555 + 1303TIP3 H210219 -1.126 -0.956 -2.527 + 1304TIP3 OH210220 -1.023 -0.886 -4.288 + 1304TIP3 H110221 -1.024 -0.975 -4.248 + 1304TIP3 H210222 -0.936 -0.885 -4.328 + 1305TIP3 OH210223 -2.329 -1.342 -2.536 + 1305TIP3 H110224 -2.318 -1.435 -2.560 + 1305TIP3 H210225 -2.405 -1.316 -2.591 + 1306TIP3 OH210226 -1.888 -1.288 -4.306 + 1306TIP3 H110227 -1.878 -1.361 -4.243 + 1306TIP3 H210228 -1.823 -1.311 -4.374 + 1307TIP3 OH210229 -1.651 -1.330 -2.583 + 1307TIP3 H110230 -1.683 -1.297 -2.668 + 1307TIP3 H210231 -1.645 -1.427 -2.597 + 1308TIP3 OH210232 -1.357 -1.188 -4.348 + 1308TIP3 H110233 -1.346 -1.180 -4.251 + 1308TIP3 H210234 -1.296 -1.260 -4.371 + 1309TIP3 OH210235 -1.116 -1.369 -2.844 + 1309TIP3 H110236 -1.038 -1.314 -2.862 + 1309TIP3 H210237 -1.186 -1.301 -2.844 + 1310TIP3 OH210238 -2.231 -1.631 -2.601 + 1310TIP3 H110239 -2.159 -1.697 -2.600 + 1310TIP3 H210240 -2.235 -1.609 -2.506 + 1311TIP3 OH210241 -1.786 -1.499 -4.089 + 1311TIP3 H110242 -1.848 -1.546 -4.030 + 1311TIP3 H210243 -1.752 -1.572 -4.144 + 1312TIP3 OH210244 -1.866 -1.724 -2.860 + 1312TIP3 H110245 -1.916 -1.645 -2.834 + 1312TIP3 H210246 -1.798 -1.686 -2.918 + 1313TIP3 OH210247 -1.668 -1.685 -4.277 + 1313TIP3 H110248 -1.662 -1.716 -4.369 + 1313TIP3 H210249 -1.573 -1.690 -4.251 + 1314TIP3 OH210250 -1.333 -1.452 -2.501 + 1314TIP3 H110251 -1.243 -1.472 -2.531 + 1314TIP3 H210252 -1.359 -1.536 -2.461 + 1315TIP3 OH210253 -1.803 -1.992 -2.742 + 1315TIP3 H110254 -1.798 -2.059 -2.812 + 1315TIP3 H210255 -1.826 -1.912 -2.793 + 1316TIP3 OH210256 -1.771 -2.147 -2.997 + 1316TIP3 H110257 -1.720 -2.095 -3.062 + 1316TIP3 H210258 -1.862 -2.144 -3.033 + 1317TIP3 OH210259 -1.618 -1.602 -2.957 + 1317TIP3 H110260 -1.533 -1.611 -3.004 + 1317TIP3 H210261 -1.647 -1.514 -2.987 + 1318TIP3 OH210262 -1.159 -1.808 -2.479 + 1318TIP3 H110263 -1.137 -1.901 -2.464 + 1318TIP3 H210264 -1.071 -1.768 -2.486 + 1319TIP3 OH210265 -1.061 -1.529 -2.628 + 1319TIP3 H110266 -1.096 -1.468 -2.697 + 1319TIP3 H210267 -0.972 -1.545 -2.665 + 1320TIP3 OH210268 -1.985 -1.807 -2.565 + 1320TIP3 H110269 -2.039 -1.888 -2.561 + 1320TIP3 H210270 -1.903 -1.840 -2.606 + 1321TIP3 OH210271 -1.699 -2.414 -2.962 + 1321TIP3 H110272 -1.717 -2.319 -2.977 + 1321TIP3 H210273 -1.769 -2.456 -3.015 + 1322TIP3 OH210274 -1.573 -1.957 -2.582 + 1322TIP3 H110275 -1.610 -1.979 -2.494 + 1322TIP3 H210276 -1.652 -1.976 -2.637 + 1323TIP3 OH210277 -1.319 -2.052 -2.696 + 1323TIP3 H110278 -1.408 -2.047 -2.656 + 1323TIP3 H210279 -1.274 -2.115 -2.637 + 1324TIP3 OH210280 -1.130 -2.204 -2.520 + 1324TIP3 H110281 -1.151 -2.298 -2.506 + 1324TIP3 H210282 -1.154 -2.162 -2.435 + 1325TIP3 OH210283 -2.117 -2.063 -2.579 + 1325TIP3 H110284 -2.126 -2.135 -2.644 + 1325TIP3 H210285 -2.139 -2.109 -2.496 + 1326TIP3 OH210286 -1.714 -2.464 -2.680 + 1326TIP3 H110287 -1.657 -2.542 -2.674 + 1326TIP3 H210288 -1.718 -2.450 -2.776 + 1327TIP3 OH210289 -1.619 -2.276 -2.497 + 1327TIP3 H110290 -1.651 -2.337 -2.566 + 1327TIP3 H210291 -1.691 -2.211 -2.491 + 1328TIP3 OH210292 -1.708 -0.574 -4.173 + 1328TIP3 H110293 -1.613 -0.559 -4.161 + 1328TIP3 H210294 -1.732 -0.512 -4.243 + 1329TIP3 OH210295 -2.324 -1.168 -4.197 + 1329TIP3 H110296 -2.234 -1.131 -4.197 + 1329TIP3 H210297 -2.325 -1.222 -4.277 + 1330TIP3 OH210298 -2.417 -0.618 -3.722 + 1330TIP3 H110299 -2.492 -0.651 -3.775 + 1330TIP3 H210300 -2.414 -0.683 -3.649 + 1331TIP3 OH210301 -2.383 -0.814 -3.521 + 1331TIP3 H110302 -2.413 -0.900 -3.489 + 1331TIP3 H210303 -2.352 -0.776 -3.437 + 1332TIP3 OH210304 -0.630 -0.685 -3.220 + 1332TIP3 H110305 -0.615 -0.688 -3.124 + 1332TIP3 H210306 -0.543 -0.658 -3.251 + 1333TIP3 OH210307 -0.641 -0.742 -2.932 + 1333TIP3 H110308 -0.692 -0.818 -2.967 + 1333TIP3 H210309 -0.584 -0.788 -2.868 + 1334TIP3 OH210310 -0.840 -1.198 -2.502 + 1334TIP3 H110311 -0.928 -1.190 -2.462 + 1334TIP3 H210312 -0.794 -1.118 -2.469 + 1335TIP3 OH210313 -0.700 -1.315 -3.930 + 1335TIP3 H110314 -0.610 -1.281 -3.916 + 1335TIP3 H210315 -0.706 -1.379 -3.857 + 1336TIP3 OH210316 -0.655 -1.514 -3.732 + 1336TIP3 H110317 -0.722 -1.571 -3.688 + 1336TIP3 H210318 -0.586 -1.502 -3.664 + 1337TIP3 OH210319 -0.682 -1.263 -3.234 + 1337TIP3 H110320 -0.619 -1.312 -3.290 + 1337TIP3 H210321 -0.668 -1.172 -3.264 + 1338TIP3 OH210322 -0.810 -0.971 -3.010 + 1338TIP3 H110323 -0.883 -0.931 -2.959 + 1338TIP3 H210324 -0.857 -1.008 -3.087 + 1339TIP3 OH210325 -0.626 -1.548 -4.108 + 1339TIP3 H110326 -0.690 -1.520 -4.175 + 1339TIP3 H210327 -0.645 -1.483 -4.038 + 1340TIP3 OH210328 -0.807 -1.810 -4.217 + 1340TIP3 H110329 -0.774 -1.736 -4.271 + 1340TIP3 H210330 -0.765 -1.885 -4.260 + 1341TIP3 OH210331 -0.862 -1.700 -3.651 + 1341TIP3 H110332 -0.870 -1.796 -3.666 + 1341TIP3 H210333 -0.900 -1.691 -3.561 + 1342TIP3 OH210334 -2.376 -1.480 -3.278 + 1342TIP3 H110335 -2.351 -1.475 -3.372 + 1342TIP3 H210336 -2.289 -1.503 -3.238 + 1343TIP3 OH210337 -0.800 -1.507 -2.737 + 1343TIP3 H110338 -0.727 -1.569 -2.718 + 1343TIP3 H210339 -0.754 -1.424 -2.755 + 1344TIP3 OH210340 -0.645 -1.696 -2.614 + 1344TIP3 H110341 -0.724 -1.750 -2.635 + 1344TIP3 H210342 -0.574 -1.763 -2.616 + 1345TIP3 OH210343 -0.881 -2.134 -4.340 + 1345TIP3 H110344 -0.823 -2.155 -4.266 + 1345TIP3 H210345 -0.969 -2.163 -4.312 + 1346TIP3 OH210346 -0.882 -1.946 -3.837 + 1346TIP3 H110347 -0.856 -2.041 -3.829 + 1346TIP3 H210348 -0.800 -1.909 -3.872 + 1347TIP3 OH210349 -0.851 -1.889 -3.289 + 1347TIP3 H110350 -0.753 -1.878 -3.291 + 1347TIP3 H210351 -0.866 -1.887 -3.193 + 1348TIP3 OH210352 -0.835 -1.820 -3.007 + 1348TIP3 H110353 -0.920 -1.781 -2.980 + 1348TIP3 H210354 -0.782 -1.740 -3.027 + 1349TIP3 OH210355 -2.384 -1.941 -2.642 + 1349TIP3 H110356 -2.291 -1.968 -2.633 + 1349TIP3 H210357 -2.429 -2.028 -2.635 + 1350TIP3 OH210358 -0.579 -2.405 -2.478 + 1350TIP3 H110359 -0.536 -2.473 -2.533 + 1350TIP3 H210360 -0.575 -2.327 -2.536 + 1351TIP3 OH210361 -0.831 -2.220 -3.827 + 1351TIP3 H110362 -0.818 -2.259 -3.740 + 1351TIP3 H210363 -0.903 -2.276 -3.863 + 1352TIP3 OH210364 -2.309 -2.109 -3.358 + 1352TIP3 H110365 -2.264 -2.195 -3.352 + 1352TIP3 H210366 -2.239 -2.049 -3.325 + 1353TIP3 OH210367 -2.456 -1.837 -3.255 + 1353TIP3 H110368 -2.396 -1.848 -3.330 + 1353TIP3 H210369 -2.416 -1.760 -3.211 + 1354TIP3 OH210370 -0.642 -2.200 -2.652 + 1354TIP3 H110371 -0.729 -2.157 -2.649 + 1354TIP3 H210372 -0.653 -2.254 -2.733 + 1355TIP3 OH210373 -0.627 -2.180 -4.177 + 1355TIP3 H110374 -0.605 -2.256 -4.233 + 1355TIP3 H210375 -0.542 -2.134 -4.170 + 1356TIP3 OH210376 -2.404 -2.204 -3.850 + 1356TIP3 H110377 -2.498 -2.204 -3.872 + 1356TIP3 H210378 -2.365 -2.148 -3.919 + 1357TIP3 OH210379 -0.943 -0.683 -3.642 + 1357TIP3 H110380 -0.892 -0.711 -3.720 + 1357TIP3 H210381 -0.875 -0.645 -3.585 + 1358TIP3 OH210382 -2.400 -2.319 -3.035 + 1358TIP3 H110383 -2.469 -2.348 -2.973 + 1358TIP3 H210384 -2.451 -2.270 -3.100 + 1359TIP3 OH210385 -2.199 -1.016 -2.566 + 1359TIP3 H110386 -2.272 -1.009 -2.629 + 1359TIP3 H210387 -2.243 -1.011 -2.480 + 1360TIP3 OH210388 -1.918 -0.914 -3.001 + 1360TIP3 H110389 -1.947 -0.827 -3.034 + 1360TIP3 H210390 -1.821 -0.904 -3.017 + 1361TIP3 OH210391 -1.465 -0.783 -2.699 + 1361TIP3 H110392 -1.453 -0.798 -2.604 + 1361TIP3 H210393 -1.383 -0.737 -2.723 + 1362TIP3 OH210394 -1.236 -0.636 -2.774 + 1362TIP3 H110395 -1.168 -0.702 -2.795 + 1362TIP3 H210396 -1.207 -0.605 -2.687 + 1363TIP3 OH210397 -0.754 -2.376 -2.855 + 1363TIP3 H110398 -0.834 -2.356 -2.906 + 1363TIP3 H210399 -0.732 -2.466 -2.888 + 1364TIP3 OH210400 -2.182 -0.619 -2.967 + 1364TIP3 H110401 -2.242 -0.554 -3.009 + 1364TIP3 H210402 -2.209 -0.610 -2.875 + 1365TIP3 OH210403 -1.931 -0.640 -3.112 + 1365TIP3 H110404 -2.016 -0.621 -3.067 + 1365TIP3 H210405 -1.927 -0.570 -3.179 + 1366TIP3 OH210406 -1.456 -0.640 -3.156 + 1366TIP3 H110407 -1.494 -0.594 -3.232 + 1366TIP3 H210408 -1.448 -0.567 -3.091 + 1367TIP3 OH210409 -1.222 -0.769 -3.065 + 1367TIP3 H110410 -1.307 -0.732 -3.096 + 1367TIP3 H210411 -1.166 -0.689 -3.063 + 1368TIP3 OH210412 -0.969 -0.595 -3.044 + 1368TIP3 H110413 -0.974 -0.500 -3.065 + 1368TIP3 H210414 -0.941 -0.631 -3.130 + 1369TIP3 OH210415 -2.221 -0.738 -3.273 + 1369TIP3 H110416 -2.223 -0.784 -3.186 + 1369TIP3 H210417 -2.144 -0.781 -3.315 + 1370TIP3 OH210418 -2.019 -0.862 -3.430 + 1370TIP3 H110419 -2.035 -0.955 -3.401 + 1370TIP3 H210420 -1.928 -0.847 -3.396 + 1371TIP3 OH210421 -1.744 -0.816 -3.340 + 1371TIP3 H110422 -1.725 -0.910 -3.360 + 1371TIP3 H210423 -1.737 -0.818 -3.243 + 1372TIP3 OH210424 -1.411 -2.227 -3.409 + 1372TIP3 H110425 -1.480 -2.294 -3.394 + 1372TIP3 H210426 -1.352 -2.273 -3.470 + 1373TIP3 OH210427 -0.916 -2.425 -3.362 + 1373TIP3 H110428 -0.841 -2.380 -3.405 + 1373TIP3 H210429 -0.991 -2.395 -3.417 + 1374TIP3 OH210430 -0.707 -2.315 -3.575 + 1374TIP3 H110431 -0.637 -2.355 -3.628 + 1374TIP3 H210432 -0.677 -2.223 -3.567 + 1375TIP3 OH210433 -2.176 -2.355 -3.652 + 1375TIP3 H110434 -2.262 -2.369 -3.697 + 1375TIP3 H210435 -2.133 -2.441 -3.668 + 1376TIP3 OH210436 -2.304 -2.398 -4.084 + 1376TIP3 H110437 -2.236 -2.339 -4.126 + 1376TIP3 H210438 -2.328 -2.346 -4.006 + 1377TIP3 OH210439 -1.729 -2.371 -3.665 + 1377TIP3 H110440 -1.637 -2.343 -3.679 + 1377TIP3 H210441 -1.731 -2.382 -3.570 + 1378TIP3 OH210442 -1.167 -2.369 -3.523 + 1378TIP3 H110443 -1.145 -2.383 -3.617 + 1378TIP3 H210444 -1.208 -2.454 -3.500 + 1379TIP3 OH210445 -1.066 -2.365 -3.914 + 1379TIP3 H110446 -1.145 -2.319 -3.948 + 1379TIP3 H210447 -1.092 -2.458 -3.928 + 1380TIP3 OH210448 -2.288 -0.810 -3.967 + 1380TIP3 H110449 -2.361 -0.811 -4.031 + 1380TIP3 H210450 -2.289 -0.717 -3.940 + 1381TIP3 OH210451 -2.129 -2.225 -4.223 + 1381TIP3 H110452 -2.080 -2.284 -4.281 + 1381TIP3 H210453 -2.057 -2.181 -4.174 + 1382TIP3 OH210454 -1.616 -2.207 -3.959 + 1382TIP3 H110455 -1.578 -2.263 -3.889 + 1382TIP3 H210456 -1.592 -2.120 -3.926 + 1383TIP3 OH210457 -1.412 -0.646 -4.146 + 1383TIP3 H110458 -1.315 -0.634 -4.149 + 1383TIP3 H210459 -1.423 -0.707 -4.221 + 1384TIP3 OH210460 -0.748 -0.727 -3.885 + 1384TIP3 H110461 -0.779 -0.811 -3.926 + 1384TIP3 H210462 -0.772 -0.661 -3.953 + 1385TIP3 OH210463 -2.193 -2.332 -2.703 + 1385TIP3 H110464 -2.237 -2.411 -2.665 + 1385TIP3 H210465 -2.102 -2.345 -2.671 + 1386TIP3 OH210466 -1.958 -2.393 -2.527 + 1386TIP3 H110467 -1.876 -2.430 -2.567 + 1386TIP3 H210468 -1.993 -2.472 -2.483 + 1387TIP3 OH210469 -2.088 -0.702 -4.232 + 1387TIP3 H110470 -2.130 -0.679 -4.149 + 1387TIP3 H210471 -2.025 -0.771 -4.207 + 1388TIP3 OH210472 -1.146 -2.484 -2.509 + 1388TIP3 H110473 -1.143 -2.524 -2.420 + 1388TIP3 H210474 -1.052 -2.487 -2.534 + 1389TIP3 OH210475 -0.808 -0.849 -2.640 + 1389TIP3 H110476 -0.882 -0.868 -2.700 + 1389TIP3 H210477 -0.826 -0.755 -2.619 + 1390TIP3 OH210478 0.611 -1.482 -3.627 + 1390TIP3 H110479 0.609 -1.385 -3.617 + 1390TIP3 H210480 0.536 -1.496 -3.688 + 1391TIP3 OH210481 0.496 -1.536 -3.319 + 1391TIP3 H110482 0.495 -1.593 -3.241 + 1391TIP3 H210483 0.470 -1.598 -3.389 + 1392TIP3 OH210484 -0.256 -1.577 -3.152 + 1392TIP3 H110485 -0.258 -1.652 -3.089 + 1392TIP3 H210486 -0.185 -1.523 -3.114 + 1393TIP3 OH210487 0.866 -1.262 -3.488 + 1393TIP3 H110488 0.827 -1.334 -3.436 + 1393TIP3 H210489 0.892 -1.201 -3.418 + 1394TIP3 OH210490 -0.191 -1.114 -3.305 + 1394TIP3 H110491 -0.214 -1.206 -3.329 + 1394TIP3 H210492 -0.099 -1.127 -3.279 + 1395TIP3 OH210493 -0.490 -1.774 -3.764 + 1395TIP3 H110494 -0.531 -1.687 -3.752 + 1395TIP3 H210495 -0.562 -1.824 -3.807 + 1396TIP3 OH210496 -0.411 -1.529 -3.579 + 1396TIP3 H110497 -0.396 -1.612 -3.530 + 1396TIP3 H210498 -0.326 -1.518 -3.625 + 1397TIP3 OH210499 0.571 -0.726 -3.432 + 1397TIP3 H110500 0.629 -0.799 -3.463 + 1397TIP3 H210501 0.543 -0.759 -3.346 + 1398TIP3 OH210502 0.345 -1.286 -3.264 + 1398TIP3 H110503 0.377 -1.358 -3.320 + 1398TIP3 H210504 0.426 -1.270 -3.211 + 1399TIP3 OH210505 1.207 -2.133 -3.205 + 1399TIP3 H110506 1.227 -2.082 -3.124 + 1399TIP3 H210507 1.275 -2.099 -3.266 + 1400TIP3 OH210508 0.675 -1.852 -3.213 + 1400TIP3 H110509 0.688 -1.948 -3.206 + 1400TIP3 H210510 0.665 -1.841 -3.309 + 1401TIP3 OH210511 -0.028 -2.052 -3.505 + 1401TIP3 H110512 -0.013 -1.966 -3.549 + 1401TIP3 H210513 -0.064 -2.103 -3.580 + 1402TIP3 OH210514 0.754 -2.036 -3.672 + 1402TIP3 H110515 0.815 -2.079 -3.608 + 1402TIP3 H210516 0.817 -1.991 -3.731 + 1403TIP3 OH210517 -0.359 -1.779 -3.454 + 1403TIP3 H110518 -0.296 -1.825 -3.397 + 1403TIP3 H210519 -0.350 -1.828 -3.537 + 1404TIP3 OH210520 0.178 -1.639 -3.508 + 1404TIP3 H110521 0.250 -1.694 -3.469 + 1404TIP3 H210522 0.129 -1.706 -3.559 + 1405TIP3 OH210523 1.255 -2.025 -2.957 + 1405TIP3 H110524 1.216 -1.936 -2.968 + 1405TIP3 H210525 1.294 -2.020 -2.869 + 1406TIP3 OH210526 -0.149 -2.174 -3.089 + 1406TIP3 H110527 -0.188 -2.122 -3.161 + 1406TIP3 H210528 -0.214 -2.158 -3.018 + 1407TIP3 OH210529 0.603 -1.195 -3.750 + 1407TIP3 H110530 0.570 -1.222 -3.836 + 1407TIP3 H210531 0.555 -1.112 -3.733 + 1408TIP3 OH210532 0.145 -1.384 -3.077 + 1408TIP3 H110533 0.071 -1.324 -3.052 + 1408TIP3 H210534 0.207 -1.322 -3.119 + 1409TIP3 OH210535 0.945 -2.112 -3.469 + 1409TIP3 H110536 0.899 -2.168 -3.405 + 1409TIP3 H210537 0.991 -2.050 -3.410 + 1410TIP3 OH210538 -0.188 -1.968 -3.295 + 1410TIP3 H110539 -0.124 -1.911 -3.248 + 1410TIP3 H210540 -0.131 -2.004 -3.365 + 1411TIP3 OH210541 -0.057 -1.195 -3.007 + 1411TIP3 H110542 -0.059 -1.101 -3.030 + 1411TIP3 H210543 -0.142 -1.204 -2.960 + 1412TIP3 OH210544 -0.426 -1.226 -3.919 + 1412TIP3 H110545 -0.446 -1.179 -4.003 + 1412TIP3 H210546 -0.409 -1.153 -3.856 + 1413TIP3 OH210547 0.921 -1.082 -3.238 + 1413TIP3 H110548 0.824 -1.071 -3.235 + 1413TIP3 H210549 0.948 -0.996 -3.275 + 1414TIP3 OH210550 0.951 -2.198 -3.087 + 1414TIP3 H110551 0.876 -2.156 -3.132 + 1414TIP3 H210552 1.026 -2.175 -3.146 + 1415TIP3 OH210553 0.265 -2.422 -3.382 + 1415TIP3 H110554 0.244 -2.517 -3.385 + 1415TIP3 H210555 0.184 -2.385 -3.343 + 1416TIP3 OH210556 0.750 -0.888 -3.581 + 1416TIP3 H110557 0.797 -0.967 -3.613 + 1416TIP3 H210558 0.818 -0.819 -3.593 + 1417TIP3 OH210559 0.895 -1.100 -3.720 + 1417TIP3 H110560 0.845 -1.148 -3.788 + 1417TIP3 H210561 0.891 -1.164 -3.646 + 1418TIP3 OH210562 1.050 -1.222 -2.871 + 1418TIP3 H110563 1.039 -1.285 -2.945 + 1418TIP3 H210564 1.061 -1.137 -2.918 + 1419TIP3 OH210565 0.481 -1.525 -3.901 + 1419TIP3 H110566 0.413 -1.471 -3.945 + 1419TIP3 H210567 0.550 -1.530 -3.970 + 1420TIP3 OH210568 0.526 -1.758 -4.155 + 1420TIP3 H110569 0.591 -1.688 -4.137 + 1420TIP3 H210570 0.521 -1.751 -4.252 + 1421TIP3 OH210571 1.228 -1.601 -3.078 + 1421TIP3 H110572 1.155 -1.536 -3.069 + 1421TIP3 H210573 1.276 -1.565 -3.155 + 1422TIP3 OH210574 0.830 -1.526 -3.793 + 1422TIP3 H110575 0.758 -1.507 -3.728 + 1422TIP3 H210576 0.884 -1.588 -3.742 + 1423TIP3 OH210577 0.812 -1.673 -2.909 + 1423TIP3 H110578 0.814 -1.590 -2.858 + 1423TIP3 H210579 0.746 -1.647 -2.976 + 1424TIP3 OH210580 -0.014 -1.452 -3.616 + 1424TIP3 H110581 -0.044 -1.496 -3.698 + 1424TIP3 H210582 0.052 -1.516 -3.582 + 1425TIP3 OH210583 0.124 -1.110 -3.343 + 1425TIP3 H110584 0.113 -1.152 -3.430 + 1425TIP3 H210585 0.203 -1.157 -3.309 + 1426TIP3 OH210586 0.045 -1.570 -3.267 + 1426TIP3 H110587 0.103 -1.568 -3.345 + 1426TIP3 H210588 0.086 -1.504 -3.208 + 1427TIP3 OH210589 0.642 -1.020 -3.209 + 1427TIP3 H110590 0.642 -0.952 -3.139 + 1427TIP3 H210591 0.617 -1.102 -3.162 + 1428TIP3 OH210592 0.130 -1.133 -2.781 + 1428TIP3 H110593 0.078 -1.064 -2.734 + 1428TIP3 H210594 0.067 -1.160 -2.850 + 1429TIP3 OH210595 0.733 -1.578 -4.056 + 1429TIP3 H110596 0.780 -1.555 -3.974 + 1429TIP3 H210597 0.791 -1.539 -4.124 + 1430TIP3 OH210598 -0.180 -1.487 -2.872 + 1430TIP3 H110599 -0.171 -1.444 -2.785 + 1430TIP3 H210600 -0.275 -1.510 -2.874 + 1431TIP3 OH210601 0.468 -0.923 -3.696 + 1431TIP3 H110602 0.517 -0.898 -3.617 + 1431TIP3 H210603 0.420 -0.841 -3.718 + 1432TIP3 OH210604 -0.049 -0.927 -2.688 + 1432TIP3 H110605 -0.062 -0.904 -2.781 + 1432TIP3 H210606 -0.139 -0.938 -2.654 + 1433TIP3 OH210607 1.079 -2.409 -4.058 + 1433TIP3 H110608 0.983 -2.399 -4.043 + 1433TIP3 H210609 1.101 -2.324 -4.098 + 1434TIP3 OH210610 -0.122 -1.577 -3.860 + 1434TIP3 H110611 -0.143 -1.503 -3.920 + 1434TIP3 H210612 -0.187 -1.643 -3.888 + 1435TIP3 OH210613 1.180 -0.984 -4.252 + 1435TIP3 H110614 1.213 -0.905 -4.205 + 1435TIP3 H210615 1.253 -1.047 -4.242 + 1436TIP3 OH210616 -0.515 -1.311 -2.990 + 1436TIP3 H110617 -0.559 -1.312 -3.077 + 1436TIP3 H210618 -0.501 -1.406 -2.973 + 1437TIP3 OH210619 -0.509 -1.016 -3.298 + 1437TIP3 H110620 -0.417 -1.047 -3.292 + 1437TIP3 H210621 -0.514 -0.958 -3.220 + 1438TIP3 OH210622 1.327 -0.957 -2.719 + 1438TIP3 H110623 1.317 -1.052 -2.737 + 1438TIP3 H210624 1.236 -0.934 -2.690 + 1439TIP3 OH210625 0.393 -1.026 -2.839 + 1439TIP3 H110626 0.401 -0.951 -2.777 + 1439TIP3 H210627 0.304 -1.059 -2.816 + 1440TIP3 OH210628 0.421 -0.653 -3.847 + 1440TIP3 H110629 0.425 -0.643 -3.944 + 1440TIP3 H210630 0.430 -0.562 -3.815 + 1441TIP3 OH210631 -0.199 -0.739 -3.680 + 1441TIP3 H110632 -0.179 -0.783 -3.594 + 1441TIP3 H210633 -0.283 -0.782 -3.702 + 1442TIP3 OH210634 0.747 -0.691 -4.135 + 1442TIP3 H110635 0.791 -0.749 -4.201 + 1442TIP3 H210636 0.750 -0.746 -4.055 + 1443TIP3 OH210637 0.696 -0.764 -3.860 + 1443TIP3 H110638 0.602 -0.751 -3.839 + 1443TIP3 H210639 0.719 -0.835 -3.798 + 1444TIP3 OH210640 1.006 -1.821 -2.678 + 1444TIP3 H110641 0.959 -1.782 -2.753 + 1444TIP3 H210642 1.007 -1.916 -2.704 + 1445TIP3 OH210643 -0.298 -1.158 -2.857 + 1445TIP3 H110644 -0.264 -1.210 -2.782 + 1445TIP3 H210645 -0.367 -1.215 -2.896 + 1446TIP3 OH210646 0.024 -2.310 -3.289 + 1446TIP3 H110647 -0.059 -2.315 -3.340 + 1446TIP3 H210648 0.003 -2.235 -3.230 + 1447TIP3 OH210649 0.461 -2.352 -2.925 + 1447TIP3 H110650 0.514 -2.403 -2.861 + 1447TIP3 H210651 0.370 -2.386 -2.911 + 1448TIP3 OH210652 0.771 -1.969 -2.878 + 1448TIP3 H110653 0.716 -1.987 -2.799 + 1448TIP3 H210654 0.769 -1.872 -2.886 + 1449TIP3 OH210655 0.961 -1.503 -4.261 + 1449TIP3 H110656 0.901 -1.515 -4.337 + 1449TIP3 H210657 0.992 -1.413 -4.277 + 1450TIP3 OH210658 0.447 -2.121 -4.217 + 1450TIP3 H110659 0.390 -2.100 -4.142 + 1450TIP3 H210660 0.394 -2.185 -4.265 + 1451TIP3 OH210661 0.008 -1.830 -3.150 + 1451TIP3 H110662 -0.044 -1.817 -3.069 + 1451TIP3 H210663 0.017 -1.739 -3.184 + 1452TIP3 OH210664 0.004 -1.822 -3.660 + 1452TIP3 H110665 -0.091 -1.832 -3.677 + 1452TIP3 H210666 0.040 -1.841 -3.750 + 1453TIP3 OH210667 0.572 -1.767 -3.786 + 1453TIP3 H110668 0.531 -1.686 -3.821 + 1453TIP3 H210669 0.632 -1.791 -3.859 + 1454TIP3 OH210670 0.486 -1.750 -2.652 + 1454TIP3 H110671 0.432 -1.822 -2.614 + 1454TIP3 H210672 0.572 -1.763 -2.608 + 1455TIP3 OH210673 0.650 -1.827 -3.506 + 1455TIP3 H110674 0.622 -1.769 -3.581 + 1455TIP3 H210675 0.671 -1.908 -3.556 + 1456TIP3 OH210676 -0.261 -1.811 -2.962 + 1456TIP3 H110677 -0.223 -1.785 -2.878 + 1456TIP3 H210678 -0.291 -1.902 -2.943 + 1457TIP3 OH210679 0.112 -2.081 -4.317 + 1457TIP3 H110680 0.081 -2.100 -4.226 + 1457TIP3 H210681 0.040 -2.023 -4.349 + 1458TIP3 OH210682 -0.572 -2.066 -3.600 + 1458TIP3 H110683 -0.510 -2.069 -3.525 + 1458TIP3 H210684 -0.521 -2.105 -3.673 + 1459TIP3 OH210685 -0.414 -2.024 -4.038 + 1459TIP3 H110686 -0.358 -1.975 -4.102 + 1459TIP3 H210687 -0.481 -1.957 -4.017 + 1460TIP3 OH210688 0.561 -1.658 -3.057 + 1460TIP3 H110689 0.604 -1.731 -3.108 + 1460TIP3 H210690 0.527 -1.707 -2.980 + 1461TIP3 OH210691 0.281 -2.065 -3.557 + 1461TIP3 H110692 0.186 -2.067 -3.534 + 1461TIP3 H210693 0.322 -2.082 -3.471 + 1462TIP3 OH210694 -0.263 -1.941 -3.689 + 1462TIP3 H110695 -0.344 -1.914 -3.736 + 1462TIP3 H210696 -0.233 -2.020 -3.739 + 1463TIP3 OH210697 0.098 -1.899 -3.921 + 1463TIP3 H110698 0.196 -1.898 -3.917 + 1463TIP3 H210699 0.079 -1.843 -3.999 + 1464TIP3 OH210700 0.719 -2.148 -3.257 + 1464TIP3 H110701 0.657 -2.148 -3.181 + 1464TIP3 H210702 0.660 -2.182 -3.327 + 1465TIP3 OH210703 -0.048 -1.786 -4.159 + 1465TIP3 H110704 -0.103 -1.840 -4.217 + 1465TIP3 H210705 0.032 -1.769 -4.212 + 1466TIP3 OH210706 1.023 -0.568 -2.584 + 1466TIP3 H110707 1.040 -0.527 -2.671 + 1466TIP3 H210708 1.100 -0.536 -2.533 + 1467TIP3 OH210709 -0.172 -1.306 -2.626 + 1467TIP3 H110710 -0.109 -1.288 -2.554 + 1467TIP3 H210711 -0.255 -1.312 -2.576 + 1468TIP3 OH210712 0.382 -1.809 -3.375 + 1468TIP3 H110713 0.456 -1.851 -3.421 + 1468TIP3 H210714 0.367 -1.870 -3.300 + 1469TIP3 OH210715 -0.087 -2.166 -3.762 + 1469TIP3 H110716 -0.140 -2.246 -3.747 + 1469TIP3 H210717 -0.004 -2.203 -3.796 + 1470TIP3 OH210718 0.279 -1.963 -3.150 + 1470TIP3 H110719 0.202 -1.904 -3.148 + 1470TIP3 H210720 0.328 -1.938 -3.070 + 1471TIP3 OH210721 0.290 -1.319 -3.962 + 1471TIP3 H110722 0.216 -1.374 -3.996 + 1471TIP3 H210723 0.275 -1.320 -3.864 + 1472TIP3 OH210724 1.017 -1.408 -3.086 + 1472TIP3 H110725 1.065 -1.355 -3.152 + 1472TIP3 H210726 0.931 -1.421 -3.131 + 1473TIP3 OH210727 0.707 -2.056 -4.175 + 1473TIP3 H110728 0.610 -2.051 -4.189 + 1473TIP3 H210729 0.727 -1.967 -4.138 + 1474TIP3 OH210730 0.453 -1.323 -2.824 + 1474TIP3 H110731 0.422 -1.355 -2.738 + 1474TIP3 H210732 0.422 -1.232 -2.823 + 1475TIP3 OH210733 0.771 -1.862 -3.978 + 1475TIP3 H110734 0.863 -1.874 -3.947 + 1475TIP3 H210735 0.777 -1.781 -4.032 + 1476TIP3 OH210736 -0.193 -1.385 -3.379 + 1476TIP3 H110737 -0.136 -1.396 -3.457 + 1476TIP3 H210738 -0.181 -1.470 -3.334 + 1477TIP3 OH210739 0.538 -1.189 -4.069 + 1477TIP3 H110740 0.508 -1.102 -4.036 + 1477TIP3 H210741 0.463 -1.246 -4.042 + 1478TIP3 OH210742 -0.467 -1.557 -2.850 + 1478TIP3 H110743 -0.451 -1.602 -2.764 + 1478TIP3 H210744 -0.526 -1.619 -2.895 + 1479TIP3 OH210745 0.230 -1.609 -2.653 + 1479TIP3 H110746 0.202 -1.632 -2.743 + 1479TIP3 H210747 0.325 -1.630 -2.658 + 1480TIP3 OH210748 0.685 -1.062 -2.875 + 1480TIP3 H110749 0.588 -1.053 -2.884 + 1480TIP3 H210750 0.697 -1.038 -2.781 + 1481TIP3 OH210751 1.244 -1.852 -3.999 + 1481TIP3 H110752 1.181 -1.870 -4.071 + 1481TIP3 H210753 1.255 -1.757 -4.016 + 1482TIP3 OH210754 1.282 -1.251 -2.722 + 1482TIP3 H110755 1.188 -1.235 -2.743 + 1482TIP3 H210756 1.317 -1.274 -2.810 + 1483TIP3 OH210757 1.068 -0.996 -3.990 + 1483TIP3 H110758 1.033 -1.071 -3.940 + 1483TIP3 H210759 1.096 -1.037 -4.073 + 1484TIP3 OH210760 0.782 -1.465 -3.256 + 1484TIP3 H110761 0.688 -1.480 -3.280 + 1484TIP3 H210762 0.825 -1.537 -3.306 + 1485TIP3 OH210763 0.045 -1.058 -3.654 + 1485TIP3 H110764 0.088 -0.971 -3.665 + 1485TIP3 H210765 -0.047 -1.037 -3.675 + 1486TIP3 OH210766 -0.348 -1.565 -4.201 + 1486TIP3 H110767 -0.292 -1.502 -4.153 + 1486TIP3 H210768 -0.437 -1.545 -4.166 + 1487TIP3 OH210769 0.229 -1.287 -3.688 + 1487TIP3 H110770 0.197 -1.196 -3.676 + 1487TIP3 H210771 0.158 -1.338 -3.646 + 1488TIP3 OH210772 0.244 -0.862 -3.056 + 1488TIP3 H110773 0.301 -0.787 -3.082 + 1488TIP3 H210774 0.304 -0.912 -2.998 + 1489TIP3 OH210775 0.089 -0.766 -3.736 + 1489TIP3 H110776 -0.006 -0.753 -3.724 + 1489TIP3 H210777 0.125 -0.680 -3.707 + 1490TIP3 OH210778 0.586 -1.286 -3.097 + 1490TIP3 H110779 0.556 -1.314 -3.009 + 1490TIP3 H210780 0.658 -1.347 -3.115 + 1491TIP3 OH210781 0.807 -1.154 -4.192 + 1491TIP3 H110782 0.849 -1.204 -4.120 + 1491TIP3 H210783 0.714 -1.166 -4.168 + 1492TIP3 OH210784 0.881 -0.828 -2.858 + 1492TIP3 H110785 0.805 -0.875 -2.896 + 1492TIP3 H210786 0.887 -0.749 -2.914 + 1493TIP3 OH210787 1.292 -0.713 -4.159 + 1493TIP3 H110788 1.361 -0.645 -4.145 + 1493TIP3 H210789 1.212 -0.662 -4.136 + 1494TIP3 OH210790 -0.335 -2.093 -2.892 + 1494TIP3 H110791 -0.426 -2.067 -2.915 + 1494TIP3 H210792 -0.350 -2.179 -2.849 + 1495TIP3 OH210793 0.901 -1.295 -3.968 + 1495TIP3 H110794 0.872 -1.367 -3.908 + 1495TIP3 H210795 0.998 -1.301 -3.958 + 1496TIP3 OH210796 -0.358 -0.919 -3.050 + 1496TIP3 H110797 -0.328 -1.009 -3.033 + 1496TIP3 H210798 -0.336 -0.877 -2.966 + 1497TIP3 OH210799 0.253 -1.053 -4.324 + 1497TIP3 H110800 0.295 -1.135 -4.359 + 1497TIP3 H210801 0.197 -1.089 -4.254 + 1498TIP3 OH210802 0.100 -1.100 -4.069 + 1498TIP3 H110803 0.159 -1.155 -4.016 + 1498TIP3 H210804 0.129 -1.009 -4.047 + 1499TIP3 OH210805 -0.210 -1.363 -4.040 + 1499TIP3 H110806 -0.281 -1.320 -3.988 + 1499TIP3 H210807 -0.157 -1.286 -4.065 + 1500TIP3 OH210808 0.562 -2.110 -3.037 + 1500TIP3 H110809 0.623 -2.080 -2.968 + 1500TIP3 H210810 0.514 -2.183 -2.994 + 1501TIP3 OH210811 0.621 -2.157 -3.919 + 1501TIP3 H110812 0.645 -2.110 -4.001 + 1501TIP3 H210813 0.672 -2.108 -3.853 + 1502TIP3 OH210814 0.402 -0.940 -4.027 + 1502TIP3 H110815 0.325 -0.887 -4.002 + 1502TIP3 H210816 0.454 -0.876 -4.077 + 1503TIP3 OH210817 0.364 -1.964 -3.815 + 1503TIP3 H110818 0.443 -1.908 -3.806 + 1503TIP3 H210819 0.338 -1.979 -3.722 + 1504TIP3 OH210820 0.403 -1.875 -2.901 + 1504TIP3 H110821 0.407 -1.823 -2.819 + 1504TIP3 H210822 0.457 -1.952 -2.877 + 1505TIP3 OH210823 0.429 -2.261 -3.725 + 1505TIP3 H110824 0.409 -2.192 -3.659 + 1505TIP3 H210825 0.501 -2.218 -3.776 + 1506TIP3 OH210826 0.120 -0.820 -4.025 + 1506TIP3 H110827 0.127 -0.733 -4.071 + 1506TIP3 H210828 0.110 -0.793 -3.932 + 1507TIP3 OH210829 0.000 -2.154 -4.078 + 1507TIP3 H110830 -0.006 -2.083 -4.013 + 1507TIP3 H210831 0.077 -2.204 -4.043 + 1508TIP3 OH210832 1.020 -2.073 -2.799 + 1508TIP3 H110833 0.928 -2.064 -2.832 + 1508TIP3 H210834 1.065 -2.092 -2.883 + 1509TIP3 OH210835 0.882 -1.689 -3.409 + 1509TIP3 H110836 0.799 -1.734 -3.435 + 1509TIP3 H210837 0.930 -1.760 -3.361 + 1510TIP3 OH210838 -0.167 -1.064 -4.159 + 1510TIP3 H110839 -0.085 -1.038 -4.113 + 1510TIP3 H210840 -0.127 -1.119 -4.229 + 1511TIP3 OH210841 -0.343 -1.848 -4.254 + 1511TIP3 H110842 -0.327 -1.753 -4.239 + 1511TIP3 H210843 -0.434 -1.849 -4.288 + 1512TIP3 OH210844 0.984 -0.804 -3.271 + 1512TIP3 H110845 0.967 -0.721 -3.320 + 1512TIP3 H210846 1.076 -0.789 -3.244 + 1513TIP3 OH210847 -0.254 -2.353 -3.371 + 1513TIP3 H110848 -0.273 -2.354 -3.467 + 1513TIP3 H210849 -0.290 -2.438 -3.341 + 1514TIP3 OH210850 -0.368 -1.001 -3.747 + 1514TIP3 H110851 -0.446 -0.948 -3.725 + 1514TIP3 H210852 -0.327 -0.950 -3.818 + 1515TIP3 OH210853 -0.425 -0.716 -2.628 + 1515TIP3 H110854 -0.368 -0.751 -2.559 + 1515TIP3 H210855 -0.466 -0.799 -2.660 + 1516TIP3 OH210856 0.465 -0.871 -4.332 + 1516TIP3 H110857 0.386 -0.928 -4.325 + 1516TIP3 H210858 0.532 -0.939 -4.350 + 1517TIP3 OH210859 0.688 -0.979 -2.597 + 1517TIP3 H110860 0.637 -1.047 -2.549 + 1517TIP3 H210861 0.746 -0.946 -2.526 + 1518TIP3 OH210862 0.852 -0.895 -4.288 + 1518TIP3 H110863 0.869 -0.980 -4.246 + 1518TIP3 H210864 0.939 -0.864 -4.317 + 1519TIP3 OH210865 -0.426 -1.342 -2.515 + 1519TIP3 H110866 -0.418 -1.435 -2.541 + 1519TIP3 H210867 -0.505 -1.316 -2.566 + 1520TIP3 OH210868 -0.004 -1.287 -4.306 + 1520TIP3 H110869 0.005 -1.362 -4.246 + 1520TIP3 H210870 0.057 -1.311 -4.377 + 1521TIP3 OH210871 0.246 -1.320 -2.579 + 1521TIP3 H110872 0.189 -1.294 -2.652 + 1521TIP3 H210873 0.235 -1.417 -2.578 + 1522TIP3 OH210874 0.533 -1.183 -4.346 + 1522TIP3 H110875 0.539 -1.184 -4.249 + 1522TIP3 H210876 0.589 -1.257 -4.373 + 1523TIP3 OH210877 0.770 -1.368 -2.843 + 1523TIP3 H110878 0.847 -1.313 -2.862 + 1523TIP3 H210879 0.699 -1.302 -2.842 + 1524TIP3 OH210880 -0.343 -1.630 -2.596 + 1524TIP3 H110881 -0.272 -1.697 -2.597 + 1524TIP3 H210882 -0.347 -1.613 -2.501 + 1525TIP3 OH210883 0.098 -1.500 -4.089 + 1525TIP3 H110884 0.039 -1.549 -4.030 + 1525TIP3 H210885 0.135 -1.571 -4.143 + 1526TIP3 OH210886 0.017 -1.724 -2.863 + 1526TIP3 H110887 -0.027 -1.644 -2.830 + 1526TIP3 H210888 0.088 -1.686 -2.918 + 1527TIP3 OH210889 0.196 -1.702 -4.267 + 1527TIP3 H110890 0.203 -1.712 -4.363 + 1527TIP3 H210891 0.292 -1.689 -4.252 + 1528TIP3 OH210892 0.541 -1.467 -2.506 + 1528TIP3 H110893 0.631 -1.478 -2.539 + 1528TIP3 H210894 0.525 -1.549 -2.458 + 1529TIP3 OH210895 0.081 -1.993 -2.743 + 1529TIP3 H110896 0.089 -2.059 -2.814 + 1529TIP3 H210897 0.060 -1.913 -2.793 + 1530TIP3 OH210898 0.114 -2.147 -2.998 + 1530TIP3 H110899 0.167 -2.094 -3.061 + 1530TIP3 H210900 0.024 -2.142 -3.034 + 1531TIP3 OH210901 0.267 -1.603 -2.957 + 1531TIP3 H110902 0.351 -1.612 -3.003 + 1531TIP3 H210903 0.238 -1.515 -2.986 + 1532TIP3 OH210904 0.732 -1.806 -2.469 + 1532TIP3 H110905 0.749 -1.901 -2.468 + 1532TIP3 H210906 0.820 -1.771 -2.489 + 1533TIP3 OH210907 0.824 -1.528 -2.624 + 1533TIP3 H110908 0.791 -1.468 -2.694 + 1533TIP3 H210909 0.914 -1.546 -2.659 + 1534TIP3 OH210910 -0.101 -1.806 -2.567 + 1534TIP3 H110911 -0.153 -1.888 -2.560 + 1534TIP3 H210912 -0.018 -1.837 -2.605 + 1535TIP3 OH210913 0.185 -2.414 -2.961 + 1535TIP3 H110914 0.170 -2.319 -2.977 + 1535TIP3 H210915 0.116 -2.455 -3.015 + 1536TIP3 OH210916 0.312 -1.957 -2.581 + 1536TIP3 H110917 0.276 -1.979 -2.493 + 1536TIP3 H210918 0.233 -1.975 -2.636 + 1537TIP3 OH210919 0.567 -2.053 -2.695 + 1537TIP3 H110920 0.479 -2.049 -2.654 + 1537TIP3 H210921 0.613 -2.116 -2.638 + 1538TIP3 OH210922 0.746 -2.202 -2.524 + 1538TIP3 H110923 0.737 -2.298 -2.509 + 1538TIP3 H210924 0.734 -2.164 -2.435 + 1539TIP3 OH210925 -0.233 -2.063 -2.577 + 1539TIP3 H110926 -0.239 -2.133 -2.643 + 1539TIP3 H210927 -0.254 -2.111 -2.495 + 1540TIP3 OH210928 0.169 -2.466 -2.680 + 1540TIP3 H110929 0.231 -2.541 -2.674 + 1540TIP3 H210930 0.168 -2.450 -2.776 + 1541TIP3 OH210931 0.264 -2.279 -2.494 + 1541TIP3 H110932 0.234 -2.337 -2.567 + 1541TIP3 H210933 0.196 -2.210 -2.492 + 1542TIP3 OH210934 0.177 -0.572 -4.171 + 1542TIP3 H110935 0.273 -0.561 -4.161 + 1542TIP3 H210936 0.156 -0.512 -4.245 + 1543TIP3 OH210937 -0.441 -1.161 -4.203 + 1543TIP3 H110938 -0.348 -1.132 -4.196 + 1543TIP3 H210939 -0.436 -1.227 -4.274 + 1544TIP3 OH210940 -0.535 -0.616 -3.720 + 1544TIP3 H110941 -0.607 -0.652 -3.775 + 1544TIP3 H210942 -0.528 -0.683 -3.649 + 1545TIP3 OH210943 -0.498 -0.813 -3.520 + 1545TIP3 H110944 -0.528 -0.900 -3.489 + 1545TIP3 H210945 -0.463 -0.778 -3.437 + 1546TIP3 OH210946 1.256 -0.686 -3.220 + 1546TIP3 H110947 1.271 -0.688 -3.124 + 1546TIP3 H210948 1.342 -0.657 -3.252 + 1547TIP3 OH210949 1.245 -0.742 -2.932 + 1547TIP3 H110950 1.194 -0.818 -2.967 + 1547TIP3 H210951 1.301 -0.787 -2.867 + 1548TIP3 OH210952 1.046 -1.200 -2.495 + 1548TIP3 H110953 0.958 -1.191 -2.453 + 1548TIP3 H210954 1.089 -1.116 -2.472 + 1549TIP3 OH210955 1.185 -1.315 -3.931 + 1549TIP3 H110956 1.275 -1.280 -3.918 + 1549TIP3 H210957 1.181 -1.380 -3.858 + 1550TIP3 OH210958 1.229 -1.519 -3.735 + 1550TIP3 H110959 1.159 -1.572 -3.693 + 1550TIP3 H210960 1.292 -1.504 -3.661 + 1551TIP3 OH210961 1.204 -1.266 -3.235 + 1551TIP3 H110962 1.270 -1.311 -3.290 + 1551TIP3 H210963 1.214 -1.174 -3.265 + 1552TIP3 OH210964 1.075 -0.972 -3.009 + 1552TIP3 H110965 1.002 -0.931 -2.959 + 1552TIP3 H210966 1.028 -1.008 -3.087 + 1553TIP3 OH210967 1.262 -1.546 -4.107 + 1553TIP3 H110968 1.198 -1.523 -4.176 + 1553TIP3 H210969 1.240 -1.480 -4.040 + 1554TIP3 OH210970 1.083 -1.810 -4.213 + 1554TIP3 H110971 1.107 -1.734 -4.269 + 1554TIP3 H210972 1.114 -1.884 -4.266 + 1555TIP3 OH210973 1.029 -1.701 -3.648 + 1555TIP3 H110974 1.015 -1.795 -3.668 + 1555TIP3 H210975 0.986 -1.692 -3.560 + 1556TIP3 OH210976 -0.491 -1.479 -3.280 + 1556TIP3 H110977 -0.465 -1.474 -3.373 + 1556TIP3 H210978 -0.404 -1.500 -3.239 + 1557TIP3 OH210979 1.098 -1.516 -2.714 + 1557TIP3 H110980 1.173 -1.577 -2.723 + 1557TIP3 H210981 1.134 -1.435 -2.750 + 1558TIP3 OH210982 1.265 -1.748 -2.608 + 1558TIP3 H110983 1.180 -1.781 -2.644 + 1558TIP3 H210984 1.330 -1.807 -2.648 + 1559TIP3 OH210985 1.007 -2.156 -4.340 + 1559TIP3 H110986 1.057 -2.139 -4.260 + 1559TIP3 H210987 0.914 -2.160 -4.311 + 1560TIP3 OH210988 1.008 -1.945 -3.832 + 1560TIP3 H110989 1.031 -2.041 -3.828 + 1560TIP3 H210990 1.089 -1.909 -3.873 + 1561TIP3 OH210991 1.035 -1.888 -3.288 + 1561TIP3 H110992 1.132 -1.879 -3.288 + 1561TIP3 H210993 1.018 -1.890 -3.192 + 1562TIP3 OH210994 1.050 -1.818 -3.002 + 1562TIP3 H110995 0.964 -1.778 -2.980 + 1562TIP3 H210996 1.104 -1.740 -3.027 + 1563TIP3 OH210997 -0.500 -1.944 -2.645 + 1563TIP3 H110998 -0.406 -1.967 -2.633 + 1563TIP3 H210999 -0.543 -2.030 -2.632 + 1564TIP3 OH211000 1.297 -2.396 -2.488 + 1564TIP3 H111001 1.343 -2.463 -2.541 + 1564TIP3 H211002 1.310 -2.315 -2.541 + 1565TIP3 OH211003 1.057 -2.219 -3.826 + 1565TIP3 H111004 1.066 -2.260 -3.738 + 1565TIP3 H211005 0.983 -2.271 -3.863 + 1566TIP3 OH211006 -0.423 -2.110 -3.359 + 1566TIP3 H111007 -0.376 -2.195 -3.352 + 1566TIP3 H211008 -0.354 -2.049 -3.325 + 1567TIP3 OH211009 -0.569 -1.842 -3.255 + 1567TIP3 H111010 -0.510 -1.846 -3.333 + 1567TIP3 H211011 -0.531 -1.766 -3.209 + 1568TIP3 OH211012 1.266 -2.176 -2.646 + 1568TIP3 H111013 1.177 -2.138 -2.646 + 1568TIP3 H211014 1.267 -2.224 -2.730 + 1569TIP3 OH211015 1.262 -2.183 -4.171 + 1569TIP3 H111016 1.281 -2.253 -4.234 + 1569TIP3 H211017 1.344 -2.132 -4.172 + 1570TIP3 OH211018 -0.519 -2.208 -3.852 + 1570TIP3 H111019 -0.614 -2.206 -3.872 + 1570TIP3 H211020 -0.481 -2.148 -3.920 + 1571TIP3 OH211021 0.942 -0.683 -3.642 + 1571TIP3 H111022 0.992 -0.710 -3.721 + 1571TIP3 H211023 1.012 -0.645 -3.586 + 1572TIP3 OH211024 -0.515 -2.321 -3.035 + 1572TIP3 H111025 -0.585 -2.346 -2.974 + 1572TIP3 H211026 -0.564 -2.267 -3.100 + 1573TIP3 OH211027 -0.314 -0.996 -2.560 + 1573TIP3 H111028 -0.375 -1.015 -2.633 + 1573TIP3 H211029 -0.365 -1.026 -2.483 + 1574TIP3 OH211030 -0.032 -0.911 -2.993 + 1574TIP3 H111031 -0.062 -0.826 -3.029 + 1574TIP3 H211032 0.064 -0.903 -3.011 + 1575TIP3 OH211033 0.422 -0.790 -2.668 + 1575TIP3 H111034 0.443 -0.814 -2.577 + 1575TIP3 H211035 0.503 -0.745 -2.696 + 1576TIP3 OH211036 0.643 -0.642 -2.768 + 1576TIP3 H111037 0.711 -0.707 -2.791 + 1576TIP3 H211038 0.674 -0.611 -2.681 + 1577TIP3 OH211039 1.134 -2.375 -2.849 + 1577TIP3 H111040 1.056 -2.352 -2.901 + 1577TIP3 H211041 1.158 -2.463 -2.884 + 1578TIP3 OH211042 -0.295 -0.619 -2.968 + 1578TIP3 H111043 -0.354 -0.553 -3.010 + 1578TIP3 H211044 -0.324 -0.610 -2.876 + 1579TIP3 OH211045 -0.046 -0.643 -3.112 + 1579TIP3 H111046 -0.130 -0.623 -3.068 + 1579TIP3 H211047 -0.041 -0.572 -3.179 + 1580TIP3 OH211048 0.431 -0.640 -3.156 + 1580TIP3 H111049 0.392 -0.594 -3.232 + 1580TIP3 H211050 0.437 -0.567 -3.091 + 1581TIP3 OH211051 0.664 -0.768 -3.064 + 1581TIP3 H111052 0.579 -0.733 -3.096 + 1581TIP3 H211053 0.719 -0.688 -3.065 + 1582TIP3 OH211054 0.917 -0.594 -3.044 + 1582TIP3 H111055 0.911 -0.499 -3.067 + 1582TIP3 H211056 0.944 -0.632 -3.130 + 1583TIP3 OH211057 -0.337 -0.738 -3.273 + 1583TIP3 H111058 -0.338 -0.785 -3.186 + 1583TIP3 H211059 -0.260 -0.781 -3.314 + 1584TIP3 OH211060 -0.133 -0.862 -3.430 + 1584TIP3 H111061 -0.149 -0.954 -3.402 + 1584TIP3 H211062 -0.043 -0.847 -3.396 + 1585TIP3 OH211063 0.141 -0.816 -3.340 + 1585TIP3 H111064 0.160 -0.910 -3.361 + 1585TIP3 H211065 0.149 -0.818 -3.243 + 1586TIP3 OH211066 0.475 -2.227 -3.408 + 1586TIP3 H111067 0.405 -2.295 -3.395 + 1586TIP3 H211068 0.535 -2.272 -3.470 + 1587TIP3 OH211069 0.970 -2.427 -3.364 + 1587TIP3 H111070 1.045 -2.380 -3.403 + 1587TIP3 H211071 0.895 -2.394 -3.417 + 1588TIP3 OH211072 1.179 -2.316 -3.575 + 1588TIP3 H111073 1.249 -2.356 -3.629 + 1588TIP3 H211074 1.206 -2.224 -3.567 + 1589TIP3 OH211075 -0.290 -2.355 -3.652 + 1589TIP3 H111076 -0.376 -2.367 -3.697 + 1589TIP3 H211077 -0.248 -2.441 -3.669 + 1590TIP3 OH211078 -0.410 -2.399 -4.081 + 1590TIP3 H111079 -0.351 -2.335 -4.126 + 1590TIP3 H211080 -0.444 -2.345 -4.007 + 1591TIP3 OH211081 0.157 -2.376 -3.664 + 1591TIP3 H111082 0.245 -2.340 -3.681 + 1591TIP3 H211083 0.157 -2.382 -3.568 + 1592TIP3 OH211084 0.718 -2.368 -3.523 + 1592TIP3 H111085 0.741 -2.381 -3.616 + 1592TIP3 H211086 0.679 -2.454 -3.500 + 1593TIP3 OH211087 0.826 -2.361 -3.914 + 1593TIP3 H111088 0.747 -2.312 -3.944 + 1593TIP3 H211089 0.794 -2.452 -3.924 + 1594TIP3 OH211090 -0.403 -0.810 -3.966 + 1594TIP3 H111091 -0.475 -0.811 -4.032 + 1594TIP3 H211092 -0.404 -0.717 -3.940 + 1595TIP3 OH211093 -0.243 -2.230 -4.228 + 1595TIP3 H111094 -0.186 -2.284 -4.284 + 1595TIP3 H211095 -0.178 -2.177 -4.180 + 1596TIP3 OH211096 0.263 -2.211 -3.955 + 1596TIP3 H111097 0.309 -2.262 -3.887 + 1596TIP3 H211098 0.294 -2.122 -3.931 + 1597TIP3 OH211099 0.473 -0.645 -4.148 + 1597TIP3 H111100 0.571 -0.634 -4.150 + 1597TIP3 H211101 0.464 -0.709 -4.221 + 1598TIP3 OH211102 1.137 -0.727 -3.884 + 1598TIP3 H111103 1.108 -0.811 -3.925 + 1598TIP3 H211104 1.114 -0.662 -3.953 + 1599TIP3 OH211105 -0.311 -2.333 -2.702 + 1599TIP3 H111106 -0.350 -2.414 -2.664 + 1599TIP3 H211107 -0.218 -2.343 -2.674 + 1600TIP3 OH211108 -0.073 -2.394 -2.529 + 1600TIP3 H111109 0.010 -2.427 -2.568 + 1600TIP3 H211110 -0.105 -2.474 -2.485 + 1601TIP3 OH211111 -0.204 -0.702 -4.231 + 1601TIP3 H111112 -0.243 -0.681 -4.146 + 1601TIP3 H211113 -0.137 -0.768 -4.209 + 1602TIP3 OH211114 0.741 -2.482 -2.510 + 1602TIP3 H111115 0.744 -2.524 -2.422 + 1602TIP3 H211116 0.835 -2.486 -2.536 + 1603TIP3 OH211117 1.074 -0.851 -2.638 + 1603TIP3 H111118 1.001 -0.869 -2.700 + 1603TIP3 H211119 1.059 -0.757 -2.619 + 1604TIP3 OH211120 2.494 -1.482 -3.627 + 1604TIP3 H111121 2.496 -1.385 -3.619 + 1604TIP3 H211122 2.422 -1.493 -3.691 + 1605TIP3 OH211123 2.380 -1.534 -3.320 + 1605TIP3 H111124 2.385 -1.588 -3.239 + 1605TIP3 H211125 2.361 -1.601 -3.387 + 1606TIP3 OH211126 1.633 -1.596 -3.152 + 1606TIP3 H111127 1.622 -1.672 -3.088 + 1606TIP3 H211128 1.690 -1.540 -3.097 + 1607TIP3 OH211129 2.750 -1.252 -3.478 + 1607TIP3 H111130 2.719 -1.326 -3.425 + 1607TIP3 H211131 2.783 -1.192 -3.410 + 1608TIP3 OH211132 1.696 -1.118 -3.311 + 1608TIP3 H111133 1.669 -1.208 -3.334 + 1608TIP3 H211134 1.786 -1.132 -3.278 + 1609TIP3 OH211135 1.404 -1.767 -3.758 + 1609TIP3 H111136 1.350 -1.686 -3.753 + 1609TIP3 H211137 1.340 -1.829 -3.796 + 1610TIP3 OH211138 1.455 -1.528 -3.568 + 1610TIP3 H111139 1.484 -1.611 -3.526 + 1610TIP3 H211140 1.537 -1.493 -3.606 + 1611TIP3 OH211141 2.455 -0.727 -3.432 + 1611TIP3 H111142 2.513 -0.798 -3.464 + 1611TIP3 H211143 2.429 -0.760 -3.345 + 1612TIP3 OH211144 2.233 -1.287 -3.265 + 1612TIP3 H111145 2.270 -1.359 -3.319 + 1612TIP3 H211146 2.312 -1.268 -3.211 + 1613TIP3 OH211147 3.075 -2.143 -3.184 + 1613TIP3 H111148 3.116 -2.080 -3.123 + 1613TIP3 H211149 3.128 -2.128 -3.264 + 1614TIP3 OH211150 2.563 -1.853 -3.213 + 1614TIP3 H111151 2.572 -1.949 -3.206 + 1614TIP3 H211152 2.552 -1.841 -3.309 + 1615TIP3 OH211153 1.861 -2.038 -3.515 + 1615TIP3 H111154 1.855 -1.964 -3.576 + 1615TIP3 H211155 1.831 -2.109 -3.575 + 1616TIP3 OH211156 2.641 -2.034 -3.673 + 1616TIP3 H111157 2.699 -2.078 -3.607 + 1616TIP3 H211158 2.707 -1.992 -3.730 + 1617TIP3 OH211159 1.560 -1.770 -3.474 + 1617TIP3 H111160 1.593 -1.824 -3.399 + 1617TIP3 H211161 1.516 -1.837 -3.529 + 1618TIP3 OH211162 2.018 -1.665 -3.543 + 1618TIP3 H111163 2.108 -1.670 -3.506 + 1618TIP3 H211164 2.001 -1.758 -3.552 + 1619TIP3 OH211165 3.120 -2.015 -2.928 + 1619TIP3 H111166 3.115 -1.926 -2.968 + 1619TIP3 H211167 3.168 -1.997 -2.845 + 1620TIP3 OH211168 1.719 -2.161 -3.067 + 1620TIP3 H111169 1.681 -2.110 -3.140 + 1620TIP3 H211170 1.657 -2.139 -2.996 + 1621TIP3 OH211171 2.477 -1.203 -3.748 + 1621TIP3 H111172 2.462 -1.215 -3.842 + 1621TIP3 H211173 2.443 -1.113 -3.732 + 1622TIP3 OH211174 2.029 -1.385 -3.079 + 1622TIP3 H111175 1.956 -1.326 -3.050 + 1622TIP3 H211176 2.092 -1.321 -3.118 + 1623TIP3 OH211177 2.823 -2.109 -3.469 + 1623TIP3 H111178 2.791 -2.172 -3.403 + 1623TIP3 H211179 2.878 -2.050 -3.415 + 1624TIP3 OH211180 1.695 -1.967 -3.300 + 1624TIP3 H111181 1.754 -1.916 -3.240 + 1624TIP3 H211182 1.760 -2.004 -3.363 + 1625TIP3 OH211183 1.828 -1.197 -3.011 + 1625TIP3 H111184 1.825 -1.101 -3.030 + 1625TIP3 H211185 1.745 -1.208 -2.962 + 1626TIP3 OH211186 1.460 -1.228 -3.918 + 1626TIP3 H111187 1.444 -1.189 -4.006 + 1626TIP3 H211188 1.475 -1.151 -3.861 + 1627TIP3 OH211189 2.811 -1.089 -3.219 + 1627TIP3 H111190 2.717 -1.065 -3.222 + 1627TIP3 H211191 2.853 -1.003 -3.239 + 1628TIP3 OH211192 2.148 -2.421 -3.380 + 1628TIP3 H111193 2.126 -2.516 -3.383 + 1628TIP3 H211194 2.068 -2.383 -3.339 + 1629TIP3 OH211195 2.635 -0.886 -3.584 + 1629TIP3 H111196 2.683 -0.967 -3.613 + 1629TIP3 H211197 2.704 -0.819 -3.593 + 1630TIP3 OH211198 2.777 -1.098 -3.717 + 1630TIP3 H111199 2.737 -1.151 -3.788 + 1630TIP3 H211200 2.777 -1.161 -3.643 + 1631TIP3 OH211201 2.365 -1.530 -3.904 + 1631TIP3 H111202 2.299 -1.470 -3.942 + 1631TIP3 H211203 2.438 -1.522 -3.968 + 1632TIP3 OH211204 2.382 -1.708 -4.205 + 1632TIP3 H111205 2.451 -1.675 -4.144 + 1632TIP3 H211206 2.435 -1.768 -4.261 + 1633TIP3 OH211207 3.099 -1.602 -3.075 + 1633TIP3 H111208 3.034 -1.529 -3.065 + 1633TIP3 H211209 3.151 -1.568 -3.150 + 1634TIP3 OH211210 2.711 -1.531 -3.794 + 1634TIP3 H111211 2.645 -1.510 -3.725 + 1634TIP3 H211212 2.774 -1.585 -3.743 + 1635TIP3 OH211213 2.702 -1.701 -2.901 + 1635TIP3 H111214 2.686 -1.637 -2.830 + 1635TIP3 H211215 2.635 -1.673 -2.966 + 1636TIP3 OH211216 2.005 -1.118 -3.342 + 1636TIP3 H111217 2.008 -1.146 -3.434 + 1636TIP3 H211218 2.087 -1.157 -3.306 + 1637TIP3 OH211219 1.927 -1.556 -3.277 + 1637TIP3 H111220 2.000 -1.563 -3.341 + 1637TIP3 H211221 1.967 -1.507 -3.203 + 1638TIP3 OH211222 2.522 -1.018 -3.211 + 1638TIP3 H111223 2.530 -0.950 -3.142 + 1638TIP3 H211224 2.507 -1.101 -3.161 + 1639TIP3 OH211225 2.016 -1.138 -2.786 + 1639TIP3 H111226 1.966 -1.073 -2.732 + 1639TIP3 H211227 1.949 -1.165 -2.851 + 1640TIP3 OH211228 2.620 -1.582 -4.057 + 1640TIP3 H111229 2.663 -1.557 -3.973 + 1640TIP3 H211230 2.681 -1.541 -4.122 + 1641TIP3 OH211231 1.698 -1.479 -2.887 + 1641TIP3 H111232 1.710 -1.444 -2.798 + 1641TIP3 H211233 1.616 -1.530 -2.878 + 1642TIP3 OH211234 2.350 -0.925 -3.693 + 1642TIP3 H111235 2.405 -0.898 -3.619 + 1642TIP3 H211236 2.307 -0.842 -3.720 + 1643TIP3 OH211237 1.825 -0.920 -2.701 + 1643TIP3 H111238 1.812 -0.919 -2.798 + 1643TIP3 H211239 1.737 -0.948 -2.668 + 1644TIP3 OH211240 2.957 -2.411 -4.042 + 1644TIP3 H111241 2.862 -2.395 -4.025 + 1644TIP3 H211242 2.977 -2.340 -4.104 + 1645TIP3 OH211243 3.066 -0.987 -4.247 + 1645TIP3 H111244 3.100 -0.905 -4.207 + 1645TIP3 H211245 3.143 -1.047 -4.243 + 1646TIP3 OH211246 1.371 -1.306 -2.992 + 1646TIP3 H111247 1.325 -1.310 -3.078 + 1646TIP3 H211248 1.382 -1.400 -2.970 + 1647TIP3 OH211249 1.377 -1.017 -3.298 + 1647TIP3 H111250 1.469 -1.045 -3.289 + 1647TIP3 H211251 1.368 -0.957 -3.222 + 1648TIP3 OH211252 2.278 -1.033 -2.841 + 1648TIP3 H111253 2.287 -0.952 -2.788 + 1648TIP3 H211254 2.189 -1.064 -2.816 + 1649TIP3 OH211255 2.309 -0.654 -3.847 + 1649TIP3 H111256 2.310 -0.643 -3.943 + 1649TIP3 H211257 2.314 -0.563 -3.814 + 1650TIP3 OH211258 1.687 -0.740 -3.681 + 1650TIP3 H111259 1.705 -0.784 -3.595 + 1650TIP3 H211260 1.602 -0.779 -3.704 + 1651TIP3 OH211261 2.633 -0.691 -4.135 + 1651TIP3 H111262 2.678 -0.749 -4.201 + 1651TIP3 H211263 2.636 -0.747 -4.056 + 1652TIP3 OH211264 2.582 -0.766 -3.862 + 1652TIP3 H111265 2.489 -0.749 -3.839 + 1652TIP3 H211266 2.605 -0.833 -3.796 + 1653TIP3 OH211267 2.897 -1.824 -2.683 + 1653TIP3 H111268 2.827 -1.792 -2.743 + 1653TIP3 H211269 2.904 -1.917 -2.704 + 1654TIP3 OH211270 1.589 -1.154 -2.865 + 1654TIP3 H111271 1.618 -1.201 -2.785 + 1654TIP3 H211272 1.518 -1.211 -2.899 + 1655TIP3 OH211273 1.904 -2.296 -3.286 + 1655TIP3 H111274 1.819 -2.309 -3.332 + 1655TIP3 H211275 1.879 -2.230 -3.220 + 1656TIP3 OH211276 2.348 -2.348 -2.929 + 1656TIP3 H111277 2.399 -2.398 -2.862 + 1656TIP3 H211278 2.257 -2.377 -2.913 + 1657TIP3 OH211279 2.839 -1.503 -4.249 + 1657TIP3 H111280 2.799 -1.521 -4.336 + 1657TIP3 H211281 2.874 -1.414 -4.266 + 1658TIP3 OH211282 2.329 -2.112 -4.216 + 1658TIP3 H111283 2.274 -2.108 -4.137 + 1658TIP3 H211284 2.284 -2.181 -4.267 + 1659TIP3 OH211285 1.881 -1.835 -3.137 + 1659TIP3 H111286 1.819 -1.833 -3.061 + 1659TIP3 H211287 1.880 -1.742 -3.166 + 1660TIP3 OH211288 2.454 -1.769 -3.787 + 1660TIP3 H111289 2.416 -1.685 -3.820 + 1660TIP3 H211290 2.522 -1.787 -3.855 + 1661TIP3 OH211291 2.369 -1.745 -2.649 + 1661TIP3 H111292 2.318 -1.820 -2.612 + 1661TIP3 H211293 2.456 -1.758 -2.606 + 1662TIP3 OH211294 2.528 -1.827 -3.504 + 1662TIP3 H111295 2.505 -1.769 -3.580 + 1662TIP3 H211296 2.553 -1.908 -3.553 + 1663TIP3 OH211297 2.003 -2.073 -4.315 + 1663TIP3 H111298 1.968 -2.098 -4.227 + 1663TIP3 H211299 1.928 -2.021 -4.350 + 1664TIP3 OH211300 1.342 -2.043 -3.607 + 1664TIP3 H111301 1.381 -2.077 -3.524 + 1664TIP3 H211302 1.366 -2.109 -3.674 + 1665TIP3 OH211303 1.474 -2.021 -4.037 + 1665TIP3 H111304 1.526 -1.972 -4.104 + 1665TIP3 H211305 1.403 -1.958 -4.019 + 1666TIP3 OH211306 2.444 -1.657 -3.061 + 1666TIP3 H111307 2.488 -1.730 -3.109 + 1666TIP3 H211308 2.410 -1.704 -2.983 + 1667TIP3 OH211309 2.167 -2.062 -3.556 + 1667TIP3 H111310 2.073 -2.072 -3.532 + 1667TIP3 H211311 2.211 -2.084 -3.472 + 1668TIP3 OH211312 1.660 -1.903 -3.711 + 1668TIP3 H111313 1.565 -1.899 -3.734 + 1668TIP3 H211314 1.684 -1.993 -3.743 + 1669TIP3 OH211315 1.965 -1.857 -3.887 + 1669TIP3 H111316 2.057 -1.889 -3.891 + 1669TIP3 H211317 1.942 -1.844 -3.981 + 1670TIP3 OH211318 2.620 -2.164 -3.248 + 1670TIP3 H111319 2.559 -2.154 -3.172 + 1670TIP3 H211320 2.559 -2.191 -3.319 + 1671TIP3 OH211321 1.854 -1.802 -4.149 + 1671TIP3 H111322 1.784 -1.839 -4.206 + 1671TIP3 H211323 1.920 -1.772 -4.213 + 1672TIP3 OH211324 2.905 -0.592 -2.589 + 1672TIP3 H111325 2.932 -0.555 -2.674 + 1672TIP3 H211326 2.972 -0.556 -2.529 + 1673TIP3 OH211327 1.697 -1.304 -2.645 + 1673TIP3 H111328 1.765 -1.299 -2.575 + 1673TIP3 H211329 1.617 -1.313 -2.590 + 1674TIP3 OH211330 2.252 -1.796 -3.388 + 1674TIP3 H111331 2.329 -1.838 -3.430 + 1674TIP3 H211332 2.239 -1.852 -3.309 + 1675TIP3 OH211333 1.798 -2.164 -3.757 + 1675TIP3 H111334 1.738 -2.240 -3.744 + 1675TIP3 H211335 1.878 -2.208 -3.791 + 1676TIP3 OH211336 2.169 -1.952 -3.153 + 1676TIP3 H111337 2.085 -1.903 -3.145 + 1676TIP3 H211338 2.213 -1.930 -3.068 + 1677TIP3 OH211339 2.176 -1.324 -3.957 + 1677TIP3 H111340 2.102 -1.375 -3.995 + 1677TIP3 H211341 2.158 -1.328 -3.861 + 1678TIP3 OH211342 2.906 -1.397 -3.073 + 1678TIP3 H111343 2.957 -1.338 -3.133 + 1678TIP3 H211344 2.823 -1.406 -3.123 + 1679TIP3 OH211345 2.596 -2.048 -4.183 + 1679TIP3 H111346 2.498 -2.048 -4.187 + 1679TIP3 H211347 2.618 -1.971 -4.127 + 1680TIP3 OH211348 2.349 -1.323 -2.829 + 1680TIP3 H111349 2.319 -1.358 -2.744 + 1680TIP3 H211350 2.316 -1.232 -2.827 + 1681TIP3 OH211351 2.656 -1.862 -3.988 + 1681TIP3 H111352 2.743 -1.880 -3.946 + 1681TIP3 H211353 2.672 -1.775 -4.030 + 1682TIP3 OH211354 1.712 -1.424 -3.425 + 1682TIP3 H111355 1.804 -1.397 -3.434 + 1682TIP3 H211356 1.718 -1.482 -3.347 + 1683TIP3 OH211357 2.424 -1.189 -4.067 + 1683TIP3 H111358 2.394 -1.101 -4.038 + 1683TIP3 H211359 2.346 -1.243 -4.041 + 1684TIP3 OH211360 1.396 -1.547 -2.836 + 1684TIP3 H111361 1.443 -1.596 -2.765 + 1684TIP3 H211362 1.371 -1.618 -2.897 + 1685TIP3 OH211363 2.117 -1.601 -2.652 + 1685TIP3 H111364 2.068 -1.638 -2.728 + 1685TIP3 H211365 2.207 -1.636 -2.668 + 1686TIP3 OH211366 2.579 -1.059 -2.871 + 1686TIP3 H111367 2.485 -1.053 -2.896 + 1686TIP3 H211368 2.573 -1.033 -2.776 + 1687TIP3 OH211369 3.126 -1.850 -3.998 + 1687TIP3 H111370 3.065 -1.871 -4.071 + 1687TIP3 H211371 3.139 -1.755 -4.017 + 1688TIP3 OH211372 2.946 -0.997 -3.991 + 1688TIP3 H111373 2.925 -1.076 -3.940 + 1688TIP3 H211374 2.985 -1.034 -4.072 + 1689TIP3 OH211375 2.674 -1.466 -3.244 + 1689TIP3 H111376 2.582 -1.480 -3.272 + 1689TIP3 H211377 2.720 -1.534 -3.297 + 1690TIP3 OH211378 1.929 -1.061 -3.653 + 1690TIP3 H111379 1.976 -0.977 -3.664 + 1690TIP3 H211380 1.839 -1.035 -3.675 + 1691TIP3 OH211381 1.543 -1.556 -4.197 + 1691TIP3 H111382 1.596 -1.499 -4.137 + 1691TIP3 H211383 1.452 -1.538 -4.167 + 1692TIP3 OH211384 2.091 -1.308 -3.684 + 1692TIP3 H111385 2.076 -1.212 -3.674 + 1692TIP3 H211386 2.012 -1.344 -3.643 + 1693TIP3 OH211387 2.131 -0.862 -3.056 + 1693TIP3 H111388 2.187 -0.786 -3.082 + 1693TIP3 H211389 2.191 -0.911 -2.998 + 1694TIP3 OH211390 1.975 -0.767 -3.733 + 1694TIP3 H111391 1.879 -0.752 -3.724 + 1694TIP3 H211392 2.011 -0.680 -3.707 + 1695TIP3 OH211393 2.478 -1.286 -3.090 + 1695TIP3 H111394 2.445 -1.317 -3.004 + 1695TIP3 H211395 2.549 -1.350 -3.109 + 1696TIP3 OH211396 2.686 -1.161 -4.195 + 1696TIP3 H111397 2.737 -1.201 -4.122 + 1696TIP3 H211398 2.597 -1.169 -4.158 + 1697TIP3 OH211399 2.805 -0.869 -2.844 + 1697TIP3 H111400 2.720 -0.893 -2.885 + 1697TIP3 H211401 2.818 -0.779 -2.879 + 1698TIP3 OH211402 3.175 -0.714 -4.158 + 1698TIP3 H111403 3.246 -0.646 -4.146 + 1698TIP3 H211404 3.096 -0.661 -4.138 + 1699TIP3 OH211405 2.785 -1.296 -3.965 + 1699TIP3 H111406 2.760 -1.369 -3.906 + 1699TIP3 H211407 2.882 -1.300 -3.961 + 1700TIP3 OH211408 1.529 -0.919 -3.051 + 1700TIP3 H111409 1.555 -1.009 -3.029 + 1700TIP3 H211410 1.547 -0.874 -2.967 + 1701TIP3 OH211411 2.136 -1.054 -4.327 + 1701TIP3 H111412 2.175 -1.139 -4.355 + 1701TIP3 H211413 2.081 -1.083 -4.252 + 1702TIP3 OH211414 1.992 -1.099 -4.074 + 1702TIP3 H111415 2.048 -1.151 -4.015 + 1702TIP3 H211416 2.013 -1.007 -4.049 + 1703TIP3 OH211417 1.680 -1.383 -4.014 + 1703TIP3 H111418 1.607 -1.334 -3.972 + 1703TIP3 H211419 1.730 -1.311 -4.055 + 1704TIP3 OH211420 2.481 -2.104 -3.013 + 1704TIP3 H111421 2.498 -2.081 -2.920 + 1704TIP3 H211422 2.408 -2.167 -3.003 + 1705TIP3 OH211423 2.504 -2.151 -3.921 + 1705TIP3 H111424 2.538 -2.104 -3.999 + 1705TIP3 H211425 2.559 -2.114 -3.851 + 1706TIP3 OH211426 2.288 -0.941 -4.028 + 1706TIP3 H111427 2.211 -0.887 -4.003 + 1706TIP3 H211428 2.341 -0.875 -4.075 + 1707TIP3 OH211429 2.244 -1.965 -3.818 + 1707TIP3 H111430 2.324 -1.910 -3.810 + 1707TIP3 H211431 2.222 -1.983 -3.725 + 1708TIP3 OH211432 2.291 -1.877 -2.904 + 1708TIP3 H111433 2.284 -1.822 -2.824 + 1708TIP3 H211434 2.352 -1.945 -2.875 + 1709TIP3 OH211435 2.315 -2.261 -3.724 + 1709TIP3 H111436 2.296 -2.194 -3.656 + 1709TIP3 H211437 2.387 -2.218 -3.773 + 1710TIP3 OH211438 2.007 -0.821 -4.025 + 1710TIP3 H111439 2.012 -0.736 -4.073 + 1710TIP3 H211440 1.995 -0.792 -3.933 + 1711TIP3 OH211441 1.889 -2.146 -4.077 + 1711TIP3 H111442 1.872 -2.081 -4.009 + 1711TIP3 H211443 1.964 -2.196 -4.040 + 1712TIP3 OH211444 2.764 -1.687 -3.410 + 1712TIP3 H111445 2.682 -1.733 -3.436 + 1712TIP3 H211446 2.815 -1.758 -3.365 + 1713TIP3 OH211447 1.716 -1.074 -4.154 + 1713TIP3 H111448 1.797 -1.044 -4.111 + 1713TIP3 H211449 1.754 -1.127 -4.226 + 1714TIP3 OH211450 1.546 -1.843 -4.250 + 1714TIP3 H111451 1.557 -1.747 -4.238 + 1714TIP3 H211452 1.458 -1.847 -4.292 + 1715TIP3 OH211453 2.891 -0.797 -3.253 + 1715TIP3 H111454 2.862 -0.724 -3.311 + 1715TIP3 H211455 2.987 -0.778 -3.250 + 1716TIP3 OH211456 1.636 -2.354 -3.370 + 1716TIP3 H111457 1.612 -2.357 -3.465 + 1716TIP3 H211458 1.598 -2.438 -3.337 + 1717TIP3 OH211459 1.520 -1.002 -3.746 + 1717TIP3 H111460 1.440 -0.952 -3.724 + 1717TIP3 H211461 1.557 -0.950 -3.820 + 1718TIP3 OH211462 1.454 -0.710 -2.624 + 1718TIP3 H111463 1.515 -0.738 -2.553 + 1718TIP3 H211464 1.418 -0.796 -2.653 + 1719TIP3 OH211465 1.929 -0.804 -2.452 + 1719TIP3 H111466 1.997 -0.868 -2.426 + 1719TIP3 H211467 1.907 -0.833 -2.542 + 1720TIP3 OH211468 2.351 -0.870 -4.331 + 1720TIP3 H111469 2.271 -0.927 -4.326 + 1720TIP3 H211470 2.418 -0.937 -4.352 + 1721TIP3 OH211471 2.580 -0.988 -2.602 + 1721TIP3 H111472 2.535 -1.060 -2.554 + 1721TIP3 H211473 2.646 -0.956 -2.537 + 1722TIP3 OH211474 2.735 -0.897 -4.288 + 1722TIP3 H111475 2.763 -0.978 -4.244 + 1722TIP3 H211476 2.819 -0.856 -4.318 + 1723TIP3 OH211477 1.452 -1.352 -2.512 + 1723TIP3 H111478 1.469 -1.440 -2.549 + 1723TIP3 H211479 1.380 -1.321 -2.570 + 1724TIP3 OH211480 1.882 -1.291 -4.302 + 1724TIP3 H111481 1.899 -1.366 -4.244 + 1724TIP3 H211482 1.944 -1.305 -4.374 + 1725TIP3 OH211483 2.121 -1.329 -2.584 + 1725TIP3 H111484 2.087 -1.299 -2.669 + 1725TIP3 H211485 2.127 -1.427 -2.597 + 1726TIP3 OH211486 2.411 -1.190 -4.347 + 1726TIP3 H111487 2.429 -1.178 -4.252 + 1726TIP3 H211488 2.477 -1.256 -4.372 + 1727TIP3 OH211489 2.680 -1.338 -2.830 + 1727TIP3 H111490 2.746 -1.311 -2.894 + 1727TIP3 H211491 2.607 -1.276 -2.847 + 1728TIP3 OH211492 1.547 -1.619 -2.601 + 1728TIP3 H111493 1.610 -1.691 -2.618 + 1728TIP3 H211494 1.538 -1.624 -2.505 + 1729TIP3 OH211495 1.988 -1.505 -4.079 + 1729TIP3 H111496 1.922 -1.555 -4.030 + 1729TIP3 H211497 2.024 -1.572 -4.140 + 1730TIP3 OH211498 1.928 -1.715 -2.835 + 1730TIP3 H111499 1.842 -1.670 -2.834 + 1730TIP3 H211500 1.969 -1.681 -2.916 + 1731TIP3 OH211501 2.104 -1.684 -4.275 + 1731TIP3 H111502 2.109 -1.712 -4.367 + 1731TIP3 H211503 2.199 -1.688 -4.250 + 1732TIP3 OH211504 2.437 -1.452 -2.502 + 1732TIP3 H111505 2.529 -1.471 -2.525 + 1732TIP3 H211506 2.410 -1.534 -2.459 + 1733TIP3 OH211507 1.973 -1.991 -2.741 + 1733TIP3 H111508 1.969 -2.059 -2.810 + 1733TIP3 H211509 1.941 -1.912 -2.788 + 1734TIP3 OH211510 1.997 -2.152 -3.003 + 1734TIP3 H111511 2.044 -2.092 -3.063 + 1734TIP3 H211512 1.903 -2.136 -3.023 + 1735TIP3 OH211513 2.160 -1.604 -2.966 + 1735TIP3 H111514 2.246 -1.605 -3.011 + 1735TIP3 H211515 2.127 -1.515 -2.987 + 1736TIP3 OH211516 2.614 -1.807 -2.483 + 1736TIP3 H111517 2.629 -1.900 -2.457 + 1736TIP3 H211518 2.703 -1.770 -2.477 + 1737TIP3 OH211519 2.720 -1.537 -2.650 + 1737TIP3 H111520 2.685 -1.464 -2.705 + 1737TIP3 H211521 2.814 -1.530 -2.674 + 1738TIP3 OH211522 1.792 -1.825 -2.549 + 1738TIP3 H111523 1.724 -1.892 -2.570 + 1738TIP3 H211524 1.861 -1.848 -2.612 + 1739TIP3 OH211525 2.075 -2.413 -2.964 + 1739TIP3 H111526 2.053 -2.319 -2.978 + 1739TIP3 H211527 2.003 -2.456 -3.014 + 1740TIP3 OH211528 2.212 -1.962 -2.590 + 1740TIP3 H111529 2.179 -1.985 -2.501 + 1740TIP3 H211530 2.130 -1.979 -2.641 + 1741TIP3 OH211531 2.470 -2.051 -2.726 + 1741TIP3 H111532 2.386 -2.035 -2.679 + 1741TIP3 H211533 2.520 -2.101 -2.659 + 1742TIP3 OH211534 2.636 -2.202 -2.529 + 1742TIP3 H111535 2.618 -2.296 -2.512 + 1742TIP3 H211536 2.613 -2.160 -2.444 + 1743TIP3 OH211537 1.633 -2.061 -2.577 + 1743TIP3 H111538 1.610 -2.125 -2.646 + 1743TIP3 H211539 1.608 -2.109 -2.496 + 1744TIP3 OH211540 2.055 -2.466 -2.681 + 1744TIP3 H111541 2.115 -2.542 -2.674 + 1744TIP3 H211542 2.054 -2.450 -2.777 + 1745TIP3 OH211543 2.150 -2.280 -2.494 + 1745TIP3 H111544 2.115 -2.338 -2.565 + 1745TIP3 H211545 2.083 -2.210 -2.489 + 1746TIP3 OH211546 2.063 -0.575 -4.172 + 1746TIP3 H111547 2.159 -0.560 -4.162 + 1746TIP3 H211548 2.039 -0.513 -4.242 + 1747TIP3 OH211549 1.449 -1.170 -4.195 + 1747TIP3 H111550 1.539 -1.133 -4.197 + 1747TIP3 H211551 1.444 -1.221 -4.277 + 1748TIP3 OH211552 1.350 -0.616 -3.720 + 1748TIP3 H111553 1.278 -0.652 -3.776 + 1748TIP3 H211554 1.356 -0.684 -3.650 + 1749TIP3 OH211555 1.388 -0.813 -3.520 + 1749TIP3 H111556 1.357 -0.900 -3.488 + 1749TIP3 H211557 1.422 -0.777 -3.437 + 1750TIP3 OH211558 3.156 -0.688 -3.218 + 1750TIP3 H111559 3.186 -0.687 -3.127 + 1750TIP3 H211560 3.239 -0.664 -3.263 + 1751TIP3 OH211561 3.101 -0.782 -2.907 + 1751TIP3 H111562 3.078 -0.838 -2.982 + 1751TIP3 H211563 3.193 -0.806 -2.888 + 1752TIP3 OH211564 2.929 -1.167 -2.537 + 1752TIP3 H111565 2.851 -1.195 -2.485 + 1752TIP3 H211566 2.981 -1.121 -2.467 + 1753TIP3 OH211567 3.067 -1.314 -3.930 + 1753TIP3 H111568 3.157 -1.276 -3.919 + 1753TIP3 H211569 3.067 -1.378 -3.856 + 1754TIP3 OH211570 3.112 -1.511 -3.732 + 1754TIP3 H111571 3.050 -1.572 -3.687 + 1754TIP3 H211572 3.185 -1.502 -3.669 + 1755TIP3 OH211573 3.087 -1.266 -3.241 + 1755TIP3 H111574 3.153 -1.316 -3.291 + 1755TIP3 H211575 3.109 -1.174 -3.266 + 1756TIP3 OH211576 3.139 -1.551 -4.107 + 1756TIP3 H111577 3.081 -1.516 -4.175 + 1756TIP3 H211578 3.128 -1.483 -4.038 + 1757TIP3 OH211579 2.963 -1.811 -4.218 + 1757TIP3 H111580 2.997 -1.735 -4.268 + 1757TIP3 H211581 3.009 -1.885 -4.260 + 1758TIP3 OH211582 2.908 -1.701 -3.651 + 1758TIP3 H111583 2.901 -1.797 -3.665 + 1758TIP3 H211584 2.871 -1.691 -3.561 + 1759TIP3 OH211585 1.405 -1.477 -3.276 + 1759TIP3 H111586 1.428 -1.475 -3.370 + 1759TIP3 H211587 1.488 -1.510 -3.236 + 1760TIP3 OH211588 2.991 -1.465 -2.720 + 1760TIP3 H111589 3.045 -1.546 -2.724 + 1760TIP3 H211590 3.054 -1.399 -2.749 + 1761TIP3 OH211591 3.119 -1.687 -2.620 + 1761TIP3 H111592 3.044 -1.747 -2.642 + 1761TIP3 H211593 3.194 -1.749 -2.618 + 1762TIP3 OH211594 2.889 -2.130 -4.338 + 1762TIP3 H111595 2.950 -2.156 -4.268 + 1762TIP3 H211596 2.803 -2.164 -4.310 + 1763TIP3 OH211597 2.888 -1.946 -3.837 + 1763TIP3 H111598 2.915 -2.040 -3.828 + 1763TIP3 H211599 2.970 -1.908 -3.872 + 1764TIP3 OH211600 2.923 -1.883 -3.293 + 1764TIP3 H111601 3.020 -1.872 -3.296 + 1764TIP3 H211602 2.907 -1.880 -3.198 + 1765TIP3 OH211603 2.921 -1.831 -2.997 + 1765TIP3 H111604 2.839 -1.782 -2.971 + 1765TIP3 H211605 2.978 -1.755 -3.024 + 1766TIP3 OH211606 3.175 -2.395 -2.502 + 1766TIP3 H111607 3.231 -2.467 -2.535 + 1766TIP3 H211608 3.213 -2.317 -2.544 + 1767TIP3 OH211609 2.939 -2.215 -3.823 + 1767TIP3 H111610 2.960 -2.259 -3.738 + 1767TIP3 H211611 2.870 -2.274 -3.859 + 1768TIP3 OH211612 1.463 -2.109 -3.362 + 1768TIP3 H111613 1.503 -2.197 -3.347 + 1768TIP3 H211614 1.530 -2.052 -3.320 + 1769TIP3 OH211615 1.314 -1.840 -3.258 + 1769TIP3 H111616 1.374 -1.849 -3.332 + 1769TIP3 H211617 1.357 -1.773 -3.203 + 1770TIP3 OH211618 3.098 -2.167 -2.680 + 1770TIP3 H111619 3.026 -2.178 -2.615 + 1770TIP3 H211620 3.093 -2.247 -2.735 + 1771TIP3 OH211621 3.143 -2.179 -4.180 + 1771TIP3 H111622 3.171 -2.258 -4.228 + 1771TIP3 H211623 3.228 -2.134 -4.167 + 1772TIP3 OH211624 1.364 -2.204 -3.848 + 1772TIP3 H111625 1.270 -2.207 -3.873 + 1772TIP3 H211626 1.403 -2.149 -3.918 + 1773TIP3 OH211627 2.829 -0.685 -3.641 + 1773TIP3 H111628 2.877 -0.710 -3.721 + 1773TIP3 H211629 2.898 -0.644 -3.588 + 1774TIP3 OH211630 1.367 -2.333 -3.049 + 1774TIP3 H111631 1.312 -2.342 -2.970 + 1774TIP3 H211632 1.317 -2.267 -3.099 + 1775TIP3 OH211633 1.570 -1.005 -2.569 + 1775TIP3 H111634 1.496 -1.012 -2.630 + 1775TIP3 H211635 1.527 -1.015 -2.483 + 1776TIP3 OH211636 1.854 -0.915 -3.002 + 1776TIP3 H111637 1.823 -0.828 -3.034 + 1776TIP3 H211638 1.951 -0.904 -3.017 + 1777TIP3 OH211639 2.307 -0.782 -2.700 + 1777TIP3 H111640 2.317 -0.797 -2.604 + 1777TIP3 H211641 2.391 -0.738 -2.722 + 1778TIP3 OH211642 2.541 -0.641 -2.775 + 1778TIP3 H111643 2.607 -0.709 -2.794 + 1778TIP3 H211644 2.572 -0.608 -2.688 + 1779TIP3 OH211645 2.989 -2.366 -2.867 + 1779TIP3 H111646 2.915 -2.390 -2.927 + 1779TIP3 H211647 3.043 -2.447 -2.878 + 1780TIP3 OH211648 1.590 -0.618 -2.967 + 1780TIP3 H111649 1.531 -0.554 -3.010 + 1780TIP3 H211650 1.561 -0.611 -2.875 + 1781TIP3 OH211651 1.841 -0.640 -3.112 + 1781TIP3 H111652 1.756 -0.621 -3.067 + 1781TIP3 H211653 1.844 -0.570 -3.179 + 1782TIP3 OH211654 2.316 -0.641 -3.155 + 1782TIP3 H111655 2.280 -0.595 -3.232 + 1782TIP3 H211656 2.326 -0.568 -3.091 + 1783TIP3 OH211657 2.550 -0.774 -3.063 + 1783TIP3 H111658 2.467 -0.734 -3.095 + 1783TIP3 H211659 2.608 -0.696 -3.057 + 1784TIP3 OH211660 2.805 -0.594 -3.039 + 1784TIP3 H111661 2.798 -0.501 -3.068 + 1784TIP3 H211662 2.830 -0.637 -3.122 + 1785TIP3 OH211663 1.549 -0.738 -3.272 + 1785TIP3 H111664 1.547 -0.785 -3.187 + 1785TIP3 H211665 1.626 -0.781 -3.315 + 1786TIP3 OH211666 1.752 -0.864 -3.428 + 1786TIP3 H111667 1.737 -0.956 -3.400 + 1786TIP3 H211668 1.842 -0.847 -3.395 + 1787TIP3 OH211669 2.025 -0.816 -3.339 + 1787TIP3 H111670 2.048 -0.908 -3.360 + 1787TIP3 H211671 2.034 -0.817 -3.242 + 1788TIP3 OH211672 2.361 -2.226 -3.406 + 1788TIP3 H111673 2.293 -2.295 -3.393 + 1788TIP3 H211674 2.424 -2.271 -3.465 + 1789TIP3 OH211675 2.852 -2.419 -3.362 + 1789TIP3 H111676 2.932 -2.382 -3.405 + 1789TIP3 H211677 2.782 -2.394 -3.423 + 1790TIP3 OH211678 3.061 -2.314 -3.576 + 1790TIP3 H111679 3.133 -2.361 -3.622 + 1790TIP3 H211680 3.097 -2.223 -3.572 + 1791TIP3 OH211681 1.596 -2.354 -3.654 + 1791TIP3 H111682 1.509 -2.369 -3.697 + 1791TIP3 H211683 1.637 -2.442 -3.666 + 1792TIP3 OH211684 1.475 -2.400 -4.081 + 1792TIP3 H111685 1.533 -2.335 -4.127 + 1792TIP3 H211686 1.439 -2.346 -4.009 + 1793TIP3 OH211687 2.042 -2.370 -3.665 + 1793TIP3 H111688 2.134 -2.343 -3.679 + 1793TIP3 H211689 2.041 -2.383 -3.569 + 1794TIP3 OH211690 2.601 -2.368 -3.525 + 1794TIP3 H111691 2.629 -2.382 -3.616 + 1794TIP3 H211692 2.564 -2.455 -3.501 + 1795TIP3 OH211693 2.705 -2.364 -3.914 + 1795TIP3 H111694 2.628 -2.318 -3.949 + 1795TIP3 H211695 2.677 -2.457 -3.923 + 1796TIP3 OH211696 1.482 -0.810 -3.964 + 1796TIP3 H111697 1.411 -0.813 -4.030 + 1796TIP3 H211698 1.483 -0.716 -3.942 + 1797TIP3 OH211699 1.644 -2.229 -4.227 + 1797TIP3 H111700 1.700 -2.286 -4.281 + 1797TIP3 H211701 1.710 -2.176 -4.180 + 1798TIP3 OH211702 2.150 -2.205 -3.955 + 1798TIP3 H111703 2.191 -2.265 -3.891 + 1798TIP3 H211704 2.188 -2.121 -3.925 + 1799TIP3 OH211705 2.359 -0.647 -4.145 + 1799TIP3 H111706 2.456 -0.634 -4.149 + 1799TIP3 H211707 2.349 -0.708 -4.221 + 1800TIP3 OH211708 3.020 -0.726 -3.883 + 1800TIP3 H111709 2.993 -0.810 -3.925 + 1800TIP3 H211710 3.002 -0.661 -3.953 + 1801TIP3 OH211711 1.574 -2.339 -2.710 + 1801TIP3 H111712 1.539 -2.418 -2.665 + 1801TIP3 H211713 1.666 -2.338 -2.678 + 1802TIP3 OH211714 1.814 -2.393 -2.526 + 1802TIP3 H111715 1.895 -2.429 -2.566 + 1802TIP3 H211716 1.776 -2.472 -2.484 + 1803TIP3 OH211717 1.682 -0.703 -4.232 + 1803TIP3 H111718 1.641 -0.679 -4.148 + 1803TIP3 H211719 1.748 -0.769 -4.208 + 1804TIP3 OH211720 2.625 -2.484 -2.512 + 1804TIP3 H111721 2.626 -2.525 -2.423 + 1804TIP3 H211722 2.720 -2.482 -2.533 + 1805TIP3 OH211723 4.222 -1.590 -3.311 + 1805TIP3 H111724 4.293 -1.544 -3.263 + 1805TIP3 H211725 4.241 -1.568 -3.403 + 1806TIP3 OH211726 3.514 -1.580 -3.149 + 1806TIP3 H111727 3.518 -1.652 -3.084 + 1806TIP3 H211728 3.589 -1.525 -3.121 + 1807TIP3 OH211729 3.584 -1.148 -3.290 + 1807TIP3 H111730 3.573 -1.233 -3.337 + 1807TIP3 H211731 3.677 -1.127 -3.308 + 1808TIP3 OH211732 3.280 -1.781 -3.762 + 1808TIP3 H111733 3.248 -1.690 -3.750 + 1808TIP3 H211734 3.207 -1.821 -3.813 + 1809TIP3 OH211735 3.355 -1.534 -3.588 + 1809TIP3 H111736 3.376 -1.608 -3.529 + 1809TIP3 H211737 3.444 -1.509 -3.620 + 1810TIP3 OH211738 4.122 -1.288 -3.246 + 1810TIP3 H111739 4.146 -1.349 -3.317 + 1810TIP3 H211740 4.207 -1.267 -3.207 + 1811TIP3 OH211741 3.744 -2.052 -3.505 + 1811TIP3 H111742 3.757 -1.966 -3.549 + 1811TIP3 H211743 3.707 -2.103 -3.580 + 1812TIP3 OH211744 3.407 -1.784 -3.449 + 1812TIP3 H111745 3.477 -1.827 -3.397 + 1812TIP3 H211746 3.419 -1.825 -3.536 + 1813TIP3 OH211747 3.952 -1.643 -3.505 + 1813TIP3 H111748 4.025 -1.697 -3.471 + 1813TIP3 H211749 3.899 -1.710 -3.552 + 1814TIP3 OH211750 3.622 -2.174 -3.089 + 1814TIP3 H111751 3.584 -2.125 -3.163 + 1814TIP3 H211752 3.557 -2.156 -3.018 + 1815TIP3 OH211753 3.914 -1.389 -3.074 + 1815TIP3 H111754 3.844 -1.326 -3.049 + 1815TIP3 H211755 3.980 -1.330 -3.115 + 1816TIP3 OH211756 3.582 -1.970 -3.295 + 1816TIP3 H111757 3.646 -1.911 -3.250 + 1816TIP3 H211758 3.639 -2.006 -3.366 + 1817TIP3 OH211759 3.718 -1.195 -2.996 + 1817TIP3 H111760 3.715 -1.114 -3.051 + 1817TIP3 H211761 3.626 -1.196 -2.967 + 1818TIP3 OH211762 3.335 -1.220 -3.913 + 1818TIP3 H111763 3.329 -1.178 -4.001 + 1818TIP3 H211764 3.360 -1.148 -3.853 + 1819TIP3 OH211765 4.043 -2.426 -3.375 + 1819TIP3 H111766 4.015 -2.520 -3.375 + 1819TIP3 H211767 3.963 -2.383 -3.338 + 1820TIP3 OH211768 4.237 -1.524 -3.928 + 1820TIP3 H111769 4.165 -1.462 -3.944 + 1820TIP3 H211770 4.305 -1.491 -3.987 + 1821TIP3 OH211771 4.280 -1.696 -4.212 + 1821TIP3 H111772 4.344 -1.693 -4.138 + 1821TIP3 H211773 4.303 -1.780 -4.253 + 1822TIP3 OH211774 3.747 -1.461 -3.616 + 1822TIP3 H111775 3.731 -1.495 -3.706 + 1822TIP3 H211776 3.824 -1.513 -3.587 + 1823TIP3 OH211777 3.897 -1.125 -3.338 + 1823TIP3 H111778 3.893 -1.149 -3.432 + 1823TIP3 H211779 3.981 -1.165 -3.310 + 1824TIP3 OH211780 3.815 -1.572 -3.265 + 1824TIP3 H111781 3.872 -1.570 -3.345 + 1824TIP3 H211782 3.856 -1.503 -3.209 + 1825TIP3 OH211783 3.903 -1.138 -2.784 + 1825TIP3 H111784 3.852 -1.071 -2.736 + 1825TIP3 H211785 3.842 -1.160 -2.857 + 1826TIP3 OH211786 3.595 -1.502 -2.868 + 1826TIP3 H111787 3.602 -1.440 -2.793 + 1826TIP3 H211788 3.499 -1.510 -2.879 + 1827TIP3 OH211789 4.263 -0.928 -3.703 + 1827TIP3 H111790 4.299 -0.877 -3.628 + 1827TIP3 H211791 4.200 -0.865 -3.741 + 1828TIP3 OH211792 3.707 -0.917 -2.695 + 1828TIP3 H111793 3.706 -0.910 -2.793 + 1828TIP3 H211794 3.619 -0.953 -2.676 + 1829TIP3 OH211795 3.657 -1.582 -3.862 + 1829TIP3 H111796 3.662 -1.511 -3.927 + 1829TIP3 H211797 3.582 -1.633 -3.896 + 1830TIP3 OH211798 3.233 -1.305 -2.979 + 1830TIP3 H111799 3.206 -1.306 -3.073 + 1830TIP3 H211800 3.259 -1.397 -2.963 + 1831TIP3 OH211801 3.257 -1.027 -3.279 + 1831TIP3 H111802 3.351 -1.049 -3.293 + 1831TIP3 H211803 3.268 -0.936 -3.247 + 1832TIP3 OH211804 4.165 -1.030 -2.847 + 1832TIP3 H111805 4.179 -0.952 -2.792 + 1832TIP3 H211806 4.080 -1.065 -2.816 + 1833TIP3 OH211807 4.186 -0.649 -3.842 + 1833TIP3 H111808 4.201 -0.656 -3.937 + 1833TIP3 H211809 4.214 -0.560 -3.819 + 1834TIP3 OH211810 3.575 -0.747 -3.644 + 1834TIP3 H111811 3.590 -0.788 -3.557 + 1834TIP3 H211812 3.499 -0.799 -3.674 + 1835TIP3 OH211813 3.437 -1.138 -2.842 + 1835TIP3 H111814 3.497 -1.195 -2.791 + 1835TIP3 H211815 3.395 -1.197 -2.907 + 1836TIP3 OH211816 3.796 -2.311 -3.290 + 1836TIP3 H111817 3.715 -2.315 -3.344 + 1836TIP3 H211818 3.775 -2.235 -3.234 + 1837TIP3 OH211819 4.234 -2.373 -2.862 + 1837TIP3 H111820 4.245 -2.445 -2.799 + 1837TIP3 H211821 4.142 -2.390 -2.894 + 1838TIP3 OH211822 4.220 -2.100 -4.212 + 1838TIP3 H111823 4.162 -2.107 -4.135 + 1838TIP3 H211824 4.185 -2.170 -4.269 + 1839TIP3 OH211825 3.777 -1.830 -3.151 + 1839TIP3 H111826 3.724 -1.814 -3.072 + 1839TIP3 H211827 3.790 -1.738 -3.186 + 1840TIP3 OH211828 3.774 -1.825 -3.660 + 1840TIP3 H111829 3.678 -1.828 -3.676 + 1840TIP3 H211830 3.807 -1.830 -3.751 + 1841TIP3 OH211831 4.261 -1.722 -3.744 + 1841TIP3 H111832 4.216 -1.654 -3.798 + 1841TIP3 H211833 4.332 -1.667 -3.707 + 1842TIP3 OH211834 4.249 -1.743 -2.635 + 1842TIP3 H111835 4.197 -1.824 -2.616 + 1842TIP3 H211836 4.339 -1.781 -2.632 + 1843TIP3 OH211837 3.505 -1.814 -2.958 + 1843TIP3 H111838 3.550 -1.782 -2.878 + 1843TIP3 H211839 3.487 -1.907 -2.935 + 1844TIP3 OH211840 3.895 -2.075 -4.311 + 1844TIP3 H111841 3.855 -2.097 -4.225 + 1844TIP3 H211842 3.823 -2.020 -4.349 + 1845TIP3 OH211843 3.196 -2.070 -3.596 + 1845TIP3 H111844 3.260 -2.071 -3.523 + 1845TIP3 H211845 3.247 -2.101 -3.673 + 1846TIP3 OH211846 3.357 -2.024 -4.041 + 1846TIP3 H111847 3.414 -1.974 -4.103 + 1846TIP3 H211848 3.291 -1.956 -4.017 + 1847TIP3 OH211849 4.351 -1.687 -3.023 + 1847TIP3 H111850 4.378 -1.754 -3.089 + 1847TIP3 H211851 4.272 -1.730 -2.986 + 1848TIP3 OH211852 4.048 -2.089 -3.554 + 1848TIP3 H111853 3.954 -2.074 -3.534 + 1848TIP3 H211854 4.089 -2.056 -3.472 + 1849TIP3 OH211855 3.505 -1.944 -3.686 + 1849TIP3 H111856 3.427 -1.912 -3.735 + 1849TIP3 H211857 3.535 -2.020 -3.739 + 1850TIP3 OH211858 3.875 -1.910 -3.931 + 1850TIP3 H111859 3.967 -1.881 -3.919 + 1850TIP3 H211860 3.838 -1.845 -3.994 + 1851TIP3 OH211861 3.727 -1.796 -4.154 + 1851TIP3 H111862 3.674 -1.840 -4.222 + 1851TIP3 H211863 3.793 -1.748 -4.205 + 1852TIP3 OH211864 3.579 -1.313 -2.647 + 1852TIP3 H111865 3.649 -1.305 -2.579 + 1852TIP3 H211866 3.500 -1.296 -2.592 + 1853TIP3 OH211867 4.139 -1.859 -3.416 + 1853TIP3 H111868 4.224 -1.883 -3.455 + 1853TIP3 H211869 4.161 -1.855 -3.322 + 1854TIP3 OH211870 3.675 -2.175 -3.758 + 1854TIP3 H111871 3.626 -2.257 -3.742 + 1854TIP3 H211872 3.758 -2.207 -3.794 + 1855TIP3 OH211873 4.048 -1.976 -3.143 + 1855TIP3 H111874 3.981 -1.908 -3.162 + 1855TIP3 H211875 4.101 -1.934 -3.073 + 1856TIP3 OH211876 4.202 -1.342 -2.832 + 1856TIP3 H111877 4.188 -1.347 -2.737 + 1856TIP3 H211878 4.216 -1.247 -2.847 + 1857TIP3 OH211879 3.572 -1.408 -3.392 + 1857TIP3 H111880 3.636 -1.408 -3.466 + 1857TIP3 H211881 3.602 -1.485 -3.341 + 1858TIP3 OH211882 4.251 -1.213 -4.054 + 1858TIP3 H111883 4.244 -1.119 -4.030 + 1858TIP3 H211884 4.162 -1.242 -4.026 + 1859TIP3 OH211885 3.299 -1.556 -2.849 + 1859TIP3 H111886 3.324 -1.607 -2.769 + 1859TIP3 H211887 3.245 -1.619 -2.899 + 1860TIP3 OH211888 4.000 -1.613 -2.649 + 1860TIP3 H111889 3.972 -1.635 -2.740 + 1860TIP3 H211890 4.096 -1.631 -2.655 + 1861TIP3 OH211891 3.797 -1.037 -3.625 + 1861TIP3 H111892 3.862 -0.984 -3.671 + 1861TIP3 H211893 3.725 -1.044 -3.688 + 1862TIP3 OH211894 3.418 -1.578 -4.203 + 1862TIP3 H111895 3.475 -1.511 -4.161 + 1862TIP3 H211896 3.330 -1.552 -4.171 + 1863TIP3 OH211897 4.014 -1.279 -3.621 + 1863TIP3 H111898 4.005 -1.208 -3.686 + 1863TIP3 H211899 3.945 -1.340 -3.649 + 1864TIP3 OH211900 4.020 -0.853 -3.051 + 1864TIP3 H111901 4.082 -0.794 -3.096 + 1864TIP3 H211902 4.081 -0.916 -3.008 + 1865TIP3 OH211903 3.862 -0.764 -3.751 + 1865TIP3 H111904 3.771 -0.766 -3.717 + 1865TIP3 H211905 3.896 -0.681 -3.713 + 1866TIP3 OH211906 3.431 -2.091 -2.889 + 1866TIP3 H111907 3.342 -2.082 -2.924 + 1866TIP3 H211908 3.427 -2.180 -2.849 + 1867TIP3 OH211909 4.017 -1.055 -4.286 + 1867TIP3 H111910 4.031 -1.136 -4.335 + 1867TIP3 H211911 3.972 -1.091 -4.206 + 1868TIP3 OH211912 3.550 -1.366 -4.053 + 1868TIP3 H111913 3.488 -1.322 -3.991 + 1868TIP3 H211914 3.624 -1.303 -4.054 + 1869TIP3 OH211915 4.338 -2.064 -2.983 + 1869TIP3 H111916 4.384 -2.142 -2.951 + 1869TIP3 H211917 4.273 -2.102 -3.044 + 1870TIP3 OH211918 4.190 -0.929 -4.020 + 1870TIP3 H111919 4.095 -0.917 -4.004 + 1870TIP3 H211920 4.204 -0.873 -4.097 + 1871TIP3 OH211921 4.154 -1.968 -3.810 + 1871TIP3 H111922 4.201 -1.886 -3.785 + 1871TIP3 H211923 4.112 -1.989 -3.725 + 1872TIP3 OH211924 4.162 -1.880 -2.893 + 1872TIP3 H111925 4.183 -1.825 -2.817 + 1872TIP3 H211926 4.236 -1.944 -2.896 + 1873TIP3 OH211927 4.198 -2.270 -3.694 + 1873TIP3 H111928 4.164 -2.192 -3.644 + 1873TIP3 H211929 4.270 -2.231 -3.746 + 1874TIP3 OH211930 3.871 -0.836 -4.041 + 1874TIP3 H111931 3.894 -0.748 -4.075 + 1874TIP3 H211932 3.873 -0.822 -3.944 + 1875TIP3 OH211933 3.768 -2.155 -4.080 + 1875TIP3 H111934 3.764 -2.080 -4.019 + 1875TIP3 H211935 3.841 -2.207 -4.044 + 1876TIP3 OH211936 3.624 -1.052 -4.157 + 1876TIP3 H111937 3.703 -1.026 -4.107 + 1876TIP3 H211938 3.661 -1.121 -4.214 + 1877TIP3 OH211939 3.432 -1.854 -4.261 + 1877TIP3 H111940 3.447 -1.760 -4.241 + 1877TIP3 H211941 3.339 -1.852 -4.291 + 1878TIP3 OH211942 3.505 -2.350 -3.376 + 1878TIP3 H111943 3.503 -2.363 -3.473 + 1878TIP3 H211944 3.481 -2.439 -3.343 + 1879TIP3 OH211945 3.404 -0.989 -3.743 + 1879TIP3 H111946 3.322 -0.939 -3.736 + 1879TIP3 H211947 3.447 -0.948 -3.818 + 1880TIP3 OH211948 3.336 -0.717 -2.628 + 1880TIP3 H111949 3.405 -0.736 -2.561 + 1880TIP3 H211950 3.292 -0.801 -2.635 + 1881TIP3 OH211951 3.816 -0.802 -2.453 + 1881TIP3 H111952 3.882 -0.869 -2.427 + 1881TIP3 H211953 3.789 -0.837 -2.540 + 1882TIP3 OH211954 4.228 -0.873 -4.317 + 1882TIP3 H111955 4.145 -0.926 -4.314 + 1882TIP3 H211956 4.286 -0.936 -4.359 + 1883TIP3 OH211957 3.306 -1.338 -2.549 + 1883TIP3 H111958 3.335 -1.429 -2.571 + 1883TIP3 H211959 3.262 -1.311 -2.630 + 1884TIP3 OH211960 3.761 -1.306 -4.322 + 1884TIP3 H111961 3.785 -1.339 -4.234 + 1884TIP3 H211962 3.846 -1.310 -4.368 + 1885TIP3 OH211963 4.000 -1.330 -2.583 + 1885TIP3 H111964 3.979 -1.296 -2.671 + 1885TIP3 H211965 4.016 -1.425 -2.598 + 1886TIP3 OH211966 4.292 -1.192 -4.357 + 1886TIP3 H111967 4.307 -1.174 -4.262 + 1886TIP3 H211968 4.329 -1.280 -4.368 + 1887TIP3 OH211969 3.421 -1.636 -2.598 + 1887TIP3 H111970 3.500 -1.692 -2.599 + 1887TIP3 H211971 3.421 -1.606 -2.505 + 1888TIP3 OH211972 3.790 -1.722 -2.861 + 1888TIP3 H111973 3.741 -1.641 -2.836 + 1888TIP3 H211974 3.855 -1.687 -2.924 + 1889TIP3 OH211975 3.996 -1.658 -4.265 + 1889TIP3 H111976 3.990 -1.697 -4.352 + 1889TIP3 H211977 4.089 -1.668 -4.240 + 1890TIP3 OH211978 4.267 -1.482 -2.488 + 1890TIP3 H111979 4.354 -1.485 -2.530 + 1890TIP3 H211980 4.271 -1.559 -2.430 + 1891TIP3 OH211981 3.853 -1.993 -2.740 + 1891TIP3 H111982 3.864 -2.057 -2.813 + 1891TIP3 H211983 3.839 -1.911 -2.789 + 1892TIP3 OH211984 3.886 -2.148 -2.997 + 1892TIP3 H111985 3.938 -2.090 -3.058 + 1892TIP3 H211986 3.796 -2.143 -3.034 + 1893TIP3 OH211987 4.064 -1.609 -2.968 + 1893TIP3 H111988 4.135 -1.608 -3.033 + 1893TIP3 H211989 4.029 -1.519 -2.977 + 1894TIP3 OH211990 3.668 -1.807 -2.564 + 1894TIP3 H111991 3.618 -1.891 -2.564 + 1894TIP3 H211992 3.751 -1.833 -2.607 + 1895TIP3 OH211993 3.972 -2.409 -2.961 + 1895TIP3 H111994 3.948 -2.316 -2.979 + 1895TIP3 H211995 3.906 -2.456 -3.016 + 1896TIP3 OH211996 4.104 -1.969 -2.584 + 1896TIP3 H111997 4.060 -1.987 -2.500 + 1896TIP3 H211998 4.030 -1.987 -2.646 + 1897TIP3 OH211999 3.534 -2.062 -2.579 + 1897TIP3 H112000 3.533 -2.134 -2.643 + 1897TIP3 H212001 3.520 -2.110 -2.495 + 1898TIP3 OH212002 3.944 -2.463 -2.679 + 1898TIP3 H112003 4.004 -2.539 -2.674 + 1898TIP3 H212004 3.941 -2.447 -2.775 + 1899TIP3 OH212005 4.034 -2.285 -2.483 + 1899TIP3 H112006 4.007 -2.338 -2.560 + 1899TIP3 H212007 3.974 -2.209 -2.488 + 1900TIP3 OH212008 3.957 -0.570 -4.163 + 1900TIP3 H112009 4.053 -0.569 -4.163 + 1900TIP3 H212010 3.934 -0.521 -4.243 + 1901TIP3 OH212011 3.334 -1.163 -4.197 + 1901TIP3 H112012 3.427 -1.135 -4.195 + 1901TIP3 H212013 3.333 -1.222 -4.274 + 1902TIP3 OH212014 3.237 -0.614 -3.716 + 1902TIP3 H112015 3.166 -0.654 -3.770 + 1902TIP3 H212016 3.246 -0.681 -3.644 + 1903TIP3 OH212017 3.266 -0.804 -3.516 + 1903TIP3 H112018 3.248 -0.896 -3.493 + 1903TIP3 H212019 3.326 -0.782 -3.441 + 1904TIP3 OH212020 3.281 -1.484 -3.275 + 1904TIP3 H112021 3.305 -1.470 -3.368 + 1904TIP3 H212022 3.370 -1.501 -3.237 + 1905TIP3 OH212023 3.269 -1.939 -2.653 + 1905TIP3 H112024 3.363 -1.961 -2.636 + 1905TIP3 H212025 3.225 -2.024 -2.635 + 1906TIP3 OH212026 3.334 -2.115 -3.342 + 1906TIP3 H112027 3.384 -2.199 -3.347 + 1906TIP3 H212028 3.405 -2.053 -3.319 + 1907TIP3 OH212029 3.203 -1.841 -3.241 + 1907TIP3 H112030 3.257 -1.855 -3.321 + 1907TIP3 H212031 3.241 -1.757 -3.212 + 1908TIP3 OH212032 3.253 -2.200 -3.848 + 1908TIP3 H112033 3.159 -2.205 -3.871 + 1908TIP3 H212034 3.292 -2.146 -3.920 + 1909TIP3 OH212035 3.258 -2.303 -3.027 + 1909TIP3 H112036 3.193 -2.363 -2.990 + 1909TIP3 H212037 3.211 -2.272 -3.106 + 1910TIP3 OH212038 3.443 -1.020 -2.564 + 1910TIP3 H112039 3.378 -1.017 -2.635 + 1910TIP3 H212040 3.393 -1.010 -2.482 + 1911TIP3 OH212041 3.747 -0.907 -2.982 + 1911TIP3 H112042 3.697 -0.845 -3.038 + 1911TIP3 H212043 3.838 -0.893 -3.015 + 1912TIP3 OH212044 4.220 -0.739 -2.706 + 1912TIP3 H112045 4.201 -0.785 -2.622 + 1912TIP3 H212046 4.318 -0.741 -2.703 + 1913TIP3 OH212047 3.478 -0.614 -2.957 + 1913TIP3 H112048 3.421 -0.558 -3.013 + 1913TIP3 H212049 3.435 -0.606 -2.872 + 1914TIP3 OH212050 3.747 -0.612 -3.083 + 1914TIP3 H112051 3.657 -0.626 -3.048 + 1914TIP3 H212052 3.728 -0.592 -3.175 + 1915TIP3 OH212053 4.214 -0.663 -3.163 + 1915TIP3 H112054 4.174 -0.619 -3.240 + 1915TIP3 H212055 4.217 -0.593 -3.098 + 1916TIP3 OH212056 3.916 -0.799 -3.346 + 1916TIP3 H112057 3.901 -0.888 -3.382 + 1916TIP3 H212058 3.891 -0.814 -3.254 + 1917TIP3 OH212059 4.270 -2.266 -3.405 + 1917TIP3 H112060 4.182 -2.305 -3.392 + 1917TIP3 H212061 4.291 -2.295 -3.494 + 1918TIP3 OH212062 3.506 -2.401 -3.661 + 1918TIP3 H112063 3.417 -2.404 -3.700 + 1918TIP3 H212064 3.527 -2.495 -3.656 + 1919TIP3 OH212065 3.352 -2.396 -4.087 + 1919TIP3 H112066 3.418 -2.335 -4.126 + 1919TIP3 H212067 3.330 -2.351 -4.004 + 1920TIP3 OH212068 3.932 -2.373 -3.665 + 1920TIP3 H112069 4.025 -2.345 -3.671 + 1920TIP3 H212070 3.925 -2.385 -3.570 + 1921TIP3 OH212071 3.366 -0.810 -3.966 + 1921TIP3 H112072 3.295 -0.811 -4.033 + 1921TIP3 H212073 3.368 -0.717 -3.941 + 1922TIP3 OH212074 3.527 -2.228 -4.232 + 1922TIP3 H112075 3.584 -2.288 -4.281 + 1922TIP3 H212076 3.592 -2.177 -4.181 + 1923TIP3 OH212077 4.072 -2.209 -3.965 + 1923TIP3 H112078 4.064 -2.266 -3.886 + 1923TIP3 H212079 4.055 -2.121 -3.928 + 1924TIP3 OH212080 4.266 -0.653 -4.149 + 1924TIP3 H112081 4.357 -0.622 -4.167 + 1924TIP3 H212082 4.251 -0.714 -4.225 + 1925TIP3 OH212083 3.456 -2.333 -2.697 + 1925TIP3 H112084 3.422 -2.418 -2.664 + 1925TIP3 H212085 3.550 -2.343 -2.676 + 1926TIP3 OH212086 3.697 -2.394 -2.528 + 1926TIP3 H112087 3.781 -2.427 -2.566 + 1926TIP3 H212088 3.665 -2.474 -2.483 + 1927TIP3 OH212089 3.573 -0.697 -4.231 + 1927TIP3 H112090 3.526 -0.686 -4.147 + 1927TIP3 H212091 3.635 -0.769 -4.212 + 1928TIP3 OH212092 -3.173 0.402 -3.669 + 1928TIP3 H112093 -3.175 0.493 -3.635 + 1928TIP3 H212094 -3.246 0.401 -3.732 + 1929TIP3 OH212095 -4.033 0.311 -3.152 + 1929TIP3 H112096 -4.035 0.234 -3.093 + 1929TIP3 H212097 -3.952 0.354 -3.122 + 1930TIP3 OH212098 -2.905 0.621 -3.489 + 1930TIP3 H112099 -2.959 0.548 -3.452 + 1930TIP3 H212100 -2.879 0.665 -3.408 + 1931TIP3 OH212101 -3.974 0.751 -3.286 + 1931TIP3 H112102 -3.978 0.667 -3.339 + 1931TIP3 H212103 -3.878 0.757 -3.275 + 1932TIP3 OH212104 -4.173 0.204 -3.838 + 1932TIP3 H112105 -4.227 0.266 -3.785 + 1932TIP3 H212106 -4.214 0.121 -3.814 + 1933TIP3 OH212107 -4.207 0.358 -3.578 + 1933TIP3 H112108 -4.186 0.278 -3.528 + 1933TIP3 H212109 -4.124 0.380 -3.620 + 1934TIP3 OH212110 -3.183 1.166 -3.422 + 1934TIP3 H112111 -3.149 1.090 -3.474 + 1934TIP3 H212112 -3.254 1.126 -3.370 + 1935TIP3 OH212113 -3.421 0.590 -3.262 + 1935TIP3 H112114 -3.386 0.523 -3.324 + 1935TIP3 H212115 -3.338 0.605 -3.213 + 1936TIP3 OH212116 -2.554 -0.251 -3.197 + 1936TIP3 H112117 -2.539 -0.185 -3.127 + 1936TIP3 H212118 -2.499 -0.214 -3.269 + 1937TIP3 OH212119 -3.094 0.032 -3.210 + 1937TIP3 H112120 -3.082 -0.064 -3.215 + 1937TIP3 H212121 -3.102 0.055 -3.304 + 1938TIP3 OH212122 -3.804 -0.166 -3.505 + 1938TIP3 H112123 -3.784 -0.082 -3.550 + 1938TIP3 H212124 -3.835 -0.219 -3.581 + 1939TIP3 OH212125 -3.015 -0.160 -3.682 + 1939TIP3 H112126 -2.960 -0.197 -3.610 + 1939TIP3 H212127 -2.951 -0.103 -3.727 + 1940TIP3 OH212128 -4.137 0.113 -3.451 + 1940TIP3 H112129 -4.078 0.068 -3.388 + 1940TIP3 H212130 -4.124 0.058 -3.530 + 1941TIP3 OH212131 -3.596 0.247 -3.505 + 1941TIP3 H112132 -3.518 0.201 -3.468 + 1941TIP3 H212133 -3.639 0.173 -3.552 + 1942TIP3 OH212134 -2.480 -0.105 -2.950 + 1942TIP3 H112135 -2.543 -0.037 -2.981 + 1942TIP3 H212136 -2.515 -0.119 -2.860 + 1943TIP3 OH212137 -3.916 -0.283 -3.094 + 1943TIP3 H112138 -3.960 -0.238 -3.167 + 1943TIP3 H212139 -3.973 -0.264 -3.019 + 1944TIP3 OH212140 -3.167 0.698 -3.753 + 1944TIP3 H112141 -3.201 0.666 -3.836 + 1944TIP3 H212142 -3.217 0.780 -3.738 + 1945TIP3 OH212143 -3.627 0.504 -3.072 + 1945TIP3 H112144 -3.702 0.565 -3.056 + 1945TIP3 H212145 -3.562 0.559 -3.118 + 1946TIP3 OH212146 -2.826 -0.230 -3.467 + 1946TIP3 H112147 -2.878 -0.277 -3.401 + 1946TIP3 H212148 -2.784 -0.161 -3.413 + 1947TIP3 OH212149 -3.959 -0.079 -3.297 + 1947TIP3 H112150 -3.892 -0.024 -3.250 + 1947TIP3 H212151 -3.902 -0.116 -3.368 + 1948TIP3 OH212152 -3.838 0.688 -3.010 + 1948TIP3 H112153 -3.835 0.784 -3.026 + 1948TIP3 H212154 -3.917 0.677 -2.954 + 1949TIP3 OH212155 -4.183 0.653 -3.915 + 1949TIP3 H112156 -4.259 0.671 -3.975 + 1949TIP3 H212157 -4.198 0.714 -3.843 + 1950TIP3 OH212158 -2.864 0.813 -3.211 + 1950TIP3 H112159 -2.955 0.786 -3.228 + 1950TIP3 H212160 -2.845 0.878 -3.280 + 1951TIP3 OH212161 -2.816 -0.315 -3.093 + 1951TIP3 H112162 -2.894 -0.266 -3.128 + 1951TIP3 H212163 -2.746 -0.289 -3.155 + 1952TIP3 OH212164 -3.507 -0.539 -3.383 + 1952TIP3 H112165 -3.529 -0.634 -3.384 + 1952TIP3 H212166 -3.587 -0.500 -3.343 + 1953TIP3 OH212167 -3.018 0.997 -3.568 + 1953TIP3 H112168 -2.978 0.914 -3.604 + 1953TIP3 H212169 -2.946 1.061 -3.586 + 1954TIP3 OH212170 -2.877 0.789 -3.713 + 1954TIP3 H112171 -2.925 0.744 -3.784 + 1954TIP3 H212172 -2.878 0.720 -3.645 + 1955TIP3 OH212173 -2.726 0.669 -2.881 + 1955TIP3 H112174 -2.737 0.592 -2.941 + 1955TIP3 H212175 -2.697 0.738 -2.942 + 1956TIP3 OH212176 -3.300 0.351 -3.919 + 1956TIP3 H112177 -3.364 0.415 -3.956 + 1956TIP3 H212178 -3.225 0.358 -3.980 + 1957TIP3 OH212179 -3.276 0.179 -4.210 + 1957TIP3 H112180 -3.211 0.207 -4.143 + 1957TIP3 H212181 -3.220 0.118 -4.263 + 1958TIP3 OH212182 -2.545 0.289 -3.078 + 1958TIP3 H112183 -2.625 0.344 -3.068 + 1958TIP3 H212184 -2.505 0.326 -3.159 + 1959TIP3 OH212185 -2.935 0.353 -3.796 + 1959TIP3 H112186 -3.009 0.372 -3.734 + 1959TIP3 H212187 -2.878 0.297 -3.741 + 1960TIP3 OH212188 -2.960 0.206 -2.920 + 1960TIP3 H112189 -2.950 0.281 -2.859 + 1960TIP3 H212190 -3.028 0.240 -2.979 + 1961TIP3 OH212191 -3.784 0.433 -3.615 + 1961TIP3 H112192 -3.814 0.388 -3.697 + 1961TIP3 H212193 -3.719 0.369 -3.580 + 1962TIP3 OH212194 -3.643 0.771 -3.340 + 1962TIP3 H112195 -3.654 0.733 -3.428 + 1962TIP3 H212196 -3.566 0.722 -3.307 + 1963TIP3 OH212197 -3.733 0.323 -3.269 + 1963TIP3 H112198 -3.672 0.314 -3.345 + 1963TIP3 H212199 -3.680 0.377 -3.207 + 1964TIP3 OH212200 -3.639 0.753 -2.786 + 1964TIP3 H112201 -3.692 0.811 -2.730 + 1964TIP3 H212202 -3.704 0.717 -2.848 + 1965TIP3 OH212203 -3.037 0.306 -4.056 + 1965TIP3 H112204 -2.994 0.327 -3.971 + 1965TIP3 H212205 -2.974 0.346 -4.120 + 1966TIP3 OH212206 -3.958 0.392 -2.873 + 1966TIP3 H112207 -3.950 0.442 -2.790 + 1966TIP3 H212208 -4.055 0.377 -2.875 + 1967TIP3 OH212209 -3.338 0.970 -3.663 + 1967TIP3 H112210 -3.245 0.980 -3.642 + 1967TIP3 H212211 -3.354 1.042 -3.726 + 1968TIP3 OH212212 -3.837 0.964 -2.698 + 1968TIP3 H112213 -3.845 0.968 -2.795 + 1968TIP3 H212214 -3.927 0.945 -2.668 + 1969TIP3 OH212215 -2.694 -0.534 -4.075 + 1969TIP3 H112216 -2.789 -0.523 -4.055 + 1969TIP3 H212217 -2.670 -0.444 -4.101 + 1970TIP3 OH212218 -3.893 0.306 -3.868 + 1970TIP3 H112219 -3.920 0.382 -3.921 + 1970TIP3 H212220 -3.970 0.248 -3.877 + 1971TIP3 OH212221 -2.582 0.900 -4.253 + 1971TIP3 H112222 -2.557 0.977 -4.200 + 1971TIP3 H212223 -2.512 0.835 -4.236 + 1972TIP3 OH212224 -2.444 0.930 -2.723 + 1972TIP3 H112225 -2.454 0.833 -2.737 + 1972TIP3 H212226 -2.534 0.952 -2.690 + 1973TIP3 OH212227 -3.385 0.858 -2.845 + 1973TIP3 H112228 -3.372 0.932 -2.784 + 1973TIP3 H212229 -3.471 0.821 -2.816 + 1974TIP3 OH212230 -3.352 1.233 -3.845 + 1974TIP3 H112231 -3.350 1.242 -3.941 + 1974TIP3 H212232 -3.342 1.325 -3.815 + 1975TIP3 OH212233 -3.977 1.147 -3.679 + 1975TIP3 H112234 -3.953 1.106 -3.594 + 1975TIP3 H212235 -4.054 1.093 -3.704 + 1976TIP3 OH212236 -3.059 1.219 -4.026 + 1976TIP3 H112237 -3.098 1.146 -4.075 + 1976TIP3 H212238 -2.980 1.175 -3.994 + 1977TIP3 OH212239 -3.098 1.023 -3.840 + 1977TIP3 H112240 -3.144 1.108 -3.848 + 1977TIP3 H212241 -3.040 1.035 -3.763 + 1978TIP3 OH212242 -4.104 0.685 -2.887 + 1978TIP3 H112243 -4.059 0.682 -2.800 + 1978TIP3 H212244 -4.171 0.616 -2.872 + 1979TIP3 OH212245 -3.748 -0.423 -3.290 + 1979TIP3 H112246 -3.831 -0.431 -3.341 + 1979TIP3 H212247 -3.771 -0.349 -3.231 + 1980TIP3 OH212248 -3.310 -0.472 -2.928 + 1980TIP3 H112249 -3.259 -0.517 -2.859 + 1980TIP3 H212250 -3.402 -0.501 -2.911 + 1981TIP3 OH212251 -3.009 -0.089 -2.896 + 1981TIP3 H112252 -3.027 -0.105 -2.802 + 1981TIP3 H212253 -2.989 0.006 -2.897 + 1982TIP3 OH212254 -2.816 0.386 -4.251 + 1982TIP3 H112255 -2.859 0.365 -4.334 + 1982TIP3 H212256 -2.784 0.476 -4.271 + 1983TIP3 OH212257 -3.329 -0.225 -4.216 + 1983TIP3 H112258 -3.382 -0.222 -4.136 + 1983TIP3 H212259 -3.372 -0.296 -4.265 + 1984TIP3 OH212260 -3.768 0.057 -3.152 + 1984TIP3 H112261 -3.812 0.071 -3.066 + 1984TIP3 H212262 -3.753 0.148 -3.183 + 1985TIP3 OH212263 -3.771 0.062 -3.660 + 1985TIP3 H112264 -3.866 0.054 -3.680 + 1985TIP3 H212265 -3.733 0.046 -3.749 + 1986TIP3 OH212266 -3.201 0.109 -3.793 + 1986TIP3 H112267 -3.240 0.196 -3.815 + 1986TIP3 H212268 -3.135 0.098 -3.862 + 1987TIP3 OH212269 -3.277 0.140 -2.632 + 1987TIP3 H112270 -3.327 0.059 -2.606 + 1987TIP3 H212271 -3.185 0.113 -2.617 + 1988TIP3 OH212272 -3.128 0.054 -3.502 + 1988TIP3 H112273 -3.144 0.122 -3.569 + 1988TIP3 H212274 -3.103 -0.021 -3.558 + 1989TIP3 OH212275 -4.030 0.074 -2.961 + 1989TIP3 H112276 -3.986 0.109 -2.883 + 1989TIP3 H212277 -4.060 -0.012 -2.928 + 1990TIP3 OH212278 -3.651 -0.187 -4.311 + 1990TIP3 H112279 -3.688 -0.215 -4.225 + 1990TIP3 H212280 -3.727 -0.136 -4.347 + 1991TIP3 OH212281 -4.316 -0.169 -3.598 + 1991TIP3 H112282 -4.305 -0.195 -3.505 + 1991TIP3 H212283 -4.283 -0.246 -3.645 + 1992TIP3 OH212284 -4.213 -0.105 -4.014 + 1992TIP3 H112285 -4.149 -0.100 -4.086 + 1992TIP3 H212286 -4.297 -0.090 -4.059 + 1993TIP3 OH212287 -3.230 0.226 -3.029 + 1993TIP3 H112288 -3.182 0.196 -3.109 + 1993TIP3 H212289 -3.237 0.144 -2.979 + 1994TIP3 OH212290 -3.492 -0.178 -3.557 + 1994TIP3 H112291 -3.584 -0.180 -3.527 + 1994TIP3 H212292 -3.444 -0.189 -3.473 + 1995TIP3 OH212293 -4.037 -0.052 -3.695 + 1995TIP3 H112294 -4.123 -0.052 -3.739 + 1995TIP3 H212295 -3.998 -0.135 -3.729 + 1996TIP3 OH212296 -3.673 -0.020 -3.925 + 1996TIP3 H112297 -3.577 -0.014 -3.913 + 1996TIP3 H212298 -3.693 0.045 -3.994 + 1997TIP3 OH212299 -3.055 -0.266 -3.260 + 1997TIP3 H112300 -3.115 -0.263 -3.182 + 1997TIP3 H212301 -3.119 -0.293 -3.328 + 1998TIP3 OH212302 -3.817 0.101 -4.163 + 1998TIP3 H112303 -3.874 0.046 -4.219 + 1998TIP3 H212304 -3.738 0.114 -4.217 + 1999TIP3 OH212305 -2.753 1.316 -2.590 + 1999TIP3 H112306 -2.727 1.359 -2.673 + 1999TIP3 H212307 -2.683 1.345 -2.530 + 2000TIP3 OH212308 -3.950 0.588 -2.650 + 2000TIP3 H112309 -3.889 0.582 -2.574 + 2000TIP3 H212310 -4.036 0.590 -2.602 + 2001TIP3 OH212311 -3.400 0.083 -3.377 + 2001TIP3 H112312 -3.311 0.068 -3.412 + 2001TIP3 H212313 -3.398 0.030 -3.295 + 2002TIP3 OH212314 -3.872 -0.286 -3.755 + 2002TIP3 H112315 -3.915 -0.372 -3.748 + 2002TIP3 H212316 -3.787 -0.310 -3.795 + 2003TIP3 OH212317 -3.497 -0.084 -3.151 + 2003TIP3 H112318 -3.565 -0.016 -3.151 + 2003TIP3 H212319 -3.438 -0.058 -3.077 + 2004TIP3 OH212320 -3.478 0.565 -3.961 + 2004TIP3 H112321 -3.554 0.512 -3.994 + 2004TIP3 H212322 -3.495 0.567 -3.864 + 2005TIP3 OH212323 -2.786 0.476 -3.105 + 2005TIP3 H112324 -2.734 0.522 -3.172 + 2005TIP3 H212325 -2.870 0.459 -3.152 + 2006TIP3 OH212326 -3.062 -0.159 -4.188 + 2006TIP3 H112327 -3.160 -0.163 -4.185 + 2006TIP3 H212328 -3.039 -0.086 -4.126 + 2007TIP3 OH212329 -3.319 0.567 -2.838 + 2007TIP3 H112330 -3.336 0.525 -2.753 + 2007TIP3 H212331 -3.349 0.658 -2.825 + 2008TIP3 OH212332 -3.000 0.023 -3.990 + 2008TIP3 H112333 -2.915 0.005 -3.945 + 2008TIP3 H212334 -2.983 0.111 -4.030 + 2009TIP3 OH212335 -3.968 0.500 -3.388 + 2009TIP3 H112336 -3.907 0.484 -3.463 + 2009TIP3 H212337 -3.960 0.416 -3.340 + 2010TIP3 OH212338 -3.235 0.695 -4.073 + 2010TIP3 H112339 -3.258 0.782 -4.034 + 2010TIP3 H212340 -3.310 0.642 -4.042 + 2011TIP3 OH212341 -4.232 0.365 -2.834 + 2011TIP3 H112342 -4.226 0.299 -2.763 + 2011TIP3 H212343 -4.286 0.318 -2.901 + 2012TIP3 OH212344 -3.538 0.278 -2.657 + 2012TIP3 H112345 -3.563 0.254 -2.747 + 2012TIP3 H212346 -3.445 0.248 -2.655 + 2013TIP3 OH212347 -3.086 0.882 -2.881 + 2013TIP3 H112348 -3.165 0.829 -2.905 + 2013TIP3 H212349 -3.072 0.851 -2.789 + 2014TIP3 OH212350 -2.527 0.032 -4.001 + 2014TIP3 H112351 -2.593 0.015 -4.071 + 2014TIP3 H212352 -2.516 0.128 -4.016 + 2015TIP3 OH212353 -2.490 0.641 -2.727 + 2015TIP3 H112354 -2.586 0.652 -2.746 + 2015TIP3 H212355 -2.459 0.610 -2.815 + 2016TIP3 OH212356 -2.698 0.891 -3.988 + 2016TIP3 H112357 -2.737 0.815 -3.941 + 2016TIP3 H212358 -2.680 0.852 -4.076 + 2017TIP3 OH212359 -3.732 0.833 -3.643 + 2017TIP3 H112360 -3.683 0.914 -3.664 + 2017TIP3 H212361 -3.818 0.850 -3.682 + 2018TIP3 OH212362 -4.148 0.308 -4.164 + 2018TIP3 H112363 -4.077 0.370 -4.138 + 2018TIP3 H212364 -4.220 0.369 -4.184 + 2019TIP3 OH212365 -3.544 0.601 -3.693 + 2019TIP3 H112366 -3.576 0.691 -3.674 + 2019TIP3 H212367 -3.608 0.546 -3.646 + 2020TIP3 OH212368 -3.527 1.025 -3.055 + 2020TIP3 H112369 -3.471 1.103 -3.069 + 2020TIP3 H212370 -3.470 0.971 -2.997 + 2021TIP3 OH212371 -3.683 1.120 -3.735 + 2021TIP3 H112372 -3.778 1.134 -3.725 + 2021TIP3 H212373 -3.647 1.207 -3.708 + 2022TIP3 OH212374 -3.173 0.659 -3.080 + 2022TIP3 H112375 -3.218 0.599 -3.018 + 2022TIP3 H212376 -3.136 0.594 -3.145 + 2023TIP3 OH212377 -2.981 0.739 -4.198 + 2023TIP3 H112378 -2.920 0.698 -4.133 + 2023TIP3 H212379 -3.066 0.717 -4.156 + 2024TIP3 OH212380 -2.883 1.058 -2.856 + 2024TIP3 H112381 -2.959 0.998 -2.875 + 2024TIP3 H212382 -2.893 1.133 -2.917 + 2025TIP3 OH212383 -2.478 1.174 -4.153 + 2025TIP3 H112384 -2.408 1.243 -4.142 + 2025TIP3 H212385 -2.558 1.226 -4.133 + 2026TIP3 OH212386 -4.130 -0.231 -2.871 + 2026TIP3 H112387 -4.167 -0.177 -2.942 + 2026TIP3 H212388 -4.115 -0.318 -2.909 + 2027TIP3 OH212389 -2.870 0.592 -3.967 + 2027TIP3 H112390 -2.898 0.519 -3.909 + 2027TIP3 H212391 -2.773 0.586 -3.961 + 2028TIP3 OH212392 -4.130 0.952 -3.046 + 2028TIP3 H112393 -4.060 0.889 -3.027 + 2028TIP3 H212394 -4.117 1.017 -2.975 + 2029TIP3 OH212395 -3.519 0.833 -4.324 + 2029TIP3 H112396 -3.481 0.749 -4.355 + 2029TIP3 H212397 -3.576 0.802 -4.251 + 2030TIP3 OH212398 -3.666 0.786 -4.073 + 2030TIP3 H112399 -3.612 0.731 -4.015 + 2030TIP3 H212400 -3.642 0.877 -4.047 + 2031TIP3 OH212401 -3.987 0.525 -4.043 + 2031TIP3 H112402 -4.059 0.564 -3.988 + 2031TIP3 H212403 -3.938 0.605 -4.066 + 2032TIP3 OH212404 -3.217 -0.225 -3.040 + 2032TIP3 H112405 -3.152 -0.188 -2.977 + 2032TIP3 H212406 -3.257 -0.299 -2.990 + 2033TIP3 OH212407 -3.147 -0.269 -3.922 + 2033TIP3 H112408 -3.117 -0.216 -3.997 + 2033TIP3 H212409 -3.100 -0.228 -3.848 + 2034TIP3 OH212410 -3.374 0.946 -4.023 + 2034TIP3 H112411 -3.452 1.000 -4.003 + 2034TIP3 H212412 -3.323 1.006 -4.079 + 2035TIP3 OH212413 -3.408 -0.076 -3.815 + 2035TIP3 H112414 -3.328 -0.021 -3.802 + 2035TIP3 H212415 -3.433 -0.095 -3.722 + 2036TIP3 OH212416 -3.373 0.008 -2.891 + 2036TIP3 H112417 -3.355 0.064 -2.815 + 2036TIP3 H212418 -3.312 -0.066 -2.878 + 2037TIP3 OH212419 -3.343 -0.376 -3.726 + 2037TIP3 H112420 -3.360 -0.311 -3.655 + 2037TIP3 H212421 -3.270 -0.332 -3.773 + 2038TIP3 OH212422 -3.648 1.066 -4.025 + 2038TIP3 H112423 -3.645 1.152 -4.072 + 2038TIP3 H212424 -3.661 1.093 -3.932 + 2039TIP3 OH212425 -3.773 -0.269 -4.075 + 2039TIP3 H112426 -3.771 -0.193 -4.014 + 2039TIP3 H212427 -3.697 -0.321 -4.043 + 2040TIP3 OH212428 -2.726 -0.206 -2.828 + 2040TIP3 H112429 -2.806 -0.159 -2.799 + 2040TIP3 H212430 -2.739 -0.207 -2.924 + 2041TIP3 OH212431 -2.867 0.199 -3.418 + 2041TIP3 H112432 -2.962 0.210 -3.401 + 2041TIP3 H212433 -2.841 0.132 -3.352 + 2042TIP3 OH212434 -3.934 0.817 -4.153 + 2042TIP3 H112435 -3.848 0.840 -4.112 + 2042TIP3 H212436 -3.902 0.770 -4.232 + 2043TIP3 OH212437 -4.097 0.048 -4.280 + 2043TIP3 H112438 -4.101 0.130 -4.228 + 2043TIP3 H212439 -4.189 0.018 -4.283 + 2044TIP3 OH212440 -2.812 1.094 -3.261 + 2044TIP3 H112441 -2.802 1.171 -3.320 + 2044TIP3 H212442 -2.718 1.077 -3.239 + 2045TIP3 OH212443 -4.030 -0.473 -3.373 + 2045TIP3 H112444 -4.058 -0.479 -3.466 + 2045TIP3 H212445 -4.066 -0.556 -3.335 + 2046TIP3 OH212446 -4.135 0.902 -3.738 + 2046TIP3 H112447 -4.229 0.925 -3.745 + 2046TIP3 H212448 -4.102 0.924 -3.826 + 2047TIP3 OH212449 -4.213 1.166 -2.623 + 2047TIP3 H112450 -4.149 1.167 -2.549 + 2047TIP3 H212451 -4.219 1.069 -2.633 + 2048TIP3 OH212452 -3.722 1.084 -2.453 + 2048TIP3 H112453 -3.658 1.016 -2.427 + 2048TIP3 H212454 -3.749 1.051 -2.540 + 2049TIP3 OH212455 -3.302 1.013 -4.328 + 2049TIP3 H112456 -3.386 0.962 -4.324 + 2049TIP3 H212457 -3.242 0.941 -4.353 + 2050TIP3 OH212458 -3.079 0.908 -2.586 + 2050TIP3 H112459 -3.118 0.825 -2.553 + 2050TIP3 H212460 -3.009 0.926 -2.522 + 2051TIP3 OH212461 -2.797 0.948 4.200 + 2051TIP3 H112462 -2.865 0.963 4.266 + 2051TIP3 H212463 -2.729 1.008 4.233 + 2052TIP3 OH212464 -4.198 0.573 -2.568 + 2052TIP3 H112465 -4.188 0.479 -2.590 + 2052TIP3 H212466 -4.291 0.590 -2.590 + 2053TIP3 OH212467 -3.776 0.591 -4.310 + 2053TIP3 H112468 -3.760 0.525 -4.241 + 2053TIP3 H212469 -3.705 0.574 -4.372 + 2054TIP3 OH212470 -3.542 0.556 -2.582 + 2054TIP3 H112471 -3.565 0.583 -2.671 + 2054TIP3 H212472 -3.526 0.460 -2.593 + 2055TIP3 OH212473 -3.244 0.698 -4.349 + 2055TIP3 H112474 -3.230 0.706 -4.253 + 2055TIP3 H212475 -3.180 0.630 -4.374 + 2056TIP3 OH212476 -3.004 0.519 -2.834 + 2056TIP3 H112477 -2.926 0.561 -2.873 + 2056TIP3 H212478 -3.076 0.576 -2.861 + 2057TIP3 OH212479 -4.134 0.254 -2.595 + 2057TIP3 H112480 -4.060 0.190 -2.605 + 2057TIP3 H212481 -4.129 0.267 -2.499 + 2058TIP3 OH212482 -3.675 0.389 -4.090 + 2058TIP3 H112483 -3.734 0.342 -4.030 + 2058TIP3 H212484 -3.638 0.316 -4.143 + 2059TIP3 OH212485 -3.756 0.161 -2.868 + 2059TIP3 H112486 -3.797 0.243 -2.834 + 2059TIP3 H212487 -3.678 0.197 -2.915 + 2060TIP3 OH212488 -3.554 0.200 -4.277 + 2060TIP3 H112489 -3.546 0.171 -4.369 + 2060TIP3 H212490 -3.459 0.196 -4.250 + 2061TIP3 OH212491 -3.218 0.436 -2.502 + 2061TIP3 H112492 -3.129 0.417 -2.537 + 2061TIP3 H212493 -3.243 0.348 -2.469 + 2062TIP3 OH212494 -3.700 -0.111 -2.741 + 2062TIP3 H112495 -3.681 -0.176 -2.811 + 2062TIP3 H212496 -3.707 -0.029 -2.792 + 2063TIP3 OH212497 -3.656 -0.259 -2.996 + 2063TIP3 H112498 -3.600 -0.209 -3.059 + 2063TIP3 H212499 -3.744 -0.257 -3.038 + 2064TIP3 OH212500 -3.509 0.279 -2.956 + 2064TIP3 H112501 -3.418 0.265 -2.990 + 2064TIP3 H212502 -3.528 0.369 -2.988 + 2065TIP3 OH212503 -2.954 0.370 -2.615 + 2065TIP3 H112504 -2.971 0.417 -2.700 + 2065TIP3 H212505 -2.901 0.293 -2.644 + 2066TIP3 OH212506 -3.885 0.083 -2.581 + 2066TIP3 H112507 -3.936 0.004 -2.558 + 2066TIP3 H212508 -3.800 0.046 -2.607 + 2067TIP3 OH212509 -3.585 -0.529 -2.963 + 2067TIP3 H112510 -3.601 -0.434 -2.979 + 2067TIP3 H212511 -3.658 -0.570 -3.015 + 2068TIP3 OH212512 -3.456 -0.068 -2.580 + 2068TIP3 H112513 -3.486 -0.095 -2.492 + 2068TIP3 H212514 -3.534 -0.093 -2.634 + 2069TIP3 OH212515 -3.207 -0.179 -2.692 + 2069TIP3 H112516 -3.291 -0.173 -2.645 + 2069TIP3 H212517 -3.149 -0.225 -2.628 + 2070TIP3 OH212518 -3.002 -0.334 -2.524 + 2070TIP3 H112519 -3.040 -0.411 -2.481 + 2070TIP3 H212520 -2.997 -0.268 -2.453 + 2071TIP3 OH212521 -4.044 -0.208 -2.584 + 2071TIP3 H112522 -3.981 -0.266 -2.630 + 2071TIP3 H212523 -4.031 -0.237 -2.491 + 2072TIP3 OH212524 -3.599 -0.571 -2.682 + 2072TIP3 H112525 -3.554 -0.656 -2.671 + 2072TIP3 H212526 -3.600 -0.563 -2.780 + 2073TIP3 OH212527 -3.503 -0.391 -2.497 + 2073TIP3 H112528 -3.534 -0.452 -2.567 + 2073TIP3 H212529 -3.578 -0.329 -2.490 + 2074TIP3 OH212530 -3.596 1.315 -4.170 + 2074TIP3 H112531 -3.499 1.321 -4.164 + 2074TIP3 H212532 -3.617 1.373 -4.245 + 2075TIP3 OH212533 -4.190 0.760 -4.236 + 2075TIP3 H112534 -4.104 0.777 -4.192 + 2075TIP3 H212535 -4.176 0.674 -4.276 + 2076TIP3 OH212536 -4.277 1.088 -3.525 + 2076TIP3 H112537 -4.269 0.995 -3.499 + 2076TIP3 H212538 -4.243 1.133 -3.446 + 2077TIP3 OH212539 -2.518 1.207 -3.217 + 2077TIP3 H112540 -2.497 1.192 -3.124 + 2077TIP3 H212541 -2.431 1.228 -3.254 + 2078TIP3 OH212542 -2.527 1.143 -2.934 + 2078TIP3 H112543 -2.576 1.066 -2.969 + 2078TIP3 H212544 -2.473 1.099 -2.867 + 2079TIP3 OH212545 -2.725 0.688 -2.507 + 2079TIP3 H112546 -2.812 0.687 -2.466 + 2079TIP3 H212547 -2.681 0.765 -2.468 + 2080TIP3 OH212548 -2.587 0.570 -3.929 + 2080TIP3 H112549 -2.496 0.603 -3.915 + 2080TIP3 H212550 -2.593 0.505 -3.857 + 2081TIP3 OH212551 -2.542 0.368 -3.732 + 2081TIP3 H112552 -2.610 0.313 -3.688 + 2081TIP3 H212553 -2.476 0.382 -3.661 + 2082TIP3 OH212554 -2.573 0.629 -3.234 + 2082TIP3 H112555 -2.516 0.570 -3.286 + 2082TIP3 H212556 -2.548 0.717 -3.265 + 2083TIP3 OH212557 -2.692 0.923 -3.021 + 2083TIP3 H112558 -2.760 0.943 -2.955 + 2083TIP3 H212559 -2.743 0.871 -3.087 + 2084TIP3 OH212560 -2.510 0.339 -4.109 + 2084TIP3 H112561 -2.574 0.366 -4.176 + 2084TIP3 H212562 -2.531 0.402 -4.038 + 2085TIP3 OH212563 -2.689 0.078 -4.212 + 2085TIP3 H112564 -2.661 0.149 -4.273 + 2085TIP3 H212565 -2.660 -0.001 -4.258 + 2086TIP3 OH212566 -2.741 0.181 -3.651 + 2086TIP3 H112567 -2.757 0.086 -3.661 + 2086TIP3 H212568 -2.780 0.196 -3.560 + 2087TIP3 OH212569 -4.232 0.479 -3.241 + 2087TIP3 H112570 -4.242 0.454 -3.334 + 2087TIP3 H212571 -4.176 0.405 -3.208 + 2088TIP3 OH212572 -2.672 0.386 -2.774 + 2088TIP3 H112573 -2.629 0.310 -2.729 + 2088TIP3 H212574 -2.629 0.462 -2.734 + 2089TIP3 OH212575 -2.553 0.185 -2.632 + 2089TIP3 H112576 -2.635 0.131 -2.625 + 2089TIP3 H212577 -2.484 0.117 -2.623 + 2090TIP3 OH212578 -2.768 -0.222 -4.323 + 2090TIP3 H112579 -2.708 -0.268 -4.262 + 2090TIP3 H212580 -2.848 -0.277 -4.321 + 2091TIP3 OH212581 -2.768 -0.060 -3.839 + 2091TIP3 H112582 -2.741 -0.154 -3.829 + 2091TIP3 H212583 -2.686 -0.021 -3.871 + 2092TIP3 OH212584 -2.736 -0.015 -3.287 + 2092TIP3 H112585 -2.641 0.007 -3.288 + 2092TIP3 H212586 -2.756 0.001 -3.193 + 2093TIP3 OH212587 -2.722 0.062 -3.014 + 2093TIP3 H112588 -2.803 0.094 -2.969 + 2093TIP3 H212589 -2.673 0.146 -3.023 + 2094TIP3 OH212590 -4.294 -0.077 -2.661 + 2094TIP3 H112591 -4.203 -0.107 -2.640 + 2094TIP3 H212592 -4.351 -0.124 -2.600 + 2095TIP3 OH212593 -2.453 -0.518 -2.477 + 2095TIP3 H112594 -2.427 -0.584 -2.544 + 2095TIP3 H212595 -2.467 -0.438 -2.531 + 2096TIP3 OH212596 -2.714 -0.338 -3.831 + 2096TIP3 H112597 -2.705 -0.371 -3.740 + 2096TIP3 H212598 -2.790 -0.389 -3.863 + 2097TIP3 OH212599 -4.196 -0.214 -3.327 + 2097TIP3 H112600 -4.162 -0.305 -3.331 + 2097TIP3 H212601 -4.115 -0.162 -3.315 + 2098TIP3 OH212602 -4.327 0.050 -3.241 + 2098TIP3 H112603 -4.300 -0.014 -3.309 + 2098TIP3 H212604 -4.291 0.131 -3.278 + 2099TIP3 OH212605 -2.542 -0.315 -2.641 + 2099TIP3 H112606 -2.624 -0.264 -2.645 + 2099TIP3 H212607 -2.549 -0.361 -2.727 + 2100TIP3 OH212608 -2.512 -0.299 -4.176 + 2100TIP3 H112609 -2.485 -0.370 -4.235 + 2100TIP3 H212610 -2.431 -0.247 -4.168 + 2101TIP3 OH212611 -4.315 -0.338 -3.895 + 2101TIP3 H112612 -4.400 -0.314 -3.935 + 2101TIP3 H212613 -4.257 -0.267 -3.927 + 2102TIP3 OH212614 -2.830 1.197 -3.649 + 2102TIP3 H112615 -2.772 1.172 -3.723 + 2102TIP3 H212616 -2.768 1.244 -3.592 + 2103TIP3 OH212617 -4.295 -0.423 -3.053 + 2103TIP3 H112618 -4.363 -0.458 -2.993 + 2103TIP3 H212619 -4.340 -0.410 -3.137 + 2104TIP3 OH212620 -4.114 0.900 -2.599 + 2104TIP3 H112621 -4.185 0.847 -2.637 + 2104TIP3 H212622 -4.122 0.870 -2.505 + 2105TIP3 OH212623 -3.807 0.972 -3.002 + 2105TIP3 H112624 -3.831 1.060 -3.035 + 2105TIP3 H212625 -3.710 0.977 -3.016 + 2106TIP3 OH212626 -3.354 1.109 -2.696 + 2106TIP3 H112627 -3.342 1.085 -2.602 + 2106TIP3 H212628 -3.266 1.143 -2.719 + 2107TIP3 OH212629 -3.115 1.237 -2.789 + 2107TIP3 H112630 -3.048 1.168 -2.782 + 2107TIP3 H212631 -3.098 1.286 -2.706 + 2108TIP3 OH212632 -2.628 -0.498 -2.860 + 2108TIP3 H112633 -2.708 -0.460 -2.899 + 2108TIP3 H212634 -2.625 -0.587 -2.899 + 2109TIP3 OH212635 -4.077 1.269 -2.974 + 2109TIP3 H112636 -4.140 1.326 -3.021 + 2109TIP3 H212637 -4.098 1.289 -2.882 + 2110TIP3 OH212638 -3.819 1.245 -3.110 + 2110TIP3 H112639 -3.905 1.267 -3.069 + 2110TIP3 H212640 -3.814 1.312 -3.181 + 2111TIP3 OH212641 -3.291 1.234 -3.152 + 2111TIP3 H112642 -3.348 1.270 -3.222 + 2111TIP3 H212643 -3.304 1.302 -3.083 + 2112TIP3 OH212644 -2.895 1.275 -3.063 + 2112TIP3 H112645 -2.889 1.373 -3.062 + 2112TIP3 H212646 -2.827 1.255 -3.131 + 2113TIP3 OH212647 -4.128 1.152 -3.281 + 2113TIP3 H112648 -4.137 1.110 -3.194 + 2113TIP3 H212649 -4.047 1.109 -3.316 + 2114TIP3 OH212650 -3.911 1.029 -3.420 + 2114TIP3 H112651 -3.921 0.934 -3.405 + 2114TIP3 H212652 -3.818 1.044 -3.394 + 2115TIP3 OH212653 -3.627 1.070 -3.339 + 2115TIP3 H112654 -3.610 0.978 -3.366 + 2115TIP3 H212655 -3.623 1.061 -3.243 + 2116TIP3 OH212656 -3.298 -0.342 -3.413 + 2116TIP3 H112657 -3.367 -0.409 -3.397 + 2116TIP3 H212658 -3.235 -0.390 -3.469 + 2117TIP3 OH212659 -2.801 -0.548 -3.369 + 2117TIP3 H112660 -2.727 -0.495 -3.402 + 2117TIP3 H212661 -2.877 -0.506 -3.413 + 2118TIP3 OH212662 -2.592 -0.431 -3.576 + 2118TIP3 H112663 -2.520 -0.467 -3.630 + 2118TIP3 H212664 -2.565 -0.338 -3.565 + 2119TIP3 OH212665 -4.105 -0.482 -3.657 + 2119TIP3 H112666 -4.181 -0.513 -3.709 + 2119TIP3 H212667 -4.045 -0.559 -3.665 + 2120TIP3 OH212668 -4.179 -0.515 -4.082 + 2120TIP3 H112669 -4.130 -0.448 -4.133 + 2120TIP3 H212670 -4.230 -0.461 -4.020 + 2121TIP3 OH212671 -3.615 -0.486 -3.665 + 2121TIP3 H112672 -3.525 -0.454 -3.679 + 2121TIP3 H212673 -3.616 -0.496 -3.568 + 2122TIP3 OH212674 -3.056 -0.483 -3.525 + 2122TIP3 H112675 -3.030 -0.497 -3.617 + 2122TIP3 H212676 -3.094 -0.570 -3.500 + 2123TIP3 OH212677 -2.948 -0.485 -3.922 + 2123TIP3 H112678 -3.027 -0.436 -3.950 + 2123TIP3 H212679 -2.984 -0.576 -3.918 + 2124TIP3 OH212680 -4.188 1.083 -3.975 + 2124TIP3 H112681 -4.256 1.069 -4.041 + 2124TIP3 H212682 -4.181 1.179 -3.974 + 2125TIP3 OH212683 -4.010 -0.334 -4.231 + 2125TIP3 H112684 -3.962 -0.400 -4.282 + 2125TIP3 H212685 -3.939 -0.296 -4.176 + 2126TIP3 OH212686 -3.503 -0.323 -3.959 + 2126TIP3 H112687 -3.463 -0.377 -3.889 + 2126TIP3 H212688 -3.477 -0.235 -3.927 + 2127TIP3 OH212689 -3.316 1.242 -4.156 + 2127TIP3 H112690 -3.226 1.276 -4.154 + 2127TIP3 H212691 -3.313 1.178 -4.230 + 2128TIP3 OH212692 -2.643 1.159 -3.881 + 2128TIP3 H112693 -2.661 1.073 -3.925 + 2128TIP3 H212694 -2.656 1.222 -3.955 + 2129TIP3 OH212695 -3.863 -0.500 -2.541 + 2129TIP3 H112696 -3.782 -0.537 -2.579 + 2129TIP3 H212697 -3.902 -0.579 -2.499 + 2130TIP3 OH212698 -3.977 1.181 -4.243 + 2130TIP3 H112699 -4.013 1.209 -4.159 + 2130TIP3 H212700 -3.914 1.113 -4.219 + 2131TIP3 OH212701 -3.035 -0.618 -2.515 + 2131TIP3 H112702 -3.028 -0.644 -2.421 + 2131TIP3 H212703 -2.944 -0.592 -2.536 + 2132TIP3 OH212704 -2.694 1.039 -2.642 + 2132TIP3 H112705 -2.767 1.017 -2.702 + 2132TIP3 H212706 -2.715 1.132 -2.620 + 2133TIP3 OH212707 -1.274 0.404 -3.628 + 2133TIP3 H112708 -1.276 0.500 -3.616 + 2133TIP3 H212709 -1.352 0.391 -3.684 + 2134TIP3 OH212710 -1.390 0.349 -3.319 + 2134TIP3 H112711 -1.390 0.293 -3.240 + 2134TIP3 H212712 -1.417 0.286 -3.388 + 2135TIP3 OH212713 -2.141 0.307 -3.155 + 2135TIP3 H112714 -2.146 0.232 -3.093 + 2135TIP3 H212715 -2.073 0.361 -3.112 + 2136TIP3 OH212716 -1.022 0.623 -3.488 + 2136TIP3 H112717 -1.058 0.551 -3.435 + 2136TIP3 H212718 -0.991 0.683 -3.419 + 2137TIP3 OH212719 -2.076 0.772 -3.304 + 2137TIP3 H112720 -2.101 0.680 -3.328 + 2137TIP3 H212721 -1.984 0.758 -3.279 + 2138TIP3 OH212722 -2.375 0.114 -3.765 + 2138TIP3 H112723 -2.420 0.199 -3.752 + 2138TIP3 H212724 -2.446 0.061 -3.802 + 2139TIP3 OH212725 -2.295 0.359 -3.577 + 2139TIP3 H112726 -2.283 0.274 -3.530 + 2139TIP3 H212727 -2.212 0.364 -3.627 + 2140TIP3 OH212728 -1.313 1.160 -3.427 + 2140TIP3 H112729 -1.257 1.090 -3.466 + 2140TIP3 H212730 -1.343 1.118 -3.345 + 2141TIP3 OH212731 -1.540 0.601 -3.264 + 2141TIP3 H112732 -1.510 0.528 -3.320 + 2141TIP3 H212733 -1.459 0.614 -3.211 + 2142TIP3 OH212734 -0.675 -0.247 -3.201 + 2142TIP3 H112735 -0.651 -0.189 -3.127 + 2142TIP3 H212736 -0.612 -0.218 -3.269 + 2143TIP3 OH212737 -1.210 0.034 -3.213 + 2143TIP3 H112738 -1.198 -0.062 -3.205 + 2143TIP3 H212739 -1.221 0.044 -3.309 + 2144TIP3 OH212740 -1.912 -0.166 -3.506 + 2144TIP3 H112741 -1.900 -0.080 -3.550 + 2144TIP3 H212742 -1.951 -0.218 -3.579 + 2145TIP3 OH212743 -1.130 -0.152 -3.675 + 2145TIP3 H112744 -1.074 -0.194 -3.608 + 2145TIP3 H212745 -1.064 -0.106 -3.729 + 2146TIP3 OH212746 -2.243 0.111 -3.455 + 2146TIP3 H112747 -2.184 0.061 -3.396 + 2146TIP3 H212748 -2.237 0.058 -3.537 + 2147TIP3 OH212749 -1.705 0.246 -3.509 + 2147TIP3 H112750 -1.636 0.191 -3.469 + 2147TIP3 H212751 -1.757 0.179 -3.558 + 2148TIP3 OH212752 -0.602 -0.111 -2.952 + 2148TIP3 H112753 -0.663 -0.040 -2.978 + 2148TIP3 H212754 -0.618 -0.115 -2.857 + 2149TIP3 OH212755 -2.033 -0.288 -3.090 + 2149TIP3 H112756 -2.074 -0.235 -3.160 + 2149TIP3 H212757 -2.098 -0.275 -3.018 + 2150TIP3 OH212758 -1.283 0.691 -3.750 + 2150TIP3 H112759 -1.317 0.665 -3.836 + 2150TIP3 H212760 -1.331 0.774 -3.733 + 2151TIP3 OH212761 -1.739 0.502 -3.076 + 2151TIP3 H112762 -1.814 0.560 -3.051 + 2151TIP3 H212763 -1.679 0.564 -3.121 + 2152TIP3 OH212764 -0.945 -0.224 -3.470 + 2152TIP3 H112765 -0.987 -0.283 -3.405 + 2152TIP3 H212766 -0.894 -0.165 -3.412 + 2153TIP3 OH212767 -2.073 -0.082 -3.295 + 2153TIP3 H112768 -2.009 -0.025 -3.248 + 2153TIP3 H212769 -2.016 -0.119 -3.365 + 2154TIP3 OH212770 -1.940 0.689 -3.003 + 2154TIP3 H112771 -1.947 0.782 -3.033 + 2154TIP3 H212772 -2.027 0.679 -2.961 + 2155TIP3 OH212773 -2.309 0.659 -3.919 + 2155TIP3 H112774 -2.332 0.702 -4.004 + 2155TIP3 H212775 -2.296 0.734 -3.858 + 2156TIP3 OH212776 -0.965 0.804 -3.236 + 2156TIP3 H112777 -1.062 0.815 -3.236 + 2156TIP3 H212778 -0.937 0.889 -3.276 + 2157TIP3 OH212779 -0.933 -0.310 -3.085 + 2157TIP3 H112780 -1.010 -0.270 -3.130 + 2157TIP3 H212781 -0.860 -0.290 -3.148 + 2158TIP3 OH212782 -1.620 -0.537 -3.381 + 2158TIP3 H112783 -1.642 -0.632 -3.384 + 2158TIP3 H212784 -1.702 -0.499 -3.343 + 2159TIP3 OH212785 -1.137 0.999 -3.581 + 2159TIP3 H112786 -1.090 0.919 -3.612 + 2159TIP3 H212787 -1.067 1.067 -3.594 + 2160TIP3 OH212788 -0.991 0.786 -3.719 + 2160TIP3 H112789 -1.041 0.739 -3.788 + 2160TIP3 H212790 -0.996 0.721 -3.646 + 2161TIP3 OH212791 -0.840 0.670 -2.871 + 2161TIP3 H112792 -0.847 0.600 -2.939 + 2161TIP3 H212793 -0.821 0.749 -2.925 + 2162TIP3 OH212794 -1.406 0.355 -3.905 + 2162TIP3 H112795 -1.474 0.416 -3.940 + 2162TIP3 H212796 -1.334 0.364 -3.970 + 2163TIP3 OH212797 -1.389 0.180 -4.207 + 2163TIP3 H112798 -1.321 0.210 -4.144 + 2163TIP3 H212799 -1.335 0.118 -4.262 + 2164TIP3 OH212800 -0.659 0.284 -3.076 + 2164TIP3 H112801 -0.732 0.348 -3.066 + 2164TIP3 H212802 -0.613 0.319 -3.155 + 2165TIP3 OH212803 -1.058 0.357 -3.794 + 2165TIP3 H112804 -1.127 0.377 -3.727 + 2165TIP3 H212805 -0.999 0.299 -3.742 + 2166TIP3 OH212806 -1.074 0.211 -2.908 + 2166TIP3 H112807 -1.068 0.293 -2.857 + 2166TIP3 H212808 -1.140 0.238 -2.974 + 2167TIP3 OH212809 -1.897 0.435 -3.617 + 2167TIP3 H112810 -1.930 0.390 -3.698 + 2167TIP3 H212811 -1.835 0.369 -3.582 + 2168TIP3 OH212812 -1.760 0.777 -3.343 + 2168TIP3 H112813 -1.775 0.734 -3.429 + 2168TIP3 H212814 -1.682 0.728 -3.310 + 2169TIP3 OH212815 -1.840 0.315 -3.268 + 2169TIP3 H112816 -1.781 0.318 -3.346 + 2169TIP3 H212817 -1.799 0.381 -3.208 + 2170TIP3 OH212818 -1.248 0.871 -3.206 + 2170TIP3 H112819 -1.242 0.930 -3.130 + 2170TIP3 H212820 -1.269 0.785 -3.167 + 2171TIP3 OH212821 -1.749 0.756 -2.789 + 2171TIP3 H112822 -1.807 0.812 -2.735 + 2171TIP3 H212823 -1.812 0.720 -2.854 + 2172TIP3 OH212824 -1.151 0.303 -4.057 + 2172TIP3 H112825 -1.109 0.329 -3.972 + 2172TIP3 H212826 -1.090 0.345 -4.121 + 2173TIP3 OH212827 -2.066 0.391 -2.875 + 2173TIP3 H112828 -2.061 0.440 -2.792 + 2173TIP3 H212829 -2.161 0.369 -2.880 + 2174TIP3 OH212830 -1.419 0.962 -3.695 + 2174TIP3 H112831 -1.367 0.987 -3.619 + 2174TIP3 H212832 -1.465 1.043 -3.719 + 2175TIP3 OH212833 -1.947 0.969 -2.699 + 2175TIP3 H112834 -1.957 0.967 -2.796 + 2175TIP3 H212835 -2.035 0.939 -2.669 + 2176TIP3 OH212836 -0.809 -0.535 -4.078 + 2176TIP3 H112837 -0.904 -0.523 -4.055 + 2176TIP3 H212838 -0.784 -0.444 -4.100 + 2177TIP3 OH212839 -2.005 0.308 -3.863 + 2177TIP3 H112840 -2.031 0.383 -3.920 + 2177TIP3 H212841 -2.073 0.243 -3.886 + 2178TIP3 OH212842 -0.705 0.895 -4.242 + 2178TIP3 H112843 -0.672 0.983 -4.218 + 2178TIP3 H212844 -0.626 0.839 -4.239 + 2179TIP3 OH212845 -2.399 0.575 -2.990 + 2179TIP3 H112846 -2.445 0.571 -3.076 + 2179TIP3 H212847 -2.388 0.479 -2.971 + 2180TIP3 OH212848 -2.395 0.872 -3.297 + 2180TIP3 H112849 -2.306 0.835 -3.294 + 2180TIP3 H212850 -2.397 0.925 -3.217 + 2181TIP3 OH212851 -0.558 0.929 -2.722 + 2181TIP3 H112852 -0.567 0.834 -2.738 + 2181TIP3 H212853 -0.649 0.951 -2.691 + 2182TIP3 OH212854 -1.494 0.884 -2.826 + 2182TIP3 H112855 -1.490 0.955 -2.761 + 2182TIP3 H212856 -1.580 0.842 -2.806 + 2183TIP3 OH212857 -1.462 1.232 -3.846 + 2183TIP3 H112858 -1.462 1.242 -3.943 + 2183TIP3 H212859 -1.456 1.324 -3.815 + 2184TIP3 OH212860 -2.085 1.147 -3.680 + 2184TIP3 H112861 -2.066 1.102 -3.595 + 2184TIP3 H212862 -2.166 1.102 -3.705 + 2185TIP3 OH212863 -1.137 1.189 -4.146 + 2185TIP3 H112864 -1.091 1.131 -4.210 + 2185TIP3 H212865 -1.129 1.137 -4.065 + 2186TIP3 OH212866 -1.189 1.124 -3.860 + 2186TIP3 H112867 -1.283 1.136 -3.841 + 2186TIP3 H212868 -1.167 1.051 -3.799 + 2187TIP3 OH212869 -0.878 0.068 -2.674 + 2187TIP3 H112870 -0.930 0.103 -2.747 + 2187TIP3 H212871 -0.874 -0.027 -2.695 + 2188TIP3 OH212872 -2.182 0.732 -2.863 + 2188TIP3 H112873 -2.153 0.682 -2.784 + 2188TIP3 H212874 -2.255 0.677 -2.897 + 2189TIP3 OH212875 -1.862 -0.422 -3.289 + 2189TIP3 H112876 -1.945 -0.429 -3.339 + 2189TIP3 H212877 -1.885 -0.351 -3.228 + 2190TIP3 OH212878 -1.424 -0.467 -2.927 + 2190TIP3 H112879 -1.372 -0.516 -2.861 + 2190TIP3 H212880 -1.515 -0.498 -2.911 + 2191TIP3 OH212881 -1.110 -0.085 -2.873 + 2191TIP3 H112882 -1.169 -0.102 -2.798 + 2191TIP3 H212883 -1.117 0.012 -2.885 + 2192TIP3 OH212884 -0.926 0.383 -4.252 + 2192TIP3 H112885 -0.976 0.369 -4.334 + 2192TIP3 H212886 -0.897 0.474 -4.266 + 2193TIP3 OH212887 -1.442 -0.226 -4.216 + 2193TIP3 H112888 -1.497 -0.222 -4.136 + 2193TIP3 H212889 -1.487 -0.295 -4.266 + 2194TIP3 OH212890 -1.876 0.056 -3.148 + 2194TIP3 H112891 -1.934 0.065 -3.071 + 2194TIP3 H212892 -1.871 0.147 -3.183 + 2195TIP3 OH212893 -1.882 0.065 -3.661 + 2195TIP3 H112894 -1.978 0.053 -3.675 + 2195TIP3 H212895 -1.848 0.043 -3.750 + 2196TIP3 OH212896 -1.314 0.118 -3.786 + 2196TIP3 H112897 -1.355 0.201 -3.818 + 2196TIP3 H212898 -1.250 0.098 -3.857 + 2197TIP3 OH212899 -1.402 0.140 -2.647 + 2197TIP3 H112900 -1.453 0.065 -2.610 + 2197TIP3 H212901 -1.316 0.127 -2.603 + 2198TIP3 OH212902 -1.235 0.059 -3.506 + 2198TIP3 H112903 -1.263 0.116 -3.580 + 2198TIP3 H212904 -1.215 -0.023 -3.556 + 2199TIP3 OH212905 -2.138 0.072 -2.966 + 2199TIP3 H112906 -2.118 0.102 -2.876 + 2199TIP3 H212907 -2.178 -0.014 -2.948 + 2200TIP3 OH212908 -1.766 -0.187 -4.313 + 2200TIP3 H112909 -1.802 -0.213 -4.226 + 2200TIP3 H212910 -1.842 -0.136 -4.349 + 2201TIP3 OH212911 -2.453 -0.176 -3.604 + 2201TIP3 H112912 -2.396 -0.184 -3.525 + 2201TIP3 H212913 -2.404 -0.223 -3.673 + 2202TIP3 OH212914 -2.300 -0.138 -4.039 + 2202TIP3 H112915 -2.244 -0.088 -4.102 + 2202TIP3 H212916 -2.368 -0.071 -4.017 + 2203TIP3 OH212917 -1.324 0.228 -3.057 + 2203TIP3 H112918 -1.281 0.155 -3.108 + 2203TIP3 H212919 -1.360 0.178 -2.982 + 2204TIP3 OH212920 -1.605 -0.178 -3.558 + 2204TIP3 H112921 -1.700 -0.181 -3.535 + 2204TIP3 H212922 -1.564 -0.197 -3.472 + 2205TIP3 OH212923 -2.145 -0.054 -3.692 + 2205TIP3 H112924 -2.230 -0.029 -3.733 + 2205TIP3 H212925 -2.119 -0.135 -3.741 + 2206TIP3 OH212926 -1.787 -0.017 -3.923 + 2206TIP3 H112927 -1.690 -0.010 -3.916 + 2206TIP3 H212928 -1.810 0.043 -3.996 + 2207TIP3 OH212929 -1.166 -0.263 -3.257 + 2207TIP3 H112930 -1.228 -0.263 -3.181 + 2207TIP3 H212931 -1.225 -0.297 -3.326 + 2208TIP3 OH212932 -1.929 0.100 -4.159 + 2208TIP3 H112933 -1.991 0.048 -4.213 + 2208TIP3 H212934 -1.854 0.113 -4.218 + 2209TIP3 OH212935 -0.871 1.321 -2.589 + 2209TIP3 H112936 -0.840 1.358 -2.673 + 2209TIP3 H212937 -0.797 1.343 -2.530 + 2210TIP3 OH212938 -2.071 0.583 -2.644 + 2210TIP3 H112939 -2.008 0.583 -2.569 + 2210TIP3 H212940 -2.154 0.569 -2.595 + 2211TIP3 OH212941 -1.503 0.078 -3.375 + 2211TIP3 H112942 -1.430 0.032 -3.420 + 2211TIP3 H212943 -1.521 0.017 -3.300 + 2212TIP3 OH212944 -1.972 -0.282 -3.765 + 2212TIP3 H112945 -2.028 -0.359 -3.746 + 2212TIP3 H212946 -1.889 -0.323 -3.793 + 2213TIP3 OH212947 -1.605 -0.075 -3.152 + 2213TIP3 H112948 -1.684 -0.019 -3.147 + 2213TIP3 H212949 -1.557 -0.052 -3.070 + 2214TIP3 OH212950 -1.592 0.562 -3.961 + 2214TIP3 H112951 -1.668 0.511 -3.995 + 2214TIP3 H212952 -1.611 0.566 -3.864 + 2215TIP3 OH212953 -0.870 0.479 -3.087 + 2215TIP3 H112954 -0.820 0.532 -3.152 + 2215TIP3 H212955 -0.955 0.466 -3.132 + 2216TIP3 OH212956 -1.176 -0.160 -4.185 + 2216TIP3 H112957 -1.274 -0.164 -4.185 + 2216TIP3 H212958 -1.155 -0.085 -4.126 + 2217TIP3 OH212959 -1.425 0.575 -2.829 + 2217TIP3 H112960 -1.455 0.529 -2.749 + 2217TIP3 H212961 -1.466 0.662 -2.820 + 2218TIP3 OH212962 -1.115 0.024 -3.988 + 2218TIP3 H112963 -1.029 0.006 -3.946 + 2218TIP3 H212964 -1.100 0.111 -4.029 + 2219TIP3 OH212965 -2.075 0.503 -3.377 + 2219TIP3 H112966 -2.022 0.488 -3.457 + 2219TIP3 H212967 -2.071 0.417 -3.333 + 2220TIP3 OH212968 -1.348 0.696 -4.069 + 2220TIP3 H112969 -1.377 0.784 -4.037 + 2220TIP3 H212970 -1.425 0.642 -4.042 + 2221TIP3 OH212971 -2.348 0.326 -2.852 + 2221TIP3 H112972 -2.341 0.282 -2.765 + 2221TIP3 H212973 -2.420 0.275 -2.894 + 2222TIP3 OH212974 -1.653 0.285 -2.656 + 2222TIP3 H112975 -1.689 0.252 -2.740 + 2222TIP3 H212976 -1.562 0.249 -2.661 + 2223TIP3 OH212977 -1.201 0.836 -2.885 + 2223TIP3 H112978 -1.298 0.836 -2.886 + 2223TIP3 H212979 -1.182 0.843 -2.790 + 2224TIP3 OH212980 -0.642 0.033 -3.999 + 2224TIP3 H112981 -0.706 0.015 -4.071 + 2224TIP3 H212982 -0.632 0.128 -4.016 + 2225TIP3 OH212983 -0.604 0.636 -2.727 + 2225TIP3 H112984 -0.699 0.653 -2.744 + 2225TIP3 H212985 -0.572 0.613 -2.816 + 2226TIP3 OH212986 -0.823 0.889 -3.990 + 2226TIP3 H112987 -0.849 0.809 -3.942 + 2226TIP3 H212988 -0.787 0.854 -4.073 + 2227TIP3 OH212989 -1.104 0.423 -3.258 + 2227TIP3 H112990 -1.197 0.404 -3.280 + 2227TIP3 H212991 -1.060 0.349 -3.305 + 2228TIP3 OH212992 -1.840 0.829 -3.653 + 2228TIP3 H112993 -1.799 0.916 -3.666 + 2228TIP3 H212994 -1.932 0.847 -3.676 + 2229TIP3 OH212995 -2.233 0.320 -4.200 + 2229TIP3 H112996 -2.179 0.386 -4.151 + 2229TIP3 H212997 -2.323 0.340 -4.168 + 2230TIP3 OH212998 -1.657 0.599 -3.690 + 2230TIP3 H112999 -1.690 0.689 -3.675 + 2230TIP3 H213000 -1.727 0.547 -3.648 + 2231TIP3 OH213001 -1.639 1.022 -3.052 + 2231TIP3 H113002 -1.582 1.094 -3.085 + 2231TIP3 H213003 -1.577 0.973 -2.996 + 2232TIP3 OH213004 -1.796 1.120 -3.733 + 2232TIP3 H113005 -1.892 1.133 -3.724 + 2232TIP3 H213006 -1.761 1.207 -3.708 + 2233TIP3 OH213007 -1.299 0.602 -3.097 + 2233TIP3 H113008 -1.330 0.572 -3.010 + 2233TIP3 H213009 -1.227 0.539 -3.116 + 2234TIP3 OH213010 -1.089 0.716 -4.196 + 2234TIP3 H113011 -1.036 0.678 -4.124 + 2234TIP3 H213012 -1.177 0.713 -4.155 + 2235TIP3 OH213013 -1.010 1.062 -2.853 + 2235TIP3 H113014 -1.083 1.013 -2.895 + 2235TIP3 H213015 -1.000 1.139 -2.913 + 2236TIP3 OH213016 -0.591 1.171 -4.139 + 2236TIP3 H113017 -0.524 1.242 -4.145 + 2236TIP3 H213018 -0.673 1.225 -4.131 + 2237TIP3 OH213019 -2.220 -0.209 -2.894 + 2237TIP3 H113020 -2.311 -0.178 -2.911 + 2237TIP3 H213021 -2.236 -0.293 -2.847 + 2238TIP3 OH213022 -0.985 0.588 -3.967 + 2238TIP3 H113023 -1.012 0.517 -3.905 + 2238TIP3 H213024 -0.888 0.585 -3.959 + 2239TIP3 OH213025 -2.245 0.969 -3.050 + 2239TIP3 H113026 -2.218 0.877 -3.035 + 2239TIP3 H213027 -2.222 1.007 -2.965 + 2240TIP3 OH213028 -1.635 0.832 -4.326 + 2240TIP3 H113029 -1.596 0.748 -4.355 + 2240TIP3 H213030 -1.691 0.802 -4.251 + 2241TIP3 OH213031 -1.781 0.787 -4.074 + 2241TIP3 H113032 -1.727 0.733 -4.014 + 2241TIP3 H213033 -1.757 0.878 -4.047 + 2242TIP3 OH213034 -2.092 0.523 -4.037 + 2242TIP3 H113035 -2.168 0.564 -3.989 + 2242TIP3 H213036 -2.045 0.603 -4.067 + 2243TIP3 OH213037 -1.322 -0.224 -3.037 + 2243TIP3 H113038 -1.263 -0.196 -2.966 + 2243TIP3 H213039 -1.373 -0.297 -2.995 + 2244TIP3 OH213040 -1.263 -0.269 -3.921 + 2244TIP3 H113041 -1.233 -0.218 -3.998 + 2244TIP3 H213042 -1.214 -0.227 -3.849 + 2245TIP3 OH213043 -1.483 0.946 -4.027 + 2245TIP3 H113044 -1.561 0.998 -4.003 + 2245TIP3 H213045 -1.431 1.011 -4.076 + 2246TIP3 OH213046 -1.520 -0.076 -3.815 + 2246TIP3 H113047 -1.441 -0.020 -3.800 + 2246TIP3 H213048 -1.549 -0.095 -3.724 + 2247TIP3 OH213049 -1.478 0.013 -2.901 + 2247TIP3 H113050 -1.477 0.063 -2.817 + 2247TIP3 H213051 -1.429 -0.066 -2.875 + 2248TIP3 OH213052 -1.457 -0.376 -3.724 + 2248TIP3 H113053 -1.477 -0.308 -3.656 + 2248TIP3 H213054 -1.386 -0.331 -3.774 + 2249TIP3 OH213055 -1.763 1.065 -4.025 + 2249TIP3 H113056 -1.759 1.151 -4.073 + 2249TIP3 H213057 -1.776 1.093 -3.932 + 2250TIP3 OH213058 -1.885 -0.269 -4.081 + 2250TIP3 H113059 -1.894 -0.199 -4.013 + 2250TIP3 H213060 -1.811 -0.321 -4.044 + 2251TIP3 OH213061 -0.856 -0.185 -2.811 + 2251TIP3 H113062 -0.952 -0.173 -2.826 + 2251TIP3 H213063 -0.830 -0.210 -2.901 + 2252TIP3 OH213064 -1.003 0.197 -3.409 + 2252TIP3 H113065 -1.086 0.151 -3.434 + 2252TIP3 H213066 -0.955 0.126 -3.361 + 2253TIP3 OH213067 -2.051 0.823 -4.158 + 2253TIP3 H113068 -1.968 0.847 -4.114 + 2253TIP3 H213069 -2.016 0.769 -4.231 + 2254TIP3 OH213070 -2.225 0.038 -4.258 + 2254TIP3 H113071 -2.213 0.133 -4.239 + 2254TIP3 H213072 -2.317 0.036 -4.289 + 2255TIP3 OH213073 -0.905 1.085 -3.267 + 2255TIP3 H113074 -0.918 1.166 -3.320 + 2255TIP3 H213075 -0.811 1.095 -3.244 + 2256TIP3 OH213076 -2.137 -0.469 -3.371 + 2256TIP3 H113077 -2.159 -0.469 -3.467 + 2256TIP3 H213078 -2.175 -0.553 -3.340 + 2257TIP3 OH213079 -2.249 0.892 -3.742 + 2257TIP3 H113080 -2.334 0.936 -3.729 + 2257TIP3 H213081 -2.214 0.934 -3.821 + 2258TIP3 OH213082 -2.312 1.173 -2.629 + 2258TIP3 H113083 -2.254 1.142 -2.557 + 2258TIP3 H213084 -2.350 1.087 -2.659 + 2259TIP3 OH213085 -1.827 1.085 -2.461 + 2259TIP3 H113086 -1.772 1.010 -2.434 + 2259TIP3 H213087 -1.868 1.049 -2.542 + 2260TIP3 OH213088 -1.421 1.015 -4.332 + 2260TIP3 H113089 -1.501 0.959 -4.326 + 2260TIP3 H213090 -1.354 0.948 -4.351 + 2261TIP3 OH213091 -1.199 0.911 -2.581 + 2261TIP3 H113092 -1.233 0.825 -2.549 + 2261TIP3 H213093 -1.120 0.922 -2.524 + 2262TIP3 OH213094 -1.026 0.982 -4.285 + 2262TIP3 H113095 -0.980 0.911 -4.238 + 2262TIP3 H213096 -0.954 1.038 -4.321 + 2263TIP3 OH213097 -2.313 0.546 -2.523 + 2263TIP3 H113098 -2.308 0.449 -2.537 + 2263TIP3 H213099 -2.393 0.568 -2.573 + 2264TIP3 OH213100 -1.888 0.597 -4.306 + 2264TIP3 H113101 -1.878 0.525 -4.243 + 2264TIP3 H213102 -1.821 0.575 -4.373 + 2265TIP3 OH213103 -1.652 0.559 -2.584 + 2265TIP3 H113104 -1.684 0.583 -2.672 + 2265TIP3 H213105 -1.642 0.461 -2.592 + 2266TIP3 OH213106 -1.360 0.696 -4.348 + 2266TIP3 H113107 -1.342 0.709 -4.253 + 2266TIP3 H213108 -1.294 0.630 -4.372 + 2267TIP3 OH213109 -1.117 0.516 -2.843 + 2267TIP3 H113110 -1.037 0.568 -2.862 + 2267TIP3 H213111 -1.187 0.582 -2.846 + 2268TIP3 OH213112 -2.233 0.253 -2.596 + 2268TIP3 H113113 -2.169 0.179 -2.596 + 2268TIP3 H213114 -2.239 0.268 -2.500 + 2269TIP3 OH213115 -1.786 0.386 -4.088 + 2269TIP3 H113116 -1.849 0.341 -4.030 + 2269TIP3 H213117 -1.752 0.313 -4.143 + 2270TIP3 OH213118 -1.863 0.162 -2.855 + 2270TIP3 H113119 -1.917 0.240 -2.834 + 2270TIP3 H213120 -1.799 0.199 -2.918 + 2271TIP3 OH213121 -1.668 0.199 -4.276 + 2271TIP3 H113122 -1.663 0.171 -4.369 + 2271TIP3 H213123 -1.573 0.196 -4.251 + 2272TIP3 OH213124 -1.334 0.438 -2.503 + 2272TIP3 H113125 -1.244 0.413 -2.530 + 2272TIP3 H213126 -1.362 0.358 -2.456 + 2273TIP3 OH213127 -1.803 -0.105 -2.741 + 2273TIP3 H113128 -1.800 -0.173 -2.811 + 2273TIP3 H213129 -1.828 -0.025 -2.792 + 2274TIP3 OH213130 -1.771 -0.262 -2.997 + 2274TIP3 H113131 -1.721 -0.209 -3.062 + 2274TIP3 H213132 -1.863 -0.258 -3.032 + 2275TIP3 OH213133 -1.616 0.285 -2.957 + 2275TIP3 H113134 -1.533 0.274 -3.005 + 2275TIP3 H213135 -1.647 0.371 -2.989 + 2276TIP3 OH213136 -1.158 0.072 -2.474 + 2276TIP3 H113137 -1.135 -0.022 -2.467 + 2276TIP3 H213138 -1.071 0.112 -2.482 + 2277TIP3 OH213139 -1.062 0.357 -2.625 + 2277TIP3 H113140 -1.096 0.417 -2.695 + 2277TIP3 H213141 -0.973 0.339 -2.660 + 2278TIP3 OH213142 -1.980 0.080 -2.556 + 2278TIP3 H113143 -2.037 0.001 -2.551 + 2278TIP3 H213144 -1.902 0.045 -2.603 + 2279TIP3 OH213145 -1.699 -0.528 -2.962 + 2279TIP3 H113146 -1.717 -0.433 -2.977 + 2279TIP3 H213147 -1.770 -0.569 -3.015 + 2280TIP3 OH213148 -1.575 -0.069 -2.582 + 2280TIP3 H113149 -1.607 -0.094 -2.494 + 2280TIP3 H213150 -1.654 -0.090 -2.635 + 2281TIP3 OH213151 -1.319 -0.169 -2.697 + 2281TIP3 H113152 -1.407 -0.163 -2.654 + 2281TIP3 H213153 -1.272 -0.228 -2.635 + 2282TIP3 OH213154 -1.141 -0.310 -2.512 + 2282TIP3 H113155 -1.151 -0.407 -2.501 + 2282TIP3 H213156 -1.155 -0.277 -2.421 + 2283TIP3 OH213157 -2.116 -0.178 -2.576 + 2283TIP3 H113158 -2.127 -0.250 -2.640 + 2283TIP3 H213159 -2.139 -0.223 -2.492 + 2284TIP3 OH213160 -1.716 -0.581 -2.680 + 2284TIP3 H113161 -1.656 -0.656 -2.674 + 2284TIP3 H213162 -1.718 -0.564 -2.776 + 2285TIP3 OH213163 -1.618 -0.391 -2.500 + 2285TIP3 H113164 -1.653 -0.451 -2.568 + 2285TIP3 H213165 -1.689 -0.326 -2.489 + 2286TIP3 OH213166 -1.708 1.312 -4.171 + 2286TIP3 H113167 -1.612 1.326 -4.162 + 2286TIP3 H213168 -1.732 1.372 -4.243 + 2287TIP3 OH213169 -2.323 0.722 -4.195 + 2287TIP3 H113170 -2.231 0.753 -4.200 + 2287TIP3 H213171 -2.331 0.664 -4.273 + 2288TIP3 OH213172 -2.422 1.270 -3.719 + 2288TIP3 H113173 -2.494 1.233 -3.775 + 2288TIP3 H213174 -2.414 1.202 -3.650 + 2289TIP3 OH213175 -2.388 1.075 -3.519 + 2289TIP3 H113176 -2.412 0.985 -3.490 + 2289TIP3 H213177 -2.348 1.107 -3.436 + 2290TIP3 OH213178 -0.631 1.204 -3.218 + 2290TIP3 H113179 -0.612 1.195 -3.124 + 2290TIP3 H213180 -0.544 1.228 -3.253 + 2291TIP3 OH213181 -0.641 1.144 -2.931 + 2291TIP3 H113182 -0.692 1.069 -2.967 + 2291TIP3 H213183 -0.585 1.097 -2.867 + 2292TIP3 OH213184 -0.842 0.688 -2.506 + 2292TIP3 H113185 -0.924 0.683 -2.454 + 2292TIP3 H213186 -0.794 0.762 -2.467 + 2293TIP3 OH213187 -0.700 0.569 -3.930 + 2293TIP3 H113188 -0.611 0.605 -3.916 + 2293TIP3 H213189 -0.705 0.506 -3.856 + 2294TIP3 OH213190 -0.655 0.370 -3.732 + 2294TIP3 H113191 -0.722 0.315 -3.687 + 2294TIP3 H213192 -0.587 0.383 -3.663 + 2295TIP3 OH213193 -0.683 0.623 -3.235 + 2295TIP3 H113194 -0.620 0.572 -3.289 + 2295TIP3 H213195 -0.666 0.714 -3.266 + 2296TIP3 OH213196 -0.812 0.920 -3.010 + 2296TIP3 H113197 -0.886 0.951 -2.956 + 2296TIP3 H213198 -0.857 0.880 -3.086 + 2297TIP3 OH213199 -0.624 0.340 -4.109 + 2297TIP3 H113200 -0.690 0.365 -4.175 + 2297TIP3 H213201 -0.645 0.403 -4.039 + 2298TIP3 OH213202 -0.803 0.077 -4.210 + 2298TIP3 H113203 -0.780 0.149 -4.272 + 2298TIP3 H213204 -0.775 -0.001 -4.259 + 2299TIP3 OH213205 -0.862 0.185 -3.650 + 2299TIP3 H113206 -0.870 0.090 -3.665 + 2299TIP3 H213207 -0.899 0.195 -3.560 + 2300TIP3 OH213208 -2.378 0.413 -3.281 + 2300TIP3 H113209 -2.352 0.413 -3.375 + 2300TIP3 H213210 -2.293 0.387 -3.239 + 2301TIP3 OH213211 -0.801 0.380 -2.744 + 2301TIP3 H113212 -0.732 0.316 -2.716 + 2301TIP3 H213213 -0.754 0.464 -2.741 + 2302TIP3 OH213214 -0.645 0.195 -2.614 + 2302TIP3 H113215 -0.724 0.139 -2.632 + 2302TIP3 H213216 -0.574 0.128 -2.615 + 2303TIP3 OH213217 -0.882 -0.223 -4.324 + 2303TIP3 H113218 -0.823 -0.268 -4.262 + 2303TIP3 H213219 -0.964 -0.276 -4.320 + 2304TIP3 OH213220 -0.882 -0.062 -3.836 + 2304TIP3 H113221 -0.855 -0.156 -3.829 + 2304TIP3 H213222 -0.800 -0.023 -3.873 + 2305TIP3 OH213223 -0.851 -0.003 -3.289 + 2305TIP3 H113224 -0.753 0.006 -3.290 + 2305TIP3 H213225 -0.866 -0.001 -3.193 + 2306TIP3 OH213226 -0.836 0.066 -3.010 + 2306TIP3 H113227 -0.920 0.104 -2.978 + 2306TIP3 H213228 -0.782 0.146 -3.026 + 2307TIP3 OH213229 -2.381 -0.055 -2.642 + 2307TIP3 H113230 -2.290 -0.088 -2.630 + 2307TIP3 H213231 -2.434 -0.134 -2.624 + 2308TIP3 OH213232 -0.571 -0.523 -2.476 + 2308TIP3 H113233 -0.539 -0.588 -2.541 + 2308TIP3 H213234 -0.575 -0.441 -2.529 + 2309TIP3 OH213235 -0.829 -0.338 -3.831 + 2309TIP3 H113236 -0.816 -0.374 -3.742 + 2309TIP3 H213237 -0.905 -0.391 -3.862 + 2310TIP3 OH213238 -2.307 -0.224 -3.365 + 2310TIP3 H113239 -2.263 -0.309 -3.350 + 2310TIP3 H213240 -2.242 -0.163 -3.323 + 2311TIP3 OH213241 -2.451 0.043 -3.253 + 2311TIP3 H113242 -2.397 0.043 -3.334 + 2311TIP3 H213243 -2.419 0.121 -3.208 + 2312TIP3 OH213244 -0.641 -0.316 -2.652 + 2312TIP3 H113245 -0.727 -0.272 -2.643 + 2312TIP3 H213246 -0.656 -0.368 -2.733 + 2313TIP3 OH213247 -0.627 -0.299 -4.176 + 2313TIP3 H113248 -0.600 -0.371 -4.234 + 2313TIP3 H213249 -0.544 -0.248 -4.168 + 2314TIP3 OH213250 -2.404 -0.324 -3.854 + 2314TIP3 H113251 -2.500 -0.320 -3.870 + 2314TIP3 H213252 -2.368 -0.262 -3.920 + 2315TIP3 OH213253 -0.942 1.201 -3.641 + 2315TIP3 H113254 -0.896 1.177 -3.723 + 2315TIP3 H213255 -0.871 1.240 -3.589 + 2316TIP3 OH213256 -2.404 -0.441 -3.038 + 2316TIP3 H113257 -2.472 -0.454 -2.970 + 2316TIP3 H213258 -2.451 -0.381 -3.099 + 2317TIP3 OH213259 -2.202 0.889 -2.562 + 2317TIP3 H113260 -2.266 0.867 -2.631 + 2317TIP3 H213261 -2.249 0.862 -2.482 + 2318TIP3 OH213262 -1.918 0.975 -3.000 + 2318TIP3 H113263 -1.946 1.061 -3.034 + 2318TIP3 H213264 -1.822 0.981 -3.018 + 2319TIP3 OH213265 -1.287 1.227 -2.748 + 2319TIP3 H113266 -1.244 1.164 -2.809 + 2319TIP3 H213267 -1.210 1.259 -2.699 + 2320TIP3 OH213268 -0.753 -0.490 -2.857 + 2320TIP3 H113269 -0.835 -0.471 -2.906 + 2320TIP3 H213270 -0.732 -0.580 -2.888 + 2321TIP3 OH213271 -2.176 1.270 -2.966 + 2321TIP3 H113272 -2.236 1.332 -3.012 + 2321TIP3 H213273 -2.213 1.271 -2.878 + 2322TIP3 OH213274 -1.920 1.250 -3.102 + 2322TIP3 H113275 -2.007 1.268 -3.062 + 2322TIP3 H213276 -1.916 1.317 -3.174 + 2323TIP3 OH213277 -1.462 1.246 -3.154 + 2323TIP3 H113278 -1.497 1.289 -3.233 + 2323TIP3 H213279 -1.447 1.323 -3.096 + 2324TIP3 OH213280 -1.227 1.129 -3.047 + 2324TIP3 H113281 -1.308 1.154 -3.096 + 2324TIP3 H213282 -1.164 1.197 -3.076 + 2325TIP3 OH213283 -0.972 1.293 -3.046 + 2325TIP3 H113284 -0.972 1.387 -3.071 + 2325TIP3 H213285 -0.940 1.253 -3.128 + 2326TIP3 OH213286 -2.221 1.148 -3.271 + 2326TIP3 H113287 -2.223 1.098 -3.187 + 2326TIP3 H213288 -2.146 1.103 -3.316 + 2327TIP3 OH213289 -2.020 1.024 -3.427 + 2327TIP3 H113290 -2.036 0.931 -3.402 + 2327TIP3 H213291 -1.928 1.037 -3.397 + 2328TIP3 OH213292 -1.743 1.070 -3.340 + 2328TIP3 H113293 -1.725 0.976 -3.362 + 2328TIP3 H213294 -1.738 1.066 -3.243 + 2329TIP3 OH213295 -1.411 -0.341 -3.410 + 2329TIP3 H113296 -1.480 -0.408 -3.394 + 2329TIP3 H213297 -1.350 -0.388 -3.469 + 2330TIP3 OH213298 -0.916 -0.540 -3.363 + 2330TIP3 H113299 -0.840 -0.494 -3.403 + 2330TIP3 H213300 -0.991 -0.509 -3.417 + 2331TIP3 OH213301 -0.709 -0.429 -3.578 + 2331TIP3 H113302 -0.636 -0.470 -3.627 + 2331TIP3 H213303 -0.677 -0.337 -3.567 + 2332TIP3 OH213304 -2.174 -0.469 -3.655 + 2332TIP3 H113305 -2.261 -0.482 -3.698 + 2332TIP3 H213306 -2.133 -0.556 -3.668 + 2333TIP3 OH213307 -2.299 -0.514 -4.082 + 2333TIP3 H113308 -2.239 -0.449 -4.126 + 2333TIP3 H213309 -2.331 -0.461 -4.007 + 2334TIP3 OH213310 -1.729 -0.487 -3.666 + 2334TIP3 H113311 -1.637 -0.457 -3.678 + 2334TIP3 H213312 -1.733 -0.495 -3.570 + 2335TIP3 OH213313 -1.169 -0.483 -3.524 + 2335TIP3 H113314 -1.144 -0.499 -3.616 + 2335TIP3 H213315 -1.208 -0.569 -3.499 + 2336TIP3 OH213316 -1.063 -0.484 -3.922 + 2336TIP3 H113317 -1.143 -0.436 -3.950 + 2336TIP3 H213318 -1.097 -0.576 -3.917 + 2337TIP3 OH213319 -2.290 1.075 -3.963 + 2337TIP3 H113320 -2.359 1.072 -4.031 + 2337TIP3 H213321 -2.288 1.169 -3.943 + 2338TIP3 OH213322 -2.129 -0.343 -4.231 + 2338TIP3 H113323 -2.072 -0.401 -4.282 + 2338TIP3 H213324 -2.064 -0.292 -4.180 + 2339TIP3 OH213325 -1.617 -0.325 -3.960 + 2339TIP3 H113326 -1.578 -0.377 -3.888 + 2339TIP3 H213327 -1.595 -0.236 -3.928 + 2340TIP3 OH213328 -1.410 1.240 -4.147 + 2340TIP3 H113329 -1.313 1.249 -4.152 + 2340TIP3 H213330 -1.423 1.177 -4.221 + 2341TIP3 OH213331 -0.756 1.160 -3.880 + 2341TIP3 H113332 -0.779 1.075 -3.923 + 2341TIP3 H213333 -0.767 1.223 -3.953 + 2342TIP3 OH213334 -2.195 -0.446 -2.704 + 2342TIP3 H113335 -2.238 -0.524 -2.664 + 2342TIP3 H213336 -2.104 -0.457 -2.672 + 2343TIP3 OH213337 -1.957 -0.507 -2.526 + 2343TIP3 H113338 -1.876 -0.544 -2.566 + 2343TIP3 H213339 -1.994 -0.585 -2.483 + 2344TIP3 OH213340 -2.088 1.183 -4.233 + 2344TIP3 H113341 -2.130 1.206 -4.149 + 2344TIP3 H213342 -2.025 1.114 -4.209 + 2345TIP3 OH213343 -1.145 -0.594 -2.511 + 2345TIP3 H113344 -1.145 -0.635 -2.422 + 2345TIP3 H213345 -1.050 -0.598 -2.534 + 2346TIP3 OH213346 -0.810 1.037 -2.641 + 2346TIP3 H113347 -0.884 1.017 -2.701 + 2346TIP3 H213348 -0.827 1.131 -2.622 + 2347TIP3 OH213349 0.611 0.404 -3.627 + 2347TIP3 H113350 0.611 0.501 -3.617 + 2347TIP3 H213351 0.534 0.390 -3.684 + 2348TIP3 OH213352 0.494 0.350 -3.319 + 2348TIP3 H113353 0.495 0.293 -3.240 + 2348TIP3 H213354 0.470 0.286 -3.388 + 2349TIP3 OH213355 -0.256 0.308 -3.153 + 2349TIP3 H113356 -0.259 0.232 -3.092 + 2349TIP3 H213357 -0.186 0.361 -3.112 + 2350TIP3 OH213358 0.863 0.623 -3.488 + 2350TIP3 H113359 0.827 0.551 -3.435 + 2350TIP3 H213360 0.894 0.683 -3.419 + 2351TIP3 OH213361 -0.191 0.772 -3.305 + 2351TIP3 H113362 -0.215 0.680 -3.329 + 2351TIP3 H213363 -0.099 0.758 -3.278 + 2352TIP3 OH213364 -0.489 0.113 -3.766 + 2352TIP3 H113365 -0.533 0.199 -3.752 + 2352TIP3 H213366 -0.561 0.062 -3.804 + 2353TIP3 OH213367 -0.410 0.357 -3.579 + 2353TIP3 H113368 -0.397 0.274 -3.529 + 2353TIP3 H213369 -0.325 0.366 -3.623 + 2354TIP3 OH213370 0.573 1.161 -3.431 + 2354TIP3 H113371 0.629 1.088 -3.464 + 2354TIP3 H213372 0.541 1.125 -3.347 + 2355TIP3 OH213373 0.346 0.601 -3.265 + 2355TIP3 H113374 0.377 0.527 -3.320 + 2355TIP3 H213375 0.426 0.615 -3.211 + 2356TIP3 OH213376 1.211 -0.248 -3.200 + 2356TIP3 H113377 1.236 -0.188 -3.128 + 2356TIP3 H213378 1.273 -0.219 -3.270 + 2357TIP3 OH213379 0.676 0.034 -3.213 + 2357TIP3 H113380 0.688 -0.063 -3.205 + 2357TIP3 H213381 0.666 0.044 -3.309 + 2358TIP3 OH213382 -0.028 -0.166 -3.505 + 2358TIP3 H113383 -0.014 -0.080 -3.550 + 2358TIP3 H213384 -0.065 -0.218 -3.579 + 2359TIP3 OH213385 0.755 -0.150 -3.674 + 2359TIP3 H113386 0.813 -0.194 -3.608 + 2359TIP3 H213387 0.822 -0.107 -3.730 + 2360TIP3 OH213388 -0.358 0.108 -3.454 + 2360TIP3 H113389 -0.296 0.061 -3.396 + 2360TIP3 H213390 -0.350 0.057 -3.536 + 2361TIP3 OH213391 0.180 0.246 -3.509 + 2361TIP3 H113392 0.250 0.192 -3.469 + 2361TIP3 H213393 0.129 0.179 -3.557 + 2362TIP3 OH213394 1.284 -0.112 -2.951 + 2362TIP3 H113395 1.224 -0.040 -2.978 + 2362TIP3 H213396 1.265 -0.117 -2.857 + 2363TIP3 OH213397 -0.148 -0.289 -3.091 + 2363TIP3 H113398 -0.189 -0.235 -3.160 + 2363TIP3 H213399 -0.213 -0.276 -3.018 + 2364TIP3 OH213400 0.598 0.688 -3.747 + 2364TIP3 H113401 0.573 0.668 -3.838 + 2364TIP3 H213402 0.555 0.773 -3.732 + 2365TIP3 OH213403 0.146 0.502 -3.077 + 2365TIP3 H113404 0.071 0.560 -3.051 + 2365TIP3 H213405 0.207 0.565 -3.121 + 2366TIP3 OH213406 0.940 -0.224 -3.470 + 2366TIP3 H113407 0.900 -0.284 -3.405 + 2366TIP3 H213408 0.992 -0.165 -3.413 + 2367TIP3 OH213409 -0.188 -0.080 -3.295 + 2367TIP3 H113410 -0.123 -0.024 -3.247 + 2367TIP3 H213411 -0.130 -0.118 -3.364 + 2368TIP3 OH213412 -0.056 0.689 -3.006 + 2368TIP3 H113413 -0.061 0.783 -3.032 + 2368TIP3 H213414 -0.142 0.679 -2.960 + 2369TIP3 OH213415 -0.422 0.659 -3.919 + 2369TIP3 H113416 -0.447 0.703 -4.003 + 2369TIP3 H213417 -0.409 0.734 -3.857 + 2370TIP3 OH213418 0.922 0.805 -3.234 + 2370TIP3 H113419 0.825 0.816 -3.234 + 2370TIP3 H213420 0.949 0.889 -3.275 + 2371TIP3 OH213421 0.953 -0.307 -3.085 + 2371TIP3 H113422 0.875 -0.270 -3.132 + 2371TIP3 H213423 1.025 -0.290 -3.148 + 2372TIP3 OH213424 0.265 -0.537 -3.382 + 2372TIP3 H113425 0.243 -0.632 -3.385 + 2372TIP3 H213426 0.184 -0.499 -3.342 + 2373TIP3 OH213427 0.749 0.998 -3.584 + 2373TIP3 H113428 0.797 0.918 -3.614 + 2373TIP3 H213429 0.820 1.066 -3.592 + 2374TIP3 OH213430 0.892 0.787 -3.717 + 2374TIP3 H113431 0.850 0.739 -3.789 + 2374TIP3 H213432 0.890 0.720 -3.645 + 2375TIP3 OH213433 1.049 0.671 -2.872 + 2375TIP3 H113434 1.039 0.600 -2.938 + 2375TIP3 H213435 1.067 0.748 -2.927 + 2376TIP3 OH213436 0.478 0.352 -3.908 + 2376TIP3 H113437 0.415 0.418 -3.941 + 2376TIP3 H213438 0.555 0.365 -3.967 + 2377TIP3 OH213439 0.474 0.154 -4.196 + 2377TIP3 H113440 0.540 0.185 -4.132 + 2377TIP3 H213441 0.527 0.089 -4.248 + 2378TIP3 OH213442 1.227 0.285 -3.075 + 2378TIP3 H113443 1.154 0.349 -3.066 + 2378TIP3 H213444 1.273 0.319 -3.154 + 2379TIP3 OH213445 0.827 0.356 -3.794 + 2379TIP3 H113446 0.759 0.376 -3.726 + 2379TIP3 H213447 0.888 0.299 -3.742 + 2380TIP3 OH213448 0.812 0.208 -2.910 + 2380TIP3 H113449 0.816 0.289 -2.856 + 2380TIP3 H213450 0.745 0.236 -2.975 + 2381TIP3 OH213451 -0.012 0.434 -3.617 + 2381TIP3 H113452 -0.042 0.388 -3.698 + 2381TIP3 H213453 0.051 0.370 -3.580 + 2382TIP3 OH213454 0.126 0.777 -3.343 + 2382TIP3 H113455 0.112 0.733 -3.429 + 2382TIP3 H213456 0.203 0.728 -3.309 + 2383TIP3 OH213457 0.043 0.318 -3.270 + 2383TIP3 H113458 0.105 0.318 -3.345 + 2383TIP3 H213459 0.086 0.380 -3.207 + 2384TIP3 OH213460 0.641 0.873 -3.205 + 2384TIP3 H113461 0.642 0.933 -3.128 + 2384TIP3 H213462 0.617 0.788 -3.165 + 2385TIP3 OH213463 0.132 0.752 -2.788 + 2385TIP3 H113464 0.078 0.812 -2.733 + 2385TIP3 H213465 0.066 0.720 -2.852 + 2386TIP3 OH213466 0.732 0.308 -4.056 + 2386TIP3 H113467 0.777 0.330 -3.971 + 2386TIP3 H213468 0.794 0.346 -4.121 + 2387TIP3 OH213469 -0.179 0.394 -2.876 + 2387TIP3 H113470 -0.172 0.441 -2.791 + 2387TIP3 H213471 -0.273 0.370 -2.878 + 2388TIP3 OH213472 0.464 0.961 -3.694 + 2388TIP3 H113473 0.517 0.987 -3.618 + 2388TIP3 H213474 0.420 1.043 -3.719 + 2389TIP3 OH213475 -0.062 0.967 -2.701 + 2389TIP3 H113476 -0.073 0.967 -2.797 + 2389TIP3 H213477 -0.149 0.938 -2.668 + 2390TIP3 OH213478 1.078 -0.534 -4.075 + 2390TIP3 H113479 0.982 -0.523 -4.057 + 2390TIP3 H213480 1.102 -0.444 -4.102 + 2391TIP3 OH213481 -0.117 0.306 -3.868 + 2391TIP3 H113482 -0.145 0.383 -3.919 + 2391TIP3 H213483 -0.189 0.243 -3.885 + 2392TIP3 OH213484 1.180 0.884 -4.236 + 2392TIP3 H113485 1.209 0.976 -4.222 + 2392TIP3 H213486 1.264 0.836 -4.242 + 2393TIP3 OH213487 -0.517 0.575 -2.990 + 2393TIP3 H113488 -0.559 0.571 -3.078 + 2393TIP3 H213489 -0.500 0.481 -2.971 + 2394TIP3 OH213490 -0.509 0.870 -3.297 + 2394TIP3 H113491 -0.418 0.837 -3.293 + 2394TIP3 H213492 -0.512 0.927 -3.219 + 2395TIP3 OH213493 1.325 0.930 -2.719 + 2395TIP3 H113494 1.316 0.834 -2.735 + 2395TIP3 H213495 1.235 0.951 -2.687 + 2396TIP3 OH213496 0.393 0.857 -2.839 + 2396TIP3 H113497 0.397 0.938 -2.787 + 2396TIP3 H213498 0.303 0.823 -2.815 + 2397TIP3 OH213499 0.427 1.232 -3.846 + 2397TIP3 H113500 0.420 1.242 -3.942 + 2397TIP3 H213501 0.429 1.324 -3.815 + 2398TIP3 OH213502 -0.198 1.147 -3.680 + 2398TIP3 H113503 -0.182 1.101 -3.594 + 2398TIP3 H213504 -0.281 1.105 -3.706 + 2399TIP3 OH213505 0.734 1.206 -4.103 + 2399TIP3 H113506 0.782 1.163 -4.174 + 2399TIP3 H213507 0.743 1.143 -4.028 + 2400TIP3 OH213508 0.696 1.103 -3.850 + 2400TIP3 H113509 0.604 1.128 -3.832 + 2400TIP3 H213510 0.714 1.043 -3.776 + 2401TIP3 OH213511 1.007 0.065 -2.682 + 2401TIP3 H113512 0.952 0.105 -2.751 + 2401TIP3 H213513 1.008 -0.029 -2.709 + 2402TIP3 OH213514 -0.297 0.732 -2.863 + 2402TIP3 H113515 -0.267 0.683 -2.783 + 2402TIP3 H213516 -0.368 0.675 -2.897 + 2403TIP3 OH213517 0.024 -0.423 -3.289 + 2403TIP3 H113518 -0.060 -0.430 -3.338 + 2403TIP3 H213519 0.001 -0.352 -3.227 + 2404TIP3 OH213520 0.463 -0.466 -2.924 + 2404TIP3 H113521 0.512 -0.520 -2.859 + 2404TIP3 H213522 0.371 -0.495 -2.913 + 2405TIP3 OH213523 0.768 -0.088 -2.867 + 2405TIP3 H113524 0.717 -0.097 -2.785 + 2405TIP3 H213525 0.767 0.007 -2.884 + 2406TIP3 OH213526 0.949 0.384 -4.247 + 2406TIP3 H113527 0.916 0.359 -4.334 + 2406TIP3 H213528 0.990 0.469 -4.269 + 2407TIP3 OH213529 0.442 -0.225 -4.216 + 2407TIP3 H113530 0.390 -0.225 -4.135 + 2407TIP3 H213531 0.399 -0.296 -4.265 + 2408TIP3 OH213532 0.007 0.056 -3.148 + 2408TIP3 H113533 -0.045 0.067 -3.066 + 2408TIP3 H213534 0.014 0.149 -3.180 + 2409TIP3 OH213535 0.003 0.065 -3.661 + 2409TIP3 H113536 -0.093 0.052 -3.676 + 2409TIP3 H213537 0.038 0.043 -3.749 + 2410TIP3 OH213538 0.572 0.117 -3.786 + 2410TIP3 H113539 0.531 0.200 -3.820 + 2410TIP3 H213540 0.637 0.098 -3.855 + 2411TIP3 OH213541 0.470 0.129 -2.620 + 2411TIP3 H113542 0.424 0.050 -2.587 + 2411TIP3 H213543 0.559 0.116 -2.581 + 2412TIP3 OH213544 0.650 0.059 -3.506 + 2412TIP3 H113545 0.623 0.116 -3.580 + 2412TIP3 H213546 0.672 -0.023 -3.555 + 2413TIP3 OH213547 -0.258 0.075 -2.962 + 2413TIP3 H113548 -0.224 0.101 -2.875 + 2413TIP3 H213549 -0.289 -0.015 -2.944 + 2414TIP3 OH213550 0.120 -0.179 -4.311 + 2414TIP3 H113551 0.086 -0.213 -4.226 + 2414TIP3 H213552 0.040 -0.137 -4.348 + 2415TIP3 OH213553 -0.569 -0.178 -3.602 + 2415TIP3 H113554 -0.510 -0.184 -3.525 + 2415TIP3 H213555 -0.520 -0.222 -3.673 + 2416TIP3 OH213556 -0.415 -0.138 -4.040 + 2416TIP3 H113557 -0.359 -0.088 -4.102 + 2416TIP3 H213558 -0.482 -0.071 -4.017 + 2417TIP3 OH213559 0.561 0.227 -3.057 + 2417TIP3 H113560 0.604 0.155 -3.108 + 2417TIP3 H213561 0.523 0.177 -2.983 + 2418TIP3 OH213562 0.280 -0.177 -3.558 + 2418TIP3 H113563 0.186 -0.183 -3.533 + 2418TIP3 H213564 0.324 -0.197 -3.473 + 2419TIP3 OH213565 -0.260 -0.054 -3.693 + 2419TIP3 H113566 -0.344 -0.030 -3.734 + 2419TIP3 H213567 -0.234 -0.135 -3.740 + 2420TIP3 OH213568 0.099 -0.018 -3.926 + 2420TIP3 H113569 0.195 -0.016 -3.912 + 2420TIP3 H213570 0.083 0.053 -3.989 + 2421TIP3 OH213571 0.720 -0.264 -3.257 + 2421TIP3 H113572 0.657 -0.263 -3.181 + 2421TIP3 H213573 0.662 -0.297 -3.327 + 2422TIP3 OH213574 -0.051 0.113 -4.175 + 2422TIP3 H113575 -0.107 0.044 -4.214 + 2422TIP3 H213576 0.034 0.098 -4.215 + 2423TIP3 OH213577 -0.186 0.582 -2.644 + 2423TIP3 H113578 -0.121 0.584 -2.571 + 2423TIP3 H213579 -0.268 0.572 -2.592 + 2424TIP3 OH213580 0.382 0.077 -3.375 + 2424TIP3 H113581 0.456 0.033 -3.420 + 2424TIP3 H213582 0.365 0.017 -3.300 + 2425TIP3 OH213583 -0.087 -0.282 -3.767 + 2425TIP3 H113584 -0.142 -0.359 -3.746 + 2425TIP3 H213585 -0.002 -0.322 -3.791 + 2426TIP3 OH213586 0.280 -0.076 -3.151 + 2426TIP3 H113587 0.201 -0.020 -3.147 + 2426TIP3 H213588 0.330 -0.053 -3.071 + 2427TIP3 OH213589 0.295 0.562 -3.961 + 2427TIP3 H113590 0.218 0.509 -3.993 + 2427TIP3 H213591 0.276 0.568 -3.864 + 2428TIP3 OH213592 1.016 0.479 -3.086 + 2428TIP3 H113593 1.065 0.532 -3.153 + 2428TIP3 H213594 0.931 0.466 -3.132 + 2429TIP3 OH213595 0.710 -0.168 -4.172 + 2429TIP3 H113596 0.613 -0.162 -4.185 + 2429TIP3 H213597 0.733 -0.086 -4.124 + 2430TIP3 OH213598 0.465 0.569 -2.829 + 2430TIP3 H113599 0.431 0.525 -2.750 + 2430TIP3 H213600 0.423 0.656 -2.824 + 2431TIP3 OH213601 0.770 0.028 -3.986 + 2431TIP3 H113602 0.856 0.006 -3.946 + 2431TIP3 H213603 0.788 0.113 -4.030 + 2432TIP3 OH213604 -0.193 0.501 -3.379 + 2432TIP3 H113605 -0.135 0.489 -3.456 + 2432TIP3 H213606 -0.182 0.416 -3.332 + 2433TIP3 OH213607 0.540 0.697 -4.049 + 2433TIP3 H113608 0.507 0.786 -4.024 + 2433TIP3 H213609 0.461 0.643 -4.028 + 2434TIP3 OH213610 -0.466 0.329 -2.849 + 2434TIP3 H113611 -0.449 0.283 -2.764 + 2434TIP3 H213612 -0.527 0.268 -2.894 + 2435TIP3 OH213613 0.221 0.295 -2.639 + 2435TIP3 H113614 0.174 0.241 -2.704 + 2435TIP3 H213615 0.299 0.240 -2.620 + 2436TIP3 OH213616 0.692 0.843 -2.881 + 2436TIP3 H113617 0.596 0.830 -2.893 + 2436TIP3 H213618 0.700 0.840 -2.784 + 2437TIP3 OH213619 1.241 0.034 -3.998 + 2437TIP3 H113620 1.180 0.014 -4.071 + 2437TIP3 H213621 1.254 0.129 -4.017 + 2438TIP3 OH213622 1.284 0.636 -2.724 + 2438TIP3 H113623 1.189 0.653 -2.742 + 2438TIP3 H213624 1.316 0.612 -2.814 + 2439TIP3 OH213625 1.062 0.890 -3.988 + 2439TIP3 H113626 1.040 0.808 -3.943 + 2439TIP3 H213627 1.096 0.859 -4.074 + 2440TIP3 OH213628 0.781 0.423 -3.258 + 2440TIP3 H113629 0.688 0.404 -3.280 + 2440TIP3 H213630 0.826 0.349 -3.305 + 2441TIP3 OH213631 0.045 0.829 -3.656 + 2441TIP3 H113632 0.087 0.916 -3.665 + 2441TIP3 H213633 -0.047 0.849 -3.674 + 2442TIP3 OH213634 -0.348 0.323 -4.203 + 2442TIP3 H113635 -0.294 0.385 -4.150 + 2442TIP3 H213636 -0.438 0.340 -4.168 + 2443TIP3 OH213637 0.227 0.599 -3.694 + 2443TIP3 H113638 0.197 0.690 -3.675 + 2443TIP3 H213639 0.160 0.547 -3.647 + 2444TIP3 OH213640 0.245 1.026 -3.053 + 2444TIP3 H113641 0.303 1.097 -3.085 + 2444TIP3 H213642 0.306 0.973 -3.000 + 2445TIP3 OH213643 0.089 1.118 -3.731 + 2445TIP3 H113644 -0.007 1.133 -3.725 + 2445TIP3 H213645 0.123 1.207 -3.708 + 2446TIP3 OH213646 0.588 0.603 -3.096 + 2446TIP3 H113647 0.555 0.570 -3.010 + 2446TIP3 H213648 0.659 0.540 -3.116 + 2447TIP3 OH213649 0.784 0.720 -4.210 + 2447TIP3 H113650 0.852 0.698 -4.144 + 2447TIP3 H213651 0.706 0.714 -4.153 + 2448TIP3 OH213652 0.862 1.099 -2.823 + 2448TIP3 H113653 0.796 1.034 -2.857 + 2448TIP3 H213654 0.880 1.148 -2.906 + 2449TIP3 OH213655 1.294 1.174 -4.158 + 2449TIP3 H113656 1.363 1.243 -4.150 + 2449TIP3 H213657 1.215 1.227 -4.136 + 2450TIP3 OH213658 -0.334 -0.207 -2.896 + 2450TIP3 H113659 -0.426 -0.180 -2.914 + 2450TIP3 H213660 -0.347 -0.289 -2.845 + 2451TIP3 OH213661 0.900 0.592 -3.966 + 2451TIP3 H113662 0.873 0.519 -3.907 + 2451TIP3 H213663 0.997 0.586 -3.961 + 2452TIP3 OH213664 -0.359 0.969 -3.050 + 2452TIP3 H113665 -0.330 0.877 -3.034 + 2452TIP3 H213666 -0.336 1.008 -2.965 + 2453TIP3 OH213667 0.239 0.828 -4.338 + 2453TIP3 H113668 0.305 0.757 -4.350 + 2453TIP3 H213669 0.204 0.808 -4.249 + 2454TIP3 OH213670 0.109 0.784 -4.083 + 2454TIP3 H113671 0.156 0.733 -4.015 + 2454TIP3 H213672 0.125 0.876 -4.052 + 2455TIP3 OH213673 -0.208 0.527 -4.041 + 2455TIP3 H113674 -0.285 0.562 -3.990 + 2455TIP3 H213675 -0.161 0.609 -4.059 + 2456TIP3 OH213676 0.564 -0.225 -3.039 + 2456TIP3 H113677 0.623 -0.194 -2.968 + 2456TIP3 H213678 0.514 -0.298 -2.996 + 2457TIP3 OH213679 0.617 -0.266 -3.920 + 2457TIP3 H113680 0.653 -0.224 -4.001 + 2457TIP3 H213681 0.674 -0.228 -3.851 + 2458TIP3 OH213682 0.399 0.944 -4.031 + 2458TIP3 H113683 0.322 0.996 -4.003 + 2458TIP3 H213684 0.454 1.012 -4.072 + 2459TIP3 OH213685 0.361 -0.073 -3.815 + 2459TIP3 H113686 0.443 -0.022 -3.802 + 2459TIP3 H213687 0.337 -0.095 -3.723 + 2460TIP3 OH213688 0.414 0.018 -2.901 + 2460TIP3 H113689 0.402 0.066 -2.817 + 2460TIP3 H213690 0.456 -0.063 -2.869 + 2461TIP3 OH213691 0.428 -0.375 -3.725 + 2461TIP3 H113692 0.410 -0.309 -3.656 + 2461TIP3 H213693 0.501 -0.332 -3.775 + 2462TIP3 OH213694 0.129 1.061 -4.024 + 2462TIP3 H113695 0.120 1.145 -4.075 + 2462TIP3 H213696 0.108 1.091 -3.934 + 2463TIP3 OH213697 0.000 -0.268 -4.081 + 2463TIP3 H113698 -0.007 -0.201 -4.012 + 2463TIP3 H213699 0.074 -0.323 -4.047 + 2464TIP3 OH213700 1.027 -0.186 -2.811 + 2464TIP3 H113701 0.931 -0.176 -2.826 + 2464TIP3 H213702 1.053 -0.210 -2.901 + 2465TIP3 OH213703 0.882 0.197 -3.408 + 2465TIP3 H113704 0.800 0.151 -3.435 + 2465TIP3 H213705 0.930 0.126 -3.361 + 2466TIP3 OH213706 -0.172 0.822 -4.159 + 2466TIP3 H113707 -0.094 0.862 -4.117 + 2466TIP3 H213708 -0.131 0.772 -4.231 + 2467TIP3 OH213709 -0.339 0.039 -4.259 + 2467TIP3 H113710 -0.328 0.133 -4.238 + 2467TIP3 H213711 -0.431 0.035 -4.288 + 2468TIP3 OH213712 0.982 1.083 -3.271 + 2468TIP3 H113713 0.967 1.166 -3.322 + 2468TIP3 H213714 1.075 1.095 -3.246 + 2469TIP3 OH213715 -0.255 -0.467 -3.371 + 2469TIP3 H113716 -0.274 -0.470 -3.467 + 2469TIP3 H213717 -0.289 -0.553 -3.339 + 2470TIP3 OH213718 -0.366 0.887 -3.745 + 2470TIP3 H113719 -0.447 0.936 -3.726 + 2470TIP3 H213720 -0.331 0.936 -3.820 + 2471TIP3 OH213721 -0.427 1.173 -2.627 + 2471TIP3 H113722 -0.367 1.143 -2.556 + 2471TIP3 H213723 -0.463 1.088 -2.657 + 2472TIP3 OH213724 0.042 1.079 -2.448 + 2472TIP3 H113725 0.111 1.013 -2.427 + 2472TIP3 H213726 0.020 1.053 -2.539 + 2473TIP3 OH213727 0.470 1.013 -4.331 + 2473TIP3 H113728 0.387 0.962 -4.325 + 2473TIP3 H213729 0.531 0.944 -4.363 + 2474TIP3 OH213730 0.690 0.908 -2.586 + 2474TIP3 H113731 0.648 0.826 -2.554 + 2474TIP3 H213732 0.762 0.919 -2.521 + 2475TIP3 OH213733 0.681 0.820 4.216 + 2475TIP3 H113734 0.700 0.760 4.290 + 2475TIP3 H213735 0.770 0.825 4.178 + 2476TIP3 OH213736 -0.433 0.547 -2.522 + 2476TIP3 H113737 -0.424 0.452 -2.538 + 2476TIP3 H213738 -0.505 0.571 -2.583 + 2477TIP3 OH213739 0.009 0.512 -4.353 + 2477TIP3 H113740 0.009 0.505 -4.256 + 2477TIP3 H213741 0.068 0.587 -4.368 + 2478TIP3 OH213742 0.235 0.560 -2.584 + 2478TIP3 H113743 0.200 0.582 -2.672 + 2478TIP3 H213744 0.242 0.462 -2.590 + 2479TIP3 OH213745 0.494 0.683 -4.313 + 2479TIP3 H113746 0.522 0.701 -4.221 + 2479TIP3 H213747 0.570 0.633 -4.346 + 2480TIP3 OH213748 0.770 0.514 -2.844 + 2480TIP3 H113749 0.846 0.571 -2.863 + 2480TIP3 H213750 0.697 0.577 -2.844 + 2481TIP3 OH213751 -0.339 0.250 -2.598 + 2481TIP3 H113752 -0.271 0.180 -2.596 + 2481TIP3 H213753 -0.347 0.271 -2.504 + 2482TIP3 OH213754 0.099 0.391 -4.084 + 2482TIP3 H113755 0.037 0.341 -4.028 + 2482TIP3 H213756 0.122 0.324 -4.151 + 2483TIP3 OH213757 0.024 0.164 -2.854 + 2483TIP3 H113758 -0.028 0.242 -2.830 + 2483TIP3 H213759 0.095 0.202 -2.909 + 2484TIP3 OH213760 0.205 0.215 -4.318 + 2484TIP3 H113761 0.240 0.163 -4.393 + 2484TIP3 H213762 0.284 0.205 -4.260 + 2485TIP3 OH213763 0.553 0.431 -2.501 + 2485TIP3 H113764 0.642 0.408 -2.530 + 2485TIP3 H213765 0.525 0.348 -2.461 + 2486TIP3 OH213766 0.104 -0.099 -2.723 + 2486TIP3 H113767 0.102 -0.168 -2.791 + 2486TIP3 H213768 0.080 -0.019 -2.772 + 2487TIP3 OH213769 0.112 -0.262 -2.993 + 2487TIP3 H113770 0.162 -0.206 -3.055 + 2487TIP3 H213771 0.020 -0.257 -3.027 + 2488TIP3 OH213772 0.266 0.282 -2.958 + 2488TIP3 H113773 0.353 0.275 -3.001 + 2488TIP3 H213774 0.238 0.372 -2.984 + 2489TIP3 OH213775 0.720 0.073 -2.484 + 2489TIP3 H113776 0.743 -0.018 -2.465 + 2489TIP3 H213777 0.805 0.118 -2.471 + 2490TIP3 OH213778 0.824 0.355 -2.627 + 2490TIP3 H113779 0.789 0.414 -2.697 + 2490TIP3 H213780 0.913 0.337 -2.663 + 2491TIP3 OH213781 -0.086 0.079 -2.559 + 2491TIP3 H113782 -0.137 0.002 -2.529 + 2491TIP3 H213783 -0.000 0.037 -2.577 + 2492TIP3 OH213784 0.190 -0.525 -2.964 + 2492TIP3 H113785 0.168 -0.430 -2.975 + 2492TIP3 H213786 0.116 -0.567 -3.013 + 2493TIP3 OH213787 0.536 -0.167 -2.674 + 2493TIP3 H113788 0.449 -0.199 -2.646 + 2493TIP3 H213789 0.595 -0.227 -2.625 + 2494TIP3 OH213790 0.750 -0.308 -2.521 + 2494TIP3 H113791 0.735 -0.404 -2.509 + 2494TIP3 H213792 0.734 -0.271 -2.432 + 2495TIP3 OH213793 -0.248 -0.184 -2.573 + 2495TIP3 H113794 -0.242 -0.260 -2.634 + 2495TIP3 H213795 -0.256 -0.228 -2.487 + 2496TIP3 OH213796 0.174 -0.590 -2.673 + 2496TIP3 H113797 0.240 -0.662 -2.668 + 2496TIP3 H213798 0.178 -0.567 -2.768 + 2497TIP3 OH213799 0.274 -0.367 -2.533 + 2497TIP3 H113800 0.238 -0.451 -2.565 + 2497TIP3 H213801 0.196 -0.320 -2.505 + 2498TIP3 OH213802 0.180 1.314 -4.172 + 2498TIP3 H113803 0.276 1.325 -4.164 + 2498TIP3 H213804 0.156 1.373 -4.245 + 2499TIP3 OH213805 -0.439 0.716 -4.197 + 2499TIP3 H113806 -0.350 0.755 -4.197 + 2499TIP3 H213807 -0.442 0.665 -4.279 + 2500TIP3 OH213808 -0.539 1.273 -3.717 + 2500TIP3 H113809 -0.607 1.234 -3.776 + 2500TIP3 H213810 -0.529 1.202 -3.650 + 2501TIP3 OH213811 -0.500 1.073 -3.520 + 2501TIP3 H113812 -0.527 0.985 -3.489 + 2501TIP3 H213813 -0.463 1.107 -3.436 + 2502TIP3 OH213814 1.255 1.205 -3.219 + 2502TIP3 H113815 1.275 1.196 -3.125 + 2502TIP3 H213816 1.342 1.226 -3.256 + 2503TIP3 OH213817 1.243 1.148 -2.927 + 2503TIP3 H113818 1.192 1.075 -2.966 + 2503TIP3 H213819 1.303 1.097 -2.869 + 2504TIP3 OH213820 1.048 0.684 -2.505 + 2504TIP3 H113821 0.962 0.680 -2.461 + 2504TIP3 H213822 1.092 0.760 -2.463 + 2505TIP3 OH213823 1.183 0.571 -3.929 + 2505TIP3 H113824 1.273 0.606 -3.919 + 2505TIP3 H213825 1.181 0.506 -3.856 + 2506TIP3 OH213826 1.230 0.372 -3.731 + 2506TIP3 H113827 1.164 0.315 -3.687 + 2506TIP3 H213828 1.299 0.383 -3.663 + 2507TIP3 OH213829 1.204 0.623 -3.234 + 2507TIP3 H113830 1.265 0.571 -3.289 + 2507TIP3 H213831 1.220 0.714 -3.267 + 2508TIP3 OH213832 1.064 0.927 -3.005 + 2508TIP3 H113833 0.986 0.942 -2.952 + 2508TIP3 H213834 1.026 0.886 -3.085 + 2509TIP3 OH213835 1.258 0.336 -4.106 + 2509TIP3 H113836 1.199 0.367 -4.177 + 2509TIP3 H213837 1.241 0.405 -4.039 + 2510TIP3 OH213838 1.082 0.078 -4.213 + 2510TIP3 H113839 1.113 0.148 -4.272 + 2510TIP3 H213840 1.113 -0.001 -4.258 + 2511TIP3 OH213841 1.023 0.185 -3.650 + 2511TIP3 H113842 1.016 0.090 -3.667 + 2511TIP3 H213843 0.986 0.194 -3.560 + 2512TIP3 OH213844 -0.491 0.409 -3.280 + 2512TIP3 H113845 -0.464 0.412 -3.373 + 2512TIP3 H213846 -0.405 0.386 -3.238 + 2513TIP3 OH213847 1.085 0.380 -2.742 + 2513TIP3 H113848 1.155 0.317 -2.716 + 2513TIP3 H213849 1.132 0.465 -2.741 + 2514TIP3 OH213850 1.238 0.192 -2.616 + 2514TIP3 H113851 1.161 0.136 -2.639 + 2514TIP3 H213852 1.310 0.126 -2.616 + 2515TIP3 OH213853 1.003 -0.220 -4.320 + 2515TIP3 H113854 1.064 -0.269 -4.265 + 2515TIP3 H213855 0.923 -0.276 -4.321 + 2516TIP3 OH213856 1.004 -0.061 -3.836 + 2516TIP3 H113857 1.031 -0.156 -3.829 + 2516TIP3 H213858 1.085 -0.023 -3.873 + 2517TIP3 OH213859 1.035 -0.003 -3.289 + 2517TIP3 H113860 1.132 0.007 -3.291 + 2517TIP3 H213861 1.020 -0.001 -3.193 + 2518TIP3 OH213862 1.049 0.066 -3.008 + 2518TIP3 H113863 0.965 0.105 -2.980 + 2518TIP3 H213864 1.103 0.145 -3.026 + 2519TIP3 OH213865 -0.497 -0.057 -2.643 + 2519TIP3 H113866 -0.404 -0.083 -2.629 + 2519TIP3 H213867 -0.542 -0.142 -2.628 + 2520TIP3 OH213868 1.302 -0.514 -2.468 + 2520TIP3 H113869 1.349 -0.579 -2.523 + 2520TIP3 H213870 1.316 -0.431 -2.518 + 2521TIP3 OH213871 1.056 -0.337 -3.830 + 2521TIP3 H113872 1.069 -0.374 -3.741 + 2521TIP3 H213873 0.981 -0.391 -3.863 + 2522TIP3 OH213874 -0.422 -0.224 -3.362 + 2522TIP3 H113875 -0.377 -0.309 -3.350 + 2522TIP3 H213876 -0.355 -0.164 -3.324 + 2523TIP3 OH213877 -0.569 0.044 -3.257 + 2523TIP3 H113878 -0.509 0.040 -3.333 + 2523TIP3 H213879 -0.532 0.118 -3.208 + 2524TIP3 OH213880 1.248 -0.313 -2.658 + 2524TIP3 H113881 1.160 -0.273 -2.649 + 2524TIP3 H213882 1.233 -0.371 -2.735 + 2525TIP3 OH213883 1.260 -0.300 -4.175 + 2525TIP3 H113884 1.286 -0.370 -4.236 + 2525TIP3 H213885 1.341 -0.247 -4.170 + 2526TIP3 OH213886 -0.519 -0.323 -3.853 + 2526TIP3 H113887 -0.614 -0.320 -3.871 + 2526TIP3 H213888 -0.482 -0.262 -3.920 + 2527TIP3 OH213889 0.943 1.202 -3.642 + 2527TIP3 H113890 0.991 1.174 -3.721 + 2527TIP3 H213891 1.014 1.240 -3.588 + 2528TIP3 OH213892 -0.515 -0.437 -3.038 + 2528TIP3 H113893 -0.583 -0.460 -2.973 + 2528TIP3 H213894 -0.567 -0.383 -3.100 + 2529TIP3 OH213895 -0.316 0.885 -2.566 + 2529TIP3 H113896 -0.385 0.869 -2.631 + 2529TIP3 H213897 -0.360 0.866 -2.483 + 2530TIP3 OH213898 -0.032 0.973 -3.001 + 2530TIP3 H113899 -0.061 1.059 -3.034 + 2530TIP3 H213900 0.064 0.981 -3.017 + 2531TIP3 OH213901 0.455 1.142 -2.702 + 2531TIP3 H113902 0.443 1.101 -2.615 + 2531TIP3 H213903 0.547 1.119 -2.722 + 2532TIP3 OH213904 1.131 -0.491 -2.856 + 2532TIP3 H113905 1.050 -0.473 -2.907 + 2532TIP3 H213906 1.154 -0.581 -2.888 + 2533TIP3 OH213907 -0.293 1.269 -2.967 + 2533TIP3 H113908 -0.352 1.332 -3.010 + 2533TIP3 H213909 -0.327 1.271 -2.876 + 2534TIP3 OH213910 -0.042 1.248 -3.108 + 2534TIP3 H113911 -0.127 1.265 -3.064 + 2534TIP3 H213912 -0.040 1.316 -3.177 + 2535TIP3 OH213913 0.427 1.242 -3.159 + 2535TIP3 H113914 0.389 1.291 -3.235 + 2535TIP3 H213915 0.436 1.312 -3.093 + 2536TIP3 OH213916 0.656 1.127 -3.047 + 2536TIP3 H113917 0.574 1.156 -3.092 + 2536TIP3 H213918 0.716 1.200 -3.068 + 2537TIP3 OH213919 0.915 1.290 -3.046 + 2537TIP3 H113920 0.915 1.385 -3.069 + 2537TIP3 H213921 0.945 1.252 -3.131 + 2538TIP3 OH213922 -0.336 1.148 -3.272 + 2538TIP3 H113923 -0.337 1.099 -3.186 + 2538TIP3 H213924 -0.261 1.104 -3.316 + 2539TIP3 OH213925 -0.134 1.024 -3.427 + 2539TIP3 H113926 -0.150 0.930 -3.401 + 2539TIP3 H213927 -0.043 1.038 -3.397 + 2540TIP3 OH213928 0.142 1.070 -3.340 + 2540TIP3 H113929 0.160 0.977 -3.361 + 2540TIP3 H213930 0.148 1.067 -3.243 + 2541TIP3 OH213931 0.474 -0.340 -3.412 + 2541TIP3 H113932 0.405 -0.408 -3.395 + 2541TIP3 H213933 0.536 -0.389 -3.469 + 2542TIP3 OH213934 0.969 -0.539 -3.362 + 2542TIP3 H113935 1.046 -0.495 -3.404 + 2542TIP3 H213936 0.895 -0.509 -3.417 + 2543TIP3 OH213937 1.177 -0.429 -3.576 + 2543TIP3 H113938 1.249 -0.470 -3.627 + 2543TIP3 H213939 1.209 -0.337 -3.567 + 2544TIP3 OH213940 -0.289 -0.469 -3.655 + 2544TIP3 H113941 -0.376 -0.483 -3.697 + 2544TIP3 H213942 -0.247 -0.556 -3.667 + 2545TIP3 OH213943 -0.414 -0.513 -4.082 + 2545TIP3 H113944 -0.354 -0.450 -4.126 + 2545TIP3 H213945 -0.445 -0.461 -4.006 + 2546TIP3 OH213946 0.155 -0.485 -3.665 + 2546TIP3 H113947 0.247 -0.457 -3.680 + 2546TIP3 H213948 0.154 -0.495 -3.569 + 2547TIP3 OH213949 0.716 -0.483 -3.524 + 2547TIP3 H113950 0.742 -0.498 -3.616 + 2547TIP3 H213951 0.678 -0.569 -3.499 + 2548TIP3 OH213952 0.821 -0.484 -3.920 + 2548TIP3 H113953 0.743 -0.439 -3.954 + 2548TIP3 H213954 0.789 -0.576 -3.916 + 2549TIP3 OH213955 -0.405 1.071 -3.957 + 2549TIP3 H113956 -0.477 1.074 -4.023 + 2549TIP3 H213957 -0.389 1.166 -3.945 + 2550TIP3 OH213958 -0.243 -0.342 -4.230 + 2550TIP3 H113959 -0.188 -0.402 -4.282 + 2550TIP3 H213960 -0.176 -0.294 -4.179 + 2551TIP3 OH213961 0.267 -0.324 -3.959 + 2551TIP3 H113962 0.308 -0.378 -3.890 + 2551TIP3 H213963 0.293 -0.236 -3.927 + 2552TIP3 OH213964 0.463 1.241 -4.146 + 2552TIP3 H113965 0.560 1.254 -4.138 + 2552TIP3 H213966 0.461 1.181 -4.222 + 2553TIP3 OH213967 1.138 1.155 -3.880 + 2553TIP3 H113968 1.111 1.071 -3.923 + 2553TIP3 H213969 1.112 1.221 -3.948 + 2554TIP3 OH213970 -0.319 -0.448 -2.712 + 2554TIP3 H113971 -0.359 -0.525 -2.670 + 2554TIP3 H213972 -0.226 -0.459 -2.682 + 2555TIP3 OH213973 -0.084 -0.517 -2.560 + 2555TIP3 H113974 0.004 -0.545 -2.591 + 2555TIP3 H213975 -0.093 -0.569 -2.479 + 2556TIP3 OH213976 -0.166 1.193 -4.192 + 2556TIP3 H113977 -0.257 1.211 -4.164 + 2556TIP3 H213978 -0.167 1.106 -4.232 + 2557TIP3 OH213979 0.741 -0.592 -2.507 + 2557TIP3 H113980 0.738 -0.629 -2.418 + 2557TIP3 H213981 0.836 -0.598 -2.529 + 2558TIP3 OH213982 1.078 1.051 -2.640 + 2558TIP3 H113983 1.002 1.036 -2.699 + 2558TIP3 H213984 1.094 1.146 -2.648 + 2559TIP3 OH213985 2.497 0.405 -3.628 + 2559TIP3 H113986 2.495 0.501 -3.617 + 2559TIP3 H213987 2.421 0.390 -3.685 + 2560TIP3 OH213988 2.382 0.349 -3.319 + 2560TIP3 H113989 2.381 0.292 -3.241 + 2560TIP3 H213990 2.355 0.287 -3.389 + 2561TIP3 OH213991 1.628 0.308 -3.153 + 2561TIP3 H113992 1.627 0.232 -3.091 + 2561TIP3 H213993 1.700 0.361 -3.115 + 2562TIP3 OH213994 2.751 0.624 -3.488 + 2562TIP3 H113995 2.713 0.552 -3.437 + 2562TIP3 H213996 2.778 0.684 -3.418 + 2563TIP3 OH213997 1.694 0.771 -3.302 + 2563TIP3 H113998 1.671 0.680 -3.328 + 2563TIP3 H213999 1.788 0.759 -3.281 + 2564TIP3 OH214000 1.394 0.112 -3.761 + 2564TIP3 H114001 1.353 0.199 -3.754 + 2564TIP3 H214002 1.326 0.062 -3.808 + 2565TIP3 OH214003 1.476 0.358 -3.577 + 2565TIP3 H114004 1.490 0.273 -3.530 + 2565TIP3 H214005 1.558 0.366 -3.627 + 2566TIP3 OH214006 2.458 1.161 -3.430 + 2566TIP3 H114007 2.514 1.088 -3.464 + 2566TIP3 H214008 2.428 1.124 -3.346 + 2567TIP3 OH214009 2.230 0.600 -3.263 + 2567TIP3 H114010 2.262 0.528 -3.321 + 2567TIP3 H214011 2.312 0.614 -3.211 + 2568TIP3 OH214012 3.097 -0.246 -3.202 + 2568TIP3 H114013 3.124 -0.187 -3.130 + 2568TIP3 H214014 3.162 -0.221 -3.271 + 2569TIP3 OH214015 2.560 0.034 -3.213 + 2569TIP3 H114016 2.574 -0.062 -3.206 + 2569TIP3 H214017 2.551 0.045 -3.309 + 2570TIP3 OH214018 1.857 -0.166 -3.505 + 2570TIP3 H114019 1.872 -0.081 -3.550 + 2570TIP3 H214020 1.822 -0.218 -3.579 + 2571TIP3 OH214021 2.641 -0.150 -3.674 + 2571TIP3 H114022 2.699 -0.193 -3.607 + 2571TIP3 H214023 2.707 -0.107 -3.730 + 2572TIP3 OH214024 1.527 0.108 -3.454 + 2572TIP3 H114025 1.589 0.060 -3.397 + 2572TIP3 H214026 1.535 0.059 -3.537 + 2573TIP3 OH214027 2.065 0.246 -3.508 + 2573TIP3 H114028 2.135 0.191 -3.469 + 2573TIP3 H214029 2.015 0.179 -3.559 + 2574TIP3 OH214030 3.171 -0.109 -2.951 + 2574TIP3 H114031 3.109 -0.040 -2.979 + 2574TIP3 H214032 3.149 -0.116 -2.857 + 2575TIP3 OH214033 1.738 -0.287 -3.090 + 2575TIP3 H114034 1.697 -0.236 -3.161 + 2575TIP3 H214035 1.673 -0.275 -3.018 + 2576TIP3 OH214036 2.488 0.691 -3.750 + 2576TIP3 H114037 2.456 0.666 -3.838 + 2576TIP3 H214038 2.440 0.774 -3.733 + 2577TIP3 OH214039 2.032 0.502 -3.076 + 2577TIP3 H114040 1.958 0.561 -3.052 + 2577TIP3 H214041 2.093 0.563 -3.121 + 2578TIP3 OH214042 2.825 -0.224 -3.470 + 2578TIP3 H114043 2.786 -0.285 -3.406 + 2578TIP3 H214044 2.878 -0.166 -3.413 + 2579TIP3 OH214045 1.698 -0.081 -3.295 + 2579TIP3 H114046 1.763 -0.025 -3.249 + 2579TIP3 H214047 1.755 -0.119 -3.366 + 2580TIP3 OH214048 1.830 0.689 -3.003 + 2580TIP3 H114049 1.825 0.781 -3.034 + 2580TIP3 H214050 1.743 0.681 -2.960 + 2581TIP3 OH214051 1.457 0.659 -3.918 + 2581TIP3 H114052 1.442 0.700 -4.006 + 2581TIP3 H214053 1.475 0.735 -3.859 + 2582TIP3 OH214054 2.806 0.804 -3.237 + 2582TIP3 H114055 2.709 0.815 -3.236 + 2582TIP3 H214056 2.833 0.890 -3.275 + 2583TIP3 OH214057 2.840 -0.306 -3.085 + 2583TIP3 H114058 2.762 -0.270 -3.131 + 2583TIP3 H214059 2.911 -0.290 -3.149 + 2584TIP3 OH214060 2.152 -0.537 -3.381 + 2584TIP3 H114061 2.129 -0.632 -3.385 + 2584TIP3 H214062 2.070 -0.499 -3.342 + 2585TIP3 OH214063 2.635 0.998 -3.580 + 2585TIP3 H114064 2.682 0.918 -3.612 + 2585TIP3 H214065 2.703 1.067 -3.594 + 2586TIP3 OH214066 2.781 0.785 -3.720 + 2586TIP3 H114067 2.730 0.739 -3.788 + 2586TIP3 H214068 2.776 0.722 -3.646 + 2587TIP3 OH214069 2.936 0.667 -2.871 + 2587TIP3 H114070 2.924 0.601 -2.942 + 2587TIP3 H214071 2.948 0.749 -2.922 + 2588TIP3 OH214072 2.365 0.356 -3.904 + 2588TIP3 H114073 2.297 0.415 -3.941 + 2588TIP3 H214074 2.436 0.363 -3.970 + 2589TIP3 OH214075 2.383 0.178 -4.206 + 2589TIP3 H114076 2.452 0.210 -4.145 + 2589TIP3 H214077 2.436 0.118 -4.262 + 2590TIP3 OH214078 3.112 0.285 -3.076 + 2590TIP3 H114079 3.039 0.349 -3.068 + 2590TIP3 H214080 3.158 0.318 -3.155 + 2591TIP3 OH214081 2.714 0.358 -3.794 + 2591TIP3 H114082 2.644 0.377 -3.727 + 2591TIP3 H214083 2.772 0.299 -3.742 + 2592TIP3 OH214084 2.697 0.211 -2.910 + 2592TIP3 H114085 2.701 0.293 -2.858 + 2592TIP3 H214086 2.631 0.238 -2.976 + 2593TIP3 OH214087 1.872 0.434 -3.616 + 2593TIP3 H114088 1.841 0.391 -3.698 + 2593TIP3 H214089 1.937 0.369 -3.583 + 2594TIP3 OH214090 2.009 0.775 -3.342 + 2594TIP3 H114091 1.997 0.736 -3.429 + 2594TIP3 H214092 2.088 0.728 -3.310 + 2595TIP3 OH214093 1.930 0.315 -3.267 + 2595TIP3 H114094 1.987 0.317 -3.346 + 2595TIP3 H214095 1.972 0.381 -3.208 + 2596TIP3 OH214096 2.525 0.867 -3.209 + 2596TIP3 H114097 2.528 0.932 -3.137 + 2596TIP3 H214098 2.503 0.784 -3.163 + 2597TIP3 OH214099 2.015 0.748 -2.783 + 2597TIP3 H114100 1.962 0.814 -2.736 + 2597TIP3 H214101 1.952 0.719 -2.852 + 2598TIP3 OH214102 2.621 0.303 -4.057 + 2598TIP3 H114103 2.663 0.328 -3.972 + 2598TIP3 H214104 2.680 0.346 -4.121 + 2599TIP3 OH214105 1.708 0.390 -2.874 + 2599TIP3 H114106 1.712 0.443 -2.792 + 2599TIP3 H214107 1.613 0.370 -2.878 + 2600TIP3 OH214108 2.353 0.961 -3.694 + 2600TIP3 H114109 2.404 0.989 -3.617 + 2600TIP3 H214110 2.306 1.042 -3.721 + 2601TIP3 OH214111 1.825 0.967 -2.701 + 2601TIP3 H114112 1.814 0.969 -2.798 + 2601TIP3 H214113 1.737 0.938 -2.670 + 2602TIP3 OH214114 2.964 -0.533 -4.075 + 2602TIP3 H114115 2.868 -0.523 -4.056 + 2602TIP3 H214116 2.987 -0.443 -4.102 + 2603TIP3 OH214117 1.763 0.309 -3.860 + 2603TIP3 H114118 1.742 0.384 -3.920 + 2603TIP3 H214119 1.699 0.243 -3.889 + 2604TIP3 OH214120 3.072 0.903 -4.253 + 2604TIP3 H114121 3.098 0.982 -4.204 + 2604TIP3 H214122 3.142 0.838 -4.235 + 2605TIP3 OH214123 1.369 0.575 -2.990 + 2605TIP3 H114124 1.326 0.573 -3.077 + 2605TIP3 H214125 1.385 0.480 -2.973 + 2606TIP3 OH214126 1.376 0.870 -3.296 + 2606TIP3 H114127 1.467 0.837 -3.294 + 2606TIP3 H214128 1.375 0.928 -3.219 + 2607TIP3 OH214129 3.214 0.929 -2.721 + 2607TIP3 H114130 3.203 0.834 -2.737 + 2607TIP3 H214131 3.123 0.952 -2.691 + 2608TIP3 OH214132 2.279 0.852 -2.839 + 2608TIP3 H114133 2.286 0.934 -2.787 + 2608TIP3 H214134 2.188 0.822 -2.817 + 2609TIP3 OH214135 2.308 1.232 -3.846 + 2609TIP3 H114136 2.309 1.239 -3.943 + 2609TIP3 H214137 2.316 1.325 -3.817 + 2610TIP3 OH214138 1.686 1.148 -3.679 + 2610TIP3 H114139 1.705 1.102 -3.595 + 2610TIP3 H214140 1.605 1.102 -3.707 + 2611TIP3 OH214141 2.641 1.191 -4.143 + 2611TIP3 H114142 2.683 1.132 -4.210 + 2611TIP3 H214143 2.639 1.133 -4.066 + 2612TIP3 OH214144 2.583 1.124 -3.857 + 2612TIP3 H114145 2.487 1.135 -3.843 + 2612TIP3 H214146 2.602 1.050 -3.798 + 2613TIP3 OH214147 2.894 0.066 -2.679 + 2613TIP3 H114148 2.841 0.104 -2.751 + 2613TIP3 H214149 2.898 -0.028 -2.705 + 2614TIP3 OH214150 1.587 0.733 -2.863 + 2614TIP3 H114151 1.617 0.683 -2.784 + 2614TIP3 H214152 1.516 0.676 -2.898 + 2615TIP3 OH214153 1.910 -0.423 -3.289 + 2615TIP3 H114154 1.827 -0.429 -3.340 + 2615TIP3 H214155 1.887 -0.350 -3.229 + 2616TIP3 OH214156 2.349 -0.468 -2.924 + 2616TIP3 H114157 2.400 -0.520 -2.859 + 2616TIP3 H214158 2.258 -0.500 -2.910 + 2617TIP3 OH214159 2.662 -0.085 -2.872 + 2617TIP3 H114160 2.602 -0.102 -2.798 + 2617TIP3 H214161 2.654 0.011 -2.887 + 2618TIP3 OH214162 2.848 0.384 -4.251 + 2618TIP3 H114163 2.794 0.366 -4.330 + 2618TIP3 H214164 2.874 0.475 -4.270 + 2619TIP3 OH214165 2.329 -0.226 -4.216 + 2619TIP3 H114166 2.273 -0.222 -4.137 + 2619TIP3 H214167 2.285 -0.294 -4.267 + 2620TIP3 OH214168 1.895 0.056 -3.149 + 2620TIP3 H114169 1.838 0.067 -3.071 + 2620TIP3 H214170 1.902 0.147 -3.183 + 2621TIP3 OH214171 1.890 0.064 -3.660 + 2621TIP3 H114172 1.794 0.054 -3.677 + 2621TIP3 H214173 1.925 0.044 -3.750 + 2622TIP3 OH214174 2.458 0.119 -3.785 + 2622TIP3 H114175 2.417 0.201 -3.819 + 2622TIP3 H214176 2.521 0.098 -3.856 + 2623TIP3 OH214177 2.369 0.141 -2.646 + 2623TIP3 H114178 2.318 0.065 -2.611 + 2623TIP3 H214179 2.456 0.127 -2.605 + 2624TIP3 OH214180 2.536 0.059 -3.506 + 2624TIP3 H114181 2.508 0.116 -3.580 + 2624TIP3 H214182 2.557 -0.022 -3.555 + 2625TIP3 OH214183 1.628 0.074 -2.963 + 2625TIP3 H114184 1.660 0.100 -2.876 + 2625TIP3 H214185 1.595 -0.016 -2.945 + 2626TIP3 OH214186 2.002 -0.189 -4.314 + 2626TIP3 H114187 1.966 -0.214 -4.227 + 2626TIP3 H214188 1.928 -0.135 -4.349 + 2627TIP3 OH214189 1.314 -0.181 -3.600 + 2627TIP3 H114190 1.376 -0.184 -3.525 + 2627TIP3 H214191 1.364 -0.219 -3.674 + 2628TIP3 OH214192 1.472 -0.137 -4.037 + 2628TIP3 H114193 1.527 -0.089 -4.102 + 2628TIP3 H214194 1.404 -0.070 -4.018 + 2629TIP3 OH214195 2.447 0.227 -3.057 + 2629TIP3 H114196 2.490 0.155 -3.109 + 2629TIP3 H214197 2.411 0.178 -2.982 + 2630TIP3 OH214198 2.166 -0.178 -3.557 + 2630TIP3 H114199 2.072 -0.182 -3.534 + 2630TIP3 H214200 2.208 -0.197 -3.471 + 2631TIP3 OH214201 1.623 -0.056 -3.689 + 2631TIP3 H114202 1.542 -0.029 -3.736 + 2631TIP3 H214203 1.652 -0.134 -3.739 + 2632TIP3 OH214204 1.984 -0.014 -3.921 + 2632TIP3 H114205 2.081 -0.010 -3.917 + 2632TIP3 H214206 1.961 0.041 -3.998 + 2633TIP3 OH214207 2.605 -0.263 -3.255 + 2633TIP3 H114208 2.541 -0.263 -3.180 + 2633TIP3 H214209 2.548 -0.297 -3.326 + 2634TIP3 OH214210 1.845 0.096 -4.157 + 2634TIP3 H114211 1.780 0.050 -4.213 + 2634TIP3 H214212 1.916 0.118 -4.219 + 2635TIP3 OH214213 2.904 1.317 -2.588 + 2635TIP3 H114214 2.929 1.359 -2.672 + 2635TIP3 H214215 2.977 1.344 -2.530 + 2636TIP3 OH214216 1.698 0.581 -2.646 + 2636TIP3 H114217 1.764 0.586 -2.574 + 2636TIP3 H214218 1.616 0.570 -2.593 + 2637TIP3 OH214219 2.268 0.077 -3.374 + 2637TIP3 H114220 2.341 0.034 -3.421 + 2637TIP3 H214221 2.252 0.016 -3.300 + 2638TIP3 OH214222 1.799 -0.281 -3.762 + 2638TIP3 H114223 1.744 -0.359 -3.747 + 2638TIP3 H214224 1.882 -0.319 -3.796 + 2639TIP3 OH214225 2.166 -0.076 -3.151 + 2639TIP3 H114226 2.088 -0.019 -3.148 + 2639TIP3 H214227 2.214 -0.052 -3.070 + 2640TIP3 OH214228 2.179 0.562 -3.961 + 2640TIP3 H114229 2.103 0.512 -3.997 + 2640TIP3 H214230 2.160 0.565 -3.864 + 2641TIP3 OH214231 2.901 0.479 -3.086 + 2641TIP3 H114232 2.951 0.532 -3.152 + 2641TIP3 H214233 2.816 0.466 -3.132 + 2642TIP3 OH214234 2.594 -0.161 -4.181 + 2642TIP3 H114235 2.496 -0.162 -4.186 + 2642TIP3 H214236 2.615 -0.084 -4.125 + 2643TIP3 OH214237 2.345 0.564 -2.829 + 2643TIP3 H114238 2.314 0.529 -2.744 + 2643TIP3 H214239 2.312 0.655 -2.828 + 2644TIP3 OH214240 2.655 0.025 -3.986 + 2644TIP3 H114241 2.743 0.006 -3.946 + 2644TIP3 H214242 2.671 0.111 -4.030 + 2645TIP3 OH214243 1.695 0.502 -3.378 + 2645TIP3 H114244 1.749 0.490 -3.458 + 2645TIP3 H214245 1.703 0.415 -3.335 + 2646TIP3 OH214246 2.423 0.696 -4.068 + 2646TIP3 H114247 2.394 0.784 -4.037 + 2646TIP3 H214248 2.345 0.642 -4.042 + 2647TIP3 OH214249 1.421 0.328 -2.848 + 2647TIP3 H114250 1.433 0.283 -2.762 + 2647TIP3 H214251 1.360 0.269 -2.894 + 2648TIP3 OH214252 2.118 0.283 -2.657 + 2648TIP3 H114253 2.083 0.254 -2.743 + 2648TIP3 H214254 2.209 0.250 -2.662 + 2649TIP3 OH214255 2.571 0.826 -2.882 + 2649TIP3 H114256 2.474 0.829 -2.888 + 2649TIP3 H214257 2.586 0.846 -2.789 + 2650TIP3 OH214258 3.129 0.033 -3.999 + 2650TIP3 H114259 3.066 0.013 -4.071 + 2650TIP3 H214260 3.139 0.128 -4.017 + 2651TIP3 OH214261 3.168 0.633 -2.724 + 2651TIP3 H114262 3.074 0.653 -2.743 + 2651TIP3 H214263 3.201 0.612 -2.814 + 2652TIP3 OH214264 2.957 0.889 -3.990 + 2652TIP3 H114265 2.918 0.814 -3.941 + 2652TIP3 H214266 2.980 0.847 -4.074 + 2653TIP3 OH214267 2.667 0.421 -3.257 + 2653TIP3 H114268 2.574 0.405 -3.280 + 2653TIP3 H214269 2.711 0.349 -3.305 + 2654TIP3 OH214270 1.930 0.830 -3.649 + 2654TIP3 H114271 1.973 0.915 -3.666 + 2654TIP3 H214272 1.839 0.847 -3.678 + 2655TIP3 OH214273 1.539 0.318 -4.198 + 2655TIP3 H114274 1.594 0.385 -4.153 + 2655TIP3 H214275 1.449 0.342 -4.168 + 2656TIP3 OH214276 2.115 0.599 -3.688 + 2656TIP3 H114277 2.083 0.689 -3.675 + 2656TIP3 H214278 2.043 0.548 -3.647 + 2657TIP3 OH214279 2.130 1.025 -3.054 + 2657TIP3 H114280 2.187 1.099 -3.083 + 2657TIP3 H214281 2.192 0.974 -3.000 + 2658TIP3 OH214282 1.975 1.119 -3.731 + 2658TIP3 H114283 1.879 1.133 -3.725 + 2658TIP3 H214284 2.010 1.207 -3.708 + 2659TIP3 OH214285 2.472 0.600 -3.097 + 2659TIP3 H114286 2.442 0.570 -3.010 + 2659TIP3 H214287 2.544 0.538 -3.116 + 2660TIP3 OH214288 2.686 0.720 -4.192 + 2660TIP3 H114289 2.733 0.676 -4.119 + 2660TIP3 H214290 2.595 0.716 -4.159 + 2661TIP3 OH214291 2.766 1.057 -2.858 + 2661TIP3 H114292 2.691 1.009 -2.899 + 2661TIP3 H214293 2.774 1.135 -2.916 + 2662TIP3 OH214294 3.178 1.174 -4.159 + 2662TIP3 H114295 3.246 1.244 -4.144 + 2662TIP3 H214296 3.096 1.222 -4.136 + 2663TIP3 OH214297 1.551 -0.207 -2.893 + 2663TIP3 H114298 1.459 -0.182 -2.914 + 2663TIP3 H214299 1.538 -0.291 -2.846 + 2664TIP3 OH214300 2.786 0.590 -3.966 + 2664TIP3 H114301 2.758 0.518 -3.906 + 2664TIP3 H214302 2.884 0.584 -3.959 + 2665TIP3 OH214303 1.525 0.969 -3.049 + 2665TIP3 H114304 1.555 0.878 -3.036 + 2665TIP3 H214305 1.551 1.008 -2.965 + 2666TIP3 OH214306 2.140 0.833 -4.321 + 2666TIP3 H114307 2.172 0.749 -4.357 + 2666TIP3 H214308 2.076 0.800 -4.255 + 2667TIP3 OH214309 1.986 0.787 -4.068 + 2667TIP3 H114310 2.045 0.732 -4.015 + 2667TIP3 H214311 2.014 0.878 -4.047 + 2668TIP3 OH214312 1.679 0.522 -4.035 + 2668TIP3 H114313 1.605 0.566 -3.989 + 2668TIP3 H214314 1.727 0.599 -4.071 + 2669TIP3 OH214315 2.447 -0.224 -3.035 + 2669TIP3 H114316 2.509 -0.197 -2.965 + 2669TIP3 H214317 2.399 -0.298 -2.994 + 2670TIP3 OH214318 2.506 -0.268 -3.921 + 2670TIP3 H114319 2.537 -0.221 -4.000 + 2670TIP3 H214320 2.559 -0.227 -3.851 + 2671TIP3 OH214321 2.291 0.947 -4.022 + 2671TIP3 H114322 2.210 0.998 -4.006 + 2671TIP3 H214323 2.336 1.004 -4.086 + 2672TIP3 OH214324 2.251 -0.077 -3.815 + 2672TIP3 H114325 2.330 -0.021 -3.801 + 2672TIP3 H214326 2.222 -0.094 -3.724 + 2673TIP3 OH214327 2.291 0.013 -2.900 + 2673TIP3 H114328 2.294 0.063 -2.817 + 2673TIP3 H214329 2.342 -0.066 -2.876 + 2674TIP3 OH214330 2.314 -0.375 -3.724 + 2674TIP3 H114331 2.295 -0.307 -3.658 + 2674TIP3 H214332 2.386 -0.332 -3.775 + 2675TIP3 OH214333 2.010 1.065 -4.025 + 2675TIP3 H114334 2.011 1.151 -4.072 + 2675TIP3 H214335 1.997 1.093 -3.932 + 2676TIP3 OH214336 1.886 -0.269 -4.079 + 2676TIP3 H114337 1.878 -0.198 -4.014 + 2676TIP3 H214338 1.961 -0.320 -4.044 + 2677TIP3 OH214339 2.917 -0.187 -2.812 + 2677TIP3 H114340 2.820 -0.175 -2.825 + 2677TIP3 H214341 2.941 -0.211 -2.902 + 2678TIP3 OH214342 2.767 0.197 -3.409 + 2678TIP3 H114343 2.685 0.151 -3.435 + 2678TIP3 H214344 2.816 0.126 -3.362 + 2679TIP3 OH214345 1.719 0.823 -4.157 + 2679TIP3 H114346 1.804 0.843 -4.114 + 2679TIP3 H214347 1.751 0.771 -4.233 + 2680TIP3 OH214348 1.544 0.037 -4.251 + 2680TIP3 H114349 1.558 0.133 -4.238 + 2680TIP3 H214350 1.455 0.036 -4.291 + 2681TIP3 OH214351 2.869 1.083 -3.270 + 2681TIP3 H114352 2.852 1.165 -3.320 + 2681TIP3 H214353 2.961 1.096 -3.244 + 2682TIP3 OH214354 1.631 -0.467 -3.371 + 2682TIP3 H114355 1.612 -0.469 -3.467 + 2682TIP3 H214356 1.596 -0.553 -3.340 + 2683TIP3 OH214357 1.523 0.892 -3.741 + 2683TIP3 H114358 1.438 0.937 -3.730 + 2683TIP3 H214359 1.557 0.933 -3.822 + 2684TIP3 OH214360 1.458 1.173 -2.628 + 2684TIP3 H114361 1.516 1.146 -2.554 + 2684TIP3 H214362 1.421 1.087 -2.655 + 2685TIP3 OH214363 1.926 1.073 -2.446 + 2685TIP3 H114364 2.001 1.014 -2.433 + 2685TIP3 H214365 1.903 1.054 -2.538 + 2686TIP3 OH214366 2.352 1.012 -4.313 + 2686TIP3 H114367 2.271 0.958 -4.322 + 2686TIP3 H214368 2.415 0.952 -4.356 + 2687TIP3 OH214369 2.575 0.908 -2.590 + 2687TIP3 H114370 2.539 0.825 -2.555 + 2687TIP3 H214371 2.646 0.928 -2.527 + 2688TIP3 OH214372 2.745 0.979 -4.285 + 2688TIP3 H114373 2.780 0.901 -4.240 + 2688TIP3 H214374 2.824 1.028 -4.316 + 2689TIP3 OH214375 1.458 0.538 -2.516 + 2689TIP3 H114376 1.468 0.444 -2.541 + 2689TIP3 H214377 1.383 0.565 -2.572 + 2690TIP3 OH214378 1.878 0.593 -4.298 + 2690TIP3 H114379 1.902 0.518 -4.242 + 2690TIP3 H214380 1.938 0.585 -4.374 + 2691TIP3 OH214381 2.114 0.556 -2.581 + 2691TIP3 H114382 2.088 0.586 -2.669 + 2691TIP3 H214383 2.126 0.460 -2.595 + 2692TIP3 OH214384 2.414 0.695 -4.349 + 2692TIP3 H114385 2.427 0.709 -4.254 + 2692TIP3 H214386 2.477 0.625 -4.370 + 2693TIP3 OH214387 2.655 0.517 -2.843 + 2693TIP3 H114388 2.733 0.571 -2.864 + 2693TIP3 H214389 2.585 0.583 -2.846 + 2694TIP3 OH214390 1.539 0.256 -2.587 + 2694TIP3 H114391 1.607 0.186 -2.588 + 2694TIP3 H214392 1.520 0.257 -2.491 + 2695TIP3 OH214393 1.987 0.385 -4.087 + 2695TIP3 H114394 1.923 0.338 -4.031 + 2695TIP3 H214395 2.020 0.314 -4.145 + 2696TIP3 OH214396 1.905 0.162 -2.858 + 2696TIP3 H114397 1.854 0.242 -2.835 + 2696TIP3 H214398 1.972 0.198 -2.918 + 2697TIP3 OH214399 2.103 0.196 -4.273 + 2697TIP3 H114400 2.104 0.176 -4.368 + 2697TIP3 H214401 2.199 0.194 -4.253 + 2698TIP3 OH214402 2.438 0.434 -2.499 + 2698TIP3 H114403 2.527 0.413 -2.531 + 2698TIP3 H214404 2.411 0.350 -2.460 + 2699TIP3 OH214405 1.966 -0.104 -2.741 + 2699TIP3 H114406 1.971 -0.173 -2.810 + 2699TIP3 H214407 1.944 -0.025 -2.793 + 2700TIP3 OH214408 2.000 -0.261 -2.996 + 2700TIP3 H114409 2.051 -0.209 -3.061 + 2700TIP3 H214410 1.909 -0.258 -3.032 + 2701TIP3 OH214411 2.154 0.283 -2.957 + 2701TIP3 H114412 2.238 0.274 -3.004 + 2701TIP3 H214413 2.124 0.371 -2.988 + 2702TIP3 OH214414 2.613 0.077 -2.480 + 2702TIP3 H114415 2.632 -0.017 -2.462 + 2702TIP3 H214416 2.703 0.114 -2.483 + 2703TIP3 OH214417 2.709 0.357 -2.628 + 2703TIP3 H114418 2.675 0.417 -2.698 + 2703TIP3 H214419 2.798 0.338 -2.665 + 2704TIP3 OH214420 1.788 0.076 -2.560 + 2704TIP3 H114421 1.732 -0.003 -2.554 + 2704TIP3 H214422 1.867 0.042 -2.605 + 2705TIP3 OH214423 2.074 -0.528 -2.962 + 2705TIP3 H114424 2.055 -0.432 -2.977 + 2705TIP3 H214425 2.003 -0.569 -3.015 + 2706TIP3 OH214426 2.197 -0.068 -2.581 + 2706TIP3 H114427 2.166 -0.097 -2.494 + 2706TIP3 H214428 2.117 -0.090 -2.635 + 2707TIP3 OH214429 2.451 -0.166 -2.696 + 2707TIP3 H114430 2.363 -0.162 -2.655 + 2707TIP3 H214431 2.498 -0.229 -2.638 + 2708TIP3 OH214432 2.640 -0.318 -2.523 + 2708TIP3 H114433 2.623 -0.413 -2.509 + 2708TIP3 H214434 2.618 -0.278 -2.437 + 2709TIP3 OH214435 1.650 -0.177 -2.576 + 2709TIP3 H114436 1.644 -0.252 -2.637 + 2709TIP3 H214437 1.630 -0.219 -2.490 + 2710TIP3 OH214438 2.055 -0.580 -2.680 + 2710TIP3 H114439 2.115 -0.656 -2.674 + 2710TIP3 H214440 2.054 -0.564 -2.776 + 2711TIP3 OH214441 2.154 -0.390 -2.500 + 2711TIP3 H114442 2.117 -0.451 -2.568 + 2711TIP3 H214443 2.082 -0.326 -2.487 + 2712TIP3 OH214444 2.063 1.321 -4.168 + 2712TIP3 H114445 2.160 1.323 -4.167 + 2712TIP3 H214446 2.041 1.368 -4.250 + 2713TIP3 OH214447 1.451 0.714 -4.193 + 2713TIP3 H114448 1.539 0.754 -4.200 + 2713TIP3 H214449 1.444 0.666 -4.277 + 2714TIP3 OH214450 1.347 1.273 -3.717 + 2714TIP3 H114451 1.279 1.233 -3.776 + 2714TIP3 H214452 1.357 1.202 -3.650 + 2715TIP3 OH214453 1.384 1.075 -3.519 + 2715TIP3 H114454 1.358 0.986 -3.491 + 2715TIP3 H214455 1.423 1.107 -3.436 + 2716TIP3 OH214456 3.141 1.202 -3.219 + 2716TIP3 H114457 3.157 1.196 -3.124 + 2716TIP3 H214458 3.228 1.228 -3.252 + 2717TIP3 OH214459 3.132 1.143 -2.932 + 2717TIP3 H114460 3.079 1.069 -2.967 + 2717TIP3 H214461 3.186 1.096 -2.867 + 2718TIP3 OH214462 2.931 0.688 -2.504 + 2718TIP3 H114463 2.843 0.692 -2.463 + 2718TIP3 H214464 2.976 0.767 -2.470 + 2719TIP3 OH214465 3.072 0.570 -3.930 + 2719TIP3 H114466 3.162 0.603 -3.913 + 2719TIP3 H214467 3.064 0.505 -3.857 + 2720TIP3 OH214468 3.117 0.371 -3.731 + 2720TIP3 H114469 3.049 0.315 -3.688 + 2720TIP3 H214470 3.184 0.382 -3.662 + 2721TIP3 OH214471 3.090 0.623 -3.233 + 2721TIP3 H114472 3.151 0.572 -3.289 + 2721TIP3 H214473 3.102 0.713 -3.266 + 2722TIP3 OH214474 2.962 0.916 -3.011 + 2722TIP3 H114475 2.888 0.953 -2.960 + 2722TIP3 H214476 2.915 0.877 -3.088 + 2723TIP3 OH214477 3.148 0.341 -4.109 + 2723TIP3 H114478 3.081 0.362 -4.175 + 2723TIP3 H214479 3.125 0.405 -4.040 + 2724TIP3 OH214480 2.969 0.078 -4.210 + 2724TIP3 H114481 2.992 0.148 -4.274 + 2724TIP3 H214482 2.993 -0.002 -4.258 + 2725TIP3 OH214483 2.911 0.185 -3.650 + 2725TIP3 H114484 2.902 0.090 -3.667 + 2725TIP3 H214485 2.872 0.194 -3.560 + 2726TIP3 OH214486 1.395 0.409 -3.280 + 2726TIP3 H114487 1.420 0.411 -3.374 + 2726TIP3 H214488 1.481 0.385 -3.240 + 2727TIP3 OH214489 2.971 0.379 -2.737 + 2727TIP3 H114490 3.043 0.316 -2.720 + 2727TIP3 H214491 3.018 0.461 -2.753 + 2728TIP3 OH214492 3.127 0.189 -2.615 + 2728TIP3 H114493 3.047 0.136 -2.637 + 2728TIP3 H214494 3.197 0.121 -2.617 + 2729TIP3 OH214495 2.888 -0.220 -4.320 + 2729TIP3 H114496 2.949 -0.270 -4.265 + 2729TIP3 H214497 2.809 -0.276 -4.323 + 2730TIP3 OH214498 2.890 -0.061 -3.835 + 2730TIP3 H114499 2.915 -0.156 -3.829 + 2730TIP3 H214500 2.972 -0.024 -3.873 + 2731TIP3 OH214501 2.920 -0.002 -3.289 + 2731TIP3 H114502 3.018 0.005 -3.291 + 2731TIP3 H214503 2.906 -0.002 -3.193 + 2732TIP3 OH214504 2.937 0.066 -3.007 + 2732TIP3 H114505 2.851 0.104 -2.980 + 2732TIP3 H214506 2.989 0.146 -3.028 + 2733TIP3 OH214507 1.388 -0.056 -2.643 + 2733TIP3 H114508 1.481 -0.080 -2.628 + 2733TIP3 H214509 1.344 -0.142 -2.631 + 2734TIP3 OH214510 3.198 -0.517 -2.476 + 2734TIP3 H114511 3.232 -0.586 -2.535 + 2734TIP3 H214512 3.196 -0.439 -2.535 + 2735TIP3 OH214513 2.941 -0.336 -3.831 + 2735TIP3 H114514 2.957 -0.375 -3.743 + 2735TIP3 H214515 2.866 -0.391 -3.862 + 2736TIP3 OH214516 1.463 -0.224 -3.359 + 2736TIP3 H114517 1.508 -0.309 -3.352 + 2736TIP3 H214518 1.532 -0.164 -3.325 + 2737TIP3 OH214519 1.317 0.044 -3.255 + 2737TIP3 H114520 1.375 0.038 -3.333 + 2737TIP3 H214521 1.355 0.120 -3.209 + 2738TIP3 OH214522 3.129 -0.315 -2.653 + 2738TIP3 H114523 3.041 -0.273 -2.648 + 2738TIP3 H214524 3.117 -0.370 -2.733 + 2739TIP3 OH214525 3.145 -0.299 -4.176 + 2739TIP3 H114526 3.170 -0.373 -4.233 + 2739TIP3 H214527 3.228 -0.249 -4.172 + 2740TIP3 OH214528 1.367 -0.321 -3.852 + 2740TIP3 H114529 1.272 -0.319 -3.872 + 2740TIP3 H214530 1.405 -0.262 -3.919 + 2741TIP3 OH214531 2.828 1.204 -3.641 + 2741TIP3 H114532 2.876 1.176 -3.721 + 2741TIP3 H214533 2.899 1.239 -3.586 + 2742TIP3 OH214534 1.371 -0.435 -3.036 + 2742TIP3 H114535 1.302 -0.461 -2.974 + 2742TIP3 H214536 1.320 -0.383 -3.100 + 2743TIP3 OH214537 1.570 0.881 -2.565 + 2743TIP3 H114538 1.499 0.870 -2.631 + 2743TIP3 H214539 1.522 0.870 -2.482 + 2744TIP3 OH214540 1.854 0.974 -2.999 + 2744TIP3 H114541 1.824 1.060 -3.035 + 2744TIP3 H214542 1.949 0.981 -3.016 + 2745TIP3 OH214543 2.304 1.105 -2.697 + 2745TIP3 H114544 2.321 1.086 -2.603 + 2745TIP3 H214545 2.388 1.148 -2.724 + 2746TIP3 OH214546 2.534 1.250 -2.774 + 2746TIP3 H114547 2.602 1.185 -2.798 + 2746TIP3 H214548 2.565 1.279 -2.686 + 2747TIP3 OH214549 3.022 -0.495 -2.862 + 2747TIP3 H114550 2.939 -0.470 -2.906 + 2747TIP3 H214551 3.031 -0.588 -2.891 + 2748TIP3 OH214552 1.589 1.270 -2.967 + 2748TIP3 H114553 1.530 1.334 -3.010 + 2748TIP3 H214554 1.557 1.275 -2.876 + 2749TIP3 OH214555 1.841 1.247 -3.110 + 2749TIP3 H114556 1.755 1.265 -3.067 + 2749TIP3 H214557 1.844 1.315 -3.180 + 2750TIP3 OH214558 2.315 1.245 -3.155 + 2750TIP3 H114559 2.278 1.289 -3.233 + 2750TIP3 H214560 2.324 1.320 -3.093 + 2751TIP3 OH214561 2.549 1.118 -3.062 + 2751TIP3 H114562 2.464 1.152 -3.097 + 2751TIP3 H214563 2.605 1.197 -3.066 + 2752TIP3 OH214564 2.803 1.291 -3.044 + 2752TIP3 H114565 2.798 1.386 -3.067 + 2752TIP3 H214566 2.830 1.253 -3.129 + 2753TIP3 OH214567 1.549 1.148 -3.272 + 2753TIP3 H114568 1.548 1.099 -3.187 + 2753TIP3 H214569 1.624 1.105 -3.316 + 2754TIP3 OH214570 1.750 1.025 -3.425 + 2754TIP3 H114571 1.736 0.931 -3.403 + 2754TIP3 H214572 1.843 1.038 -3.397 + 2755TIP3 OH214573 2.027 1.070 -3.339 + 2755TIP3 H114574 2.046 0.978 -3.363 + 2755TIP3 H214575 2.034 1.065 -3.243 + 2756TIP3 OH214576 2.360 -0.341 -3.409 + 2756TIP3 H114577 2.291 -0.409 -3.395 + 2756TIP3 H214578 2.421 -0.387 -3.469 + 2757TIP3 OH214579 2.857 -0.538 -3.363 + 2757TIP3 H114580 2.932 -0.495 -3.407 + 2757TIP3 H214581 2.782 -0.511 -3.418 + 2758TIP3 OH214582 3.060 -0.428 -3.580 + 2758TIP3 H114583 3.134 -0.474 -3.623 + 2758TIP3 H214584 3.095 -0.338 -3.568 + 2759TIP3 OH214585 1.596 -0.470 -3.652 + 2759TIP3 H114586 1.510 -0.482 -3.697 + 2759TIP3 H214587 1.638 -0.556 -3.668 + 2760TIP3 OH214588 1.474 -0.515 -4.081 + 2760TIP3 H114589 1.533 -0.452 -4.127 + 2760TIP3 H214590 1.441 -0.460 -4.008 + 2761TIP3 OH214591 2.043 -0.489 -3.665 + 2761TIP3 H114592 2.133 -0.456 -3.680 + 2761TIP3 H214593 2.041 -0.496 -3.569 + 2762TIP3 OH214594 2.602 -0.483 -3.524 + 2762TIP3 H114595 2.628 -0.497 -3.616 + 2762TIP3 H214596 2.564 -0.569 -3.500 + 2763TIP3 OH214597 2.707 -0.485 -3.919 + 2763TIP3 H114598 2.628 -0.438 -3.953 + 2763TIP3 H214599 2.675 -0.577 -3.919 + 2764TIP3 OH214600 1.480 1.075 -3.962 + 2764TIP3 H114601 1.411 1.072 -4.031 + 2764TIP3 H214602 1.483 1.170 -3.945 + 2765TIP3 OH214603 1.641 -0.345 -4.227 + 2765TIP3 H114604 1.698 -0.400 -4.284 + 2765TIP3 H214605 1.708 -0.292 -4.180 + 2766TIP3 OH214606 2.152 -0.324 -3.958 + 2766TIP3 H114607 2.194 -0.377 -3.888 + 2766TIP3 H214608 2.178 -0.236 -3.929 + 2767TIP3 OH214609 2.362 1.241 -4.146 + 2767TIP3 H114610 2.459 1.251 -4.153 + 2767TIP3 H214611 2.348 1.177 -4.218 + 2768TIP3 OH214612 3.024 1.158 -3.885 + 2768TIP3 H114613 2.993 1.074 -3.926 + 2768TIP3 H214614 2.999 1.224 -3.953 + 2769TIP3 OH214615 1.577 -0.446 -2.703 + 2769TIP3 H114616 1.534 -0.524 -2.664 + 2769TIP3 H214617 1.668 -0.458 -2.671 + 2770TIP3 OH214618 1.812 -0.507 -2.529 + 2770TIP3 H114619 1.895 -0.544 -2.566 + 2770TIP3 H214620 1.778 -0.585 -2.481 + 2771TIP3 OH214621 1.687 1.190 -4.231 + 2771TIP3 H114622 1.639 1.202 -4.148 + 2771TIP3 H214623 1.746 1.116 -4.214 + 2772TIP3 OH214624 2.631 -0.599 -2.511 + 2772TIP3 H114625 2.632 -0.637 -2.421 + 2772TIP3 H214626 2.724 -0.609 -2.537 + 2773TIP3 OH214627 2.963 1.038 -2.641 + 2773TIP3 H114628 2.890 1.017 -2.702 + 2773TIP3 H214629 2.943 1.131 -2.621 + 2774TIP3 OH214630 4.223 0.348 -3.319 + 2774TIP3 H114631 4.284 0.311 -3.253 + 2774TIP3 H214632 4.243 0.298 -3.399 + 2775TIP3 OH214633 3.514 0.308 -3.153 + 2775TIP3 H114634 3.512 0.232 -3.092 + 2775TIP3 H214635 3.585 0.361 -3.114 + 2776TIP3 OH214636 3.581 0.772 -3.305 + 2776TIP3 H114637 3.556 0.680 -3.329 + 2776TIP3 H214638 3.673 0.757 -3.278 + 2777TIP3 OH214639 3.281 0.115 -3.763 + 2777TIP3 H114640 3.235 0.200 -3.754 + 2777TIP3 H214641 3.212 0.060 -3.805 + 2778TIP3 OH214642 3.362 0.358 -3.576 + 2778TIP3 H114643 3.374 0.273 -3.530 + 2778TIP3 H214644 3.445 0.363 -3.626 + 2779TIP3 OH214645 4.131 0.605 -3.260 + 2779TIP3 H114646 4.145 0.525 -3.314 + 2779TIP3 H214647 4.195 0.586 -3.190 + 2780TIP3 OH214648 3.745 -0.162 -3.506 + 2780TIP3 H114649 3.756 -0.078 -3.554 + 2780TIP3 H214650 3.709 -0.219 -3.576 + 2781TIP3 OH214651 3.414 0.109 -3.454 + 2781TIP3 H114652 3.474 0.058 -3.397 + 2781TIP3 H214653 3.420 0.058 -3.537 + 2782TIP3 OH214654 3.952 0.242 -3.504 + 2782TIP3 H114655 4.027 0.188 -3.473 + 2782TIP3 H214656 3.902 0.175 -3.554 + 2783TIP3 OH214657 3.627 -0.283 -3.090 + 2783TIP3 H114658 3.584 -0.237 -3.163 + 2783TIP3 H214659 3.560 -0.275 -3.020 + 2784TIP3 OH214660 3.918 0.498 -3.075 + 2784TIP3 H114661 3.841 0.551 -3.047 + 2784TIP3 H214662 3.977 0.566 -3.111 + 2785TIP3 OH214663 3.583 -0.080 -3.296 + 2785TIP3 H114664 3.650 -0.025 -3.250 + 2785TIP3 H214665 3.641 -0.120 -3.366 + 2786TIP3 OH214666 3.716 0.688 -3.004 + 2786TIP3 H114667 3.712 0.781 -3.033 + 2786TIP3 H214668 3.629 0.680 -2.960 + 2787TIP3 OH214669 3.353 0.660 -3.921 + 2787TIP3 H114670 3.320 0.704 -4.002 + 2787TIP3 H214671 3.361 0.734 -3.856 + 2788TIP3 OH214672 4.041 -0.547 -3.366 + 2788TIP3 H114673 4.011 -0.641 -3.372 + 2788TIP3 H214674 3.957 -0.504 -3.339 + 2789TIP3 OH214675 4.264 0.339 -3.916 + 2789TIP3 H114676 4.200 0.411 -3.928 + 2789TIP3 H214677 4.338 0.370 -3.970 + 2790TIP3 OH214678 4.288 0.197 -4.213 + 2790TIP3 H114679 4.354 0.200 -4.142 + 2790TIP3 H214680 4.298 0.108 -4.247 + 2791TIP3 OH214681 3.762 0.433 -3.618 + 2791TIP3 H114682 3.729 0.387 -3.697 + 2791TIP3 H214683 3.822 0.367 -3.580 + 2792TIP3 OH214684 3.901 0.774 -3.342 + 2792TIP3 H114685 3.886 0.730 -3.427 + 2792TIP3 H214686 3.980 0.727 -3.309 + 2793TIP3 OH214687 3.814 0.317 -3.269 + 2793TIP3 H114688 3.875 0.312 -3.345 + 2793TIP3 H214689 3.859 0.380 -3.210 + 2794TIP3 OH214690 3.905 0.752 -2.788 + 2794TIP3 H114691 3.853 0.814 -2.734 + 2794TIP3 H214692 3.839 0.723 -2.853 + 2795TIP3 OH214693 3.595 0.389 -2.873 + 2795TIP3 H114694 3.599 0.443 -2.792 + 2795TIP3 H214695 3.499 0.372 -2.880 + 2796TIP3 OH214696 4.252 0.960 -3.697 + 2796TIP3 H114697 4.299 1.014 -3.632 + 2796TIP3 H214698 4.197 1.026 -3.740 + 2797TIP3 OH214699 3.710 0.967 -2.701 + 2797TIP3 H114700 3.698 0.966 -2.798 + 2797TIP3 H214701 3.623 0.938 -2.668 + 2798TIP3 OH214702 3.652 0.309 -3.864 + 2798TIP3 H114703 3.624 0.383 -3.920 + 2798TIP3 H214704 3.586 0.241 -3.885 + 2799TIP3 OH214705 3.256 0.575 -2.990 + 2799TIP3 H114706 3.212 0.573 -3.077 + 2799TIP3 H214707 3.269 0.480 -2.972 + 2800TIP3 OH214708 3.263 0.871 -3.299 + 2800TIP3 H114709 3.353 0.838 -3.292 + 2800TIP3 H214710 3.257 0.927 -3.220 + 2801TIP3 OH214711 4.170 0.853 -2.839 + 2801TIP3 H114712 4.181 0.938 -2.794 + 2801TIP3 H214713 4.080 0.825 -2.814 + 2802TIP3 OH214714 4.184 1.232 -3.849 + 2802TIP3 H114715 4.209 1.238 -3.942 + 2802TIP3 H214716 4.207 1.318 -3.812 + 2803TIP3 OH214717 3.573 1.145 -3.680 + 2803TIP3 H114718 3.591 1.102 -3.594 + 2803TIP3 H214719 3.488 1.105 -3.703 + 2804TIP3 OH214720 3.475 0.731 -2.866 + 2804TIP3 H114721 3.502 0.684 -2.784 + 2804TIP3 H214722 3.401 0.675 -2.899 + 2805TIP3 OH214723 3.791 -0.421 -3.304 + 2805TIP3 H114724 3.704 -0.444 -3.340 + 2805TIP3 H214725 3.763 -0.365 -3.229 + 2806TIP3 OH214726 4.247 -0.499 -2.838 + 2806TIP3 H114727 4.235 -0.590 -2.805 + 2806TIP3 H214728 4.157 -0.488 -2.878 + 2807TIP3 OH214729 4.223 -0.214 -4.202 + 2807TIP3 H114730 4.157 -0.229 -4.133 + 2807TIP3 H214731 4.195 -0.280 -4.268 + 2808TIP3 OH214732 3.783 0.058 -3.148 + 2808TIP3 H114733 3.720 0.065 -3.074 + 2808TIP3 H214734 3.783 0.149 -3.185 + 2809TIP3 OH214735 3.774 0.067 -3.662 + 2809TIP3 H114736 3.678 0.053 -3.676 + 2809TIP3 H214737 3.808 0.044 -3.751 + 2810TIP3 OH214738 4.288 0.097 -3.745 + 2810TIP3 H114739 4.264 0.189 -3.768 + 2810TIP3 H214740 4.317 0.061 -3.829 + 2811TIP3 OH214741 4.251 0.147 -2.627 + 2811TIP3 H114742 4.198 0.065 -2.614 + 2811TIP3 H214743 4.340 0.109 -2.630 + 2812TIP3 OH214744 3.516 0.075 -2.963 + 2812TIP3 H114745 3.543 0.100 -2.874 + 2812TIP3 H214746 3.481 -0.015 -2.947 + 2813TIP3 OH214747 3.898 -0.178 -4.309 + 2813TIP3 H114748 3.859 -0.215 -4.228 + 2813TIP3 H214749 3.820 -0.134 -4.348 + 2814TIP3 OH214750 3.204 -0.176 -3.599 + 2814TIP3 H114751 3.264 -0.189 -3.524 + 2814TIP3 H214752 3.248 -0.221 -3.673 + 2815TIP3 OH214753 3.358 -0.137 -4.038 + 2815TIP3 H114754 3.413 -0.089 -4.103 + 2815TIP3 H214755 3.289 -0.072 -4.018 + 2816TIP3 OH214756 4.349 0.204 -3.024 + 2816TIP3 H114757 4.379 0.133 -3.085 + 2816TIP3 H214758 4.281 0.155 -2.976 + 2817TIP3 OH214759 4.049 -0.191 -3.556 + 2817TIP3 H114760 3.954 -0.193 -3.533 + 2817TIP3 H214761 4.088 -0.190 -3.467 + 2818TIP3 OH214762 3.513 -0.053 -3.693 + 2818TIP3 H114763 3.427 -0.032 -3.734 + 2818TIP3 H214764 3.539 -0.136 -3.738 + 2819TIP3 OH214765 3.866 -0.014 -3.922 + 2819TIP3 H114766 3.963 -0.014 -3.918 + 2819TIP3 H214767 3.845 0.043 -3.997 + 2820TIP3 OH214768 3.728 0.104 -4.162 + 2820TIP3 H114769 3.666 0.047 -4.212 + 2820TIP3 H214770 3.806 0.106 -4.219 + 2821TIP3 OH214771 3.583 0.579 -2.647 + 2821TIP3 H114772 3.650 0.585 -2.575 + 2821TIP3 H214773 3.502 0.573 -2.592 + 2822TIP3 OH214774 4.149 0.057 -3.414 + 2822TIP3 H114775 4.213 0.002 -3.461 + 2822TIP3 H214776 4.156 0.022 -3.323 + 2823TIP3 OH214777 3.682 -0.284 -3.766 + 2823TIP3 H114778 3.625 -0.359 -3.742 + 2823TIP3 H214779 3.765 -0.329 -3.787 + 2824TIP3 OH214780 4.054 -0.080 -3.154 + 2824TIP3 H114781 3.977 -0.022 -3.157 + 2824TIP3 H214782 4.101 -0.050 -3.075 + 2825TIP3 OH214783 4.068 0.548 -3.955 + 2825TIP3 H114784 3.991 0.499 -3.990 + 2825TIP3 H214785 4.048 0.557 -3.859 + 2826TIP3 OH214786 4.229 0.571 -2.852 + 2826TIP3 H114787 4.196 0.527 -2.773 + 2826TIP3 H214788 4.208 0.665 -2.838 + 2827TIP3 OH214789 3.580 0.502 -3.377 + 2827TIP3 H114790 3.635 0.489 -3.456 + 2827TIP3 H214791 3.588 0.416 -3.333 + 2828TIP3 OH214792 4.284 0.690 -4.051 + 2828TIP3 H114793 4.252 0.780 -4.031 + 2828TIP3 H214794 4.208 0.637 -4.020 + 2829TIP3 OH214795 3.304 0.329 -2.851 + 2829TIP3 H114796 3.320 0.284 -2.766 + 2829TIP3 H214797 3.244 0.268 -2.897 + 2830TIP3 OH214798 4.003 0.283 -2.652 + 2830TIP3 H114799 3.965 0.246 -2.734 + 2830TIP3 H214800 4.095 0.251 -2.658 + 2831TIP3 OH214801 3.816 0.829 -3.656 + 2831TIP3 H114802 3.857 0.916 -3.665 + 2831TIP3 H214803 3.723 0.849 -3.673 + 2832TIP3 OH214804 3.423 0.324 -4.203 + 2832TIP3 H114805 3.476 0.385 -4.150 + 2832TIP3 H214806 3.333 0.339 -4.168 + 2833TIP3 OH214807 3.996 0.599 -3.690 + 2833TIP3 H114808 3.964 0.689 -3.676 + 2833TIP3 H214809 3.925 0.547 -3.648 + 2834TIP3 OH214810 4.020 1.028 -3.053 + 2834TIP3 H114811 4.079 1.099 -3.085 + 2834TIP3 H214812 4.082 0.977 -2.998 + 2835TIP3 OH214813 3.859 1.120 -3.737 + 2835TIP3 H114814 3.764 1.134 -3.723 + 2835TIP3 H214815 3.897 1.205 -3.708 + 2836TIP3 OH214816 3.436 -0.205 -2.891 + 2836TIP3 H114817 3.345 -0.182 -2.916 + 2836TIP3 H214818 3.423 -0.294 -2.851 + 2837TIP3 OH214819 3.413 0.969 -3.050 + 2837TIP3 H114820 3.441 0.877 -3.033 + 2837TIP3 H214821 3.434 1.009 -2.965 + 2838TIP3 OH214822 3.975 0.821 -4.380 + 2838TIP3 H114823 4.043 0.752 -4.392 + 2838TIP3 H214824 3.946 0.801 -4.288 + 2839TIP3 OH214825 3.875 0.782 -4.071 + 2839TIP3 H114826 3.930 0.728 -4.012 + 2839TIP3 H214827 3.900 0.873 -4.045 + 2840TIP3 OH214828 3.563 0.525 -4.041 + 2840TIP3 H114829 3.488 0.562 -3.990 + 2840TIP3 H214830 3.615 0.605 -4.056 + 2841TIP3 OH214831 4.330 -0.166 -2.988 + 2841TIP3 H114832 4.385 -0.228 -2.940 + 2841TIP3 H214833 4.292 -0.222 -3.057 + 2842TIP3 OH214834 4.162 0.949 -4.030 + 2842TIP3 H114835 4.088 1.004 -4.000 + 2842TIP3 H214836 4.216 1.014 -4.076 + 2843TIP3 OH214837 4.119 -0.101 -3.813 + 2843TIP3 H114838 4.183 -0.034 -3.780 + 2843TIP3 H214839 4.081 -0.127 -3.727 + 2844TIP3 OH214840 4.161 0.012 -2.893 + 2844TIP3 H114841 4.186 0.058 -2.812 + 2844TIP3 H214842 4.231 -0.056 -2.901 + 2845TIP3 OH214843 4.198 -0.383 -3.694 + 2845TIP3 H114844 4.168 -0.304 -3.644 + 2845TIP3 H214845 4.272 -0.348 -3.746 + 2846TIP3 OH214846 3.889 1.064 -4.027 + 2846TIP3 H114847 3.898 1.150 -4.072 + 2846TIP3 H214848 3.878 1.091 -3.933 + 2847TIP3 OH214849 3.770 -0.267 -4.084 + 2847TIP3 H114850 3.761 -0.202 -4.012 + 2847TIP3 H214851 3.837 -0.328 -4.049 + 2848TIP3 OH214852 3.611 0.823 -4.181 + 2848TIP3 H114853 3.681 0.857 -4.122 + 2848TIP3 H214854 3.662 0.754 -4.227 + 2849TIP3 OH214855 3.434 0.038 -4.260 + 2849TIP3 H114856 3.444 0.133 -4.240 + 2849TIP3 H214857 3.341 0.034 -4.290 + 2850TIP3 OH214858 3.488 -0.479 -3.360 + 2850TIP3 H114859 3.484 -0.492 -3.456 + 2850TIP3 H214860 3.482 -0.572 -3.329 + 2851TIP3 OH214861 3.404 0.887 -3.746 + 2851TIP3 H114862 3.324 0.936 -3.724 + 2851TIP3 H214863 3.441 0.937 -3.819 + 2852TIP3 OH214864 3.345 1.173 -2.629 + 2852TIP3 H114865 3.404 1.145 -2.556 + 2852TIP3 H214866 3.307 1.088 -2.657 + 2853TIP3 OH214867 3.816 1.082 -2.453 + 2853TIP3 H114868 3.881 1.014 -2.428 + 2853TIP3 H214869 3.790 1.052 -2.541 + 2854TIP3 OH214870 4.232 1.016 -4.323 + 2854TIP3 H114871 4.157 0.955 -4.321 + 2854TIP3 H214872 4.302 0.959 -4.359 + 2855TIP3 OH214873 3.342 0.538 -2.518 + 2855TIP3 H114874 3.350 0.445 -2.547 + 2855TIP3 H214875 3.264 0.566 -2.569 + 2856TIP3 OH214876 3.790 0.599 -4.322 + 2856TIP3 H114877 3.756 0.536 -4.257 + 2856TIP3 H214878 3.872 0.554 -4.347 + 2857TIP3 OH214879 4.010 0.559 -2.586 + 2857TIP3 H114880 3.976 0.587 -2.672 + 2857TIP3 H214881 4.018 0.461 -2.597 + 2858TIP3 OH214882 4.264 0.688 -4.346 + 2858TIP3 H114883 4.315 0.721 -4.269 + 2858TIP3 H214884 4.323 0.619 -4.378 + 2859TIP3 OH214885 3.428 0.252 -2.599 + 2859TIP3 H114886 3.500 0.186 -2.600 + 2859TIP3 H214887 3.422 0.270 -2.504 + 2860TIP3 OH214888 3.868 0.385 -4.091 + 2860TIP3 H114889 3.806 0.341 -4.031 + 2860TIP3 H214890 3.903 0.310 -4.142 + 2861TIP3 OH214891 3.797 0.167 -2.852 + 2861TIP3 H114892 3.740 0.243 -2.834 + 2861TIP3 H214893 3.850 0.198 -2.926 + 2862TIP3 OH214894 3.995 0.201 -4.277 + 2862TIP3 H114895 3.994 0.174 -4.370 + 2862TIP3 H214896 4.090 0.213 -4.261 + 2863TIP3 OH214897 4.286 0.413 -2.487 + 2863TIP3 H114898 4.359 0.378 -2.539 + 2863TIP3 H214899 4.266 0.335 -2.433 + 2864TIP3 OH214900 3.858 -0.105 -2.739 + 2864TIP3 H114901 3.860 -0.172 -2.810 + 2864TIP3 H214902 3.838 -0.024 -2.790 + 2865TIP3 OH214903 3.886 -0.257 -2.997 + 2865TIP3 H114904 3.932 -0.205 -3.065 + 2865TIP3 H214905 3.795 -0.264 -3.032 + 2866TIP3 OH214906 4.068 0.283 -2.961 + 2866TIP3 H114907 4.135 0.274 -3.030 + 2866TIP3 H214908 4.027 0.368 -2.985 + 2867TIP3 OH214909 3.674 0.077 -2.565 + 2867TIP3 H114910 3.619 -0.004 -2.561 + 2867TIP3 H214911 3.755 0.043 -2.607 + 2868TIP3 OH214912 3.993 -0.511 -2.961 + 2868TIP3 H114913 3.955 -0.422 -2.973 + 2868TIP3 H214914 3.924 -0.564 -3.007 + 2869TIP3 OH214915 4.106 -0.080 -2.586 + 2869TIP3 H114916 4.069 -0.107 -2.500 + 2869TIP3 H214917 4.031 -0.101 -2.644 + 2870TIP3 OH214918 3.539 -0.177 -2.579 + 2870TIP3 H114919 3.531 -0.249 -2.645 + 2870TIP3 H214920 3.519 -0.225 -2.497 + 2871TIP3 OH214921 3.947 -0.577 -2.676 + 2871TIP3 H114922 4.000 -0.658 -2.670 + 2871TIP3 H214923 3.939 -0.566 -2.772 + 2872TIP3 OH214924 4.049 -0.389 -2.501 + 2872TIP3 H114925 4.008 -0.454 -2.562 + 2872TIP3 H214926 3.976 -0.327 -2.486 + 2873TIP3 OH214927 3.961 1.306 -4.175 + 2873TIP3 H114928 4.054 1.327 -4.161 + 2873TIP3 H214929 3.933 1.372 -4.240 + 2874TIP3 OH214930 3.331 0.725 -4.201 + 2874TIP3 H114931 3.425 0.749 -4.200 + 2874TIP3 H214932 3.325 0.658 -4.272 + 2875TIP3 OH214933 3.237 1.269 -3.721 + 2875TIP3 H114934 3.164 1.234 -3.776 + 2875TIP3 H214935 3.242 1.202 -3.650 + 2876TIP3 OH214936 3.273 1.073 -3.520 + 2876TIP3 H114937 3.243 0.986 -3.490 + 2876TIP3 H214938 3.307 1.108 -3.436 + 2877TIP3 OH214939 3.280 0.409 -3.280 + 2877TIP3 H114940 3.306 0.411 -3.374 + 2877TIP3 H214941 3.366 0.385 -3.239 + 2878TIP3 OH214942 3.272 -0.058 -2.640 + 2878TIP3 H114943 3.365 -0.085 -2.636 + 2878TIP3 H214944 3.227 -0.144 -2.632 + 2879TIP3 OH214945 3.350 -0.231 -3.360 + 2879TIP3 H114946 3.390 -0.320 -3.352 + 2879TIP3 H214947 3.422 -0.175 -3.325 + 2880TIP3 OH214948 3.203 0.043 -3.255 + 2880TIP3 H114949 3.261 0.036 -3.333 + 2880TIP3 H214950 3.241 0.119 -3.210 + 2881TIP3 OH214951 3.251 -0.317 -3.848 + 2881TIP3 H114952 3.157 -0.320 -3.871 + 2881TIP3 H214953 3.290 -0.263 -3.918 + 2882TIP3 OH214954 3.252 -0.433 -3.030 + 2882TIP3 H114955 3.178 -0.453 -2.972 + 2882TIP3 H214956 3.207 -0.385 -3.102 + 2883TIP3 OH214957 3.456 0.881 -2.567 + 2883TIP3 H114958 3.383 0.872 -2.630 + 2883TIP3 H214959 3.411 0.867 -2.482 + 2884TIP3 OH214960 3.740 0.973 -3.001 + 2884TIP3 H114961 3.709 1.059 -3.035 + 2884TIP3 H214962 3.836 0.982 -3.017 + 2885TIP3 OH214963 4.221 1.134 -2.710 + 2885TIP3 H114964 4.205 1.100 -2.621 + 2885TIP3 H214965 4.315 1.158 -2.702 + 2886TIP3 OH214966 3.478 1.270 -2.966 + 2886TIP3 H114967 3.418 1.332 -3.010 + 2886TIP3 H214968 3.443 1.271 -2.877 + 2887TIP3 OH214969 3.729 1.246 -3.109 + 2887TIP3 H114970 3.644 1.265 -3.065 + 2887TIP3 H214971 3.733 1.316 -3.177 + 2888TIP3 OH214972 4.197 1.224 -3.155 + 2888TIP3 H114973 4.178 1.273 -3.236 + 2888TIP3 H214974 4.259 1.283 -3.109 + 2889TIP3 OH214975 3.435 1.149 -3.271 + 2889TIP3 H114976 3.433 1.099 -3.186 + 2889TIP3 H214977 3.511 1.104 -3.315 + 2890TIP3 OH214978 3.637 1.023 -3.429 + 2890TIP3 H114979 3.620 0.931 -3.401 + 2890TIP3 H214980 3.727 1.038 -3.395 + 2891TIP3 OH214981 3.913 1.071 -3.340 + 2891TIP3 H114982 3.932 0.978 -3.360 + 2891TIP3 H214983 3.921 1.070 -3.243 + 2892TIP3 OH214984 4.260 -0.373 -3.404 + 2892TIP3 H114985 4.179 -0.426 -3.391 + 2892TIP3 H214986 4.295 -0.412 -3.484 + 2893TIP3 OH214987 3.490 -0.473 -3.652 + 2893TIP3 H114988 3.401 -0.489 -3.690 + 2893TIP3 H214989 3.527 -0.563 -3.653 + 2894TIP3 OH214990 3.356 -0.513 -4.082 + 2894TIP3 H114991 3.418 -0.451 -4.127 + 2894TIP3 H214992 3.327 -0.461 -4.006 + 2895TIP3 OH214993 3.931 -0.474 -3.665 + 2895TIP3 H114994 4.027 -0.461 -3.670 + 2895TIP3 H214995 3.920 -0.499 -3.573 + 2896TIP3 OH214996 3.371 1.075 -3.969 + 2896TIP3 H114997 3.296 1.073 -4.031 + 2896TIP3 H214998 3.368 1.168 -3.941 + 2897TIP3 OH214999 3.528 -0.339 -4.232 + 2897TIP3 H115000 3.580 -0.404 -4.281 + 2897TIP3 H215001 3.597 -0.294 -4.180 + 2898TIP3 OH215002 4.074 -0.324 -3.968 + 2898TIP3 H115003 4.061 -0.388 -3.896 + 2898TIP3 H215004 4.061 -0.239 -3.921 + 2899TIP3 OH215005 4.271 1.225 -4.142 + 2899TIP3 H115006 4.355 1.268 -4.163 + 2899TIP3 H215007 4.254 1.172 -4.223 + 2900TIP3 OH215008 3.460 -0.444 -2.698 + 2900TIP3 H115009 3.420 -0.525 -2.662 + 2900TIP3 H215010 3.553 -0.460 -2.679 + 2901TIP3 OH215011 3.701 -0.508 -2.526 + 2901TIP3 H115012 3.782 -0.544 -2.567 + 2901TIP3 H215013 3.665 -0.588 -2.483 + 2902TIP3 OH215014 3.574 1.185 -4.230 + 2902TIP3 H115015 3.525 1.208 -4.150 + 2902TIP3 H215016 3.629 1.111 -4.203 + 2903TIP3 OH215017 -3.161 2.289 -3.628 + 2903TIP3 H115018 -3.160 2.385 -3.615 + 2903TIP3 H215019 -3.237 2.278 -3.685 + 2904TIP3 OH215020 -3.274 2.234 -3.321 + 2904TIP3 H115021 -3.276 2.179 -3.241 + 2904TIP3 H215022 -3.303 2.172 -3.389 + 2905TIP3 OH215023 -4.027 2.193 -3.157 + 2905TIP3 H115024 -4.032 2.120 -3.092 + 2905TIP3 H215025 -3.960 2.249 -3.116 + 2906TIP3 OH215026 -2.908 2.508 -3.488 + 2906TIP3 H115027 -2.944 2.438 -3.432 + 2906TIP3 H215028 -2.878 2.571 -3.421 + 2907TIP3 OH215029 -3.960 2.655 -3.304 + 2907TIP3 H115030 -3.988 2.565 -3.331 + 2907TIP3 H215031 -3.865 2.640 -3.286 + 2908TIP3 OH215032 -4.210 2.021 -3.870 + 2908TIP3 H115033 -4.237 2.108 -3.838 + 2908TIP3 H215034 -4.296 1.980 -3.887 + 2909TIP3 OH215035 -4.206 2.227 -3.603 + 2909TIP3 H115036 -4.186 2.170 -3.527 + 2909TIP3 H215037 -4.123 2.274 -3.616 + 2910TIP3 OH215038 -3.201 3.044 -3.432 + 2910TIP3 H115039 -3.143 2.973 -3.464 + 2910TIP3 H215040 -3.228 3.011 -3.345 + 2911TIP3 OH215041 -3.426 2.485 -3.264 + 2911TIP3 H115042 -3.392 2.413 -3.321 + 2911TIP3 H215043 -3.345 2.501 -3.211 + 2912TIP3 OH215044 -2.561 1.637 -3.198 + 2912TIP3 H115045 -2.534 1.699 -3.128 + 2912TIP3 H215046 -2.500 1.664 -3.270 + 2913TIP3 OH215047 -3.096 1.918 -3.212 + 2913TIP3 H115048 -3.083 1.822 -3.207 + 2913TIP3 H215049 -3.105 1.932 -3.308 + 2914TIP3 OH215050 -3.799 1.719 -3.506 + 2914TIP3 H115051 -3.785 1.805 -3.550 + 2914TIP3 H215052 -3.835 1.667 -3.580 + 2915TIP3 OH215053 -3.016 1.734 -3.675 + 2915TIP3 H115054 -2.957 1.693 -3.608 + 2915TIP3 H215055 -2.951 1.780 -3.730 + 2916TIP3 OH215056 -4.139 1.992 -3.451 + 2916TIP3 H115057 -4.079 1.952 -3.386 + 2916TIP3 H215058 -4.119 1.939 -3.530 + 2917TIP3 OH215059 -3.592 2.131 -3.509 + 2917TIP3 H115060 -3.522 2.076 -3.469 + 2917TIP3 H215061 -3.643 2.064 -3.557 + 2918TIP3 OH215062 -2.487 1.774 -2.951 + 2918TIP3 H115063 -2.545 1.847 -2.980 + 2918TIP3 H215064 -2.507 1.772 -2.856 + 2919TIP3 OH215065 -3.920 1.599 -3.087 + 2919TIP3 H115066 -3.962 1.646 -3.161 + 2919TIP3 H215067 -3.982 1.619 -3.015 + 2920TIP3 OH215068 -3.171 2.574 -3.750 + 2920TIP3 H115069 -3.202 2.554 -3.838 + 2920TIP3 H215070 -3.214 2.659 -3.731 + 2921TIP3 OH215071 -3.626 2.387 -3.077 + 2921TIP3 H115072 -3.698 2.447 -3.050 + 2921TIP3 H215073 -3.563 2.447 -3.120 + 2922TIP3 OH215074 -2.832 1.660 -3.469 + 2922TIP3 H115075 -2.874 1.605 -3.402 + 2922TIP3 H215076 -2.779 1.721 -3.414 + 2923TIP3 OH215077 -3.957 1.805 -3.296 + 2923TIP3 H115078 -3.894 1.863 -3.250 + 2923TIP3 H215079 -3.900 1.769 -3.367 + 2924TIP3 OH215080 -3.828 2.573 -3.003 + 2924TIP3 H115081 -3.829 2.665 -3.036 + 2924TIP3 H215082 -3.916 2.569 -2.962 + 2925TIP3 OH215083 -4.184 2.534 -3.914 + 2925TIP3 H115084 -4.259 2.557 -3.974 + 2925TIP3 H215085 -4.194 2.600 -3.844 + 2926TIP3 OH215086 -2.852 2.689 -3.239 + 2926TIP3 H115087 -2.948 2.703 -3.237 + 2926TIP3 H215088 -2.822 2.774 -3.275 + 2927TIP3 OH215089 -2.818 1.565 -3.084 + 2927TIP3 H115090 -2.893 1.610 -3.126 + 2927TIP3 H215091 -2.744 1.590 -3.144 + 2928TIP3 OH215092 -3.498 1.338 -3.365 + 2928TIP3 H115093 -3.531 1.247 -3.376 + 2928TIP3 H215094 -3.580 1.384 -3.334 + 2929TIP3 OH215095 -3.021 2.884 -3.582 + 2929TIP3 H115096 -2.973 2.805 -3.614 + 2929TIP3 H215097 -2.953 2.953 -3.592 + 2930TIP3 OH215098 -2.876 2.671 -3.720 + 2930TIP3 H115099 -2.927 2.624 -3.788 + 2930TIP3 H215100 -2.881 2.607 -3.646 + 2931TIP3 OH215101 -2.721 2.552 -2.871 + 2931TIP3 H115102 -2.731 2.488 -2.944 + 2931TIP3 H215103 -2.710 2.636 -2.919 + 2932TIP3 OH215104 -3.292 2.239 -3.905 + 2932TIP3 H115105 -3.359 2.302 -3.938 + 2932TIP3 H215106 -3.220 2.250 -3.969 + 2933TIP3 OH215107 -3.274 2.064 -4.205 + 2933TIP3 H115108 -3.206 2.097 -4.144 + 2933TIP3 H215109 -3.220 2.003 -4.260 + 2934TIP3 OH215110 -2.546 2.168 -3.076 + 2934TIP3 H115111 -2.618 2.235 -3.069 + 2934TIP3 H215112 -2.497 2.204 -3.154 + 2935TIP3 OH215113 -2.945 2.241 -3.795 + 2935TIP3 H115114 -3.013 2.263 -3.727 + 2935TIP3 H215115 -2.884 2.186 -3.742 + 2936TIP3 OH215116 -2.960 2.096 -2.910 + 2936TIP3 H115117 -2.954 2.178 -2.858 + 2936TIP3 H215118 -3.024 2.126 -2.977 + 2937TIP3 OH215119 -3.783 2.320 -3.616 + 2937TIP3 H115120 -3.816 2.278 -3.697 + 2937TIP3 H215121 -3.717 2.255 -3.584 + 2938TIP3 OH215122 -3.649 2.658 -3.341 + 2938TIP3 H115123 -3.658 2.623 -3.431 + 2938TIP3 H215124 -3.568 2.613 -3.310 + 2939TIP3 OH215125 -3.727 2.202 -3.268 + 2939TIP3 H115126 -3.668 2.206 -3.346 + 2939TIP3 H215127 -3.687 2.268 -3.208 + 2940TIP3 OH215128 -3.132 2.752 -3.209 + 2940TIP3 H115129 -3.129 2.820 -3.140 + 2940TIP3 H215130 -3.154 2.670 -3.161 + 2941TIP3 OH215131 -3.643 2.631 -2.783 + 2941TIP3 H115132 -3.694 2.698 -2.735 + 2941TIP3 H215133 -3.707 2.606 -2.853 + 2942TIP3 OH215134 -3.036 2.188 -4.057 + 2942TIP3 H115135 -2.994 2.215 -3.973 + 2942TIP3 H215136 -2.976 2.230 -4.122 + 2943TIP3 OH215137 -3.956 2.266 -2.868 + 2943TIP3 H115138 -3.947 2.327 -2.792 + 2943TIP3 H215139 -4.053 2.263 -2.878 + 2944TIP3 OH215140 -3.304 2.847 -3.694 + 2944TIP3 H115141 -3.253 2.875 -3.618 + 2944TIP3 H215142 -3.350 2.928 -3.720 + 2945TIP3 OH215143 -3.835 2.847 -2.700 + 2945TIP3 H115144 -3.843 2.853 -2.797 + 2945TIP3 H215145 -3.927 2.830 -2.672 + 2946TIP3 OH215146 -2.695 1.355 -4.074 + 2946TIP3 H115147 -2.786 1.375 -4.047 + 2946TIP3 H215148 -2.666 1.440 -4.109 + 2947TIP3 OH215149 -3.892 2.192 -3.866 + 2947TIP3 H115150 -3.917 2.270 -3.918 + 2947TIP3 H215151 -3.964 2.130 -3.888 + 2948TIP3 OH215152 -2.590 2.787 -4.251 + 2948TIP3 H115153 -2.557 2.867 -4.206 + 2948TIP3 H215154 -2.516 2.724 -4.242 + 2949TIP3 OH215155 -4.266 2.476 -3.010 + 2949TIP3 H115156 -4.288 2.443 -3.099 + 2949TIP3 H215157 -4.306 2.407 -2.954 + 2950TIP3 OH215158 -4.283 2.753 -3.311 + 2950TIP3 H115159 -4.196 2.714 -3.293 + 2950TIP3 H215160 -4.299 2.805 -3.232 + 2951TIP3 OH215161 -2.442 2.815 -2.716 + 2951TIP3 H115162 -2.452 2.721 -2.738 + 2951TIP3 H215163 -2.534 2.839 -2.691 + 2952TIP3 OH215164 -3.378 2.737 -2.839 + 2952TIP3 H115165 -3.370 2.819 -2.787 + 2952TIP3 H215166 -3.468 2.708 -2.816 + 2953TIP3 OH215167 -3.346 3.117 -3.846 + 2953TIP3 H115168 -3.348 3.128 -3.943 + 2953TIP3 H215169 -3.342 3.209 -3.815 + 2954TIP3 OH215170 -3.975 3.032 -3.679 + 2954TIP3 H115171 -3.954 2.990 -3.593 + 2954TIP3 H215172 -4.054 2.980 -3.703 + 2955TIP3 OH215173 -3.022 3.080 -4.137 + 2955TIP3 H115174 -2.979 3.021 -4.202 + 2955TIP3 H215175 -3.020 3.025 -4.057 + 2956TIP3 OH215176 -3.075 3.006 -3.862 + 2956TIP3 H115177 -3.168 3.023 -3.841 + 2956TIP3 H215178 -3.053 2.938 -3.796 + 2957TIP3 OH215179 -2.763 1.951 -2.678 + 2957TIP3 H115180 -2.816 1.991 -2.749 + 2957TIP3 H215181 -2.759 1.858 -2.707 + 2958TIP3 OH215182 -4.071 2.616 -2.863 + 2958TIP3 H115183 -4.042 2.559 -2.789 + 2958TIP3 H215184 -4.147 2.566 -2.901 + 2959TIP3 OH215185 -3.746 1.460 -3.290 + 2959TIP3 H115186 -3.829 1.452 -3.341 + 2959TIP3 H215187 -3.767 1.536 -3.234 + 2960TIP3 OH215188 -3.311 1.419 -2.923 + 2960TIP3 H115189 -3.264 1.368 -2.855 + 2960TIP3 H215190 -3.403 1.390 -2.912 + 2961TIP3 OH215191 -2.994 1.800 -2.873 + 2961TIP3 H115192 -3.055 1.785 -2.798 + 2961TIP3 H215193 -3.001 1.896 -2.888 + 2962TIP3 OH215194 -2.815 2.267 -4.251 + 2962TIP3 H115195 -2.860 2.252 -4.335 + 2962TIP3 H215196 -2.782 2.357 -4.266 + 2963TIP3 OH215197 -3.326 1.657 -4.215 + 2963TIP3 H115198 -3.384 1.665 -4.138 + 2963TIP3 H215199 -3.374 1.591 -4.267 + 2964TIP3 OH215200 -3.761 1.942 -3.149 + 2964TIP3 H115201 -3.820 1.954 -3.072 + 2964TIP3 H215202 -3.755 2.033 -3.184 + 2965TIP3 OH215203 -3.769 1.947 -3.660 + 2965TIP3 H115204 -3.865 1.944 -3.678 + 2965TIP3 H215205 -3.734 1.932 -3.750 + 2966TIP3 OH215206 -3.201 2.002 -3.787 + 2966TIP3 H115207 -3.240 2.086 -3.818 + 2966TIP3 H215208 -3.135 1.985 -3.857 + 2967TIP3 OH215209 -3.287 2.026 -2.648 + 2967TIP3 H115210 -3.338 1.951 -2.611 + 2967TIP3 H215211 -3.200 2.013 -2.605 + 2968TIP3 OH215212 -3.122 1.944 -3.505 + 2968TIP3 H115213 -3.149 2.003 -3.578 + 2968TIP3 H215214 -3.101 1.864 -3.557 + 2969TIP3 OH215215 -4.024 1.958 -2.965 + 2969TIP3 H115216 -3.997 1.996 -2.880 + 2969TIP3 H215217 -4.052 1.869 -2.938 + 2970TIP3 OH215218 -3.652 1.696 -4.310 + 2970TIP3 H115219 -3.691 1.671 -4.225 + 2970TIP3 H215220 -3.725 1.750 -4.348 + 2971TIP3 OH215221 -4.322 1.719 -3.597 + 2971TIP3 H115222 -4.305 1.692 -3.505 + 2971TIP3 H215223 -4.279 1.649 -3.647 + 2972TIP3 OH215224 -4.207 1.758 -4.024 + 2972TIP3 H115225 -4.145 1.787 -4.093 + 2972TIP3 H215226 -4.286 1.808 -4.045 + 2973TIP3 OH215227 -3.212 2.113 -3.059 + 2973TIP3 H115228 -3.167 2.041 -3.109 + 2973TIP3 H215229 -3.244 2.066 -2.981 + 2974TIP3 OH215230 -3.490 1.706 -3.558 + 2974TIP3 H115231 -3.585 1.704 -3.535 + 2974TIP3 H215232 -3.449 1.692 -3.471 + 2975TIP3 OH215233 -4.041 1.833 -3.693 + 2975TIP3 H115234 -4.112 1.855 -3.755 + 2975TIP3 H215235 -4.004 1.752 -3.732 + 2976TIP3 OH215236 -3.673 1.867 -3.923 + 2976TIP3 H115237 -3.576 1.876 -3.918 + 2976TIP3 H215238 -3.698 1.927 -3.996 + 2977TIP3 OH215239 -3.051 1.619 -3.256 + 2977TIP3 H115240 -3.114 1.623 -3.181 + 2977TIP3 H215241 -3.111 1.590 -3.326 + 2978TIP3 OH215242 -3.812 1.982 -4.158 + 2978TIP3 H115243 -3.874 1.934 -4.216 + 2978TIP3 H215244 -3.739 2.003 -4.218 + 2979TIP3 OH215245 -2.751 3.200 -2.589 + 2979TIP3 H115246 -2.729 3.246 -2.672 + 2979TIP3 H215247 -2.680 3.231 -2.530 + 2980TIP3 OH215248 -3.953 2.460 -2.647 + 2980TIP3 H115249 -3.890 2.465 -2.572 + 2980TIP3 H215250 -4.037 2.472 -2.598 + 2981TIP3 OH215251 -3.390 1.961 -3.376 + 2981TIP3 H115252 -3.314 1.921 -3.420 + 2981TIP3 H215253 -3.404 1.901 -3.300 + 2982TIP3 OH215254 -3.871 1.599 -3.753 + 2982TIP3 H115255 -3.914 1.513 -3.749 + 2982TIP3 H215256 -3.789 1.578 -3.799 + 2983TIP3 OH215257 -3.492 1.807 -3.149 + 2983TIP3 H115258 -3.569 1.867 -3.150 + 2983TIP3 H215259 -3.444 1.834 -3.069 + 2984TIP3 OH215260 -3.475 2.445 -3.960 + 2984TIP3 H115261 -3.553 2.398 -3.995 + 2984TIP3 H215262 -3.496 2.452 -3.864 + 2985TIP3 OH215263 -2.754 2.363 -3.087 + 2985TIP3 H115264 -2.705 2.418 -3.151 + 2985TIP3 H215265 -2.840 2.353 -3.133 + 2986TIP3 OH215266 -3.060 1.723 -4.182 + 2986TIP3 H115267 -3.158 1.723 -4.188 + 2986TIP3 H215268 -3.040 1.801 -4.127 + 2987TIP3 OH215269 -3.315 2.448 -2.828 + 2987TIP3 H115270 -3.343 2.418 -2.741 + 2987TIP3 H215271 -3.343 2.540 -2.829 + 2988TIP3 OH215272 -3.000 1.909 -3.988 + 2988TIP3 H115273 -2.914 1.893 -3.946 + 2988TIP3 H215274 -2.987 1.997 -4.029 + 2989TIP3 OH215275 -3.978 2.377 -3.391 + 2989TIP3 H115276 -3.910 2.371 -3.460 + 2989TIP3 H215277 -3.961 2.296 -3.339 + 2990TIP3 OH215278 -3.233 2.581 -4.069 + 2990TIP3 H115279 -3.262 2.670 -4.038 + 2990TIP3 H215280 -3.311 2.528 -4.042 + 2991TIP3 OH215281 -4.238 2.231 -2.823 + 2991TIP3 H115282 -4.231 2.166 -2.752 + 2991TIP3 H215283 -4.287 2.180 -2.892 + 2992TIP3 OH215284 -3.541 2.164 -2.653 + 2992TIP3 H115285 -3.575 2.139 -2.740 + 2992TIP3 H215286 -3.447 2.137 -2.662 + 2993TIP3 OH215287 -3.088 2.704 -2.881 + 2993TIP3 H115288 -3.184 2.716 -2.887 + 2993TIP3 H215289 -3.070 2.733 -2.789 + 2994TIP3 OH215290 -2.531 1.921 -3.999 + 2994TIP3 H115291 -2.593 1.901 -4.072 + 2994TIP3 H215292 -2.517 2.016 -4.017 + 2995TIP3 OH215293 -2.489 2.514 -2.723 + 2995TIP3 H115294 -2.582 2.537 -2.743 + 2995TIP3 H215295 -2.454 2.499 -2.813 + 2996TIP3 OH215296 -2.709 2.774 -3.992 + 2996TIP3 H115297 -2.735 2.698 -3.939 + 2996TIP3 H215298 -2.672 2.734 -4.072 + 2997TIP3 OH215299 -2.990 2.306 -3.256 + 2997TIP3 H115300 -3.083 2.292 -3.280 + 2997TIP3 H215301 -2.946 2.235 -3.306 + 2998TIP3 OH215302 -3.727 2.715 -3.651 + 2998TIP3 H115303 -3.686 2.802 -3.664 + 2998TIP3 H215304 -3.819 2.733 -3.675 + 2999TIP3 OH215305 -4.150 2.194 -4.163 + 2999TIP3 H115306 -4.078 2.257 -4.143 + 2999TIP3 H215307 -4.221 2.257 -4.187 + 3000TIP3 OH215308 -3.544 2.484 -3.691 + 3000TIP3 H115309 -3.571 2.575 -3.675 + 3000TIP3 H215310 -3.615 2.434 -3.648 + 3001TIP3 OH215311 -3.526 2.910 -3.055 + 3001TIP3 H115312 -3.471 2.985 -3.084 + 3001TIP3 H215313 -3.464 2.861 -2.998 + 3002TIP3 OH215314 -3.682 3.004 -3.733 + 3002TIP3 H115315 -3.777 3.018 -3.724 + 3002TIP3 H215316 -3.647 3.092 -3.708 + 3003TIP3 OH215317 -3.186 2.484 -3.099 + 3003TIP3 H115318 -3.214 2.458 -3.009 + 3003TIP3 H215319 -3.112 2.424 -3.115 + 3004TIP3 OH215320 -2.969 2.612 -4.194 + 3004TIP3 H115321 -2.921 2.568 -4.122 + 3004TIP3 H215322 -3.060 2.604 -4.160 + 3005TIP3 OH215323 -2.891 2.942 -2.859 + 3005TIP3 H115324 -2.967 2.898 -2.902 + 3005TIP3 H215325 -2.880 3.022 -2.914 + 3006TIP3 OH215326 -2.481 3.059 -4.160 + 3006TIP3 H115327 -2.411 3.126 -4.145 + 3006TIP3 H215328 -2.560 3.111 -4.136 + 3007TIP3 OH215329 -4.100 1.687 -2.887 + 3007TIP3 H115330 -4.186 1.724 -2.915 + 3007TIP3 H215331 -4.123 1.602 -2.846 + 3008TIP3 OH215332 -2.871 2.473 -3.968 + 3008TIP3 H115333 -2.897 2.403 -3.906 + 3008TIP3 H215334 -2.774 2.471 -3.960 + 3009TIP3 OH215335 -4.128 2.857 -3.046 + 3009TIP3 H115336 -4.109 2.763 -3.035 + 3009TIP3 H215337 -4.095 2.892 -2.962 + 3010TIP3 OH215338 -3.520 2.717 -4.327 + 3010TIP3 H115339 -3.482 2.631 -4.354 + 3010TIP3 H215340 -3.574 2.690 -4.250 + 3011TIP3 OH215341 -3.662 2.672 -4.078 + 3011TIP3 H115342 -3.613 2.621 -4.012 + 3011TIP3 H215343 -3.645 2.764 -4.050 + 3012TIP3 OH215344 -3.984 2.409 -4.038 + 3012TIP3 H115345 -4.058 2.449 -3.987 + 3012TIP3 H215346 -3.941 2.491 -4.068 + 3013TIP3 OH215347 -3.206 1.660 -3.037 + 3013TIP3 H115348 -3.149 1.691 -2.966 + 3013TIP3 H215349 -3.260 1.591 -2.994 + 3014TIP3 OH215350 -3.146 1.617 -3.921 + 3014TIP3 H115351 -3.122 1.669 -3.999 + 3014TIP3 H215352 -3.101 1.664 -3.850 + 3015TIP3 OH215353 -3.369 2.831 -4.028 + 3015TIP3 H115354 -3.447 2.882 -4.003 + 3015TIP3 H215355 -3.317 2.898 -4.075 + 3016TIP3 OH215356 -3.404 1.806 -3.815 + 3016TIP3 H115357 -3.328 1.866 -3.802 + 3016TIP3 H215358 -3.434 1.792 -3.723 + 3017TIP3 OH215359 -3.368 1.895 -2.900 + 3017TIP3 H115360 -3.365 1.950 -2.819 + 3017TIP3 H215361 -3.313 1.821 -2.874 + 3018TIP3 OH215362 -3.338 1.510 -3.721 + 3018TIP3 H115363 -3.364 1.581 -3.659 + 3018TIP3 H215364 -3.271 1.556 -3.775 + 3019TIP3 OH215365 -3.648 2.949 -4.025 + 3019TIP3 H115366 -3.645 3.034 -4.074 + 3019TIP3 H215367 -3.662 2.979 -3.933 + 3020TIP3 OH215368 -3.773 1.616 -4.074 + 3020TIP3 H115369 -3.771 1.694 -4.015 + 3020TIP3 H215370 -3.695 1.566 -4.042 + 3021TIP3 OH215371 -2.741 1.699 -2.811 + 3021TIP3 H115372 -2.837 1.712 -2.826 + 3021TIP3 H215373 -2.714 1.678 -2.901 + 3022TIP3 OH215374 -2.890 2.082 -3.409 + 3022TIP3 H115375 -2.972 2.037 -3.435 + 3022TIP3 H215376 -2.842 2.010 -3.361 + 3023TIP3 OH215377 -3.934 2.698 -4.152 + 3023TIP3 H115378 -3.851 2.728 -4.113 + 3023TIP3 H215379 -3.902 2.657 -4.234 + 3024TIP3 OH215380 -4.099 1.926 -4.267 + 3024TIP3 H115381 -4.103 2.016 -4.229 + 3024TIP3 H215382 -4.192 1.907 -4.288 + 3025TIP3 OH215383 -2.787 2.967 -3.269 + 3025TIP3 H115384 -2.805 3.049 -3.320 + 3025TIP3 H215385 -2.694 2.982 -3.245 + 3026TIP3 OH215386 -4.024 1.408 -3.375 + 3026TIP3 H115387 -4.057 1.409 -3.466 + 3026TIP3 H215388 -4.071 1.331 -3.338 + 3027TIP3 OH215389 -4.134 2.782 -3.744 + 3027TIP3 H115390 -4.227 2.809 -3.741 + 3027TIP3 H215391 -4.105 2.816 -3.830 + 3028TIP3 OH215392 -4.214 3.052 -2.623 + 3028TIP3 H115393 -4.151 3.053 -2.549 + 3028TIP3 H215394 -4.215 2.956 -2.638 + 3029TIP3 OH215395 -3.726 2.965 -2.450 + 3029TIP3 H115396 -3.657 2.900 -2.429 + 3029TIP3 H215397 -3.750 2.938 -2.540 + 3030TIP3 OH215398 -3.305 2.901 -4.332 + 3030TIP3 H115399 -3.386 2.846 -4.327 + 3030TIP3 H215400 -3.240 2.832 -4.352 + 3031TIP3 OH215401 -3.080 2.792 -2.593 + 3031TIP3 H115402 -3.119 2.711 -2.555 + 3031TIP3 H215403 -3.011 2.815 -2.528 + 3032TIP3 OH215404 -2.919 2.873 -4.289 + 3032TIP3 H115405 -2.895 2.791 -4.243 + 3032TIP3 H215406 -2.833 2.911 -4.316 + 3033TIP3 OH215407 -4.200 2.457 -2.561 + 3033TIP3 H115408 -4.190 2.368 -2.598 + 3033TIP3 H215409 -4.287 2.484 -2.594 + 3034TIP3 OH215410 -3.779 2.464 -4.315 + 3034TIP3 H115411 -3.753 2.413 -4.236 + 3034TIP3 H215412 -3.699 2.466 -4.370 + 3035TIP3 OH215413 -3.538 2.441 -2.582 + 3035TIP3 H115414 -3.569 2.474 -2.668 + 3035TIP3 H215415 -3.532 2.345 -2.598 + 3036TIP3 OH215416 -3.245 2.581 -4.348 + 3036TIP3 H115417 -3.230 2.593 -4.252 + 3036TIP3 H215418 -3.180 2.513 -4.371 + 3037TIP3 OH215419 -3.001 2.403 -2.844 + 3037TIP3 H115420 -2.923 2.457 -2.863 + 3037TIP3 H215421 -3.071 2.470 -2.845 + 3038TIP3 OH215422 -4.135 2.125 -2.584 + 3038TIP3 H115423 -4.054 2.073 -2.595 + 3038TIP3 H215424 -4.123 2.158 -2.493 + 3039TIP3 OH215425 -3.674 2.274 -4.091 + 3039TIP3 H115426 -3.736 2.228 -4.031 + 3039TIP3 H215427 -3.639 2.200 -4.144 + 3040TIP3 OH215428 -3.750 2.048 -2.856 + 3040TIP3 H115429 -3.805 2.127 -2.838 + 3040TIP3 H215430 -3.684 2.084 -2.918 + 3041TIP3 OH215431 -3.554 2.080 -4.272 + 3041TIP3 H115432 -3.551 2.060 -4.367 + 3041TIP3 H215433 -3.458 2.080 -4.251 + 3042TIP3 OH215434 -3.219 2.319 -2.500 + 3042TIP3 H115435 -3.130 2.300 -2.532 + 3042TIP3 H215436 -3.244 2.235 -2.460 + 3043TIP3 OH215437 -3.692 1.778 -2.741 + 3043TIP3 H115438 -3.684 1.712 -2.813 + 3043TIP3 H215439 -3.712 1.859 -2.791 + 3044TIP3 OH215440 -3.656 1.621 -2.998 + 3044TIP3 H115441 -3.605 1.677 -3.060 + 3044TIP3 H215442 -3.747 1.627 -3.033 + 3045TIP3 OH215443 -3.501 2.169 -2.957 + 3045TIP3 H115444 -3.417 2.162 -3.005 + 3045TIP3 H215445 -3.533 2.256 -2.987 + 3046TIP3 OH215446 -3.045 1.962 -2.479 + 3046TIP3 H115447 -3.022 1.869 -2.464 + 3046TIP3 H215448 -2.957 2.003 -2.484 + 3047TIP3 OH215449 -2.947 2.242 -2.629 + 3047TIP3 H115450 -2.982 2.303 -2.697 + 3047TIP3 H215451 -2.857 2.228 -2.665 + 3048TIP3 OH215452 -3.881 1.968 -2.566 + 3048TIP3 H115453 -3.930 1.884 -2.564 + 3048TIP3 H215454 -3.797 1.941 -2.607 + 3049TIP3 OH215455 -3.579 1.354 -2.970 + 3049TIP3 H115456 -3.598 1.449 -2.983 + 3049TIP3 H215457 -3.654 1.314 -3.019 + 3050TIP3 OH215458 -3.458 1.814 -2.583 + 3050TIP3 H115459 -3.492 1.793 -2.494 + 3050TIP3 H215460 -3.538 1.795 -2.636 + 3051TIP3 OH215461 -3.205 1.717 -2.698 + 3051TIP3 H115462 -3.293 1.724 -2.655 + 3051TIP3 H215463 -3.158 1.657 -2.637 + 3052TIP3 OH215464 -3.021 1.568 -2.524 + 3052TIP3 H115465 -3.035 1.472 -2.507 + 3052TIP3 H215466 -3.038 1.608 -2.436 + 3053TIP3 OH215467 -4.017 1.712 -2.580 + 3053TIP3 H115468 -4.015 1.639 -2.644 + 3053TIP3 H215469 -4.031 1.666 -2.495 + 3054TIP3 OH215470 -3.601 1.307 -2.681 + 3054TIP3 H115471 -3.543 1.230 -2.672 + 3054TIP3 H215472 -3.601 1.322 -2.777 + 3055TIP3 OH215473 -3.505 1.494 -2.497 + 3055TIP3 H115474 -3.537 1.433 -2.566 + 3055TIP3 H215475 -3.575 1.560 -2.491 + 3056TIP3 OH215476 -3.593 3.197 -4.172 + 3056TIP3 H115477 -3.498 3.213 -4.163 + 3056TIP3 H215478 -3.619 3.257 -4.243 + 3057TIP3 OH215479 -4.190 2.641 -4.233 + 3057TIP3 H115480 -4.102 2.662 -4.193 + 3057TIP3 H215481 -4.172 2.559 -4.280 + 3058TIP3 OH215482 -4.275 2.965 -3.524 + 3058TIP3 H115483 -4.277 2.876 -3.486 + 3058TIP3 H215484 -4.243 3.015 -3.447 + 3059TIP3 OH215485 -2.517 3.086 -3.218 + 3059TIP3 H115486 -2.498 3.083 -3.123 + 3059TIP3 H215487 -2.431 3.113 -3.254 + 3060TIP3 OH215488 -2.528 3.030 -2.930 + 3060TIP3 H115489 -2.576 2.954 -2.968 + 3060TIP3 H215490 -2.468 2.984 -2.869 + 3061TIP3 OH215491 -2.726 2.571 -2.501 + 3061TIP3 H115492 -2.815 2.581 -2.463 + 3061TIP3 H215493 -2.681 2.652 -2.473 + 3062TIP3 OH215494 -2.586 2.456 -3.930 + 3062TIP3 H115495 -2.497 2.493 -3.917 + 3062TIP3 H215496 -2.589 2.393 -3.856 + 3063TIP3 OH215497 -2.541 2.256 -3.732 + 3063TIP3 H115498 -2.607 2.200 -3.687 + 3063TIP3 H215499 -2.472 2.270 -3.664 + 3064TIP3 OH215500 -2.568 2.508 -3.234 + 3064TIP3 H115501 -2.505 2.460 -3.291 + 3064TIP3 H215502 -2.554 2.600 -3.262 + 3065TIP3 OH215503 -2.696 2.798 -3.008 + 3065TIP3 H115504 -2.769 2.841 -2.960 + 3065TIP3 H215505 -2.742 2.764 -3.088 + 3066TIP3 OH215506 -2.515 2.221 -4.106 + 3066TIP3 H115507 -2.574 2.253 -4.176 + 3066TIP3 H215508 -2.530 2.290 -4.039 + 3067TIP3 OH215509 -2.693 1.959 -4.218 + 3067TIP3 H115510 -2.663 2.037 -4.267 + 3067TIP3 H215511 -2.645 1.889 -4.263 + 3068TIP3 OH215512 -2.747 2.070 -3.650 + 3068TIP3 H115513 -2.756 1.975 -3.666 + 3068TIP3 H215514 -2.785 2.080 -3.560 + 3069TIP3 OH215515 -4.256 2.321 -3.253 + 3069TIP3 H115516 -4.222 2.345 -3.341 + 3069TIP3 H215517 -4.177 2.280 -3.213 + 3070TIP3 OH215518 -2.686 2.264 -2.736 + 3070TIP3 H115519 -2.612 2.204 -2.718 + 3070TIP3 H215520 -2.642 2.347 -2.756 + 3071TIP3 OH215521 -2.530 2.074 -2.613 + 3071TIP3 H115522 -2.610 2.022 -2.636 + 3071TIP3 H215523 -2.460 2.006 -2.617 + 3072TIP3 OH215524 -2.765 1.633 -4.339 + 3072TIP3 H115525 -2.710 1.625 -4.261 + 3072TIP3 H215526 -2.855 1.609 -4.309 + 3073TIP3 OH215527 -2.767 1.824 -3.836 + 3073TIP3 H115528 -2.738 1.730 -3.829 + 3073TIP3 H215529 -2.687 1.864 -3.872 + 3074TIP3 OH215530 -2.737 1.881 -3.289 + 3074TIP3 H115531 -2.640 1.893 -3.293 + 3074TIP3 H215532 -2.751 1.887 -3.193 + 3075TIP3 OH215533 -2.721 1.951 -3.008 + 3075TIP3 H115534 -2.806 1.991 -2.980 + 3075TIP3 H215535 -2.668 2.031 -3.028 + 3076TIP3 OH215536 -4.285 1.815 -2.647 + 3076TIP3 H115537 -4.195 1.778 -2.643 + 3076TIP3 H215538 -4.343 1.741 -2.625 + 3077TIP3 OH215539 -2.462 1.368 -2.476 + 3077TIP3 H115540 -2.423 1.297 -2.531 + 3077TIP3 H215541 -2.461 1.444 -2.537 + 3078TIP3 OH215542 -2.705 1.553 -3.829 + 3078TIP3 H115543 -2.697 1.514 -3.740 + 3078TIP3 H215544 -2.784 1.505 -3.863 + 3079TIP3 OH215545 -4.195 1.671 -3.329 + 3079TIP3 H115546 -4.159 1.581 -3.332 + 3079TIP3 H215547 -4.115 1.724 -3.311 + 3080TIP3 OH215548 -4.334 1.933 -3.245 + 3080TIP3 H115549 -4.294 1.882 -3.317 + 3080TIP3 H215550 -4.317 2.024 -3.273 + 3081TIP3 OH215551 -2.527 1.571 -2.654 + 3081TIP3 H115552 -2.615 1.612 -2.649 + 3081TIP3 H215553 -2.538 1.516 -2.734 + 3082TIP3 OH215554 -2.512 1.586 -4.175 + 3082TIP3 H115555 -2.486 1.518 -4.238 + 3082TIP3 H215556 -2.430 1.639 -4.170 + 3083TIP3 OH215557 -4.314 1.545 -3.895 + 3083TIP3 H115558 -4.399 1.576 -3.931 + 3083TIP3 H215559 -4.255 1.615 -3.930 + 3084TIP3 OH215560 -2.828 3.086 -3.641 + 3084TIP3 H115561 -2.779 3.062 -3.721 + 3084TIP3 H215562 -2.760 3.128 -3.587 + 3085TIP3 OH215563 -4.291 1.439 -3.059 + 3085TIP3 H115564 -4.359 1.432 -2.987 + 3085TIP3 H215565 -4.334 1.491 -3.128 + 3086TIP3 OH215566 -4.118 2.794 -2.589 + 3086TIP3 H115567 -4.169 2.732 -2.641 + 3086TIP3 H215568 -4.133 2.761 -2.498 + 3087TIP3 OH215569 -3.802 2.860 -2.997 + 3087TIP3 H115570 -3.833 2.944 -3.036 + 3087TIP3 H215571 -3.706 2.869 -3.016 + 3088TIP3 OH215572 -3.352 2.989 -2.699 + 3088TIP3 H115573 -3.337 2.973 -2.604 + 3088TIP3 H215574 -3.269 3.035 -2.724 + 3089TIP3 OH215575 -3.124 3.135 -2.774 + 3089TIP3 H115576 -3.054 3.071 -2.798 + 3089TIP3 H215577 -3.092 3.166 -2.687 + 3090TIP3 OH215578 -2.648 1.392 -2.858 + 3090TIP3 H115579 -2.722 1.420 -2.915 + 3090TIP3 H215580 -2.626 1.304 -2.894 + 3091TIP3 OH215581 -4.070 3.164 -2.974 + 3091TIP3 H115582 -4.137 3.216 -3.022 + 3091TIP3 H215583 -4.101 3.173 -2.883 + 3092TIP3 OH215584 -3.818 3.132 -3.110 + 3092TIP3 H115585 -3.905 3.151 -3.069 + 3092TIP3 H215586 -3.814 3.198 -3.181 + 3093TIP3 OH215587 -3.342 3.131 -3.155 + 3093TIP3 H115588 -3.379 3.176 -3.233 + 3093TIP3 H215589 -3.332 3.206 -3.093 + 3094TIP3 OH215590 -3.108 3.002 -3.063 + 3094TIP3 H115591 -3.193 3.039 -3.096 + 3094TIP3 H215592 -3.051 3.080 -3.066 + 3095TIP3 OH215593 -2.856 3.175 -3.045 + 3095TIP3 H115594 -2.859 3.271 -3.066 + 3095TIP3 H215595 -2.826 3.140 -3.130 + 3096TIP3 OH215596 -4.125 3.040 -3.276 + 3096TIP3 H115597 -4.134 2.995 -3.190 + 3096TIP3 H215598 -4.049 2.993 -3.315 + 3097TIP3 OH215599 -3.910 2.914 -3.424 + 3097TIP3 H115600 -3.926 2.821 -3.398 + 3097TIP3 H215601 -3.819 2.929 -3.392 + 3098TIP3 OH215602 -3.630 2.956 -3.339 + 3098TIP3 H115603 -3.612 2.863 -3.362 + 3098TIP3 H215604 -3.624 2.952 -3.243 + 3099TIP3 OH215605 -3.295 1.546 -3.407 + 3099TIP3 H115606 -3.362 1.478 -3.388 + 3099TIP3 H215607 -3.239 1.501 -3.472 + 3100TIP3 OH215608 -2.801 1.344 -3.369 + 3100TIP3 H115609 -2.724 1.392 -3.405 + 3100TIP3 H215610 -2.875 1.382 -3.420 + 3101TIP3 OH215611 -2.595 1.456 -3.576 + 3101TIP3 H115612 -2.523 1.414 -3.626 + 3101TIP3 H215613 -2.562 1.548 -3.567 + 3102TIP3 OH215614 -4.107 1.403 -3.654 + 3102TIP3 H115615 -4.179 1.376 -3.712 + 3102TIP3 H215616 -4.045 1.328 -3.666 + 3103TIP3 OH215617 -4.180 1.368 -4.080 + 3103TIP3 H115618 -4.130 1.434 -4.134 + 3103TIP3 H215619 -4.229 1.426 -4.020 + 3104TIP3 OH215620 -3.614 1.396 -3.660 + 3104TIP3 H115621 -3.523 1.427 -3.675 + 3104TIP3 H215622 -3.615 1.386 -3.564 + 3105TIP3 OH215623 -3.050 1.402 -3.521 + 3105TIP3 H115624 -3.032 1.394 -3.616 + 3105TIP3 H215625 -3.094 1.317 -3.501 + 3106TIP3 OH215626 -2.936 1.433 -3.915 + 3106TIP3 H115627 -3.011 1.487 -3.946 + 3106TIP3 H215628 -2.979 1.346 -3.918 + 3107TIP3 OH215629 -4.180 2.979 -3.982 + 3107TIP3 H115630 -4.253 2.964 -4.043 + 3107TIP3 H215631 -4.190 3.072 -3.963 + 3108TIP3 OH215632 -4.011 1.546 -4.231 + 3108TIP3 H115633 -3.957 1.485 -4.283 + 3108TIP3 H215634 -3.943 1.591 -4.177 + 3109TIP3 OH215635 -3.504 1.563 -3.958 + 3109TIP3 H115636 -3.465 1.507 -3.890 + 3109TIP3 H215637 -3.477 1.651 -3.926 + 3110TIP3 OH215638 -3.297 3.124 -4.145 + 3110TIP3 H115639 -3.200 3.137 -4.150 + 3110TIP3 H215640 -3.309 3.064 -4.221 + 3111TIP3 OH215641 -2.636 3.044 -3.884 + 3111TIP3 H115642 -2.665 2.961 -3.927 + 3111TIP3 H215643 -2.657 3.110 -3.953 + 3112TIP3 OH215644 -4.077 1.438 -2.707 + 3112TIP3 H115645 -4.124 1.366 -2.662 + 3112TIP3 H215646 -3.987 1.426 -2.672 + 3113TIP3 OH215647 -3.845 1.378 -2.529 + 3113TIP3 H115648 -3.763 1.342 -2.566 + 3113TIP3 H215649 -3.878 1.300 -2.480 + 3114TIP3 OH215650 -3.967 3.065 -4.250 + 3114TIP3 H115651 -4.020 3.097 -4.176 + 3114TIP3 H215652 -3.917 2.992 -4.213 + 3115TIP3 OH215653 -3.033 1.288 -2.516 + 3115TIP3 H115654 -3.032 1.245 -2.429 + 3115TIP3 H215655 -2.938 1.286 -2.539 + 3116TIP3 OH215656 -2.696 2.922 -2.639 + 3116TIP3 H115657 -2.768 2.904 -2.702 + 3116TIP3 H215658 -2.711 3.016 -2.621 + 3117TIP3 OH215659 -1.273 2.293 -3.632 + 3117TIP3 H115660 -1.277 2.388 -3.613 + 3117TIP3 H215661 -1.352 2.280 -3.685 + 3118TIP3 OH215662 -1.385 2.233 -3.322 + 3118TIP3 H115663 -1.390 2.180 -3.241 + 3118TIP3 H215664 -1.418 2.170 -3.388 + 3119TIP3 OH215665 -2.141 2.192 -3.153 + 3119TIP3 H115666 -2.142 2.118 -3.089 + 3119TIP3 H215667 -2.071 2.248 -3.116 + 3120TIP3 OH215668 -1.019 2.506 -3.488 + 3120TIP3 H115669 -1.059 2.438 -3.433 + 3120TIP3 H215670 -0.997 2.573 -3.422 + 3121TIP3 OH215671 -2.078 2.654 -3.299 + 3121TIP3 H115672 -2.099 2.563 -3.327 + 3121TIP3 H215673 -1.982 2.646 -3.284 + 3122TIP3 OH215674 -2.377 1.995 -3.762 + 3122TIP3 H115675 -2.415 2.084 -3.752 + 3122TIP3 H215676 -2.447 1.949 -3.809 + 3123TIP3 OH215677 -2.297 2.242 -3.579 + 3123TIP3 H115678 -2.281 2.159 -3.529 + 3123TIP3 H215679 -2.213 2.255 -3.624 + 3124TIP3 OH215680 -1.294 3.057 -3.415 + 3124TIP3 H115681 -1.284 2.983 -3.477 + 3124TIP3 H215682 -1.335 3.012 -3.339 + 3125TIP3 OH215683 -1.541 2.484 -3.262 + 3125TIP3 H115684 -1.507 2.414 -3.321 + 3125TIP3 H215685 -1.459 2.501 -3.211 + 3126TIP3 OH215686 -0.669 1.637 -3.203 + 3126TIP3 H115687 -0.648 1.697 -3.129 + 3126TIP3 H215688 -0.610 1.671 -3.272 + 3127TIP3 OH215689 -1.210 1.918 -3.212 + 3127TIP3 H115690 -1.196 1.822 -3.208 + 3127TIP3 H215691 -1.220 1.932 -3.308 + 3128TIP3 OH215692 -1.914 1.720 -3.505 + 3128TIP3 H115693 -1.900 1.805 -3.550 + 3128TIP3 H215694 -1.950 1.668 -3.579 + 3129TIP3 OH215695 -1.130 1.735 -3.674 + 3129TIP3 H115696 -1.072 1.692 -3.608 + 3129TIP3 H215697 -1.064 1.779 -3.730 + 3130TIP3 OH215698 -2.245 1.992 -3.453 + 3130TIP3 H115699 -2.181 1.945 -3.397 + 3130TIP3 H215700 -2.236 1.944 -3.538 + 3131TIP3 OH215701 -1.706 2.132 -3.509 + 3131TIP3 H115702 -1.637 2.076 -3.468 + 3131TIP3 H215703 -1.757 2.065 -3.559 + 3132TIP3 OH215704 -0.603 1.774 -2.952 + 3132TIP3 H115705 -0.662 1.846 -2.980 + 3132TIP3 H215706 -0.619 1.773 -2.857 + 3133TIP3 OH215707 -2.033 1.599 -3.088 + 3133TIP3 H115708 -2.073 1.649 -3.161 + 3133TIP3 H215709 -2.099 1.613 -3.018 + 3134TIP3 OH215710 -1.281 2.593 -3.753 + 3134TIP3 H115711 -1.327 2.561 -3.830 + 3134TIP3 H215712 -1.334 2.670 -3.727 + 3135TIP3 OH215713 -1.740 2.387 -3.076 + 3135TIP3 H115714 -1.813 2.447 -3.051 + 3135TIP3 H215715 -1.679 2.447 -3.121 + 3136TIP3 OH215716 -0.946 1.662 -3.470 + 3136TIP3 H115717 -0.985 1.600 -3.406 + 3136TIP3 H215718 -0.895 1.721 -3.413 + 3137TIP3 OH215719 -2.073 1.803 -3.295 + 3137TIP3 H115720 -2.009 1.861 -3.249 + 3137TIP3 H215721 -2.016 1.766 -3.366 + 3138TIP3 OH215722 -1.942 2.573 -3.002 + 3138TIP3 H115723 -1.944 2.664 -3.038 + 3138TIP3 H215724 -2.029 2.572 -2.958 + 3139TIP3 OH215725 -2.312 2.547 -3.917 + 3139TIP3 H115726 -2.329 2.591 -4.003 + 3139TIP3 H215727 -2.294 2.621 -3.856 + 3140TIP3 OH215728 -0.965 2.689 -3.240 + 3140TIP3 H115729 -1.062 2.701 -3.236 + 3140TIP3 H215730 -0.938 2.776 -3.274 + 3141TIP3 OH215731 -0.931 1.578 -3.086 + 3141TIP3 H115732 -1.009 1.615 -3.132 + 3141TIP3 H215733 -0.860 1.594 -3.151 + 3142TIP3 OH215734 -1.620 1.348 -3.381 + 3142TIP3 H115735 -1.643 1.253 -3.386 + 3142TIP3 H215736 -1.702 1.387 -3.344 + 3143TIP3 OH215737 -1.138 2.875 -3.593 + 3143TIP3 H115738 -1.081 2.804 -3.627 + 3143TIP3 H215739 -1.078 2.951 -3.592 + 3144TIP3 OH215740 -0.979 2.660 -3.730 + 3144TIP3 H115741 -1.051 2.625 -3.785 + 3144TIP3 H215742 -0.991 2.608 -3.648 + 3145TIP3 OH215743 -0.833 2.551 -2.870 + 3145TIP3 H115744 -0.847 2.489 -2.944 + 3145TIP3 H215745 -0.826 2.636 -2.917 + 3146TIP3 OH215746 -1.406 2.239 -3.905 + 3146TIP3 H115747 -1.474 2.302 -3.936 + 3146TIP3 H215748 -1.336 2.251 -3.971 + 3147TIP3 OH215749 -1.389 2.065 -4.207 + 3147TIP3 H115750 -1.322 2.095 -4.144 + 3147TIP3 H215751 -1.334 2.004 -4.262 + 3148TIP3 OH215752 -0.660 2.170 -3.076 + 3148TIP3 H115753 -0.734 2.234 -3.068 + 3148TIP3 H215754 -0.614 2.206 -3.155 + 3149TIP3 OH215755 -1.057 2.243 -3.795 + 3149TIP3 H115756 -1.127 2.265 -3.729 + 3149TIP3 H215757 -1.000 2.184 -3.741 + 3150TIP3 OH215758 -1.075 2.095 -2.909 + 3150TIP3 H115759 -1.069 2.178 -2.858 + 3150TIP3 H215760 -1.139 2.125 -2.977 + 3151TIP3 OH215761 -1.901 2.318 -3.615 + 3151TIP3 H115762 -1.930 2.276 -3.698 + 3151TIP3 H215763 -1.832 2.257 -3.583 + 3152TIP3 OH215764 -1.771 2.650 -3.339 + 3152TIP3 H115765 -1.772 2.628 -3.433 + 3152TIP3 H215766 -1.686 2.613 -3.310 + 3153TIP3 OH215767 -1.838 2.198 -3.266 + 3153TIP3 H115768 -1.783 2.205 -3.346 + 3153TIP3 H215769 -1.802 2.269 -3.208 + 3154TIP3 OH215770 -1.241 2.749 -3.207 + 3154TIP3 H115771 -1.244 2.820 -3.141 + 3154TIP3 H215772 -1.268 2.670 -3.158 + 3155TIP3 OH215773 -1.758 2.628 -2.781 + 3155TIP3 H115774 -1.806 2.699 -2.734 + 3155TIP3 H215775 -1.820 2.607 -2.853 + 3156TIP3 OH215776 -1.150 2.187 -4.056 + 3156TIP3 H115777 -1.109 2.214 -3.971 + 3156TIP3 H215778 -1.091 2.232 -4.120 + 3157TIP3 OH215779 -2.062 2.269 -2.869 + 3157TIP3 H115780 -2.057 2.330 -2.793 + 3157TIP3 H215781 -2.158 2.260 -2.879 + 3158TIP3 OH215782 -1.944 2.847 -2.703 + 3158TIP3 H115783 -1.955 2.856 -2.800 + 3158TIP3 H215784 -2.034 2.822 -2.673 + 3159TIP3 OH215785 -0.808 1.352 -4.077 + 3159TIP3 H115786 -0.902 1.367 -4.054 + 3159TIP3 H215787 -0.779 1.442 -4.100 + 3160TIP3 OH215788 -2.006 2.193 -3.863 + 3160TIP3 H115789 -2.029 2.270 -3.919 + 3160TIP3 H215790 -2.074 2.129 -3.889 + 3161TIP3 OH215791 -0.666 2.764 -4.206 + 3161TIP3 H115792 -0.678 2.861 -4.205 + 3161TIP3 H215793 -0.586 2.753 -4.258 + 3162TIP3 OH215794 -2.401 2.461 -2.990 + 3162TIP3 H115795 -2.444 2.462 -3.077 + 3162TIP3 H215796 -2.388 2.365 -2.974 + 3163TIP3 OH215797 -2.395 2.752 -3.295 + 3163TIP3 H115798 -2.302 2.725 -3.293 + 3163TIP3 H215799 -2.398 2.815 -3.222 + 3164TIP3 OH215800 -0.557 2.814 -2.718 + 3164TIP3 H115801 -0.569 2.719 -2.736 + 3164TIP3 H215802 -0.648 2.840 -2.691 + 3165TIP3 OH215803 -1.491 2.735 -2.839 + 3165TIP3 H115804 -1.483 2.819 -2.790 + 3165TIP3 H215805 -1.582 2.708 -2.816 + 3166TIP3 OH215806 -2.071 3.039 -3.691 + 3166TIP3 H115807 -2.037 2.994 -3.611 + 3166TIP3 H215808 -2.148 2.986 -3.712 + 3167TIP3 OH215809 -1.133 3.072 -4.148 + 3167TIP3 H115810 -1.088 3.009 -4.208 + 3167TIP3 H215811 -1.136 3.023 -4.064 + 3168TIP3 OH215812 -1.209 3.008 -3.858 + 3168TIP3 H115813 -1.303 3.022 -3.835 + 3168TIP3 H215814 -1.183 2.947 -3.787 + 3169TIP3 OH215815 -0.879 1.950 -2.678 + 3169TIP3 H115816 -0.929 1.991 -2.750 + 3169TIP3 H215817 -0.873 1.858 -2.708 + 3170TIP3 OH215818 -2.183 2.616 -2.864 + 3170TIP3 H115819 -2.155 2.567 -2.784 + 3170TIP3 H215820 -2.255 2.561 -2.899 + 3171TIP3 OH215821 -1.861 1.463 -3.291 + 3171TIP3 H115822 -1.945 1.457 -3.341 + 3171TIP3 H215823 -1.883 1.535 -3.230 + 3172TIP3 OH215824 -1.425 1.413 -2.920 + 3172TIP3 H115825 -1.378 1.347 -2.866 + 3172TIP3 H215826 -1.519 1.386 -2.911 + 3173TIP3 OH215827 -1.108 1.800 -2.873 + 3173TIP3 H115828 -1.169 1.786 -2.798 + 3173TIP3 H215829 -1.115 1.896 -2.889 + 3174TIP3 OH215830 -0.920 2.267 -4.255 + 3174TIP3 H115831 -0.978 2.252 -4.331 + 3174TIP3 H215832 -0.905 2.361 -4.265 + 3175TIP3 OH215833 -1.442 1.659 -4.216 + 3175TIP3 H115834 -1.497 1.664 -4.137 + 3175TIP3 H215835 -1.488 1.591 -4.266 + 3176TIP3 OH215836 -1.875 1.941 -3.148 + 3176TIP3 H115837 -1.935 1.954 -3.072 + 3176TIP3 H215838 -1.867 2.033 -3.184 + 3177TIP3 OH215839 -1.882 1.949 -3.660 + 3177TIP3 H115840 -1.977 1.940 -3.677 + 3177TIP3 H215841 -1.847 1.930 -3.750 + 3178TIP3 OH215842 -1.314 2.003 -3.785 + 3178TIP3 H115843 -1.355 2.087 -3.818 + 3178TIP3 H215844 -1.251 1.984 -3.857 + 3179TIP3 OH215845 -1.400 2.025 -2.649 + 3179TIP3 H115846 -1.452 1.952 -2.611 + 3179TIP3 H215847 -1.313 2.013 -2.606 + 3180TIP3 OH215848 -1.236 1.944 -3.505 + 3180TIP3 H115849 -1.264 2.002 -3.579 + 3180TIP3 H215850 -1.214 1.863 -3.556 + 3181TIP3 OH215851 -2.144 1.958 -2.964 + 3181TIP3 H115852 -2.113 1.989 -2.878 + 3181TIP3 H215853 -2.176 1.869 -2.942 + 3182TIP3 OH215854 -1.767 1.697 -4.314 + 3182TIP3 H115855 -1.803 1.672 -4.227 + 3182TIP3 H215856 -1.842 1.750 -4.349 + 3183TIP3 OH215857 -2.459 1.702 -3.599 + 3183TIP3 H115858 -2.395 1.701 -3.525 + 3183TIP3 H215859 -2.407 1.667 -3.673 + 3184TIP3 OH215860 -2.300 1.749 -4.038 + 3184TIP3 H115861 -2.244 1.797 -4.102 + 3184TIP3 H215862 -2.367 1.816 -4.017 + 3185TIP3 OH215863 -1.326 2.113 -3.059 + 3185TIP3 H115864 -1.282 2.041 -3.109 + 3185TIP3 H215865 -1.359 2.066 -2.981 + 3186TIP3 OH215866 -1.604 1.707 -3.557 + 3186TIP3 H115867 -1.699 1.704 -3.536 + 3186TIP3 H215868 -1.564 1.690 -3.470 + 3187TIP3 OH215869 -2.149 1.829 -3.689 + 3187TIP3 H115870 -2.230 1.858 -3.736 + 3187TIP3 H215871 -2.120 1.752 -3.740 + 3188TIP3 OH215872 -1.787 1.870 -3.922 + 3188TIP3 H115873 -1.690 1.876 -3.917 + 3188TIP3 H215874 -1.811 1.927 -3.997 + 3189TIP3 OH215875 -1.165 1.622 -3.254 + 3189TIP3 H115876 -1.231 1.623 -3.181 + 3189TIP3 H215877 -1.222 1.588 -3.326 + 3190TIP3 OH215878 -1.927 1.982 -4.157 + 3190TIP3 H115879 -1.991 1.935 -4.212 + 3190TIP3 H215880 -1.855 2.002 -4.218 + 3191TIP3 OH215881 -0.863 3.197 -2.590 + 3191TIP3 H115882 -0.845 3.246 -2.671 + 3191TIP3 H215883 -0.797 3.233 -2.529 + 3192TIP3 OH215884 -2.075 2.459 -2.647 + 3192TIP3 H115885 -2.007 2.470 -2.577 + 3192TIP3 H215886 -2.155 2.465 -2.591 + 3193TIP3 OH215887 -1.503 1.962 -3.374 + 3193TIP3 H115888 -1.429 1.919 -3.420 + 3193TIP3 H215889 -1.519 1.901 -3.300 + 3194TIP3 OH215890 -1.972 1.604 -3.762 + 3194TIP3 H115891 -2.027 1.526 -3.747 + 3194TIP3 H215892 -1.890 1.566 -3.796 + 3195TIP3 OH215893 -1.606 1.809 -3.150 + 3195TIP3 H115894 -1.684 1.866 -3.150 + 3195TIP3 H215895 -1.559 1.835 -3.068 + 3196TIP3 OH215896 -1.589 2.443 -3.959 + 3196TIP3 H115897 -1.668 2.399 -3.995 + 3196TIP3 H215898 -1.613 2.456 -3.864 + 3197TIP3 OH215899 -0.869 2.362 -3.088 + 3197TIP3 H115900 -0.821 2.418 -3.152 + 3197TIP3 H215901 -0.956 2.352 -3.132 + 3198TIP3 OH215902 -1.176 1.723 -4.185 + 3198TIP3 H115903 -1.274 1.721 -4.187 + 3198TIP3 H215904 -1.155 1.799 -4.127 + 3199TIP3 OH215905 -1.429 2.447 -2.827 + 3199TIP3 H115906 -1.459 2.419 -2.740 + 3199TIP3 H215907 -1.457 2.540 -2.830 + 3200TIP3 OH215908 -1.115 1.908 -3.988 + 3200TIP3 H115909 -1.029 1.891 -3.946 + 3200TIP3 H215910 -1.102 1.996 -4.029 + 3201TIP3 OH215911 -2.080 2.384 -3.379 + 3201TIP3 H115912 -2.023 2.377 -3.457 + 3201TIP3 H215913 -2.066 2.298 -3.336 + 3202TIP3 OH215914 -1.346 2.576 -4.069 + 3202TIP3 H115915 -1.373 2.665 -4.040 + 3202TIP3 H215916 -1.424 2.524 -4.041 + 3203TIP3 OH215917 -2.353 2.214 -2.851 + 3203TIP3 H115918 -2.336 2.168 -2.766 + 3203TIP3 H215919 -2.413 2.153 -2.897 + 3204TIP3 OH215920 -1.655 2.162 -2.652 + 3204TIP3 H115921 -1.691 2.139 -2.740 + 3204TIP3 H215922 -1.561 2.140 -2.665 + 3205TIP3 OH215923 -1.202 2.701 -2.880 + 3205TIP3 H115924 -1.298 2.716 -2.887 + 3205TIP3 H215925 -1.184 2.732 -2.789 + 3206TIP3 OH215926 -0.644 1.918 -3.998 + 3206TIP3 H115927 -0.706 1.896 -4.071 + 3206TIP3 H215928 -0.635 2.013 -4.017 + 3207TIP3 OH215929 -0.603 2.515 -2.724 + 3207TIP3 H115930 -0.696 2.538 -2.743 + 3207TIP3 H215931 -0.569 2.500 -2.814 + 3208TIP3 OH215932 -0.833 2.776 -3.994 + 3208TIP3 H115933 -0.856 2.701 -3.939 + 3208TIP3 H215934 -0.780 2.736 -4.066 + 3209TIP3 OH215935 -1.104 2.306 -3.256 + 3209TIP3 H115936 -1.197 2.292 -3.280 + 3209TIP3 H215937 -1.061 2.234 -3.306 + 3210TIP3 OH215938 -1.837 2.734 -3.656 + 3210TIP3 H115939 -1.772 2.806 -3.674 + 3210TIP3 H215940 -1.918 2.771 -3.692 + 3211TIP3 OH215941 -2.232 2.203 -4.197 + 3211TIP3 H115942 -2.178 2.271 -4.152 + 3211TIP3 H215943 -2.322 2.227 -4.169 + 3212TIP3 OH215944 -1.662 2.490 -3.692 + 3212TIP3 H115945 -1.685 2.583 -3.676 + 3212TIP3 H215946 -1.735 2.445 -3.648 + 3213TIP3 OH215947 -1.640 2.909 -3.055 + 3213TIP3 H115948 -1.588 2.986 -3.084 + 3213TIP3 H215949 -1.577 2.864 -2.997 + 3214TIP3 OH215950 -1.301 2.483 -3.099 + 3214TIP3 H115951 -1.329 2.459 -3.009 + 3214TIP3 H215952 -1.226 2.424 -3.114 + 3215TIP3 OH215953 -1.087 2.599 -4.194 + 3215TIP3 H115954 -1.039 2.560 -4.118 + 3215TIP3 H215955 -1.177 2.599 -4.158 + 3216TIP3 OH215956 -1.003 2.940 -2.862 + 3216TIP3 H115957 -1.082 2.898 -2.902 + 3216TIP3 H215958 -0.996 3.022 -2.913 + 3217TIP3 OH215959 -0.595 3.058 -4.160 + 3217TIP3 H115960 -0.526 3.125 -4.143 + 3217TIP3 H215961 -0.675 3.106 -4.129 + 3218TIP3 OH215962 -2.221 1.679 -2.890 + 3218TIP3 H115963 -2.312 1.704 -2.917 + 3218TIP3 H215964 -2.236 1.592 -2.850 + 3219TIP3 OH215965 -0.985 2.466 -3.974 + 3219TIP3 H115966 -1.015 2.403 -3.906 + 3219TIP3 H215967 -0.891 2.475 -3.954 + 3220TIP3 OH215968 -2.248 2.854 -3.049 + 3220TIP3 H115969 -2.213 2.765 -3.036 + 3220TIP3 H215970 -2.221 2.898 -2.967 + 3221TIP3 OH215971 -1.637 2.717 -4.331 + 3221TIP3 H115972 -1.599 2.630 -4.354 + 3221TIP3 H215973 -1.685 2.695 -4.249 + 3222TIP3 OH215974 -1.777 2.678 -4.075 + 3222TIP3 H115975 -1.728 2.625 -4.011 + 3222TIP3 H215976 -1.762 2.769 -4.042 + 3223TIP3 OH215977 -2.093 2.409 -4.036 + 3223TIP3 H115978 -2.168 2.451 -3.988 + 3223TIP3 H215979 -2.046 2.489 -4.067 + 3224TIP3 OH215980 -1.323 1.661 -3.036 + 3224TIP3 H115981 -1.262 1.689 -2.965 + 3224TIP3 H215982 -1.374 1.589 -2.993 + 3225TIP3 OH215983 -1.265 1.617 -3.921 + 3225TIP3 H115984 -1.234 1.667 -3.999 + 3225TIP3 H215985 -1.213 1.658 -3.850 + 3226TIP3 OH215986 -1.489 2.830 -4.045 + 3226TIP3 H115987 -1.545 2.869 -3.974 + 3226TIP3 H215988 -1.433 2.905 -4.066 + 3227TIP3 OH215989 -1.519 1.808 -3.815 + 3227TIP3 H115990 -1.441 1.866 -3.801 + 3227TIP3 H215991 -1.549 1.792 -3.724 + 3228TIP3 OH215992 -1.485 1.895 -2.900 + 3228TIP3 H115993 -1.478 1.950 -2.820 + 3228TIP3 H215994 -1.427 1.821 -2.878 + 3229TIP3 OH215995 -1.456 1.510 -3.723 + 3229TIP3 H115996 -1.478 1.580 -3.658 + 3229TIP3 H215997 -1.385 1.554 -3.775 + 3230TIP3 OH215998 -1.788 2.953 -4.001 + 3230TIP3 H115999 -1.761 3.032 -4.051 + 3230TIP3 H216000 -1.762 2.977 -3.910 + 3231TIP3 OH216001 -1.885 1.617 -4.080 + 3231TIP3 H116002 -1.893 1.688 -4.014 + 3231TIP3 H216003 -1.810 1.566 -4.044 + 3232TIP3 OH216004 -0.856 1.699 -2.810 + 3232TIP3 H116005 -0.951 1.713 -2.829 + 3232TIP3 H216006 -0.827 1.676 -2.899 + 3233TIP3 OH216007 -1.003 2.081 -3.410 + 3233TIP3 H116008 -1.086 2.037 -3.435 + 3233TIP3 H216009 -0.956 2.009 -3.362 + 3234TIP3 OH216010 -2.053 2.704 -4.156 + 3234TIP3 H116011 -1.973 2.737 -4.112 + 3234TIP3 H216012 -2.012 2.654 -4.229 + 3235TIP3 OH216013 -2.227 1.923 -4.253 + 3235TIP3 H116014 -2.213 2.018 -4.238 + 3235TIP3 H216015 -2.316 1.922 -4.292 + 3236TIP3 OH216016 -0.898 2.964 -3.270 + 3236TIP3 H116017 -0.923 3.044 -3.320 + 3236TIP3 H216018 -0.807 2.987 -3.246 + 3237TIP3 OH216019 -2.141 1.419 -3.371 + 3237TIP3 H116020 -2.158 1.416 -3.467 + 3237TIP3 H216021 -2.174 1.332 -3.341 + 3238TIP3 OH216022 -2.253 2.772 -3.747 + 3238TIP3 H116023 -2.328 2.829 -3.725 + 3238TIP3 H216024 -2.209 2.822 -3.817 + 3239TIP3 OH216025 -2.311 3.058 -2.628 + 3239TIP3 H116026 -2.253 3.031 -2.554 + 3239TIP3 H216027 -2.350 2.973 -2.656 + 3240TIP3 OH216028 -1.852 2.969 -2.453 + 3240TIP3 H116029 -1.777 2.915 -2.426 + 3240TIP3 H216030 -1.864 2.940 -2.545 + 3241TIP3 OH216031 -1.418 2.905 -4.339 + 3241TIP3 H116032 -1.499 2.854 -4.319 + 3241TIP3 H216033 -1.355 2.832 -4.352 + 3242TIP3 OH216034 -1.187 2.786 -2.598 + 3242TIP3 H116035 -1.230 2.709 -2.557 + 3242TIP3 H216036 -1.125 2.816 -2.529 + 3243TIP3 OH216037 -1.013 2.851 -4.293 + 3243TIP3 H116038 -0.980 2.789 -4.227 + 3243TIP3 H216039 -0.939 2.914 -4.308 + 3244TIP3 OH216040 -2.318 2.419 -2.514 + 3244TIP3 H116041 -2.305 2.332 -2.554 + 3244TIP3 H216042 -2.392 2.453 -2.568 + 3245TIP3 OH216043 -1.888 2.480 -4.307 + 3245TIP3 H116044 -1.875 2.412 -4.241 + 3245TIP3 H216045 -1.818 2.463 -4.371 + 3246TIP3 OH216046 -1.653 2.439 -2.582 + 3246TIP3 H116047 -1.683 2.476 -2.667 + 3246TIP3 H216048 -1.648 2.343 -2.600 + 3247TIP3 OH216049 -1.359 2.582 -4.348 + 3247TIP3 H116050 -1.347 2.595 -4.252 + 3247TIP3 H216051 -1.296 2.510 -4.366 + 3248TIP3 OH216052 -1.116 2.403 -2.843 + 3248TIP3 H116053 -1.038 2.458 -2.862 + 3248TIP3 H216054 -1.186 2.470 -2.844 + 3249TIP3 OH216055 -2.230 2.133 -2.600 + 3249TIP3 H116056 -2.160 2.066 -2.597 + 3249TIP3 H216057 -2.234 2.158 -2.506 + 3250TIP3 OH216058 -1.788 2.272 -4.091 + 3250TIP3 H116059 -1.849 2.226 -4.031 + 3250TIP3 H216060 -1.752 2.198 -4.144 + 3251TIP3 OH216061 -1.866 2.049 -2.855 + 3251TIP3 H116062 -1.920 2.129 -2.838 + 3251TIP3 H216063 -1.800 2.083 -2.918 + 3252TIP3 OH216064 -1.668 2.082 -4.274 + 3252TIP3 H116065 -1.665 2.058 -4.367 + 3252TIP3 H216066 -1.572 2.080 -4.251 + 3253TIP3 OH216067 -1.334 2.319 -2.499 + 3253TIP3 H116068 -1.244 2.302 -2.531 + 3253TIP3 H216069 -1.357 2.234 -2.460 + 3254TIP3 OH216070 -1.804 1.781 -2.747 + 3254TIP3 H116071 -1.798 1.713 -2.817 + 3254TIP3 H216072 -1.824 1.861 -2.799 + 3255TIP3 OH216073 -1.769 1.620 -2.995 + 3255TIP3 H116074 -1.717 1.670 -3.061 + 3255TIP3 H216075 -1.860 1.622 -3.033 + 3256TIP3 OH216076 -1.615 2.169 -2.955 + 3256TIP3 H116077 -1.532 2.163 -3.005 + 3256TIP3 H216078 -1.648 2.256 -2.986 + 3257TIP3 OH216079 -1.160 1.962 -2.478 + 3257TIP3 H116080 -1.133 1.870 -2.465 + 3257TIP3 H216081 -1.073 2.006 -2.484 + 3258TIP3 OH216082 -1.061 2.241 -2.630 + 3258TIP3 H116083 -1.097 2.303 -2.697 + 3258TIP3 H216084 -0.972 2.227 -2.667 + 3259TIP3 OH216085 -1.975 1.953 -2.553 + 3259TIP3 H116086 -2.034 1.877 -2.562 + 3259TIP3 H216087 -1.902 1.929 -2.612 + 3260TIP3 OH216088 -1.694 1.353 -2.924 + 3260TIP3 H116089 -1.721 1.446 -2.939 + 3260TIP3 H216090 -1.761 1.305 -2.977 + 3261TIP3 OH216091 -1.572 1.809 -2.584 + 3261TIP3 H116092 -1.610 1.783 -2.498 + 3261TIP3 H216093 -1.651 1.796 -2.641 + 3262TIP3 OH216094 -1.323 1.715 -2.699 + 3262TIP3 H116095 -1.408 1.730 -2.654 + 3262TIP3 H216096 -1.273 1.662 -2.633 + 3263TIP3 OH216097 -1.149 1.572 -2.524 + 3263TIP3 H116098 -1.137 1.477 -2.504 + 3263TIP3 H216099 -1.153 1.614 -2.436 + 3264TIP3 OH216100 -2.122 1.710 -2.581 + 3264TIP3 H116101 -2.126 1.638 -2.646 + 3264TIP3 H216102 -2.141 1.662 -2.498 + 3265TIP3 OH216103 -1.706 3.187 -4.179 + 3265TIP3 H116104 -1.617 3.209 -4.147 + 3265TIP3 H216105 -1.727 3.260 -4.239 + 3266TIP3 OH216106 -2.323 2.603 -4.196 + 3266TIP3 H116107 -2.233 2.640 -4.197 + 3266TIP3 H216108 -2.326 2.550 -4.277 + 3267TIP3 OH216109 -2.422 3.155 -3.720 + 3267TIP3 H116110 -2.494 3.118 -3.775 + 3267TIP3 H216111 -2.413 3.088 -3.650 + 3268TIP3 OH216112 -2.386 2.960 -3.519 + 3268TIP3 H116113 -2.412 2.872 -3.488 + 3268TIP3 H216114 -2.346 2.994 -3.438 + 3269TIP3 OH216115 -0.628 3.080 -3.220 + 3269TIP3 H116116 -0.615 3.084 -3.124 + 3269TIP3 H216117 -0.544 3.116 -3.251 + 3270TIP3 OH216118 -0.640 3.029 -2.932 + 3270TIP3 H116119 -0.692 2.955 -2.967 + 3270TIP3 H216120 -0.584 2.982 -2.868 + 3271TIP3 OH216121 -0.840 2.570 -2.501 + 3271TIP3 H116122 -0.929 2.581 -2.465 + 3271TIP3 H216123 -0.796 2.652 -2.473 + 3272TIP3 OH216124 -0.692 2.453 -3.933 + 3272TIP3 H116125 -0.605 2.486 -3.903 + 3272TIP3 H216126 -0.712 2.391 -3.861 + 3273TIP3 OH216127 -0.651 2.254 -3.731 + 3273TIP3 H116128 -0.722 2.201 -3.688 + 3273TIP3 H216129 -0.587 2.268 -3.659 + 3274TIP3 OH216130 -0.679 2.505 -3.232 + 3274TIP3 H116131 -0.616 2.463 -3.292 + 3274TIP3 H216132 -0.674 2.598 -3.261 + 3275TIP3 OH216133 -0.811 2.797 -3.008 + 3275TIP3 H116134 -0.883 2.842 -2.960 + 3275TIP3 H216135 -0.857 2.765 -3.088 + 3276TIP3 OH216136 -0.621 2.228 -4.108 + 3276TIP3 H116137 -0.693 2.241 -4.172 + 3276TIP3 H216138 -0.650 2.289 -4.037 + 3277TIP3 OH216139 -0.801 1.964 -4.214 + 3277TIP3 H116140 -0.777 2.032 -4.279 + 3277TIP3 H216141 -0.771 1.884 -4.259 + 3278TIP3 OH216142 -0.859 2.072 -3.650 + 3278TIP3 H116143 -0.868 1.977 -3.667 + 3278TIP3 H216144 -0.899 2.080 -3.561 + 3279TIP3 OH216145 -2.377 2.290 -3.280 + 3279TIP3 H116146 -2.352 2.299 -3.373 + 3279TIP3 H216147 -2.289 2.272 -3.240 + 3280TIP3 OH216148 -0.801 2.263 -2.737 + 3280TIP3 H116149 -0.726 2.204 -2.717 + 3280TIP3 H216150 -0.757 2.347 -2.755 + 3281TIP3 OH216151 -0.644 2.074 -2.615 + 3281TIP3 H116152 -0.724 2.021 -2.637 + 3281TIP3 H216153 -0.575 2.006 -2.617 + 3282TIP3 OH216154 -0.895 1.655 -4.333 + 3282TIP3 H116155 -0.821 1.605 -4.295 + 3282TIP3 H216156 -0.974 1.609 -4.300 + 3283TIP3 OH216157 -0.881 1.825 -3.836 + 3283TIP3 H116158 -0.856 1.730 -3.829 + 3283TIP3 H216159 -0.799 1.861 -3.873 + 3284TIP3 OH216160 -0.851 1.881 -3.288 + 3284TIP3 H116161 -0.754 1.892 -3.290 + 3284TIP3 H216162 -0.866 1.884 -3.192 + 3285TIP3 OH216163 -0.835 1.952 -3.006 + 3285TIP3 H116164 -0.921 1.991 -2.980 + 3285TIP3 H216165 -0.783 2.032 -3.027 + 3286TIP3 OH216166 -2.385 1.827 -2.640 + 3286TIP3 H116167 -2.291 1.801 -2.636 + 3286TIP3 H216168 -2.430 1.741 -2.633 + 3287TIP3 OH216169 -0.583 1.364 -2.477 + 3287TIP3 H116170 -0.537 1.295 -2.529 + 3287TIP3 H216171 -0.576 1.442 -2.535 + 3288TIP3 OH216172 -0.832 1.549 -3.830 + 3288TIP3 H116173 -0.817 1.510 -3.742 + 3288TIP3 H216174 -0.906 1.494 -3.863 + 3289TIP3 OH216175 -2.309 1.661 -3.358 + 3289TIP3 H116176 -2.261 1.576 -3.352 + 3289TIP3 H216177 -2.240 1.722 -3.325 + 3290TIP3 OH216178 -2.454 1.929 -3.255 + 3290TIP3 H116179 -2.396 1.925 -3.333 + 3290TIP3 H216180 -2.417 2.006 -3.210 + 3291TIP3 OH216181 -0.640 1.572 -2.652 + 3291TIP3 H116182 -0.728 1.613 -2.649 + 3291TIP3 H216183 -0.651 1.516 -2.731 + 3292TIP3 OH216184 -0.617 1.577 -4.158 + 3292TIP3 H116185 -0.613 1.532 -4.246 + 3292TIP3 H216186 -0.540 1.635 -4.171 + 3293TIP3 OH216187 -2.403 1.564 -3.852 + 3293TIP3 H116188 -2.499 1.566 -3.871 + 3293TIP3 H216189 -2.366 1.624 -3.920 + 3294TIP3 OH216190 -0.944 3.083 -3.645 + 3294TIP3 H116191 -0.888 3.057 -3.720 + 3294TIP3 H216192 -0.880 3.126 -3.586 + 3295TIP3 OH216193 -2.399 1.454 -3.031 + 3295TIP3 H116194 -2.471 1.421 -2.975 + 3295TIP3 H216195 -2.449 1.503 -3.099 + 3296TIP3 OH216196 -2.202 2.748 -2.565 + 3296TIP3 H116197 -2.273 2.758 -2.630 + 3296TIP3 H216198 -2.248 2.766 -2.481 + 3297TIP3 OH216199 -1.918 2.860 -2.999 + 3297TIP3 H116200 -1.947 2.945 -3.036 + 3297TIP3 H216201 -1.822 2.868 -3.017 + 3298TIP3 OH216202 -1.464 2.987 -2.706 + 3298TIP3 H116203 -1.455 2.976 -2.610 + 3298TIP3 H216204 -1.382 3.036 -2.728 + 3299TIP3 OH216205 -1.235 3.138 -2.775 + 3299TIP3 H116206 -1.168 3.071 -2.796 + 3299TIP3 H216207 -1.206 3.167 -2.686 + 3300TIP3 OH216208 -0.756 1.393 -2.853 + 3300TIP3 H116209 -0.834 1.413 -2.908 + 3300TIP3 H216210 -0.731 1.304 -2.887 + 3301TIP3 OH216211 -2.183 3.151 -2.965 + 3301TIP3 H116212 -2.239 3.217 -3.011 + 3301TIP3 H216213 -2.213 3.162 -2.874 + 3302TIP3 OH216214 -1.931 3.130 -3.110 + 3302TIP3 H116215 -2.016 3.153 -3.067 + 3302TIP3 H216216 -1.924 3.198 -3.179 + 3303TIP3 OH216217 -1.458 3.128 -3.152 + 3303TIP3 H116218 -1.496 3.170 -3.232 + 3303TIP3 H216219 -1.449 3.206 -3.094 + 3304TIP3 OH216220 -1.224 3.002 -3.061 + 3304TIP3 H116221 -1.308 3.037 -3.096 + 3304TIP3 H216222 -1.168 3.081 -3.067 + 3305TIP3 OH216223 -0.966 3.175 -3.044 + 3305TIP3 H116224 -0.974 3.270 -3.064 + 3305TIP3 H216225 -0.942 3.141 -3.132 + 3306TIP3 OH216226 -2.225 3.033 -3.272 + 3306TIP3 H116227 -2.224 2.986 -3.186 + 3306TIP3 H216228 -2.147 2.992 -3.316 + 3307TIP3 OH216229 -2.021 2.912 -3.422 + 3307TIP3 H116230 -2.032 2.818 -3.400 + 3307TIP3 H216231 -1.928 2.928 -3.395 + 3308TIP3 OH216232 -1.753 2.957 -3.336 + 3308TIP3 H116233 -1.719 2.873 -3.370 + 3308TIP3 H216234 -1.737 2.948 -3.241 + 3309TIP3 OH216235 -1.410 1.543 -3.407 + 3309TIP3 H116236 -1.481 1.476 -3.395 + 3309TIP3 H216237 -1.351 1.499 -3.470 + 3310TIP3 OH216238 -0.916 1.350 -3.361 + 3310TIP3 H116239 -0.840 1.391 -3.405 + 3310TIP3 H216240 -0.990 1.376 -3.419 + 3311TIP3 OH216241 -0.709 1.457 -3.575 + 3311TIP3 H116242 -0.638 1.413 -3.626 + 3311TIP3 H216243 -0.676 1.549 -3.569 + 3312TIP3 OH216244 -2.175 1.416 -3.652 + 3312TIP3 H116245 -2.261 1.404 -3.697 + 3312TIP3 H216246 -2.134 1.329 -3.668 + 3313TIP3 OH216247 -2.298 1.372 -4.080 + 3313TIP3 H116248 -2.238 1.434 -4.127 + 3313TIP3 H216249 -2.330 1.427 -4.008 + 3314TIP3 OH216250 -1.729 1.398 -3.666 + 3314TIP3 H116251 -1.638 1.429 -3.680 + 3314TIP3 H216252 -1.732 1.390 -3.570 + 3315TIP3 OH216253 -1.167 1.403 -3.524 + 3315TIP3 H116254 -1.144 1.389 -3.616 + 3315TIP3 H216255 -1.207 1.317 -3.500 + 3316TIP3 OH216256 -1.064 1.400 -3.921 + 3316TIP3 H116257 -1.144 1.446 -3.952 + 3316TIP3 H216258 -1.097 1.308 -3.915 + 3317TIP3 OH216259 -2.290 2.961 -3.966 + 3317TIP3 H116260 -2.362 2.961 -4.032 + 3317TIP3 H216261 -2.287 3.054 -3.941 + 3318TIP3 OH216262 -2.128 1.541 -4.228 + 3318TIP3 H116263 -2.072 1.484 -4.282 + 3318TIP3 H216264 -2.062 1.593 -4.179 + 3319TIP3 OH216265 -1.618 1.561 -3.959 + 3319TIP3 H116266 -1.578 1.508 -3.889 + 3319TIP3 H216267 -1.594 1.650 -3.928 + 3320TIP3 OH216268 -1.412 3.133 -4.140 + 3320TIP3 H116269 -1.315 3.143 -4.143 + 3320TIP3 H216270 -1.426 3.065 -4.208 + 3321TIP3 OH216271 -0.747 3.043 -3.886 + 3321TIP3 H116272 -0.782 2.962 -3.928 + 3321TIP3 H216273 -0.774 3.112 -3.950 + 3322TIP3 OH216274 -2.197 1.439 -2.700 + 3322TIP3 H116275 -2.237 1.357 -2.665 + 3322TIP3 H216276 -2.104 1.426 -2.675 + 3323TIP3 OH216277 -1.958 1.373 -2.530 + 3323TIP3 H116278 -1.879 1.328 -2.562 + 3323TIP3 H216279 -2.003 1.301 -2.484 + 3324TIP3 OH216280 -2.091 3.066 -4.232 + 3324TIP3 H116281 -2.127 3.095 -4.147 + 3324TIP3 H216282 -2.020 3.006 -4.206 + 3325TIP3 OH216283 -1.156 1.289 -2.505 + 3325TIP3 H116284 -1.140 1.248 -2.417 + 3325TIP3 H216285 -1.065 1.287 -2.541 + 3326TIP3 OH216286 -0.808 2.922 -2.641 + 3326TIP3 H116287 -0.882 2.904 -2.702 + 3326TIP3 H216288 -0.826 3.016 -2.620 + 3327TIP3 OH216289 0.609 2.289 -3.626 + 3327TIP3 H116290 0.610 2.385 -3.615 + 3327TIP3 H216291 0.536 2.278 -3.688 + 3328TIP3 OH216292 0.497 2.231 -3.317 + 3328TIP3 H116293 0.494 2.175 -3.239 + 3328TIP3 H216294 0.472 2.169 -3.387 + 3329TIP3 OH216295 -0.185 2.179 -3.156 + 3329TIP3 H116296 -0.234 2.114 -3.100 + 3329TIP3 H216297 -0.189 2.257 -3.098 + 3330TIP3 OH216298 0.864 2.508 -3.488 + 3330TIP3 H116299 0.827 2.437 -3.433 + 3330TIP3 H216300 0.893 2.571 -3.421 + 3331TIP3 OH216301 -0.188 2.656 -3.302 + 3331TIP3 H116302 -0.209 2.563 -3.326 + 3331TIP3 H216303 -0.094 2.647 -3.279 + 3332TIP3 OH216304 -0.491 2.003 -3.762 + 3332TIP3 H116305 -0.540 2.086 -3.754 + 3332TIP3 H216306 -0.556 1.945 -3.804 + 3333TIP3 OH216307 -0.405 2.243 -3.569 + 3333TIP3 H116308 -0.394 2.155 -3.528 + 3333TIP3 H216309 -0.325 2.248 -3.624 + 3334TIP3 OH216310 0.568 3.043 -3.433 + 3334TIP3 H116311 0.629 2.973 -3.464 + 3334TIP3 H216312 0.543 3.010 -3.345 + 3335TIP3 OH216313 0.344 2.482 -3.262 + 3335TIP3 H116314 0.380 2.413 -3.320 + 3335TIP3 H216315 0.425 2.502 -3.212 + 3336TIP3 OH216316 1.212 1.637 -3.198 + 3336TIP3 H116317 1.238 1.699 -3.128 + 3336TIP3 H216318 1.273 1.664 -3.269 + 3337TIP3 OH216319 0.674 1.918 -3.212 + 3337TIP3 H116320 0.692 1.823 -3.208 + 3337TIP3 H216321 0.668 1.931 -3.308 + 3338TIP3 OH216322 -0.034 1.725 -3.500 + 3338TIP3 H116323 -0.016 1.806 -3.553 + 3338TIP3 H216324 -0.068 1.667 -3.571 + 3339TIP3 OH216325 0.755 1.736 -3.674 + 3339TIP3 H116326 0.813 1.693 -3.607 + 3339TIP3 H216327 0.822 1.779 -3.730 + 3340TIP3 OH216328 -0.350 1.992 -3.453 + 3340TIP3 H116329 -0.296 1.937 -3.395 + 3340TIP3 H216330 -0.346 1.942 -3.536 + 3341TIP3 OH216331 0.145 2.118 -3.461 + 3341TIP3 H116332 0.231 2.076 -3.440 + 3341TIP3 H216333 0.113 2.062 -3.534 + 3342TIP3 OH216334 1.284 1.775 -2.951 + 3342TIP3 H116335 1.225 1.848 -2.979 + 3342TIP3 H216336 1.266 1.773 -2.856 + 3343TIP3 OH216337 -0.152 1.593 -3.092 + 3343TIP3 H116338 -0.183 1.658 -3.157 + 3343TIP3 H216339 -0.215 1.607 -3.019 + 3344TIP3 OH216340 0.600 2.574 -3.750 + 3344TIP3 H116341 0.570 2.554 -3.839 + 3344TIP3 H216342 0.557 2.659 -3.731 + 3345TIP3 OH216343 0.111 2.360 -3.112 + 3345TIP3 H116344 0.052 2.429 -3.075 + 3345TIP3 H216345 0.184 2.413 -3.148 + 3346TIP3 OH216346 0.937 1.662 -3.469 + 3346TIP3 H116347 0.904 1.598 -3.405 + 3346TIP3 H216348 0.990 1.721 -3.412 + 3347TIP3 OH216349 -0.155 1.818 -3.274 + 3347TIP3 H116350 -0.097 1.894 -3.263 + 3347TIP3 H216351 -0.113 1.774 -3.352 + 3348TIP3 OH216352 -0.052 2.568 -3.006 + 3348TIP3 H116353 -0.053 2.661 -3.034 + 3348TIP3 H216354 -0.138 2.564 -2.959 + 3349TIP3 OH216355 -0.423 2.560 -3.932 + 3349TIP3 H116356 -0.479 2.622 -3.979 + 3349TIP3 H216357 -0.397 2.616 -3.855 + 3350TIP3 OH216358 0.920 2.689 -3.239 + 3350TIP3 H116359 0.823 2.702 -3.237 + 3350TIP3 H216360 0.948 2.775 -3.275 + 3351TIP3 OH216361 0.954 1.574 -3.086 + 3351TIP3 H116362 0.875 1.613 -3.129 + 3351TIP3 H216363 1.025 1.595 -3.150 + 3352TIP3 OH216364 0.266 1.348 -3.381 + 3352TIP3 H116365 0.244 1.253 -3.386 + 3352TIP3 H216366 0.183 1.386 -3.343 + 3353TIP3 OH216367 0.750 2.883 -3.583 + 3353TIP3 H116368 0.799 2.805 -3.614 + 3353TIP3 H216369 0.818 2.953 -3.592 + 3354TIP3 OH216370 0.896 2.670 -3.721 + 3354TIP3 H116371 0.844 2.623 -3.788 + 3354TIP3 H216372 0.891 2.607 -3.646 + 3355TIP3 OH216373 1.049 2.553 -2.871 + 3355TIP3 H116374 1.040 2.487 -2.942 + 3355TIP3 H216375 1.062 2.635 -2.921 + 3356TIP3 OH216376 0.478 2.242 -3.905 + 3356TIP3 H116377 0.412 2.303 -3.943 + 3356TIP3 H216378 0.551 2.250 -3.968 + 3357TIP3 OH216379 0.496 2.064 -4.205 + 3357TIP3 H116380 0.566 2.096 -4.145 + 3357TIP3 H216381 0.550 2.003 -4.261 + 3358TIP3 OH216382 1.226 2.168 -3.077 + 3358TIP3 H116383 1.154 2.233 -3.067 + 3358TIP3 H216384 1.273 2.204 -3.155 + 3359TIP3 OH216385 0.827 2.242 -3.794 + 3359TIP3 H116386 0.759 2.263 -3.726 + 3359TIP3 H216387 0.887 2.185 -3.742 + 3360TIP3 OH216388 0.810 2.098 -2.907 + 3360TIP3 H116389 0.818 2.180 -2.856 + 3360TIP3 H216390 0.745 2.127 -2.973 + 3361TIP3 OH216391 -0.016 2.319 -3.617 + 3361TIP3 H116392 -0.043 2.273 -3.699 + 3361TIP3 H216393 0.044 2.256 -3.576 + 3362TIP3 OH216394 0.122 2.659 -3.341 + 3362TIP3 H116395 0.115 2.620 -3.429 + 3362TIP3 H216396 0.201 2.615 -3.306 + 3363TIP3 OH216397 0.640 2.752 -3.209 + 3363TIP3 H116398 0.642 2.820 -3.139 + 3363TIP3 H216399 0.618 2.670 -3.161 + 3364TIP3 OH216400 0.129 2.636 -2.784 + 3364TIP3 H116401 0.077 2.702 -2.736 + 3364TIP3 H216402 0.065 2.608 -2.853 + 3365TIP3 OH216403 0.734 2.189 -4.057 + 3365TIP3 H116404 0.777 2.214 -3.972 + 3365TIP3 H216405 0.795 2.231 -4.121 + 3366TIP3 OH216406 -0.194 2.291 -2.891 + 3366TIP3 H116407 -0.171 2.329 -2.805 + 3366TIP3 H216408 -0.284 2.257 -2.874 + 3367TIP3 OH216409 0.466 2.847 -3.694 + 3367TIP3 H116410 0.518 2.874 -3.618 + 3367TIP3 H216411 0.421 2.929 -3.720 + 3368TIP3 OH216412 -0.060 2.851 -2.702 + 3368TIP3 H116413 -0.072 2.855 -2.799 + 3368TIP3 H216414 -0.148 2.824 -2.670 + 3369TIP3 OH216415 1.061 1.345 -4.057 + 3369TIP3 H116416 0.973 1.373 -4.024 + 3369TIP3 H216417 1.087 1.420 -4.113 + 3370TIP3 OH216418 -0.122 2.192 -3.859 + 3370TIP3 H116419 -0.142 2.266 -3.919 + 3370TIP3 H216420 -0.185 2.125 -3.885 + 3371TIP3 OH216421 1.180 2.786 -4.249 + 3371TIP3 H116422 1.212 2.867 -4.207 + 3371TIP3 H216423 1.256 2.725 -4.242 + 3372TIP3 OH216424 -0.513 2.461 -2.991 + 3372TIP3 H116425 -0.563 2.461 -3.075 + 3372TIP3 H216426 -0.505 2.366 -2.971 + 3373TIP3 OH216427 -0.508 2.753 -3.298 + 3373TIP3 H116428 -0.415 2.727 -3.288 + 3373TIP3 H216429 -0.519 2.815 -3.224 + 3374TIP3 OH216430 1.329 2.815 -2.720 + 3374TIP3 H116431 1.318 2.719 -2.737 + 3374TIP3 H216432 1.238 2.838 -2.690 + 3375TIP3 OH216433 0.395 2.737 -2.839 + 3375TIP3 H116434 0.401 2.820 -2.787 + 3375TIP3 H216435 0.304 2.708 -2.818 + 3376TIP3 OH216436 0.425 3.116 -3.848 + 3376TIP3 H116437 0.426 3.130 -3.944 + 3376TIP3 H216438 0.427 3.207 -3.813 + 3377TIP3 OH216439 -0.198 3.026 -3.684 + 3377TIP3 H116440 -0.180 2.987 -3.596 + 3377TIP3 H216441 -0.290 2.999 -3.697 + 3378TIP3 OH216442 0.748 3.078 -4.140 + 3378TIP3 H116443 0.793 3.020 -4.204 + 3378TIP3 H216444 0.752 3.024 -4.059 + 3379TIP3 OH216445 0.696 3.004 -3.863 + 3379TIP3 H116446 0.603 3.024 -3.841 + 3379TIP3 H216447 0.718 2.939 -3.795 + 3380TIP3 OH216448 1.013 1.950 -2.681 + 3380TIP3 H116449 0.953 1.990 -2.745 + 3380TIP3 H216450 1.013 1.856 -2.707 + 3381TIP3 OH216451 -0.292 2.616 -2.867 + 3381TIP3 H116452 -0.266 2.569 -2.785 + 3381TIP3 H216453 -0.366 2.561 -2.899 + 3382TIP3 OH216454 0.024 1.466 -3.291 + 3382TIP3 H116455 -0.058 1.456 -3.342 + 3382TIP3 H216456 -0.004 1.533 -3.226 + 3383TIP3 OH216457 0.488 1.389 -2.900 + 3383TIP3 H116458 0.494 1.332 -2.822 + 3383TIP3 H216459 0.391 1.395 -2.910 + 3384TIP3 OH216460 0.775 1.799 -2.865 + 3384TIP3 H116461 0.713 1.783 -2.791 + 3384TIP3 H216462 0.766 1.894 -2.882 + 3385TIP3 OH216463 0.959 2.268 -4.251 + 3385TIP3 H116464 0.910 2.252 -4.333 + 3385TIP3 H216465 0.989 2.358 -4.267 + 3386TIP3 OH216466 0.444 1.658 -4.215 + 3386TIP3 H116467 0.387 1.662 -4.137 + 3386TIP3 H216468 0.398 1.592 -4.268 + 3387TIP3 OH216469 0.007 1.953 -3.659 + 3387TIP3 H116470 -0.088 1.943 -3.678 + 3387TIP3 H216471 0.045 1.932 -3.747 + 3388TIP3 OH216472 0.571 2.004 -3.786 + 3388TIP3 H116473 0.531 2.086 -3.820 + 3388TIP3 H216474 0.636 1.984 -3.856 + 3389TIP3 OH216475 0.649 1.944 -3.505 + 3389TIP3 H116476 0.622 2.002 -3.579 + 3389TIP3 H216477 0.672 1.863 -3.556 + 3390TIP3 OH216478 -0.268 1.962 -2.973 + 3390TIP3 H116479 -0.212 1.985 -2.898 + 3390TIP3 H216480 -0.288 1.869 -2.954 + 3391TIP3 OH216481 0.120 1.703 -4.311 + 3391TIP3 H116482 0.079 1.671 -4.229 + 3391TIP3 H216483 0.043 1.745 -4.355 + 3392TIP3 OH216484 -0.568 1.709 -3.596 + 3392TIP3 H116485 -0.502 1.700 -3.526 + 3392TIP3 H216486 -0.526 1.668 -3.674 + 3393TIP3 OH216487 -0.404 1.755 -4.027 + 3393TIP3 H116488 -0.356 1.792 -4.103 + 3393TIP3 H216489 -0.482 1.812 -4.020 + 3394TIP3 OH216490 0.547 2.102 -3.050 + 3394TIP3 H116491 0.599 2.036 -3.102 + 3394TIP3 H216492 0.531 2.054 -2.968 + 3395TIP3 OH216493 0.277 1.706 -3.559 + 3395TIP3 H116494 0.183 1.699 -3.536 + 3395TIP3 H216495 0.320 1.688 -3.474 + 3396TIP3 OH216496 -0.261 1.833 -3.691 + 3396TIP3 H116497 -0.343 1.856 -3.737 + 3396TIP3 H216498 -0.231 1.753 -3.739 + 3397TIP3 OH216499 0.099 1.877 -3.918 + 3397TIP3 H116500 0.196 1.873 -3.917 + 3397TIP3 H216501 0.078 1.927 -3.999 + 3398TIP3 OH216502 0.714 1.625 -3.245 + 3398TIP3 H116503 0.647 1.627 -3.173 + 3398TIP3 H216504 0.659 1.589 -3.317 + 3399TIP3 OH216505 -0.046 1.990 -4.161 + 3399TIP3 H116506 -0.105 1.934 -4.214 + 3399TIP3 H216507 0.031 2.000 -4.219 + 3400TIP3 OH216508 1.018 3.204 -2.589 + 3400TIP3 H116509 1.043 3.245 -2.673 + 3400TIP3 H216510 1.092 3.231 -2.531 + 3401TIP3 OH216511 -0.188 2.462 -2.646 + 3401TIP3 H116512 -0.121 2.470 -2.576 + 3401TIP3 H216513 -0.269 2.461 -2.591 + 3402TIP3 OH216514 0.378 1.964 -3.380 + 3402TIP3 H116515 0.455 1.920 -3.419 + 3402TIP3 H216516 0.363 1.912 -3.298 + 3403TIP3 OH216517 -0.083 1.605 -3.757 + 3403TIP3 H116518 -0.142 1.528 -3.749 + 3403TIP3 H216519 -0.004 1.565 -3.796 + 3404TIP3 OH216520 0.254 1.857 -3.125 + 3404TIP3 H116521 0.171 1.857 -3.078 + 3404TIP3 H216522 0.316 1.850 -3.050 + 3405TIP3 OH216523 0.293 2.450 -3.964 + 3405TIP3 H116524 0.216 2.399 -3.997 + 3405TIP3 H216525 0.274 2.455 -3.867 + 3406TIP3 OH216526 1.016 2.363 -3.087 + 3406TIP3 H116527 1.066 2.418 -3.152 + 3406TIP3 H216528 0.930 2.353 -3.133 + 3407TIP3 OH216529 0.710 1.722 -4.181 + 3407TIP3 H116530 0.612 1.722 -4.187 + 3407TIP3 H216531 0.730 1.801 -4.126 + 3408TIP3 OH216532 0.446 2.444 -2.834 + 3408TIP3 H116533 0.432 2.411 -2.744 + 3408TIP3 H216534 0.428 2.539 -2.826 + 3409TIP3 OH216535 0.770 1.910 -3.987 + 3409TIP3 H116536 0.857 1.892 -3.946 + 3409TIP3 H216537 0.785 1.996 -4.030 + 3410TIP3 OH216538 -0.180 2.380 -3.374 + 3410TIP3 H116539 -0.128 2.373 -3.455 + 3410TIP3 H216540 -0.174 2.290 -3.337 + 3411TIP3 OH216541 0.538 2.581 -4.068 + 3411TIP3 H116542 0.509 2.670 -4.039 + 3411TIP3 H216543 0.460 2.529 -4.043 + 3412TIP3 OH216544 -0.467 2.211 -2.852 + 3412TIP3 H116545 -0.450 2.167 -2.766 + 3412TIP3 H216546 -0.529 2.151 -2.895 + 3413TIP3 OH216547 0.231 2.175 -2.664 + 3413TIP3 H116548 0.202 2.113 -2.731 + 3413TIP3 H216549 0.316 2.135 -2.643 + 3414TIP3 OH216550 0.683 2.705 -2.881 + 3414TIP3 H116551 0.587 2.717 -2.887 + 3414TIP3 H216552 0.701 2.732 -2.790 + 3415TIP3 OH216553 1.241 1.920 -3.998 + 3415TIP3 H116554 1.181 1.898 -4.071 + 3415TIP3 H216555 1.253 2.015 -4.018 + 3416TIP3 OH216556 1.282 2.518 -2.724 + 3416TIP3 H116557 1.188 2.539 -2.743 + 3416TIP3 H216558 1.315 2.499 -2.814 + 3417TIP3 OH216559 1.064 2.774 -3.992 + 3417TIP3 H116560 1.036 2.698 -3.940 + 3417TIP3 H216561 1.097 2.734 -4.073 + 3418TIP3 OH216562 0.781 2.306 -3.256 + 3418TIP3 H116563 0.688 2.291 -3.281 + 3418TIP3 H216564 0.826 2.235 -3.306 + 3419TIP3 OH216565 0.044 2.714 -3.654 + 3419TIP3 H116566 0.089 2.799 -3.664 + 3419TIP3 H216567 -0.047 2.738 -3.675 + 3420TIP3 OH216568 -0.356 2.236 -4.209 + 3420TIP3 H116569 -0.291 2.267 -4.142 + 3420TIP3 H216570 -0.438 2.223 -4.157 + 3421TIP3 OH216571 0.228 2.482 -3.692 + 3421TIP3 H116572 0.204 2.575 -3.677 + 3421TIP3 H216573 0.154 2.437 -3.649 + 3422TIP3 OH216574 0.245 2.910 -3.055 + 3422TIP3 H116575 0.300 2.985 -3.083 + 3422TIP3 H216576 0.307 2.861 -2.999 + 3423TIP3 OH216577 0.090 3.004 -3.733 + 3423TIP3 H116578 -0.005 3.020 -3.724 + 3423TIP3 H216579 0.126 3.091 -3.707 + 3424TIP3 OH216580 0.586 2.484 -3.099 + 3424TIP3 H116581 0.558 2.458 -3.009 + 3424TIP3 H216582 0.662 2.425 -3.114 + 3425TIP3 OH216583 0.801 2.609 -4.194 + 3425TIP3 H116584 0.850 2.566 -4.121 + 3425TIP3 H216585 0.711 2.603 -4.158 + 3426TIP3 OH216586 0.879 2.943 -2.859 + 3426TIP3 H116587 0.804 2.897 -2.901 + 3426TIP3 H216588 0.890 3.021 -2.915 + 3427TIP3 OH216589 1.292 3.060 -4.160 + 3427TIP3 H116590 1.361 3.128 -4.144 + 3427TIP3 H216591 1.211 3.110 -4.134 + 3428TIP3 OH216592 -0.335 1.679 -2.892 + 3428TIP3 H116593 -0.426 1.705 -2.917 + 3428TIP3 H216594 -0.349 1.593 -2.850 + 3429TIP3 OH216595 0.900 2.473 -3.968 + 3429TIP3 H116596 0.874 2.403 -3.906 + 3429TIP3 H216597 0.997 2.471 -3.960 + 3430TIP3 OH216598 -0.358 2.853 -3.051 + 3430TIP3 H116599 -0.328 2.763 -3.031 + 3430TIP3 H216600 -0.338 2.898 -2.967 + 3431TIP3 OH216601 0.249 2.716 -4.325 + 3431TIP3 H116602 0.289 2.633 -4.356 + 3431TIP3 H216603 0.194 2.684 -4.251 + 3432TIP3 OH216604 0.089 2.668 -4.068 + 3432TIP3 H116605 0.151 2.617 -4.014 + 3432TIP3 H216606 0.116 2.761 -4.050 + 3433TIP3 OH216607 -0.210 2.412 -4.038 + 3433TIP3 H116608 -0.275 2.461 -3.984 + 3433TIP3 H216609 -0.152 2.486 -4.066 + 3434TIP3 OH216610 0.544 1.670 -3.036 + 3434TIP3 H116611 0.589 1.717 -2.965 + 3434TIP3 H216612 0.497 1.601 -2.987 + 3435TIP3 OH216613 0.621 1.618 -3.920 + 3435TIP3 H116614 0.651 1.667 -3.999 + 3435TIP3 H216615 0.673 1.659 -3.850 + 3436TIP3 OH216616 0.401 2.830 -4.030 + 3436TIP3 H116617 0.326 2.883 -4.000 + 3436TIP3 H216618 0.456 2.897 -4.072 + 3437TIP3 OH216619 0.364 1.809 -3.815 + 3437TIP3 H116620 0.444 1.865 -3.801 + 3437TIP3 H216621 0.336 1.791 -3.724 + 3438TIP3 OH216622 0.430 1.510 -3.724 + 3438TIP3 H116623 0.408 1.579 -3.658 + 3438TIP3 H216624 0.500 1.554 -3.776 + 3439TIP3 OH216625 0.116 2.951 -4.027 + 3439TIP3 H116626 0.128 3.036 -4.074 + 3439TIP3 H216627 0.109 2.979 -3.934 + 3440TIP3 OH216628 0.000 1.619 -4.080 + 3440TIP3 H116629 -0.006 1.687 -4.011 + 3440TIP3 H216630 0.074 1.564 -4.046 + 3441TIP3 OH216631 1.026 1.692 -2.816 + 3441TIP3 H116632 0.932 1.712 -2.828 + 3441TIP3 H216633 1.052 1.681 -2.908 + 3442TIP3 OH216634 0.882 2.082 -3.408 + 3442TIP3 H116635 0.800 2.036 -3.436 + 3442TIP3 H216636 0.930 2.010 -3.361 + 3443TIP3 OH216637 -0.195 2.681 -4.160 + 3443TIP3 H116638 -0.125 2.728 -4.112 + 3443TIP3 H216639 -0.143 2.647 -4.235 + 3444TIP3 OH216640 -0.330 1.928 -4.265 + 3444TIP3 H116641 -0.329 2.021 -4.239 + 3444TIP3 H216642 -0.422 1.914 -4.294 + 3445TIP3 OH216643 0.984 2.967 -3.269 + 3445TIP3 H116644 0.966 3.048 -3.321 + 3445TIP3 H216645 1.077 2.982 -3.245 + 3446TIP3 OH216646 -0.257 1.420 -3.371 + 3446TIP3 H116647 -0.274 1.417 -3.467 + 3446TIP3 H216648 -0.290 1.334 -3.340 + 3447TIP3 OH216649 -0.375 2.761 -3.751 + 3447TIP3 H116650 -0.444 2.820 -3.717 + 3447TIP3 H216651 -0.324 2.820 -3.808 + 3448TIP3 OH216652 -0.424 3.058 -2.630 + 3448TIP3 H116653 -0.368 3.031 -2.554 + 3448TIP3 H216654 -0.465 2.973 -2.656 + 3449TIP3 OH216655 0.041 2.958 -2.442 + 3449TIP3 H116656 0.115 2.896 -2.432 + 3449TIP3 H216657 0.018 2.942 -2.535 + 3450TIP3 OH216658 0.465 2.901 -4.334 + 3450TIP3 H116659 0.386 2.844 -4.324 + 3450TIP3 H216660 0.532 2.833 -4.352 + 3451TIP3 OH216661 0.689 2.793 -2.590 + 3451TIP3 H116662 0.653 2.709 -2.554 + 3451TIP3 H216663 0.761 2.812 -2.527 + 3452TIP3 OH216664 0.851 2.869 -4.291 + 3452TIP3 H116665 0.880 2.790 -4.241 + 3452TIP3 H216666 0.935 2.913 -4.316 + 3453TIP3 OH216667 -0.431 2.421 -2.515 + 3453TIP3 H116668 -0.420 2.331 -2.550 + 3453TIP3 H216669 -0.507 2.453 -2.568 + 3454TIP3 OH216670 -0.006 2.481 -4.303 + 3454TIP3 H116671 0.011 2.407 -4.243 + 3454TIP3 H216672 0.057 2.465 -4.375 + 3455TIP3 OH216673 0.236 2.453 -2.578 + 3455TIP3 H116674 0.205 2.481 -2.666 + 3455TIP3 H216675 0.251 2.358 -2.590 + 3456TIP3 OH216676 0.526 2.582 -4.347 + 3456TIP3 H116677 0.543 2.593 -4.252 + 3456TIP3 H216678 0.591 2.514 -4.372 + 3457TIP3 OH216679 0.769 2.402 -2.845 + 3457TIP3 H116680 0.850 2.453 -2.861 + 3457TIP3 H216681 0.702 2.472 -2.844 + 3458TIP3 OH216682 -0.339 2.133 -2.602 + 3458TIP3 H116683 -0.273 2.063 -2.602 + 3458TIP3 H216684 -0.343 2.155 -2.507 + 3459TIP3 OH216685 0.097 2.272 -4.089 + 3459TIP3 H116686 0.041 2.220 -4.030 + 3459TIP3 H216687 0.135 2.202 -4.146 + 3460TIP3 OH216688 0.014 2.068 -2.909 + 3460TIP3 H116689 -0.019 2.092 -2.821 + 3460TIP3 H216690 0.111 2.069 -2.895 + 3461TIP3 OH216691 0.218 2.088 -4.277 + 3461TIP3 H116692 0.222 2.055 -4.368 + 3461TIP3 H216693 0.313 2.082 -4.252 + 3462TIP3 OH216694 0.534 2.295 -2.521 + 3462TIP3 H116695 0.629 2.285 -2.539 + 3462TIP3 H216696 0.523 2.228 -2.451 + 3463TIP3 OH216697 0.096 1.612 -2.982 + 3463TIP3 H116698 0.153 1.680 -3.019 + 3463TIP3 H216699 0.009 1.624 -3.023 + 3464TIP3 OH216700 0.262 2.158 -2.991 + 3464TIP3 H116701 0.358 2.149 -3.003 + 3464TIP3 H216702 0.253 2.254 -2.980 + 3465TIP3 OH216703 0.717 1.969 -2.483 + 3465TIP3 H116704 0.732 1.874 -2.474 + 3465TIP3 H216705 0.805 2.006 -2.475 + 3466TIP3 OH216706 0.830 2.249 -2.622 + 3466TIP3 H116707 0.795 2.307 -2.691 + 3466TIP3 H216708 0.917 2.227 -2.660 + 3467TIP3 OH216709 -0.076 1.949 -2.599 + 3467TIP3 H116710 -0.130 1.870 -2.584 + 3467TIP3 H216711 0.009 1.911 -2.626 + 3468TIP3 OH216712 0.203 1.371 -2.964 + 3468TIP3 H116713 0.169 1.464 -2.963 + 3468TIP3 H216714 0.131 1.328 -3.013 + 3469TIP3 OH216715 0.585 1.709 -2.668 + 3469TIP3 H116716 0.495 1.746 -2.676 + 3469TIP3 H216717 0.573 1.645 -2.597 + 3470TIP3 OH216718 0.758 1.470 -2.506 + 3470TIP3 H116719 0.713 1.434 -2.429 + 3470TIP3 H216720 0.752 1.565 -2.486 + 3471TIP3 OH216721 -0.228 1.706 -2.580 + 3471TIP3 H116722 -0.241 1.634 -2.645 + 3471TIP3 H216723 -0.252 1.661 -2.497 + 3472TIP3 OH216724 0.168 1.303 -2.681 + 3472TIP3 H116725 0.235 1.233 -2.675 + 3472TIP3 H216726 0.172 1.324 -2.776 + 3473TIP3 OH216727 0.266 1.488 -2.495 + 3473TIP3 H116728 0.229 1.434 -2.568 + 3473TIP3 H216729 0.216 1.570 -2.502 + 3474TIP3 OH216730 0.178 3.193 -4.175 + 3474TIP3 H116731 0.272 3.213 -4.159 + 3474TIP3 H216732 0.153 3.259 -4.241 + 3475TIP3 OH216733 -0.530 3.151 -3.724 + 3475TIP3 H116734 -0.606 3.120 -3.776 + 3475TIP3 H216735 -0.530 3.087 -3.649 + 3476TIP3 OH216736 -0.495 2.954 -3.522 + 3476TIP3 H116737 -0.529 2.870 -3.486 + 3476TIP3 H216738 -0.465 2.994 -3.439 + 3477TIP3 OH216739 1.256 3.082 -3.219 + 3477TIP3 H116740 1.272 3.083 -3.123 + 3477TIP3 H216741 1.340 3.115 -3.253 + 3478TIP3 OH216742 1.245 3.029 -2.931 + 3478TIP3 H116743 1.194 2.955 -2.968 + 3478TIP3 H216744 1.301 2.982 -2.867 + 3479TIP3 OH216745 1.043 2.575 -2.506 + 3479TIP3 H116746 0.958 2.579 -2.459 + 3479TIP3 H216747 1.091 2.652 -2.470 + 3480TIP3 OH216748 1.185 2.456 -3.930 + 3480TIP3 H116749 1.275 2.491 -3.916 + 3480TIP3 H216750 1.181 2.392 -3.856 + 3481TIP3 OH216751 1.231 2.256 -3.732 + 3481TIP3 H116752 1.164 2.200 -3.688 + 3481TIP3 H216753 1.299 2.269 -3.663 + 3482TIP3 OH216754 1.204 2.508 -3.234 + 3482TIP3 H116755 1.266 2.459 -3.290 + 3482TIP3 H216756 1.217 2.599 -3.264 + 3483TIP3 OH216757 1.076 2.800 -3.010 + 3483TIP3 H116758 1.002 2.840 -2.960 + 3483TIP3 H216759 1.030 2.764 -3.088 + 3484TIP3 OH216760 1.260 2.224 -4.109 + 3484TIP3 H116761 1.196 2.251 -4.176 + 3484TIP3 H216762 1.241 2.290 -4.040 + 3485TIP3 OH216763 1.080 1.961 -4.216 + 3485TIP3 H116764 1.108 2.035 -4.271 + 3485TIP3 H216765 1.120 1.886 -4.260 + 3486TIP3 OH216766 1.024 2.071 -3.650 + 3486TIP3 H116767 1.016 1.976 -3.667 + 3486TIP3 H216768 0.986 2.080 -3.560 + 3487TIP3 OH216769 -0.483 2.285 -3.280 + 3487TIP3 H116770 -0.465 2.294 -3.375 + 3487TIP3 H216771 -0.394 2.283 -3.245 + 3488TIP3 OH216772 1.087 2.263 -2.745 + 3488TIP3 H116773 1.158 2.202 -2.718 + 3488TIP3 H216774 1.133 2.347 -2.752 + 3489TIP3 OH216775 1.242 2.078 -2.618 + 3489TIP3 H116776 1.163 2.024 -2.636 + 3489TIP3 H216777 1.312 2.010 -2.617 + 3490TIP3 OH216778 1.002 1.650 -4.333 + 3490TIP3 H116779 1.054 1.620 -4.258 + 3490TIP3 H216780 0.913 1.615 -4.316 + 3491TIP3 OH216781 1.004 1.825 -3.836 + 3491TIP3 H116782 1.031 1.730 -3.829 + 3491TIP3 H216783 1.086 1.863 -3.873 + 3492TIP3 OH216784 1.035 1.882 -3.289 + 3492TIP3 H116785 1.132 1.892 -3.291 + 3492TIP3 H216786 1.021 1.886 -3.192 + 3493TIP3 OH216787 1.048 1.951 -3.009 + 3493TIP3 H116788 0.965 1.990 -2.977 + 3493TIP3 H216789 1.102 2.030 -3.026 + 3494TIP3 OH216790 -0.501 1.828 -2.641 + 3494TIP3 H116791 -0.407 1.804 -2.637 + 3494TIP3 H216792 -0.543 1.740 -2.632 + 3495TIP3 OH216793 1.293 1.358 -2.483 + 3495TIP3 H116794 1.338 1.293 -2.540 + 3495TIP3 H216795 1.291 1.438 -2.539 + 3496TIP3 OH216796 1.055 1.552 -3.826 + 3496TIP3 H116797 1.072 1.512 -3.739 + 3496TIP3 H216798 0.980 1.498 -3.859 + 3497TIP3 OH216799 -0.406 1.674 -3.356 + 3497TIP3 H116800 -0.369 1.585 -3.350 + 3497TIP3 H216801 -0.340 1.726 -3.308 + 3498TIP3 OH216802 -0.570 1.929 -3.255 + 3498TIP3 H116803 -0.512 1.922 -3.332 + 3498TIP3 H216804 -0.535 2.009 -3.212 + 3499TIP3 OH216805 1.251 1.580 -2.652 + 3499TIP3 H116806 1.161 1.614 -2.639 + 3499TIP3 H216807 1.236 1.518 -2.726 + 3500TIP3 OH216808 1.267 1.603 -4.162 + 3500TIP3 H116809 1.263 1.523 -4.218 + 3500TIP3 H216810 1.357 1.634 -4.178 + 3501TIP3 OH216811 -0.523 1.574 -3.841 + 3501TIP3 H116812 -0.614 1.564 -3.874 + 3501TIP3 H216813 -0.479 1.619 -3.916 + 3502TIP3 OH216814 0.943 3.082 -3.640 + 3502TIP3 H116815 0.993 3.062 -3.721 + 3502TIP3 H216816 1.008 3.129 -3.587 + 3503TIP3 OH216817 -0.513 1.454 -3.033 + 3503TIP3 H116818 -0.584 1.422 -2.975 + 3503TIP3 H216819 -0.564 1.502 -3.101 + 3504TIP3 OH216820 -0.316 2.757 -2.566 + 3504TIP3 H116821 -0.388 2.759 -2.631 + 3504TIP3 H216822 -0.363 2.759 -2.482 + 3505TIP3 OH216823 -0.032 2.857 -3.000 + 3505TIP3 H116824 -0.063 2.942 -3.035 + 3505TIP3 H216825 0.064 2.867 -3.018 + 3506TIP3 OH216826 0.419 2.989 -2.697 + 3506TIP3 H116827 0.435 2.971 -2.604 + 3506TIP3 H216828 0.502 3.034 -2.724 + 3507TIP3 OH216829 0.648 3.134 -2.772 + 3507TIP3 H116830 0.718 3.071 -2.796 + 3507TIP3 H216831 0.679 3.165 -2.686 + 3508TIP3 OH216832 1.093 1.366 -2.811 + 3508TIP3 H116833 1.048 1.416 -2.881 + 3508TIP3 H216834 1.139 1.297 -2.862 + 3509TIP3 OH216835 -0.295 3.153 -2.966 + 3509TIP3 H116836 -0.353 3.217 -3.011 + 3509TIP3 H216837 -0.329 3.159 -2.876 + 3510TIP3 OH216838 -0.045 3.130 -3.112 + 3510TIP3 H116839 -0.130 3.151 -3.068 + 3510TIP3 H216840 -0.040 3.201 -3.179 + 3511TIP3 OH216841 0.429 3.131 -3.155 + 3511TIP3 H116842 0.394 3.176 -3.234 + 3511TIP3 H216843 0.439 3.206 -3.094 + 3512TIP3 OH216844 0.663 3.003 -3.062 + 3512TIP3 H116845 0.578 3.039 -3.096 + 3512TIP3 H216846 0.720 3.081 -3.066 + 3513TIP3 OH216847 0.917 3.176 -3.045 + 3513TIP3 H116848 0.912 3.271 -3.066 + 3513TIP3 H216849 0.945 3.140 -3.131 + 3514TIP3 OH216850 -0.336 3.033 -3.273 + 3514TIP3 H116851 -0.339 2.986 -3.187 + 3514TIP3 H216852 -0.259 2.991 -3.314 + 3515TIP3 OH216853 -0.134 2.908 -3.429 + 3515TIP3 H116854 -0.148 2.816 -3.399 + 3515TIP3 H216855 -0.043 2.925 -3.397 + 3516TIP3 OH216856 0.140 2.954 -3.339 + 3516TIP3 H116857 0.161 2.862 -3.360 + 3516TIP3 H216858 0.148 2.954 -3.243 + 3517TIP3 OH216859 0.472 1.546 -3.408 + 3517TIP3 H116860 0.405 1.476 -3.396 + 3517TIP3 H216861 0.535 1.502 -3.468 + 3518TIP3 OH216862 0.969 1.349 -3.362 + 3518TIP3 H116863 1.046 1.390 -3.405 + 3518TIP3 H216864 0.895 1.375 -3.419 + 3519TIP3 OH216865 1.176 1.457 -3.576 + 3519TIP3 H116866 1.247 1.413 -3.626 + 3519TIP3 H216867 1.210 1.549 -3.569 + 3520TIP3 OH216868 -0.290 1.416 -3.651 + 3520TIP3 H116869 -0.376 1.405 -3.697 + 3520TIP3 H216870 -0.248 1.330 -3.670 + 3521TIP3 OH216871 -0.403 1.367 -4.079 + 3521TIP3 H116872 -0.349 1.433 -4.129 + 3521TIP3 H216873 -0.451 1.426 -4.019 + 3522TIP3 OH216874 0.157 1.399 -3.665 + 3522TIP3 H116875 0.249 1.428 -3.679 + 3522TIP3 H216876 0.155 1.388 -3.570 + 3523TIP3 OH216877 0.718 1.403 -3.522 + 3523TIP3 H116878 0.742 1.389 -3.615 + 3523TIP3 H216879 0.678 1.317 -3.499 + 3524TIP3 OH216880 0.823 1.410 -3.915 + 3524TIP3 H116881 0.743 1.456 -3.946 + 3524TIP3 H216882 0.793 1.317 -3.922 + 3525TIP3 OH216883 -0.404 2.960 -3.970 + 3525TIP3 H116884 -0.479 2.963 -4.032 + 3525TIP3 H216885 -0.402 3.052 -3.939 + 3526TIP3 OH216886 -0.242 1.542 -4.218 + 3526TIP3 H116887 -0.194 1.492 -4.286 + 3526TIP3 H216888 -0.169 1.587 -4.172 + 3527TIP3 OH216889 0.269 1.562 -3.959 + 3527TIP3 H116890 0.308 1.508 -3.889 + 3527TIP3 H216891 0.294 1.651 -3.927 + 3528TIP3 OH216892 0.474 3.123 -4.144 + 3528TIP3 H116893 0.571 3.138 -4.149 + 3528TIP3 H216894 0.463 3.064 -4.221 + 3529TIP3 OH216895 1.138 3.044 -3.885 + 3529TIP3 H116896 1.106 2.961 -3.927 + 3529TIP3 H216897 1.113 3.111 -3.952 + 3530TIP3 OH216898 -0.312 1.440 -2.699 + 3530TIP3 H116899 -0.350 1.357 -2.665 + 3530TIP3 H216900 -0.218 1.426 -2.675 + 3531TIP3 OH216901 -0.073 1.376 -2.529 + 3531TIP3 H116902 0.010 1.340 -2.568 + 3531TIP3 H216903 -0.107 1.296 -2.485 + 3532TIP3 OH216904 -0.211 3.062 -4.233 + 3532TIP3 H116905 -0.244 3.097 -4.149 + 3532TIP3 H216906 -0.133 3.012 -4.207 + 3533TIP3 OH216907 1.077 2.924 -2.641 + 3533TIP3 H116908 1.004 2.902 -2.701 + 3533TIP3 H216909 1.058 3.017 -2.621 + 3534TIP3 OH216910 2.499 2.290 -3.628 + 3534TIP3 H116911 2.498 2.386 -3.616 + 3534TIP3 H216912 2.421 2.276 -3.683 + 3535TIP3 OH216913 2.381 2.235 -3.320 + 3535TIP3 H116914 2.381 2.180 -3.241 + 3535TIP3 H216915 2.355 2.170 -3.388 + 3536TIP3 OH216916 1.630 2.193 -3.154 + 3536TIP3 H116917 1.628 2.118 -3.091 + 3536TIP3 H216918 1.699 2.248 -3.113 + 3537TIP3 OH216919 2.749 2.508 -3.488 + 3537TIP3 H116920 2.712 2.437 -3.433 + 3537TIP3 H216921 2.779 2.570 -3.421 + 3538TIP3 OH216922 1.695 2.658 -3.304 + 3538TIP3 H116923 1.671 2.566 -3.328 + 3538TIP3 H216924 1.788 2.644 -3.279 + 3539TIP3 OH216925 1.395 1.998 -3.762 + 3539TIP3 H116926 1.352 2.085 -3.753 + 3539TIP3 H216927 1.327 1.947 -3.807 + 3540TIP3 OH216928 1.475 2.243 -3.578 + 3540TIP3 H116929 1.488 2.159 -3.529 + 3540TIP3 H216930 1.560 2.253 -3.623 + 3541TIP3 OH216931 2.455 3.044 -3.432 + 3541TIP3 H116932 2.513 2.973 -3.464 + 3541TIP3 H216933 2.428 3.011 -3.345 + 3542TIP3 OH216934 2.231 2.485 -3.264 + 3542TIP3 H116935 2.264 2.412 -3.320 + 3542TIP3 H216936 2.311 2.501 -3.212 + 3543TIP3 OH216937 3.098 1.637 -3.200 + 3543TIP3 H116938 3.122 1.699 -3.128 + 3543TIP3 H216939 3.158 1.666 -3.270 + 3544TIP3 OH216940 2.561 1.918 -3.213 + 3544TIP3 H116941 2.574 1.822 -3.207 + 3544TIP3 H216942 2.552 1.931 -3.308 + 3545TIP3 OH216943 1.857 1.719 -3.504 + 3545TIP3 H116944 1.871 1.805 -3.550 + 3545TIP3 H216945 1.822 1.667 -3.579 + 3546TIP3 OH216946 2.641 1.736 -3.673 + 3546TIP3 H116947 2.699 1.692 -3.608 + 3546TIP3 H216948 2.706 1.779 -3.730 + 3547TIP3 OH216949 1.527 1.994 -3.454 + 3547TIP3 H116950 1.589 1.946 -3.397 + 3547TIP3 H216951 1.534 1.944 -3.537 + 3548TIP3 OH216952 2.065 2.132 -3.509 + 3548TIP3 H116953 2.135 2.077 -3.470 + 3548TIP3 H216954 2.014 2.065 -3.558 + 3549TIP3 OH216955 3.171 1.775 -2.951 + 3549TIP3 H116956 3.111 1.846 -2.980 + 3549TIP3 H216957 3.148 1.770 -2.857 + 3550TIP3 OH216958 1.737 1.598 -3.089 + 3550TIP3 H116959 1.697 1.649 -3.161 + 3550TIP3 H216960 1.672 1.613 -3.017 + 3551TIP3 OH216961 2.486 2.574 -3.749 + 3551TIP3 H116962 2.455 2.554 -3.838 + 3551TIP3 H216963 2.443 2.659 -3.731 + 3552TIP3 OH216964 2.031 2.387 -3.076 + 3552TIP3 H116965 1.957 2.446 -3.050 + 3552TIP3 H216966 2.093 2.449 -3.119 + 3553TIP3 OH216967 2.826 1.661 -3.470 + 3553TIP3 H116968 2.786 1.601 -3.406 + 3553TIP3 H216969 2.877 1.721 -3.413 + 3554TIP3 OH216970 1.697 1.803 -3.294 + 3554TIP3 H116971 1.762 1.861 -3.248 + 3554TIP3 H216972 1.755 1.766 -3.365 + 3555TIP3 OH216973 1.829 2.574 -3.005 + 3555TIP3 H116974 1.826 2.667 -3.033 + 3555TIP3 H216975 1.743 2.567 -2.960 + 3556TIP3 OH216976 1.463 2.543 -3.918 + 3556TIP3 H116977 1.441 2.586 -4.003 + 3556TIP3 H216978 1.477 2.618 -3.857 + 3557TIP3 OH216979 2.806 2.690 -3.239 + 3557TIP3 H116980 2.709 2.703 -3.237 + 3557TIP3 H216981 2.835 2.775 -3.275 + 3558TIP3 OH216982 2.839 1.579 -3.084 + 3558TIP3 H116983 2.761 1.615 -3.131 + 3558TIP3 H216984 2.911 1.595 -3.148 + 3559TIP3 OH216985 2.152 1.348 -3.380 + 3559TIP3 H116986 2.129 1.253 -3.385 + 3559TIP3 H216987 2.069 1.386 -3.343 + 3560TIP3 OH216988 2.635 2.883 -3.584 + 3560TIP3 H116989 2.683 2.804 -3.614 + 3560TIP3 H216990 2.704 2.952 -3.590 + 3561TIP3 OH216991 2.780 2.671 -3.720 + 3561TIP3 H116992 2.731 2.623 -3.788 + 3561TIP3 H216993 2.776 2.607 -3.646 + 3562TIP3 OH216994 2.936 2.552 -2.870 + 3562TIP3 H116995 2.925 2.488 -2.943 + 3562TIP3 H216996 2.947 2.636 -2.919 + 3563TIP3 OH216997 2.361 2.237 -3.907 + 3563TIP3 H116998 2.300 2.307 -3.937 + 3563TIP3 H216999 2.434 2.244 -3.971 + 3564TIP3 OH217000 3.111 2.169 -3.076 + 3564TIP3 H117001 3.039 2.235 -3.069 + 3564TIP3 H217002 3.159 2.204 -3.154 + 3565TIP3 OH217003 2.708 2.236 -3.801 + 3565TIP3 H117004 2.642 2.258 -3.732 + 3565TIP3 H217005 2.771 2.184 -3.749 + 3566TIP3 OH217006 2.696 2.096 -2.909 + 3566TIP3 H117007 2.702 2.180 -2.859 + 3566TIP3 H217008 2.632 2.124 -2.976 + 3567TIP3 OH217009 1.872 2.318 -3.617 + 3567TIP3 H117010 1.845 2.273 -3.700 + 3567TIP3 H217011 1.937 2.255 -3.581 + 3568TIP3 OH217012 2.010 2.661 -3.343 + 3568TIP3 H117013 1.998 2.619 -3.429 + 3568TIP3 H217014 2.088 2.614 -3.308 + 3569TIP3 OH217015 1.931 2.201 -3.268 + 3569TIP3 H117016 1.990 2.204 -3.345 + 3569TIP3 H217017 1.970 2.267 -3.208 + 3570TIP3 OH217018 2.525 2.752 -3.209 + 3570TIP3 H117019 2.528 2.819 -3.139 + 3570TIP3 H217020 2.503 2.670 -3.161 + 3571TIP3 OH217021 2.015 2.632 -2.783 + 3571TIP3 H117022 1.964 2.699 -2.734 + 3571TIP3 H217023 1.950 2.606 -2.852 + 3572TIP3 OH217024 2.601 2.197 -4.067 + 3572TIP3 H117025 2.647 2.210 -3.981 + 3572TIP3 H217026 2.668 2.228 -4.130 + 3573TIP3 OH217027 1.708 2.273 -2.872 + 3573TIP3 H117028 1.713 2.330 -2.793 + 3573TIP3 H217029 1.612 2.258 -2.879 + 3574TIP3 OH217030 2.352 2.847 -3.696 + 3574TIP3 H117031 2.404 2.872 -3.619 + 3574TIP3 H217032 2.306 2.929 -3.719 + 3575TIP3 OH217033 1.825 2.851 -2.701 + 3575TIP3 H117034 1.813 2.854 -2.798 + 3575TIP3 H217035 1.737 2.823 -2.669 + 3576TIP3 OH217036 2.965 1.353 -4.073 + 3576TIP3 H117037 2.868 1.359 -4.061 + 3576TIP3 H217038 2.986 1.443 -4.101 + 3577TIP3 OH217039 1.778 2.192 -3.875 + 3577TIP3 H117040 1.743 2.271 -3.921 + 3577TIP3 H217041 1.705 2.130 -3.885 + 3578TIP3 OH217042 3.070 2.787 -4.254 + 3578TIP3 H117043 3.099 2.867 -4.206 + 3578TIP3 H217044 3.144 2.725 -4.240 + 3579TIP3 OH217045 1.370 2.461 -2.990 + 3579TIP3 H117046 1.326 2.460 -3.077 + 3579TIP3 H217047 1.384 2.366 -2.973 + 3580TIP3 OH217048 1.376 2.754 -3.297 + 3580TIP3 H117049 1.468 2.725 -3.291 + 3580TIP3 H217050 1.370 2.814 -3.222 + 3581TIP3 OH217051 3.215 2.815 -2.718 + 3581TIP3 H117052 3.204 2.721 -2.739 + 3581TIP3 H217053 3.123 2.839 -2.691 + 3582TIP3 OH217054 2.279 2.737 -2.840 + 3582TIP3 H117055 2.287 2.820 -2.787 + 3582TIP3 H217056 2.189 2.708 -2.816 + 3583TIP3 OH217057 2.309 3.117 -3.848 + 3583TIP3 H117058 2.310 3.130 -3.944 + 3583TIP3 H217059 2.313 3.208 -3.814 + 3584TIP3 OH217060 1.688 3.030 -3.681 + 3584TIP3 H117061 1.705 2.987 -3.595 + 3584TIP3 H217062 1.601 2.994 -3.703 + 3585TIP3 OH217063 2.633 3.078 -4.140 + 3585TIP3 H117064 2.679 3.020 -4.204 + 3585TIP3 H217065 2.639 3.025 -4.058 + 3586TIP3 OH217066 2.582 3.006 -3.863 + 3586TIP3 H117067 2.489 3.023 -3.839 + 3586TIP3 H217068 2.606 2.940 -3.796 + 3587TIP3 OH217069 2.891 1.950 -2.677 + 3587TIP3 H117070 2.842 1.991 -2.750 + 3587TIP3 H217071 2.898 1.858 -2.708 + 3588TIP3 OH217072 1.590 2.616 -2.865 + 3588TIP3 H117073 1.617 2.569 -2.784 + 3588TIP3 H217074 1.516 2.561 -2.898 + 3589TIP3 OH217075 1.910 1.463 -3.289 + 3589TIP3 H117076 1.828 1.457 -3.341 + 3589TIP3 H217077 1.886 1.536 -3.229 + 3590TIP3 OH217078 2.346 1.422 -2.923 + 3590TIP3 H117079 2.399 1.367 -2.861 + 3590TIP3 H217080 2.256 1.386 -2.912 + 3591TIP3 OH217081 2.663 1.801 -2.871 + 3591TIP3 H117082 2.600 1.785 -2.798 + 3591TIP3 H217083 2.655 1.896 -2.888 + 3592TIP3 OH217084 2.834 2.270 -4.251 + 3592TIP3 H117085 2.803 2.252 -4.341 + 3592TIP3 H217086 2.875 2.356 -4.264 + 3593TIP3 OH217087 2.326 1.660 -4.219 + 3593TIP3 H117088 2.278 1.653 -4.136 + 3593TIP3 H217089 2.284 1.589 -4.270 + 3594TIP3 OH217090 1.895 1.941 -3.149 + 3594TIP3 H117091 1.839 1.953 -3.070 + 3594TIP3 H217092 1.902 2.033 -3.184 + 3595TIP3 OH217093 1.887 1.952 -3.661 + 3595TIP3 H117094 1.791 1.936 -3.676 + 3595TIP3 H217095 1.922 1.928 -3.749 + 3596TIP3 OH217096 2.457 2.003 -3.785 + 3596TIP3 H117097 2.416 2.085 -3.819 + 3596TIP3 H217098 2.522 1.983 -3.855 + 3597TIP3 OH217099 2.369 2.027 -2.645 + 3597TIP3 H117100 2.318 1.950 -2.611 + 3597TIP3 H217101 2.457 2.011 -2.606 + 3598TIP3 OH217102 2.536 1.944 -3.505 + 3598TIP3 H117103 2.508 2.001 -3.579 + 3598TIP3 H217104 2.557 1.863 -3.555 + 3599TIP3 OH217105 1.628 1.958 -2.964 + 3599TIP3 H117106 1.658 1.989 -2.877 + 3599TIP3 H217107 1.595 1.869 -2.943 + 3600TIP3 OH217108 2.008 1.735 -4.298 + 3600TIP3 H117109 1.975 1.675 -4.228 + 3600TIP3 H217110 1.926 1.752 -4.348 + 3601TIP3 OH217111 1.315 1.707 -3.600 + 3601TIP3 H117112 1.377 1.700 -3.526 + 3601TIP3 H217113 1.362 1.666 -3.674 + 3602TIP3 OH217114 1.480 1.753 -4.032 + 3602TIP3 H117115 1.528 1.799 -4.103 + 3602TIP3 H217116 1.404 1.812 -4.018 + 3603TIP3 OH217117 2.446 2.113 -3.059 + 3603TIP3 H117118 2.490 2.041 -3.109 + 3603TIP3 H217119 2.412 2.065 -2.982 + 3604TIP3 OH217120 2.167 1.709 -3.557 + 3604TIP3 H117121 2.072 1.702 -3.535 + 3604TIP3 H217122 2.209 1.688 -3.472 + 3605TIP3 OH217123 1.626 1.832 -3.692 + 3605TIP3 H117124 1.541 1.856 -3.735 + 3605TIP3 H217125 1.652 1.751 -3.740 + 3606TIP3 OH217126 1.982 1.867 -3.927 + 3606TIP3 H117127 2.078 1.872 -3.912 + 3606TIP3 H217128 1.963 1.939 -3.988 + 3607TIP3 OH217129 2.605 1.622 -3.255 + 3607TIP3 H117130 2.541 1.623 -3.181 + 3607TIP3 H217131 2.548 1.588 -3.326 + 3608TIP3 OH217132 1.860 1.995 -4.180 + 3608TIP3 H117133 1.780 1.945 -4.206 + 3608TIP3 H217134 1.927 1.949 -4.231 + 3609TIP3 OH217135 2.905 3.201 -2.589 + 3609TIP3 H117136 2.928 3.245 -2.672 + 3609TIP3 H217137 2.977 3.230 -2.530 + 3610TIP3 OH217138 1.696 2.463 -2.646 + 3610TIP3 H117139 1.763 2.470 -2.576 + 3610TIP3 H217140 1.615 2.459 -2.591 + 3611TIP3 OH217141 2.268 1.963 -3.375 + 3611TIP3 H117142 2.341 1.920 -3.421 + 3611TIP3 H217143 2.252 1.902 -3.300 + 3612TIP3 OH217144 1.801 1.604 -3.762 + 3612TIP3 H117145 1.743 1.527 -3.748 + 3612TIP3 H217146 1.882 1.563 -3.794 + 3613TIP3 OH217147 2.165 1.809 -3.151 + 3613TIP3 H117148 2.088 1.867 -3.149 + 3613TIP3 H217149 2.214 1.834 -3.069 + 3614TIP3 OH217150 2.180 2.446 -3.960 + 3614TIP3 H117151 2.106 2.391 -3.993 + 3614TIP3 H217152 2.161 2.453 -3.864 + 3615TIP3 OH217153 2.902 2.363 -3.087 + 3615TIP3 H117154 2.952 2.418 -3.151 + 3615TIP3 H217155 2.816 2.353 -3.133 + 3616TIP3 OH217156 2.601 1.721 -4.178 + 3616TIP3 H117157 2.505 1.719 -4.191 + 3616TIP3 H217158 2.617 1.802 -4.126 + 3617TIP3 OH217159 2.343 2.448 -2.828 + 3617TIP3 H117160 2.312 2.417 -2.742 + 3617TIP3 H217161 2.313 2.540 -2.828 + 3618TIP3 OH217162 2.655 1.910 -3.983 + 3618TIP3 H117163 2.744 1.893 -3.945 + 3618TIP3 H217164 2.668 1.991 -4.035 + 3619TIP3 OH217165 1.693 2.386 -3.378 + 3619TIP3 H117166 1.749 2.375 -3.456 + 3619TIP3 H217167 1.703 2.300 -3.333 + 3620TIP3 OH217168 2.422 2.582 -4.070 + 3620TIP3 H117169 2.395 2.671 -4.038 + 3620TIP3 H217170 2.346 2.529 -4.041 + 3621TIP3 OH217171 1.421 2.213 -2.853 + 3621TIP3 H117172 1.434 2.171 -2.766 + 3621TIP3 H217173 1.356 2.154 -2.895 + 3622TIP3 OH217174 2.116 2.165 -2.654 + 3622TIP3 H117175 2.082 2.139 -2.741 + 3622TIP3 H217176 2.209 2.137 -2.663 + 3623TIP3 OH217177 2.569 2.706 -2.881 + 3623TIP3 H117178 2.473 2.716 -2.887 + 3623TIP3 H217179 2.586 2.732 -2.789 + 3624TIP3 OH217180 3.128 1.919 -3.999 + 3624TIP3 H117181 3.065 1.900 -4.071 + 3624TIP3 H217182 3.139 2.015 -4.017 + 3625TIP3 OH217183 3.168 2.516 -2.724 + 3625TIP3 H117184 3.075 2.538 -2.743 + 3625TIP3 H217185 3.202 2.499 -2.814 + 3626TIP3 OH217186 2.941 2.766 -4.000 + 3626TIP3 H117187 2.924 2.691 -3.941 + 3626TIP3 H217188 2.988 2.725 -4.073 + 3627TIP3 OH217189 2.668 2.307 -3.256 + 3627TIP3 H117190 2.574 2.291 -3.280 + 3627TIP3 H217191 2.711 2.235 -3.306 + 3628TIP3 OH217192 1.931 2.714 -3.657 + 3628TIP3 H117193 1.972 2.801 -3.664 + 3628TIP3 H217194 1.838 2.735 -3.674 + 3629TIP3 OH217195 1.540 2.207 -4.200 + 3629TIP3 H117196 1.592 2.274 -4.151 + 3629TIP3 H217197 1.449 2.225 -4.170 + 3630TIP3 OH217198 2.112 2.484 -3.694 + 3630TIP3 H117199 2.084 2.575 -3.676 + 3630TIP3 H217200 2.044 2.433 -3.648 + 3631TIP3 OH217201 2.130 2.910 -3.055 + 3631TIP3 H117202 2.186 2.984 -3.083 + 3631TIP3 H217203 2.192 2.861 -2.998 + 3632TIP3 OH217204 1.975 3.005 -3.735 + 3632TIP3 H117205 1.879 3.019 -3.724 + 3632TIP3 H217206 2.010 3.092 -3.708 + 3633TIP3 OH217207 2.471 2.484 -3.099 + 3633TIP3 H117208 2.443 2.457 -3.009 + 3633TIP3 H217209 2.545 2.424 -3.115 + 3634TIP3 OH217210 2.684 2.608 -4.195 + 3634TIP3 H117211 2.737 2.569 -4.123 + 3634TIP3 H217212 2.596 2.601 -4.155 + 3635TIP3 OH217213 2.766 2.942 -2.859 + 3635TIP3 H117214 2.690 2.897 -2.901 + 3635TIP3 H217215 2.776 3.021 -2.914 + 3636TIP3 OH217216 3.172 3.061 -4.159 + 3636TIP3 H117217 3.244 3.125 -4.142 + 3636TIP3 H217218 3.094 3.116 -4.138 + 3637TIP3 OH217219 1.550 1.678 -2.891 + 3637TIP3 H117220 1.459 1.704 -2.915 + 3637TIP3 H217221 1.535 1.592 -2.848 + 3638TIP3 OH217222 2.784 2.473 -3.967 + 3638TIP3 H117223 2.757 2.398 -3.911 + 3638TIP3 H217224 2.881 2.470 -3.959 + 3639TIP3 OH217225 1.527 2.854 -3.050 + 3639TIP3 H117226 1.556 2.763 -3.033 + 3639TIP3 H217227 1.548 2.895 -2.966 + 3640TIP3 OH217228 2.135 2.717 -4.329 + 3640TIP3 H117229 2.176 2.632 -4.353 + 3640TIP3 H217230 2.087 2.692 -4.248 + 3641TIP3 OH217231 1.995 2.670 -4.080 + 3641TIP3 H117232 2.043 2.620 -4.012 + 3641TIP3 H217233 2.011 2.763 -4.051 + 3642TIP3 OH217234 1.684 2.412 -4.035 + 3642TIP3 H117235 1.605 2.448 -3.989 + 3642TIP3 H217236 1.724 2.494 -4.068 + 3643TIP3 OH217237 2.448 1.663 -3.036 + 3643TIP3 H117238 2.509 1.688 -2.966 + 3643TIP3 H217239 2.398 1.589 -2.995 + 3644TIP3 OH217240 2.504 1.622 -3.921 + 3644TIP3 H117241 2.540 1.666 -4.000 + 3644TIP3 H217242 2.559 1.658 -3.851 + 3645TIP3 OH217243 2.286 2.830 -4.032 + 3645TIP3 H117244 2.211 2.883 -4.000 + 3645TIP3 H217245 2.342 2.899 -4.071 + 3646TIP3 OH217246 2.245 1.814 -3.815 + 3646TIP3 H117247 2.328 1.865 -3.802 + 3646TIP3 H217248 2.222 1.791 -3.723 + 3647TIP3 OH217249 2.289 1.897 -2.900 + 3647TIP3 H117250 2.293 1.949 -2.818 + 3647TIP3 H217251 2.342 1.820 -2.876 + 3648TIP3 OH217252 2.315 1.511 -3.724 + 3648TIP3 H117253 2.296 1.579 -3.657 + 3648TIP3 H217254 2.386 1.554 -3.775 + 3649TIP3 OH217255 2.005 2.949 -4.026 + 3649TIP3 H117256 2.012 3.034 -4.073 + 3649TIP3 H217257 1.994 2.977 -3.933 + 3650TIP3 OH217258 1.884 1.615 -4.082 + 3650TIP3 H117259 1.882 1.684 -4.014 + 3650TIP3 H217260 1.958 1.560 -4.049 + 3651TIP3 OH217261 2.916 1.699 -2.810 + 3651TIP3 H117262 2.820 1.712 -2.826 + 3651TIP3 H217263 2.942 1.675 -2.900 + 3652TIP3 OH217264 2.767 2.082 -3.408 + 3652TIP3 H117265 2.685 2.037 -3.435 + 3652TIP3 H217266 2.816 2.010 -3.362 + 3653TIP3 OH217267 1.717 2.705 -4.154 + 3653TIP3 H117268 1.800 2.736 -4.114 + 3653TIP3 H217269 1.750 2.662 -4.235 + 3654TIP3 OH217270 1.550 1.928 -4.251 + 3654TIP3 H117271 1.555 2.024 -4.235 + 3654TIP3 H217272 1.462 1.920 -4.290 + 3655TIP3 OH217273 2.873 2.970 -3.267 + 3655TIP3 H117274 2.856 3.050 -3.319 + 3655TIP3 H217275 2.967 2.981 -3.248 + 3656TIP3 OH217276 1.629 1.419 -3.371 + 3656TIP3 H117277 1.613 1.416 -3.467 + 3656TIP3 H217278 1.597 1.332 -3.341 + 3657TIP3 OH217279 1.517 2.769 -3.748 + 3657TIP3 H117280 1.440 2.822 -3.723 + 3657TIP3 H217281 1.557 2.822 -3.818 + 3658TIP3 OH217282 1.460 3.059 -2.628 + 3658TIP3 H117283 1.518 3.030 -2.555 + 3658TIP3 H217284 1.421 2.973 -2.657 + 3659TIP3 OH217285 1.928 2.966 -2.450 + 3659TIP3 H117286 1.998 2.902 -2.428 + 3659TIP3 H217287 1.906 2.938 -2.541 + 3660TIP3 OH217288 2.351 2.902 -4.335 + 3660TIP3 H117289 2.271 2.846 -4.326 + 3660TIP3 H217290 2.418 2.834 -4.352 + 3661TIP3 OH217291 2.577 2.792 -2.593 + 3661TIP3 H117292 2.538 2.711 -2.555 + 3661TIP3 H217293 2.646 2.814 -2.527 + 3662TIP3 OH217294 2.741 2.870 -4.289 + 3662TIP3 H117295 2.766 2.792 -4.239 + 3662TIP3 H217296 2.827 2.910 -4.314 + 3663TIP3 OH217297 1.454 2.422 -2.517 + 3663TIP3 H117298 1.462 2.330 -2.547 + 3663TIP3 H217299 1.377 2.452 -2.568 + 3664TIP3 OH217300 1.885 2.434 -4.320 + 3664TIP3 H117301 1.918 2.418 -4.231 + 3664TIP3 H217302 1.961 2.470 -4.368 + 3665TIP3 OH217303 2.120 2.441 -2.583 + 3665TIP3 H117304 2.088 2.474 -2.668 + 3665TIP3 H217305 2.125 2.344 -2.598 + 3666TIP3 OH217306 2.410 2.580 -4.347 + 3666TIP3 H117307 2.428 2.597 -4.253 + 3666TIP3 H217308 2.481 2.519 -4.372 + 3667TIP3 OH217309 2.656 2.402 -2.843 + 3667TIP3 H117310 2.734 2.456 -2.863 + 3667TIP3 H217311 2.586 2.470 -2.845 + 3668TIP3 OH217312 1.542 2.137 -2.599 + 3668TIP3 H117313 1.613 2.071 -2.598 + 3668TIP3 H217314 1.536 2.158 -2.504 + 3669TIP3 OH217315 1.995 2.256 -4.090 + 3669TIP3 H117316 1.928 2.236 -4.024 + 3669TIP3 H217317 1.976 2.185 -4.154 + 3670TIP3 OH217318 1.906 2.047 -2.858 + 3670TIP3 H117319 1.854 2.126 -2.835 + 3670TIP3 H217320 1.972 2.085 -2.918 + 3671TIP3 OH217321 2.438 2.320 -2.499 + 3671TIP3 H117322 2.528 2.301 -2.532 + 3671TIP3 H217323 2.411 2.234 -2.463 + 3672TIP3 OH217324 1.968 1.780 -2.742 + 3672TIP3 H117325 1.973 1.712 -2.813 + 3672TIP3 H217326 1.945 1.859 -2.793 + 3673TIP3 OH217327 2.000 1.625 -2.997 + 3673TIP3 H117328 2.052 1.676 -3.061 + 3673TIP3 H217329 1.909 1.628 -3.033 + 3674TIP3 OH217330 2.155 2.169 -2.956 + 3674TIP3 H117331 2.238 2.161 -3.005 + 3674TIP3 H217332 2.124 2.257 -2.987 + 3675TIP3 OH217333 2.614 1.961 -2.470 + 3675TIP3 H117334 2.639 1.868 -2.478 + 3675TIP3 H217335 2.699 2.005 -2.486 + 3676TIP3 OH217336 2.709 2.241 -2.628 + 3676TIP3 H117337 2.675 2.303 -2.697 + 3676TIP3 H217338 2.799 2.227 -2.664 + 3677TIP3 OH217339 1.789 1.962 -2.562 + 3677TIP3 H117340 1.734 1.882 -2.561 + 3677TIP3 H217341 1.869 1.931 -2.607 + 3678TIP3 OH217342 2.072 1.358 -2.960 + 3678TIP3 H117343 2.054 1.453 -2.977 + 3678TIP3 H217344 2.003 1.315 -3.015 + 3679TIP3 OH217345 2.198 1.814 -2.582 + 3679TIP3 H117346 2.160 1.793 -2.494 + 3679TIP3 H217347 2.120 1.796 -2.638 + 3680TIP3 OH217348 2.454 1.721 -2.694 + 3680TIP3 H117349 2.364 1.724 -2.656 + 3680TIP3 H217350 2.498 1.655 -2.637 + 3681TIP3 OH217351 2.637 1.572 -2.515 + 3681TIP3 H117352 2.623 1.475 -2.507 + 3681TIP3 H217353 2.615 1.604 -2.427 + 3682TIP3 OH217354 1.656 1.708 -2.578 + 3682TIP3 H117355 1.645 1.637 -2.644 + 3682TIP3 H217356 1.631 1.661 -2.496 + 3683TIP3 OH217357 2.056 1.306 -2.679 + 3683TIP3 H117358 2.117 1.230 -2.675 + 3683TIP3 H217359 2.052 1.321 -2.775 + 3684TIP3 OH217360 2.151 1.494 -2.494 + 3684TIP3 H117361 2.121 1.434 -2.565 + 3684TIP3 H217362 2.081 1.561 -2.491 + 3685TIP3 OH217363 2.064 3.194 -4.174 + 3685TIP3 H117364 2.158 3.213 -4.160 + 3685TIP3 H217365 2.039 3.259 -4.242 + 3686TIP3 OH217366 1.449 2.599 -4.194 + 3686TIP3 H117367 1.537 2.641 -4.198 + 3686TIP3 H217368 1.443 2.552 -4.279 + 3687TIP3 OH217369 1.354 3.153 -3.723 + 3687TIP3 H117370 1.279 3.120 -3.776 + 3687TIP3 H217371 1.356 3.088 -3.650 + 3688TIP3 OH217372 1.388 2.957 -3.520 + 3688TIP3 H117373 1.358 2.871 -3.488 + 3688TIP3 H217374 1.421 2.994 -3.437 + 3689TIP3 OH217375 3.154 3.081 -3.224 + 3689TIP3 H117376 3.171 3.080 -3.129 + 3689TIP3 H217377 3.236 3.121 -3.258 + 3690TIP3 OH217378 3.130 3.030 -2.930 + 3690TIP3 H117379 3.081 2.956 -2.969 + 3690TIP3 H217380 3.187 2.982 -2.868 + 3691TIP3 OH217381 2.931 2.571 -2.501 + 3691TIP3 H117382 2.842 2.582 -2.462 + 3691TIP3 H217383 2.976 2.652 -2.472 + 3692TIP3 OH217384 3.071 2.456 -3.931 + 3692TIP3 H117385 3.161 2.493 -3.917 + 3692TIP3 H217386 3.068 2.393 -3.856 + 3693TIP3 OH217387 3.116 2.256 -3.732 + 3693TIP3 H117388 3.049 2.201 -3.687 + 3693TIP3 H217389 3.185 2.270 -3.664 + 3694TIP3 OH217390 3.089 2.508 -3.234 + 3694TIP3 H117391 3.151 2.460 -3.290 + 3694TIP3 H217392 3.103 2.599 -3.263 + 3695TIP3 OH217393 2.961 2.798 -3.008 + 3695TIP3 H117394 2.888 2.840 -2.959 + 3695TIP3 H217395 2.916 2.764 -3.088 + 3696TIP3 OH217396 3.145 2.223 -4.107 + 3696TIP3 H117397 3.084 2.253 -4.175 + 3696TIP3 H217398 3.127 2.289 -4.038 + 3697TIP3 OH217399 2.967 1.963 -4.213 + 3697TIP3 H117400 2.997 2.034 -4.272 + 3697TIP3 H217401 2.999 1.885 -4.259 + 3698TIP3 OH217402 2.907 2.073 -3.651 + 3698TIP3 H117403 2.900 1.977 -3.668 + 3698TIP3 H217404 2.869 2.082 -3.561 + 3699TIP3 OH217405 1.395 2.292 -3.280 + 3699TIP3 H117406 1.420 2.298 -3.374 + 3699TIP3 H217407 1.481 2.271 -3.239 + 3700TIP3 OH217408 2.970 2.264 -2.735 + 3700TIP3 H117409 3.045 2.203 -2.719 + 3700TIP3 H217410 3.015 2.347 -2.756 + 3701TIP3 OH217411 3.126 2.074 -2.611 + 3701TIP3 H117412 3.047 2.021 -2.636 + 3701TIP3 H217413 3.197 2.007 -2.617 + 3702TIP3 OH217414 2.889 1.651 -4.333 + 3702TIP3 H117415 2.945 1.617 -4.262 + 3702TIP3 H217416 2.803 1.609 -4.318 + 3703TIP3 OH217417 2.891 1.824 -3.835 + 3703TIP3 H117418 2.917 1.730 -3.828 + 3703TIP3 H217419 2.973 1.862 -3.872 + 3704TIP3 OH217420 2.921 1.882 -3.289 + 3704TIP3 H117421 3.018 1.893 -3.291 + 3704TIP3 H217422 2.906 1.884 -3.193 + 3705TIP3 OH217423 2.937 1.952 -3.006 + 3705TIP3 H117424 2.851 1.990 -2.980 + 3705TIP3 H217425 2.989 2.031 -3.028 + 3706TIP3 OH217426 1.388 1.831 -2.643 + 3706TIP3 H117427 1.482 1.804 -2.635 + 3706TIP3 H217428 1.343 1.745 -2.634 + 3707TIP3 OH217429 3.191 1.367 -2.478 + 3707TIP3 H117430 3.234 1.297 -2.531 + 3707TIP3 H217431 3.196 1.444 -2.537 + 3708TIP3 OH217432 2.942 1.549 -3.830 + 3708TIP3 H117433 2.952 1.511 -3.741 + 3708TIP3 H217434 2.868 1.495 -3.865 + 3709TIP3 OH217435 1.463 1.661 -3.359 + 3709TIP3 H117436 1.510 1.576 -3.353 + 3709TIP3 H217437 1.531 1.721 -3.324 + 3710TIP3 OH217438 1.317 1.929 -3.255 + 3710TIP3 H117439 1.375 1.926 -3.333 + 3710TIP3 H217440 1.353 2.005 -3.208 + 3711TIP3 OH217441 3.130 1.573 -2.654 + 3711TIP3 H117442 3.042 1.614 -2.651 + 3711TIP3 H217443 3.120 1.516 -2.733 + 3712TIP3 OH217444 3.145 1.587 -4.174 + 3712TIP3 H117445 3.168 1.517 -4.235 + 3712TIP3 H217446 3.228 1.638 -4.170 + 3713TIP3 OH217447 1.366 1.568 -3.849 + 3713TIP3 H117448 1.272 1.566 -3.872 + 3713TIP3 H217449 1.405 1.623 -3.919 + 3714TIP3 OH217450 2.826 3.086 -3.638 + 3714TIP3 H117451 2.872 3.064 -3.721 + 3714TIP3 H217452 2.897 3.129 -3.588 + 3715TIP3 OH217453 1.359 1.454 -3.020 + 3715TIP3 H117454 1.287 1.409 -2.976 + 3715TIP3 H217455 1.312 1.503 -3.091 + 3716TIP3 OH217456 1.570 2.763 -2.567 + 3716TIP3 H117457 1.497 2.758 -2.630 + 3716TIP3 H217458 1.525 2.754 -2.482 + 3717TIP3 OH217459 1.854 2.858 -3.000 + 3717TIP3 H117460 1.823 2.944 -3.035 + 3717TIP3 H217461 1.950 2.868 -3.017 + 3718TIP3 OH217462 2.305 2.989 -2.698 + 3718TIP3 H117463 2.319 2.972 -2.604 + 3718TIP3 H217464 2.388 3.034 -2.723 + 3719TIP3 OH217465 2.534 3.135 -2.775 + 3719TIP3 H117466 2.603 3.071 -2.797 + 3719TIP3 H217467 2.564 3.165 -2.687 + 3720TIP3 OH217468 3.017 1.395 -2.855 + 3720TIP3 H117469 2.937 1.413 -2.906 + 3720TIP3 H217470 3.039 1.305 -2.888 + 3721TIP3 OH217471 1.592 3.154 -2.966 + 3721TIP3 H117472 1.532 3.217 -3.011 + 3721TIP3 H217473 1.558 3.158 -2.876 + 3722TIP3 OH217474 1.841 3.131 -3.111 + 3722TIP3 H117475 1.756 3.150 -3.068 + 3722TIP3 H217476 1.844 3.201 -3.180 + 3723TIP3 OH217477 2.315 3.131 -3.155 + 3723TIP3 H117478 2.278 3.176 -3.233 + 3723TIP3 H217479 2.324 3.205 -3.092 + 3724TIP3 OH217480 2.549 3.002 -3.063 + 3724TIP3 H117481 2.464 3.039 -3.096 + 3724TIP3 H217482 2.605 3.081 -3.065 + 3725TIP3 OH217483 2.802 3.175 -3.044 + 3725TIP3 H117484 2.798 3.270 -3.067 + 3725TIP3 H217485 2.830 3.137 -3.129 + 3726TIP3 OH217486 1.550 3.034 -3.272 + 3726TIP3 H117487 1.548 2.985 -3.187 + 3726TIP3 H217488 1.626 2.990 -3.315 + 3727TIP3 OH217489 1.752 2.909 -3.429 + 3727TIP3 H117490 1.736 2.816 -3.401 + 3727TIP3 H217491 1.843 2.924 -3.396 + 3728TIP3 OH217492 2.027 2.955 -3.339 + 3728TIP3 H117493 2.046 2.862 -3.360 + 3728TIP3 H217494 2.034 2.953 -3.243 + 3729TIP3 OH217495 2.360 1.544 -3.410 + 3729TIP3 H117496 2.291 1.477 -3.395 + 3729TIP3 H217497 2.420 1.498 -3.470 + 3730TIP3 OH217498 2.855 1.348 -3.362 + 3730TIP3 H117499 2.931 1.391 -3.405 + 3730TIP3 H217500 2.780 1.375 -3.418 + 3731TIP3 OH217501 3.064 1.456 -3.575 + 3731TIP3 H117502 3.134 1.416 -3.628 + 3731TIP3 H217503 3.095 1.549 -3.567 + 3732TIP3 OH217504 1.596 1.416 -3.653 + 3732TIP3 H117505 1.510 1.404 -3.697 + 3732TIP3 H217506 1.637 1.329 -3.668 + 3733TIP3 OH217507 1.476 1.371 -4.079 + 3733TIP3 H117508 1.533 1.435 -4.127 + 3733TIP3 H217509 1.440 1.427 -4.008 + 3734TIP3 OH217510 2.041 1.402 -3.666 + 3734TIP3 H117511 2.134 1.428 -3.680 + 3734TIP3 H217512 2.040 1.389 -3.570 + 3735TIP3 OH217513 2.603 1.402 -3.524 + 3735TIP3 H117514 2.627 1.387 -3.616 + 3735TIP3 H217515 2.563 1.317 -3.500 + 3736TIP3 OH217516 2.706 1.400 -3.920 + 3736TIP3 H117517 2.628 1.445 -3.956 + 3736TIP3 H217518 2.674 1.308 -3.914 + 3737TIP3 OH217519 1.484 2.962 -3.967 + 3737TIP3 H117520 1.410 2.960 -4.031 + 3737TIP3 H217521 1.482 3.054 -3.940 + 3738TIP3 OH217522 1.642 1.546 -4.229 + 3738TIP3 H117523 1.693 1.483 -4.283 + 3738TIP3 H217524 1.712 1.589 -4.178 + 3739TIP3 OH217525 2.155 1.564 -3.959 + 3739TIP3 H117526 2.194 1.508 -3.891 + 3739TIP3 H217527 2.178 1.652 -3.924 + 3740TIP3 OH217528 2.359 3.124 -4.145 + 3740TIP3 H117529 2.457 3.136 -4.149 + 3740TIP3 H217530 2.348 3.064 -4.221 + 3741TIP3 OH217531 3.003 3.045 -3.885 + 3741TIP3 H117532 2.983 2.962 -3.932 + 3741TIP3 H217533 2.999 3.111 -3.957 + 3742TIP3 OH217534 1.575 1.438 -2.701 + 3742TIP3 H117535 1.535 1.357 -2.664 + 3742TIP3 H217536 1.667 1.427 -2.673 + 3743TIP3 OH217537 1.814 1.378 -2.526 + 3743TIP3 H117538 1.896 1.344 -2.568 + 3743TIP3 H217539 1.778 1.298 -2.485 + 3744TIP3 OH217540 1.682 3.068 -4.232 + 3744TIP3 H117541 1.640 3.095 -4.150 + 3744TIP3 H217542 1.746 3.001 -4.205 + 3745TIP3 OH217543 2.626 1.292 -2.509 + 3745TIP3 H117544 2.629 1.247 -2.422 + 3745TIP3 H217545 2.720 1.286 -2.536 + 3746TIP3 OH217546 2.962 2.923 -2.641 + 3746TIP3 H117547 2.889 2.903 -2.702 + 3746TIP3 H217548 2.945 3.016 -2.621 + 3747TIP3 OH217549 4.213 2.197 -3.313 + 3747TIP3 H117550 4.291 2.228 -3.263 + 3747TIP3 H217551 4.246 2.197 -3.403 + 3748TIP3 OH217552 3.515 2.193 -3.152 + 3748TIP3 H117553 3.514 2.118 -3.089 + 3748TIP3 H217554 3.587 2.247 -3.117 + 3749TIP3 OH217555 3.580 2.655 -3.300 + 3749TIP3 H117556 3.557 2.564 -3.328 + 3749TIP3 H217557 3.675 2.644 -3.282 + 3750TIP3 OH217558 3.281 1.996 -3.763 + 3750TIP3 H117559 3.241 2.084 -3.752 + 3750TIP3 H217560 3.210 1.948 -3.808 + 3751TIP3 OH217561 3.360 2.242 -3.579 + 3751TIP3 H117562 3.376 2.159 -3.529 + 3751TIP3 H217563 3.445 2.255 -3.624 + 3752TIP3 OH217564 4.120 2.485 -3.253 + 3752TIP3 H117565 4.146 2.412 -3.310 + 3752TIP3 H217566 4.204 2.507 -3.210 + 3753TIP3 OH217567 3.745 1.720 -3.505 + 3753TIP3 H117568 3.758 1.806 -3.549 + 3753TIP3 H217569 3.707 1.669 -3.579 + 3754TIP3 OH217570 3.412 1.992 -3.453 + 3754TIP3 H117571 3.475 1.945 -3.397 + 3754TIP3 H217572 3.420 1.944 -3.537 + 3755TIP3 OH217573 3.952 2.129 -3.507 + 3755TIP3 H117574 4.027 2.077 -3.472 + 3755TIP3 H217575 3.902 2.059 -3.553 + 3756TIP3 OH217576 3.624 1.598 -3.089 + 3756TIP3 H117577 3.584 1.649 -3.161 + 3756TIP3 H217578 3.558 1.612 -3.018 + 3757TIP3 OH217579 3.915 2.381 -3.074 + 3757TIP3 H117580 3.843 2.442 -3.049 + 3757TIP3 H217581 3.980 2.442 -3.114 + 3758TIP3 OH217582 3.584 1.803 -3.295 + 3758TIP3 H117583 3.648 1.861 -3.249 + 3758TIP3 H217584 3.642 1.766 -3.365 + 3759TIP3 OH217585 3.715 2.573 -3.002 + 3759TIP3 H117586 3.714 2.664 -3.036 + 3759TIP3 H217587 3.628 2.570 -2.959 + 3760TIP3 OH217588 3.345 2.547 -3.918 + 3760TIP3 H117589 3.327 2.593 -4.002 + 3760TIP3 H217590 3.364 2.621 -3.856 + 3761TIP3 OH217591 4.043 1.345 -3.375 + 3761TIP3 H117592 4.014 1.252 -3.375 + 3761TIP3 H217593 3.963 1.389 -3.338 + 3762TIP3 OH217594 4.272 2.224 -3.918 + 3762TIP3 H117595 4.202 2.293 -3.922 + 3762TIP3 H217596 4.338 2.264 -3.976 + 3763TIP3 OH217597 4.286 2.082 -4.213 + 3763TIP3 H117598 4.352 2.089 -4.142 + 3763TIP3 H217599 4.302 1.995 -4.247 + 3764TIP3 OH217600 3.758 2.317 -3.614 + 3764TIP3 H117601 3.729 2.274 -3.697 + 3764TIP3 H217602 3.824 2.254 -3.580 + 3765TIP3 OH217603 3.896 2.656 -3.339 + 3765TIP3 H117604 3.888 2.619 -3.428 + 3765TIP3 H217605 3.976 2.612 -3.306 + 3766TIP3 OH217606 3.815 2.201 -3.267 + 3766TIP3 H117607 3.876 2.199 -3.344 + 3766TIP3 H217608 3.857 2.266 -3.209 + 3767TIP3 OH217609 3.903 2.635 -2.784 + 3767TIP3 H117610 3.852 2.701 -2.736 + 3767TIP3 H217611 3.840 2.608 -2.854 + 3768TIP3 OH217612 3.595 2.269 -2.869 + 3768TIP3 H117613 3.600 2.330 -2.794 + 3768TIP3 H217614 3.499 2.259 -2.880 + 3769TIP3 OH217615 4.251 2.844 -3.699 + 3769TIP3 H117616 4.299 2.892 -3.630 + 3769TIP3 H217617 4.199 2.914 -3.740 + 3770TIP3 OH217618 3.711 2.852 -2.701 + 3770TIP3 H117619 3.701 2.855 -2.798 + 3770TIP3 H217620 3.623 2.823 -2.671 + 3771TIP3 OH217621 3.652 2.192 -3.865 + 3771TIP3 H117622 3.628 2.269 -3.918 + 3771TIP3 H217623 3.582 2.130 -3.887 + 3772TIP3 OH217624 3.255 2.461 -2.989 + 3772TIP3 H117625 3.212 2.461 -3.077 + 3772TIP3 H217626 3.269 2.366 -2.974 + 3773TIP3 OH217627 3.261 2.753 -3.296 + 3773TIP3 H117628 3.355 2.726 -3.293 + 3773TIP3 H217629 3.257 2.816 -3.222 + 3774TIP3 OH217630 4.173 2.735 -2.833 + 3774TIP3 H117631 4.180 2.824 -2.795 + 3774TIP3 H217632 4.082 2.709 -2.812 + 3775TIP3 OH217633 4.183 3.116 -3.846 + 3775TIP3 H117634 4.206 3.111 -3.940 + 3775TIP3 H217635 4.211 3.205 -3.821 + 3776TIP3 OH217636 3.578 3.004 -3.703 + 3776TIP3 H117637 3.586 3.013 -3.607 + 3776TIP3 H217638 3.486 3.030 -3.715 + 3777TIP3 OH217639 3.474 2.620 -2.867 + 3777TIP3 H117640 3.500 2.572 -2.786 + 3777TIP3 H217641 3.401 2.566 -2.902 + 3778TIP3 OH217642 3.797 1.462 -3.291 + 3778TIP3 H117643 3.714 1.455 -3.341 + 3778TIP3 H217644 3.776 1.536 -3.232 + 3779TIP3 OH217645 4.234 1.399 -2.862 + 3779TIP3 H117646 4.245 1.326 -2.799 + 3779TIP3 H217647 4.142 1.381 -2.894 + 3780TIP3 OH217648 4.223 1.669 -4.207 + 3780TIP3 H117649 4.159 1.666 -4.136 + 3780TIP3 H217650 4.189 1.603 -4.268 + 3781TIP3 OH217651 3.779 1.942 -3.149 + 3781TIP3 H117652 3.720 1.954 -3.072 + 3781TIP3 H217653 3.787 2.034 -3.184 + 3782TIP3 OH217654 3.774 1.948 -3.660 + 3782TIP3 H117655 3.678 1.939 -3.676 + 3782TIP3 H217656 3.809 1.932 -3.750 + 3783TIP3 OH217657 4.272 1.999 -3.711 + 3783TIP3 H117658 4.266 2.093 -3.736 + 3783TIP3 H217659 4.366 1.990 -3.689 + 3784TIP3 OH217660 4.252 2.032 -2.626 + 3784TIP3 H117661 4.195 1.952 -2.613 + 3784TIP3 H217662 4.338 1.987 -2.629 + 3785TIP3 OH217663 3.515 1.959 -2.963 + 3785TIP3 H117664 3.544 1.988 -2.876 + 3785TIP3 H217665 3.482 1.870 -2.944 + 3786TIP3 OH217666 3.893 1.693 -4.314 + 3786TIP3 H117667 3.855 1.673 -4.226 + 3786TIP3 H217668 3.822 1.750 -4.350 + 3787TIP3 OH217669 3.200 1.705 -3.600 + 3787TIP3 H117670 3.261 1.701 -3.525 + 3787TIP3 H217671 3.250 1.666 -3.673 + 3788TIP3 OH217672 3.358 1.748 -4.039 + 3788TIP3 H117673 3.413 1.798 -4.102 + 3788TIP3 H217674 3.290 1.814 -4.017 + 3789TIP3 OH217675 4.350 2.084 -3.022 + 3789TIP3 H117676 4.378 2.018 -3.089 + 3789TIP3 H217677 4.272 2.040 -2.987 + 3790TIP3 OH217678 4.047 1.683 -3.553 + 3790TIP3 H117679 3.954 1.697 -3.532 + 3790TIP3 H217680 4.089 1.714 -3.471 + 3791TIP3 OH217681 3.509 1.830 -3.690 + 3791TIP3 H117682 3.427 1.857 -3.734 + 3791TIP3 H217683 3.536 1.751 -3.740 + 3792TIP3 OH217684 3.872 1.865 -3.926 + 3792TIP3 H117685 3.967 1.881 -3.919 + 3792TIP3 H217686 3.843 1.925 -3.997 + 3793TIP3 OH217687 3.731 1.981 -4.157 + 3793TIP3 H117688 3.667 1.934 -4.213 + 3793TIP3 H217689 3.803 2.000 -4.219 + 3794TIP3 OH217690 3.581 2.462 -2.648 + 3794TIP3 H117691 3.650 2.471 -2.578 + 3794TIP3 H217692 3.501 2.463 -2.591 + 3795TIP3 OH217693 4.137 1.917 -3.414 + 3795TIP3 H117694 4.219 1.893 -3.460 + 3795TIP3 H217695 4.164 1.913 -3.321 + 3796TIP3 OH217696 3.684 1.604 -3.764 + 3796TIP3 H117697 3.627 1.527 -3.746 + 3796TIP3 H217698 3.767 1.562 -3.792 + 3797TIP3 OH217699 4.048 1.796 -3.144 + 3797TIP3 H117700 3.980 1.863 -3.161 + 3797TIP3 H217701 4.101 1.837 -3.073 + 3798TIP3 OH217702 4.071 2.428 -3.953 + 3798TIP3 H117703 3.991 2.387 -3.990 + 3798TIP3 H217704 4.048 2.443 -3.858 + 3799TIP3 OH217705 4.206 2.433 -2.832 + 3799TIP3 H117706 4.183 2.424 -2.740 + 3799TIP3 H217707 4.214 2.529 -2.845 + 3800TIP3 OH217708 3.577 2.385 -3.379 + 3800TIP3 H117709 3.635 2.376 -3.457 + 3800TIP3 H217710 3.591 2.299 -3.335 + 3801TIP3 OH217711 4.282 2.574 -4.050 + 3801TIP3 H117712 4.252 2.666 -4.035 + 3801TIP3 H217713 4.205 2.524 -4.018 + 3802TIP3 OH217714 3.303 2.214 -2.851 + 3802TIP3 H117715 3.321 2.168 -2.766 + 3802TIP3 H217716 3.244 2.153 -2.897 + 3803TIP3 OH217717 4.002 2.164 -2.650 + 3803TIP3 H117718 3.967 2.134 -2.736 + 3803TIP3 H217719 4.096 2.140 -2.659 + 3804TIP3 OH217720 3.814 2.715 -3.654 + 3804TIP3 H117721 3.856 2.802 -3.665 + 3804TIP3 H217722 3.721 2.738 -3.672 + 3805TIP3 OH217723 3.424 2.205 -4.200 + 3805TIP3 H117724 3.479 2.271 -4.153 + 3805TIP3 H217725 3.334 2.226 -4.167 + 3806TIP3 OH217726 3.994 2.482 -3.692 + 3806TIP3 H117727 3.970 2.575 -3.677 + 3806TIP3 H217728 3.922 2.436 -3.648 + 3807TIP3 OH217729 4.020 2.913 -3.050 + 3807TIP3 H117730 4.078 2.983 -3.087 + 3807TIP3 H217731 4.085 2.861 -3.001 + 3808TIP3 OH217732 3.856 3.005 -3.734 + 3808TIP3 H117733 3.758 3.013 -3.726 + 3808TIP3 H217734 3.885 3.094 -3.708 + 3809TIP3 OH217735 3.436 1.680 -2.890 + 3809TIP3 H117736 3.345 1.704 -2.917 + 3809TIP3 H217737 3.421 1.592 -2.850 + 3810TIP3 OH217738 3.410 2.861 -3.060 + 3810TIP3 H117739 3.443 2.772 -3.047 + 3810TIP3 H217740 3.436 2.903 -2.978 + 3811TIP3 OH217741 4.012 2.712 -4.333 + 3811TIP3 H117742 4.077 2.641 -4.348 + 3811TIP3 H217743 3.972 2.685 -4.248 + 3812TIP3 OH217744 3.883 2.666 -4.075 + 3812TIP3 H117745 3.931 2.618 -4.006 + 3812TIP3 H217746 3.898 2.759 -4.049 + 3813TIP3 OH217747 3.562 2.410 -4.036 + 3813TIP3 H117748 3.488 2.451 -3.987 + 3813TIP3 H217749 3.610 2.489 -4.065 + 3814TIP3 OH217750 4.339 1.707 -2.982 + 3814TIP3 H117751 4.381 1.628 -2.948 + 3814TIP3 H217752 4.274 1.669 -3.043 + 3815TIP3 OH217753 4.162 2.830 -4.028 + 3815TIP3 H117754 4.086 2.881 -3.999 + 3815TIP3 H217755 4.216 2.901 -4.067 + 3816TIP3 OH217756 4.139 1.791 -3.816 + 3816TIP3 H117757 4.198 1.865 -3.788 + 3816TIP3 H217758 4.100 1.773 -3.729 + 3817TIP3 OH217759 4.163 1.892 -2.895 + 3817TIP3 H117760 4.183 1.945 -2.817 + 3817TIP3 H217761 4.236 1.827 -2.898 + 3818TIP3 OH217762 4.194 1.502 -3.698 + 3818TIP3 H117763 4.164 1.580 -3.645 + 3818TIP3 H217764 4.272 1.539 -3.744 + 3819TIP3 OH217765 3.888 2.947 -4.026 + 3819TIP3 H117766 3.899 3.032 -4.072 + 3819TIP3 H217767 3.874 2.976 -3.934 + 3820TIP3 OH217768 3.770 1.616 -4.081 + 3820TIP3 H117769 3.761 1.688 -4.016 + 3820TIP3 H217770 3.844 1.565 -4.044 + 3821TIP3 OH217771 3.604 2.702 -4.157 + 3821TIP3 H117772 3.682 2.738 -4.112 + 3821TIP3 H217773 3.646 2.654 -4.229 + 3822TIP3 OH217774 3.433 1.923 -4.257 + 3822TIP3 H117775 3.445 2.018 -4.240 + 3822TIP3 H217776 3.341 1.921 -4.291 + 3823TIP3 OH217777 3.517 1.418 -3.371 + 3823TIP3 H117778 3.498 1.416 -3.467 + 3823TIP3 H217779 3.483 1.332 -3.340 + 3824TIP3 OH217780 3.396 2.765 -3.756 + 3824TIP3 H117781 3.334 2.826 -3.714 + 3824TIP3 H217782 3.461 2.826 -3.793 + 3825TIP3 OH217783 3.345 3.059 -2.628 + 3825TIP3 H117784 3.404 3.031 -2.555 + 3825TIP3 H217785 3.307 2.974 -2.657 + 3826TIP3 OH217786 3.814 2.966 -2.451 + 3826TIP3 H117787 3.882 2.899 -2.429 + 3826TIP3 H217788 3.790 2.938 -2.541 + 3827TIP3 OH217789 4.224 2.900 -4.338 + 3827TIP3 H117790 4.150 2.837 -4.329 + 3827TIP3 H217791 4.297 2.842 -4.363 + 3828TIP3 OH217792 3.339 2.420 -2.515 + 3828TIP3 H117793 3.351 2.331 -2.553 + 3828TIP3 H217794 3.264 2.453 -2.569 + 3829TIP3 OH217795 3.765 2.460 -4.315 + 3829TIP3 H117796 3.792 2.414 -4.234 + 3829TIP3 H217797 3.848 2.467 -4.366 + 3830TIP3 OH217798 4.007 2.443 -2.584 + 3830TIP3 H117799 3.979 2.476 -2.671 + 3830TIP3 H217800 4.015 2.346 -2.599 + 3831TIP3 OH217801 4.272 2.576 -4.350 + 3831TIP3 H117802 4.323 2.613 -4.275 + 3831TIP3 H217803 4.333 2.509 -4.383 + 3832TIP3 OH217804 3.426 2.133 -2.599 + 3832TIP3 H117805 3.501 2.072 -2.600 + 3832TIP3 H217806 3.423 2.157 -2.505 + 3833TIP3 OH217807 3.866 2.273 -4.093 + 3833TIP3 H117808 3.806 2.228 -4.031 + 3833TIP3 H217809 3.901 2.197 -4.144 + 3834TIP3 OH217810 3.795 2.052 -2.854 + 3834TIP3 H117811 3.739 2.130 -2.837 + 3834TIP3 H217812 3.853 2.085 -2.925 + 3835TIP3 OH217813 4.000 2.063 -4.269 + 3835TIP3 H117814 3.979 2.076 -4.363 + 3835TIP3 H217815 4.090 2.097 -4.260 + 3836TIP3 OH217816 4.283 2.298 -2.484 + 3836TIP3 H117817 4.353 2.267 -2.543 + 3836TIP3 H217818 4.267 2.217 -2.433 + 3837TIP3 OH217819 3.856 1.780 -2.740 + 3837TIP3 H117820 3.862 1.714 -2.812 + 3837TIP3 H217821 3.838 1.861 -2.791 + 3838TIP3 OH217822 3.886 1.623 -2.998 + 3838TIP3 H117823 3.937 1.681 -3.059 + 3838TIP3 H217824 3.795 1.628 -3.033 + 3839TIP3 OH217825 4.066 2.163 -2.966 + 3839TIP3 H117826 4.136 2.163 -3.033 + 3839TIP3 H217827 4.029 2.252 -2.978 + 3840TIP3 OH217828 3.673 1.961 -2.561 + 3840TIP3 H117829 3.620 1.879 -2.564 + 3840TIP3 H217830 3.754 1.933 -2.607 + 3841TIP3 OH217831 3.972 1.362 -2.962 + 3841TIP3 H117832 3.948 1.455 -2.979 + 3841TIP3 H217833 3.905 1.315 -3.016 + 3842TIP3 OH217834 4.103 1.807 -2.586 + 3842TIP3 H117835 4.062 1.782 -2.501 + 3842TIP3 H217836 4.030 1.785 -2.646 + 3843TIP3 OH217837 3.538 1.709 -2.579 + 3843TIP3 H117838 3.532 1.638 -2.645 + 3843TIP3 H217839 3.518 1.661 -2.497 + 3844TIP3 OH217840 3.945 1.309 -2.679 + 3844TIP3 H117841 4.003 1.232 -2.673 + 3844TIP3 H217842 3.942 1.324 -2.775 + 3845TIP3 OH217843 4.036 1.489 -2.486 + 3845TIP3 H117844 4.006 1.433 -2.560 + 3845TIP3 H217845 3.972 1.562 -2.487 + 3846TIP3 OH217846 3.960 3.193 -4.175 + 3846TIP3 H117847 4.053 3.212 -4.159 + 3846TIP3 H217848 3.935 3.261 -4.240 + 3847TIP3 OH217849 3.331 2.605 -4.200 + 3847TIP3 H117850 3.422 2.641 -4.194 + 3847TIP3 H217851 3.336 2.548 -4.278 + 3848TIP3 OH217852 3.251 3.136 -3.753 + 3848TIP3 H117853 3.158 3.112 -3.771 + 3848TIP3 H217854 3.263 3.105 -3.661 + 3849TIP3 OH217855 3.275 2.958 -3.517 + 3849TIP3 H117856 3.251 2.874 -3.475 + 3849TIP3 H217857 3.305 3.008 -3.439 + 3850TIP3 OH217858 3.280 2.291 -3.280 + 3850TIP3 H117859 3.305 2.299 -3.373 + 3850TIP3 H217860 3.368 2.271 -3.240 + 3851TIP3 OH217861 3.273 1.828 -2.638 + 3851TIP3 H117862 3.366 1.801 -2.637 + 3851TIP3 H217863 3.228 1.741 -2.633 + 3852TIP3 OH217864 3.349 1.661 -3.360 + 3852TIP3 H117865 3.395 1.576 -3.351 + 3852TIP3 H217866 3.417 1.722 -3.325 + 3853TIP3 OH217867 3.204 1.929 -3.254 + 3853TIP3 H117868 3.261 1.925 -3.333 + 3853TIP3 H217869 3.240 2.006 -3.209 + 3854TIP3 OH217870 3.252 1.564 -3.852 + 3854TIP3 H117871 3.157 1.565 -3.871 + 3854TIP3 H217872 3.289 1.623 -3.920 + 3855TIP3 OH217873 3.257 1.453 -3.033 + 3855TIP3 H117874 3.186 1.423 -2.975 + 3855TIP3 H217875 3.207 1.503 -3.100 + 3856TIP3 OH217876 3.456 2.757 -2.567 + 3856TIP3 H117877 3.383 2.759 -2.631 + 3856TIP3 H217878 3.409 2.757 -2.482 + 3857TIP3 OH217879 3.741 2.859 -2.999 + 3857TIP3 H117880 3.710 2.944 -3.033 + 3857TIP3 H217881 3.837 2.869 -3.016 + 3858TIP3 OH217882 4.219 3.023 -2.710 + 3858TIP3 H117883 4.205 2.985 -2.621 + 3858TIP3 H217884 4.314 3.043 -2.704 + 3859TIP3 OH217885 3.480 3.154 -2.961 + 3859TIP3 H117886 3.422 3.213 -3.013 + 3859TIP3 H217887 3.438 3.160 -2.875 + 3860TIP3 OH217888 3.738 3.139 -3.103 + 3860TIP3 H117889 3.649 3.151 -3.065 + 3860TIP3 H217890 3.731 3.190 -3.186 + 3861TIP3 OH217891 4.196 3.108 -3.156 + 3861TIP3 H117892 4.172 3.160 -3.234 + 3861TIP3 H217893 4.253 3.168 -3.107 + 3862TIP3 OH217894 3.437 3.070 -3.272 + 3862TIP3 H117895 3.443 3.007 -3.198 + 3862TIP3 H217896 3.509 3.040 -3.330 + 3863TIP3 OH217897 3.631 2.913 -3.423 + 3863TIP3 H117898 3.616 2.819 -3.401 + 3863TIP3 H217899 3.724 2.926 -3.397 + 3864TIP3 OH217900 3.914 2.960 -3.340 + 3864TIP3 H117901 3.933 2.868 -3.364 + 3864TIP3 H217902 3.920 2.955 -3.243 + 3865TIP3 OH217903 4.270 1.506 -3.404 + 3865TIP3 H117904 4.182 1.465 -3.394 + 3865TIP3 H217905 4.294 1.476 -3.492 + 3866TIP3 OH217906 3.483 1.416 -3.654 + 3866TIP3 H117907 3.395 1.404 -3.697 + 3866TIP3 H217908 3.523 1.329 -3.668 + 3867TIP3 OH217909 3.360 1.372 -4.082 + 3867TIP3 H117910 3.418 1.437 -4.127 + 3867TIP3 H217911 3.325 1.424 -4.008 + 3868TIP3 OH217912 3.933 1.397 -3.665 + 3868TIP3 H117913 4.025 1.429 -3.672 + 3868TIP3 H217914 3.924 1.390 -3.569 + 3869TIP3 OH217915 3.374 2.966 -3.983 + 3869TIP3 H117916 3.293 2.967 -4.035 + 3869TIP3 H217917 3.362 3.043 -3.926 + 3870TIP3 OH217918 3.527 1.543 -4.231 + 3870TIP3 H117919 3.585 1.485 -4.283 + 3870TIP3 H217920 3.592 1.595 -4.181 + 3871TIP3 OH217921 4.062 1.561 -3.965 + 3871TIP3 H117922 4.067 1.506 -3.886 + 3871TIP3 H217923 4.059 1.650 -3.926 + 3872TIP3 OH217924 4.261 3.068 -4.123 + 3872TIP3 H117925 4.317 3.146 -4.149 + 3872TIP3 H217926 4.244 3.031 -4.213 + 3873TIP3 OH217927 3.460 1.439 -2.699 + 3873TIP3 H117928 3.420 1.357 -2.665 + 3873TIP3 H217929 3.553 1.426 -2.673 + 3874TIP3 OH217930 3.698 1.377 -2.527 + 3874TIP3 H117931 3.781 1.342 -2.566 + 3874TIP3 H217932 3.663 1.298 -2.484 + 3875TIP3 OH217933 3.567 3.068 -4.231 + 3875TIP3 H117934 3.525 3.090 -4.146 + 3875TIP3 H217935 3.634 3.004 -4.206 + 3876TIP3 OH217936 -3.158 4.203 -3.646 + 3876TIP3 H117937 -3.188 4.295 -3.645 + 3876TIP3 H217938 -3.231 4.160 -3.693 + 3877TIP3 OH217939 -3.281 4.133 -3.317 + 3877TIP3 H117940 -3.275 4.080 -3.236 + 3877TIP3 H217941 -3.303 4.067 -3.384 + 3878TIP3 OH217942 -4.023 4.077 -3.161 + 3878TIP3 H117943 -4.035 4.008 -3.094 + 3878TIP3 H217944 -3.965 4.138 -3.114 + 3879TIP3 OH217945 -4.200 3.931 -3.847 + 3879TIP3 H117946 -4.244 4.010 -3.813 + 3879TIP3 H217947 -4.268 3.888 -3.901 + 3880TIP3 OH217948 -4.199 4.123 -3.595 + 3880TIP3 H117949 -4.192 4.052 -3.529 + 3880TIP3 H217950 -4.106 4.139 -3.613 + 3881TIP3 OH217951 -2.560 3.523 -3.199 + 3881TIP3 H117952 -2.535 3.584 -3.128 + 3881TIP3 H217953 -2.498 3.551 -3.270 + 3882TIP3 OH217954 -3.096 3.804 -3.212 + 3882TIP3 H117955 -3.082 3.708 -3.207 + 3882TIP3 H217956 -3.105 3.817 -3.307 + 3883TIP3 OH217957 -3.800 3.605 -3.505 + 3883TIP3 H117958 -3.786 3.690 -3.551 + 3883TIP3 H217959 -3.833 3.551 -3.580 + 3884TIP3 OH217960 -3.016 3.621 -3.674 + 3884TIP3 H117961 -2.958 3.578 -3.608 + 3884TIP3 H217962 -2.949 3.665 -3.729 + 3885TIP3 OH217963 -4.141 3.877 -3.452 + 3885TIP3 H117964 -4.077 3.839 -3.389 + 3885TIP3 H217965 -4.120 3.825 -3.532 + 3886TIP3 OH217966 -3.589 4.017 -3.506 + 3886TIP3 H117967 -3.522 3.959 -3.467 + 3886TIP3 H217968 -3.644 3.953 -3.554 + 3887TIP3 OH217969 -2.488 3.659 -2.951 + 3887TIP3 H117970 -2.546 3.732 -2.980 + 3887TIP3 H217971 -2.507 3.658 -2.856 + 3888TIP3 OH217972 -3.918 3.487 -3.088 + 3888TIP3 H117973 -3.963 3.531 -3.161 + 3888TIP3 H217974 -3.981 3.504 -3.014 + 3889TIP3 OH217975 -3.648 4.268 -3.109 + 3889TIP3 H117976 -3.728 4.323 -3.108 + 3889TIP3 H217977 -3.581 4.337 -3.119 + 3890TIP3 OH217978 -2.832 3.547 -3.470 + 3890TIP3 H117979 -2.871 3.488 -3.404 + 3890TIP3 H217980 -2.780 3.607 -3.414 + 3891TIP3 OH217981 -3.958 3.692 -3.297 + 3891TIP3 H117982 -3.894 3.749 -3.250 + 3891TIP3 H217983 -3.901 3.655 -3.367 + 3892TIP3 OH217984 -2.818 3.460 -3.085 + 3892TIP3 H117985 -2.895 3.501 -3.130 + 3892TIP3 H217986 -2.745 3.481 -3.147 + 3893TIP3 OH217987 -3.505 3.233 -3.380 + 3893TIP3 H117988 -3.528 3.138 -3.385 + 3893TIP3 H217989 -3.588 3.271 -3.343 + 3894TIP3 OH217990 -3.303 4.141 -3.909 + 3894TIP3 H117991 -3.368 4.181 -3.968 + 3894TIP3 H217992 -3.226 4.135 -3.968 + 3895TIP3 OH217993 -3.272 3.949 -4.201 + 3895TIP3 H117994 -3.200 3.981 -4.144 + 3895TIP3 H217995 -3.222 3.889 -4.260 + 3896TIP3 OH217996 -2.556 4.055 -3.081 + 3896TIP3 H117997 -2.620 4.128 -3.067 + 3896TIP3 H217998 -2.504 4.094 -3.155 + 3897TIP3 OH217999 -2.937 4.140 -3.807 + 3897TIP3 H118000 -3.002 4.161 -3.738 + 3897TIP3 H218001 -2.870 4.089 -3.757 + 3898TIP3 OH218002 -2.963 3.980 -2.912 + 3898TIP3 H118003 -2.959 4.057 -2.852 + 3898TIP3 H218004 -3.018 4.018 -2.983 + 3899TIP3 OH218005 -3.774 4.216 -3.614 + 3899TIP3 H118006 -3.802 4.182 -3.701 + 3899TIP3 H218007 -3.704 4.153 -3.589 + 3900TIP3 OH218008 -3.732 4.076 -3.275 + 3900TIP3 H118009 -3.670 4.076 -3.351 + 3900TIP3 H218010 -3.696 4.145 -3.217 + 3901TIP3 OH218011 -3.039 4.078 -4.056 + 3901TIP3 H118012 -2.988 4.102 -3.975 + 3901TIP3 H218013 -2.978 4.109 -4.126 + 3902TIP3 OH218014 -3.957 4.144 -2.874 + 3902TIP3 H118015 -3.949 4.202 -2.795 + 3902TIP3 H218016 -4.047 4.169 -2.904 + 3903TIP3 OH218017 -2.693 3.237 -4.075 + 3903TIP3 H118018 -2.789 3.248 -4.057 + 3903TIP3 H218019 -2.669 3.327 -4.102 + 3904TIP3 OH218020 -3.896 4.084 -3.861 + 3904TIP3 H118021 -3.916 4.163 -3.916 + 3904TIP3 H218022 -3.966 4.023 -3.888 + 3905TIP3 OH218023 -4.201 4.274 -2.997 + 3905TIP3 H118024 -4.256 4.317 -3.064 + 3905TIP3 H218025 -4.265 4.243 -2.931 + 3906TIP3 OH218026 -2.765 3.837 -2.678 + 3906TIP3 H118027 -2.814 3.875 -2.752 + 3906TIP3 H218028 -2.759 3.743 -2.705 + 3907TIP3 OH218029 -3.749 3.347 -3.289 + 3907TIP3 H118030 -3.831 3.340 -3.340 + 3907TIP3 H218031 -3.771 3.422 -3.231 + 3908TIP3 OH218032 -3.311 3.306 -2.924 + 3908TIP3 H118033 -3.258 3.254 -2.861 + 3908TIP3 H218034 -3.401 3.272 -2.911 + 3909TIP3 OH218035 -2.995 3.685 -2.873 + 3909TIP3 H118036 -3.055 3.671 -2.798 + 3909TIP3 H218037 -3.001 3.781 -2.889 + 3910TIP3 OH218038 -2.841 4.146 -4.251 + 3910TIP3 H118039 -2.858 4.154 -4.346 + 3910TIP3 H218040 -2.794 4.229 -4.233 + 3911TIP3 OH218041 -3.327 3.544 -4.215 + 3911TIP3 H118042 -3.385 3.550 -4.139 + 3911TIP3 H218043 -3.373 3.478 -4.268 + 3912TIP3 OH218044 -3.761 3.827 -3.147 + 3912TIP3 H118045 -3.821 3.839 -3.072 + 3912TIP3 H218046 -3.755 3.918 -3.185 + 3913TIP3 OH218047 -3.770 3.832 -3.661 + 3913TIP3 H118048 -3.865 3.830 -3.680 + 3913TIP3 H218049 -3.734 3.817 -3.751 + 3914TIP3 OH218050 -3.198 3.896 -3.784 + 3914TIP3 H118051 -3.245 3.972 -3.823 + 3914TIP3 H218052 -3.135 3.872 -3.855 + 3915TIP3 OH218053 -3.288 3.921 -2.639 + 3915TIP3 H118054 -3.337 3.843 -2.607 + 3915TIP3 H218055 -3.198 3.905 -2.602 + 3916TIP3 OH218056 -3.123 3.829 -3.507 + 3916TIP3 H118057 -3.147 3.884 -3.584 + 3916TIP3 H218058 -3.099 3.747 -3.554 + 3917TIP3 OH218059 -4.028 3.843 -2.964 + 3917TIP3 H118060 -3.996 3.884 -2.883 + 3917TIP3 H218061 -4.050 3.753 -2.935 + 3918TIP3 OH218062 -3.649 3.586 -4.302 + 3918TIP3 H118063 -3.697 3.552 -4.225 + 3918TIP3 H218064 -3.721 3.635 -4.348 + 3919TIP3 OH218065 -4.335 3.599 -3.606 + 3919TIP3 H118066 -4.308 3.577 -3.515 + 3919TIP3 H218067 -4.279 3.541 -3.660 + 3920TIP3 OH218068 -4.209 3.683 -4.020 + 3920TIP3 H118069 -4.151 3.661 -4.094 + 3920TIP3 H218070 -4.297 3.671 -4.057 + 3921TIP3 OH218071 -3.226 3.997 -3.062 + 3921TIP3 H118072 -3.171 3.930 -3.110 + 3921TIP3 H218073 -3.251 3.946 -2.983 + 3922TIP3 OH218074 -3.490 3.594 -3.557 + 3922TIP3 H118075 -3.584 3.590 -3.534 + 3922TIP3 H218076 -3.448 3.575 -3.471 + 3923TIP3 OH218077 -4.047 3.715 -3.691 + 3923TIP3 H118078 -4.111 3.739 -3.760 + 3923TIP3 H218079 -4.004 3.636 -3.730 + 3924TIP3 OH218080 -3.673 3.755 -3.923 + 3924TIP3 H118081 -3.576 3.761 -3.918 + 3924TIP3 H218082 -3.697 3.813 -3.997 + 3925TIP3 OH218083 -3.052 3.507 -3.255 + 3925TIP3 H118084 -3.116 3.508 -3.181 + 3925TIP3 H218085 -3.110 3.474 -3.326 + 3926TIP3 OH218086 -3.815 3.870 -4.160 + 3926TIP3 H118087 -3.870 3.815 -4.219 + 3926TIP3 H218088 -3.739 3.887 -4.217 + 3927TIP3 OH218089 -3.956 4.306 -2.659 + 3927TIP3 H118090 -3.889 4.354 -2.608 + 3927TIP3 H218091 -4.035 4.321 -2.602 + 3928TIP3 OH218092 -3.391 3.849 -3.376 + 3928TIP3 H118093 -3.314 3.808 -3.420 + 3928TIP3 H218094 -3.403 3.789 -3.299 + 3929TIP3 OH218095 -3.870 3.485 -3.750 + 3929TIP3 H118096 -3.915 3.400 -3.751 + 3929TIP3 H218097 -3.791 3.465 -3.802 + 3930TIP3 OH218098 -3.492 3.693 -3.151 + 3930TIP3 H118099 -3.569 3.753 -3.149 + 3930TIP3 H218100 -3.442 3.720 -3.072 + 3931TIP3 OH218101 -3.513 4.362 -3.941 + 3931TIP3 H118102 -3.560 4.295 -3.994 + 3931TIP3 H218103 -3.473 4.312 -3.870 + 3932TIP3 OH218104 -2.732 4.266 -3.093 + 3932TIP3 H118105 -2.705 4.311 -3.175 + 3932TIP3 H218106 -2.827 4.256 -3.113 + 3933TIP3 OH218107 -3.062 3.610 -4.182 + 3933TIP3 H118108 -3.160 3.608 -4.186 + 3933TIP3 H218109 -3.042 3.687 -4.125 + 3934TIP3 OH218110 -3.001 3.796 -3.984 + 3934TIP3 H118111 -2.914 3.776 -3.945 + 3934TIP3 H218112 -2.984 3.880 -4.030 + 3935TIP3 OH218113 -3.972 4.219 -3.421 + 3935TIP3 H118114 -3.889 4.232 -3.470 + 3935TIP3 H218115 -3.944 4.162 -3.347 + 3936TIP3 OH218116 -4.290 4.105 -2.805 + 3936TIP3 H118117 -4.234 4.050 -2.747 + 3936TIP3 H218118 -4.295 4.051 -2.887 + 3937TIP3 OH218119 -3.542 4.049 -2.651 + 3937TIP3 H118120 -3.575 4.027 -2.740 + 3937TIP3 H218121 -3.447 4.027 -2.661 + 3938TIP3 OH218122 -2.529 3.806 -3.998 + 3938TIP3 H118123 -2.591 3.786 -4.071 + 3938TIP3 H218124 -2.517 3.900 -4.017 + 3939TIP3 OH218125 -2.989 4.182 -3.227 + 3939TIP3 H118126 -3.080 4.181 -3.259 + 3939TIP3 H218127 -2.941 4.134 -3.296 + 3940TIP3 OH218128 -4.153 4.084 -4.160 + 3940TIP3 H118129 -4.080 4.145 -4.145 + 3940TIP3 H218130 -4.223 4.145 -4.186 + 3941TIP3 OH218131 -4.100 3.572 -2.887 + 3941TIP3 H118132 -4.186 3.612 -2.910 + 3941TIP3 H218133 -4.123 3.487 -2.846 + 3942TIP3 OH218134 -3.961 -4.395 -4.009 + 3942TIP3 H118135 -4.053 -4.361 -4.014 + 3942TIP3 H218136 -3.912 -4.320 -4.046 + 3943TIP3 OH218137 -3.211 3.549 -3.035 + 3943TIP3 H118138 -3.148 3.576 -2.966 + 3943TIP3 H218139 -3.259 3.475 -2.993 + 3944TIP3 OH218140 -3.150 3.503 -3.920 + 3944TIP3 H118141 -3.119 3.551 -3.999 + 3944TIP3 H218142 -3.097 3.544 -3.850 + 3945TIP3 OH218143 -3.406 3.696 -3.814 + 3945TIP3 H118144 -3.325 3.749 -3.799 + 3945TIP3 H218145 -3.434 3.677 -3.723 + 3946TIP3 OH218146 -3.367 3.791 -2.897 + 3946TIP3 H118147 -3.360 3.840 -2.813 + 3946TIP3 H218148 -3.316 3.711 -2.876 + 3947TIP3 OH218149 -3.342 3.396 -3.724 + 3947TIP3 H118150 -3.362 3.464 -3.657 + 3947TIP3 H218151 -3.271 3.439 -3.775 + 3948TIP3 OH218152 -3.772 3.496 -4.062 + 3948TIP3 H118153 -3.768 3.580 -4.014 + 3948TIP3 H218154 -3.688 3.453 -4.037 + 3949TIP3 OH218155 -2.741 3.584 -2.809 + 3949TIP3 H118156 -2.837 3.597 -2.826 + 3949TIP3 H218157 -2.714 3.563 -2.900 + 3950TIP3 OH218158 -2.888 3.967 -3.415 + 3950TIP3 H118159 -2.972 3.921 -3.434 + 3950TIP3 H218160 -2.840 3.900 -3.362 + 3951TIP3 OH218161 -4.097 3.823 -4.292 + 3951TIP3 H118162 -4.098 3.896 -4.228 + 3951TIP3 H218163 -4.185 3.784 -4.282 + 3952TIP3 OH218164 -4.028 3.296 -3.373 + 3952TIP3 H118165 -4.057 3.293 -3.466 + 3952TIP3 H218166 -4.069 3.215 -3.336 + 3953TIP3 OH218167 -4.199 4.346 -2.549 + 3953TIP3 H118168 -4.194 4.249 -2.546 + 3953TIP3 H218169 -4.294 4.361 -2.533 + 3954TIP3 OH218170 -3.588 4.329 -2.612 + 3954TIP3 H118171 -3.584 4.346 -2.708 + 3954TIP3 H218172 -3.551 4.238 -2.608 + 3955TIP3 OH218173 -2.985 -4.376 -2.838 + 3955TIP3 H118174 -2.905 -4.333 -2.872 + 3955TIP3 H218175 -3.052 -4.309 -2.856 + 3956TIP3 OH218176 -4.133 4.019 -2.585 + 3956TIP3 H118177 -4.052 3.967 -2.597 + 3956TIP3 H218178 -4.128 4.039 -2.491 + 3957TIP3 OH218179 -3.656 4.156 -4.082 + 3957TIP3 H118180 -3.730 4.122 -4.030 + 3957TIP3 H218181 -3.641 4.084 -4.146 + 3958TIP3 OH218182 -3.748 3.933 -2.854 + 3958TIP3 H118183 -3.805 4.010 -2.836 + 3958TIP3 H218184 -3.684 3.970 -2.917 + 3959TIP3 OH218185 -3.555 3.967 -4.278 + 3959TIP3 H118186 -3.549 3.942 -4.371 + 3959TIP3 H218187 -3.460 3.969 -4.254 + 3960TIP3 OH218188 -3.220 4.215 -2.500 + 3960TIP3 H118189 -3.131 4.197 -2.534 + 3960TIP3 H218190 -3.251 4.129 -2.473 + 3961TIP3 OH218191 -3.692 3.662 -2.741 + 3961TIP3 H118192 -3.683 3.597 -2.813 + 3961TIP3 H218193 -3.711 3.744 -2.790 + 3962TIP3 OH218194 -3.656 3.511 -2.996 + 3962TIP3 H118195 -3.604 3.562 -3.061 + 3962TIP3 H218196 -3.747 3.514 -3.033 + 3963TIP3 OH218197 -3.507 4.066 -2.966 + 3963TIP3 H118198 -3.423 4.054 -3.013 + 3963TIP3 H218199 -3.541 4.148 -3.007 + 3964TIP3 OH218200 -3.043 3.849 -2.478 + 3964TIP3 H118201 -3.021 3.755 -2.467 + 3964TIP3 H218202 -2.954 3.888 -2.484 + 3965TIP3 OH218203 -2.948 4.136 -2.644 + 3965TIP3 H118204 -2.971 4.208 -2.707 + 3965TIP3 H218205 -2.856 4.118 -2.671 + 3966TIP3 OH218206 -3.881 3.854 -2.565 + 3966TIP3 H118207 -3.931 3.771 -2.564 + 3966TIP3 H218208 -3.798 3.828 -2.607 + 3967TIP3 OH218209 -3.586 3.243 -2.961 + 3967TIP3 H118210 -3.602 3.338 -2.978 + 3967TIP3 H218211 -3.656 3.201 -3.015 + 3968TIP3 OH218212 -3.458 3.701 -2.583 + 3968TIP3 H118213 -3.492 3.681 -2.494 + 3968TIP3 H218214 -3.538 3.681 -2.636 + 3969TIP3 OH218215 -3.205 3.607 -2.696 + 3969TIP3 H118216 -3.293 3.611 -2.654 + 3969TIP3 H218217 -3.159 3.543 -2.638 + 3970TIP3 OH218218 -3.021 3.454 -2.524 + 3970TIP3 H118219 -3.036 3.359 -2.507 + 3970TIP3 H218220 -3.038 3.494 -2.437 + 3971TIP3 OH218221 -4.017 3.598 -2.580 + 3971TIP3 H118222 -4.016 3.524 -2.644 + 3971TIP3 H218223 -4.032 3.551 -2.496 + 3972TIP3 OH218224 -3.601 3.192 -2.680 + 3972TIP3 H118225 -3.542 3.115 -2.675 + 3972TIP3 H218226 -3.604 3.207 -2.777 + 3973TIP3 OH218227 -3.507 3.378 -2.494 + 3973TIP3 H118228 -3.536 3.319 -2.567 + 3973TIP3 H218229 -3.575 3.446 -2.493 + 3974TIP3 OH218230 -2.566 4.365 -3.891 + 3974TIP3 H118231 -2.472 4.364 -3.911 + 3974TIP3 H218232 -2.582 4.278 -3.851 + 3975TIP3 OH218233 -2.532 4.131 -3.733 + 3975TIP3 H118234 -2.608 4.087 -3.691 + 3975TIP3 H218235 -2.473 4.150 -3.657 + 3976TIP3 OH218236 -2.514 4.106 -4.106 + 3976TIP3 H118237 -2.576 4.139 -4.173 + 3976TIP3 H218238 -2.527 4.172 -4.037 + 3977TIP3 OH218239 -2.690 3.848 -4.212 + 3977TIP3 H118240 -2.663 3.920 -4.271 + 3977TIP3 H218241 -2.658 3.770 -4.259 + 3978TIP3 OH218242 -2.758 3.966 -3.658 + 3978TIP3 H118243 -2.760 3.870 -3.672 + 3978TIP3 H218244 -2.793 3.973 -3.566 + 3979TIP3 OH218245 -4.264 4.191 -3.274 + 3979TIP3 H118246 -4.226 4.188 -3.363 + 3979TIP3 H218247 -4.188 4.166 -3.219 + 3980TIP3 OH218248 -2.673 4.161 -2.734 + 3980TIP3 H118249 -2.600 4.100 -2.710 + 3980TIP3 H218250 -2.628 4.244 -2.761 + 3981TIP3 OH218251 -2.530 3.965 -2.619 + 3981TIP3 H118252 -2.610 3.912 -2.637 + 3981TIP3 H218253 -2.461 3.897 -2.616 + 3982TIP3 OH218254 -2.768 3.547 -4.323 + 3982TIP3 H118255 -2.708 3.502 -4.261 + 3982TIP3 H218256 -2.849 3.493 -4.320 + 3983TIP3 OH218257 -2.766 3.710 -3.836 + 3983TIP3 H118258 -2.740 3.615 -3.828 + 3983TIP3 H218259 -2.685 3.747 -3.873 + 3984TIP3 OH218260 -2.737 3.768 -3.289 + 3984TIP3 H118261 -2.639 3.779 -3.291 + 3984TIP3 H218262 -2.751 3.771 -3.193 + 3985TIP3 OH218263 -2.720 3.838 -3.005 + 3985TIP3 H118264 -2.806 3.876 -2.982 + 3985TIP3 H218265 -2.668 3.917 -3.030 + 3986TIP3 OH218266 -4.288 3.706 -2.654 + 3986TIP3 H118267 -4.199 3.669 -2.645 + 3986TIP3 H218268 -4.346 3.634 -2.626 + 3987TIP3 OH218269 -2.465 3.251 -2.478 + 3987TIP3 H118270 -2.422 3.184 -2.534 + 3987TIP3 H218271 -2.462 3.330 -2.536 + 3988TIP3 OH218272 -2.716 3.434 -3.831 + 3988TIP3 H118273 -2.701 3.397 -3.742 + 3988TIP3 H218274 -2.790 3.380 -3.862 + 3989TIP3 OH218275 -4.197 3.555 -3.324 + 3989TIP3 H118276 -4.160 3.466 -3.332 + 3989TIP3 H218277 -4.117 3.609 -3.314 + 3990TIP3 OH218278 -4.357 3.826 -3.264 + 3990TIP3 H118279 -4.312 3.765 -3.324 + 3990TIP3 H218280 -4.306 3.907 -3.279 + 3991TIP3 OH218281 -2.526 3.457 -2.653 + 3991TIP3 H118282 -2.614 3.500 -2.649 + 3991TIP3 H218283 -2.537 3.403 -2.733 + 3992TIP3 OH218284 -2.513 3.472 -4.176 + 3992TIP3 H118285 -2.485 3.401 -4.233 + 3992TIP3 H218286 -2.431 3.523 -4.167 + 3993TIP3 OH218287 -4.313 3.437 -3.873 + 3993TIP3 H118288 -4.386 3.436 -3.937 + 3993TIP3 H218289 -4.241 3.461 -3.934 + 3994TIP3 OH218290 -4.290 3.330 -3.056 + 3994TIP3 H118291 -4.358 3.319 -2.986 + 3994TIP3 H218292 -4.337 3.372 -3.129 + 3995TIP3 OH218293 -2.640 3.280 -2.854 + 3995TIP3 H118294 -2.720 3.301 -2.907 + 3995TIP3 H218295 -2.618 3.191 -2.888 + 3996TIP3 OH218296 -3.297 3.430 -3.409 + 3996TIP3 H118297 -3.366 3.362 -3.395 + 3996TIP3 H218298 -3.236 3.384 -3.469 + 3997TIP3 OH218299 -2.802 3.232 -3.363 + 3997TIP3 H118300 -2.726 3.276 -3.403 + 3997TIP3 H218301 -2.876 3.263 -3.418 + 3998TIP3 OH218302 -2.595 3.342 -3.578 + 3998TIP3 H118303 -2.522 3.300 -3.626 + 3998TIP3 H218304 -2.562 3.434 -3.567 + 3999TIP3 OH218305 -4.106 3.286 -3.649 + 3999TIP3 H118306 -4.176 3.271 -3.713 + 3999TIP3 H218307 -4.046 3.211 -3.666 + 4000TIP3 OH218308 -3.614 3.282 -3.665 + 4000TIP3 H118309 -3.523 3.314 -3.679 + 4000TIP3 H218310 -3.616 3.275 -3.569 + 4001TIP3 OH218311 -3.054 3.288 -3.524 + 4001TIP3 H118312 -3.030 3.274 -3.617 + 4001TIP3 H218313 -3.093 3.202 -3.500 + 4002TIP3 OH218314 -2.950 3.286 -3.919 + 4002TIP3 H118315 -3.028 3.334 -3.952 + 4002TIP3 H218316 -2.983 3.195 -3.918 + 4003TIP3 OH218317 -3.976 3.463 -4.267 + 4003TIP3 H118318 -3.991 3.368 -4.275 + 4003TIP3 H218319 -3.946 3.471 -4.176 + 4004TIP3 OH218320 -3.504 3.447 -3.959 + 4004TIP3 H118321 -3.464 3.394 -3.889 + 4004TIP3 H218322 -3.478 3.536 -3.929 + 4005TIP3 OH218323 -4.079 3.327 -2.703 + 4005TIP3 H118324 -4.124 3.251 -2.662 + 4005TIP3 H218325 -3.988 3.312 -2.673 + 4006TIP3 OH218326 -3.844 3.264 -2.527 + 4006TIP3 H118327 -3.762 3.229 -2.567 + 4006TIP3 H218328 -3.878 3.185 -2.482 + 4007TIP3 OH218329 -3.031 3.174 -2.510 + 4007TIP3 H118330 -3.026 3.133 -2.421 + 4007TIP3 H218331 -2.937 3.171 -2.537 + 4008TIP3 OH218332 -1.272 4.204 -3.647 + 4008TIP3 H118333 -1.304 4.295 -3.646 + 4008TIP3 H218334 -1.345 4.160 -3.692 + 4009TIP3 OH218335 -1.393 4.132 -3.317 + 4009TIP3 H118336 -1.390 4.080 -3.236 + 4009TIP3 H218337 -1.418 4.067 -3.383 + 4010TIP3 OH218338 -2.149 4.083 -3.156 + 4010TIP3 H118339 -2.151 4.007 -3.095 + 4010TIP3 H218340 -2.074 4.132 -3.120 + 4011TIP3 OH218341 -2.378 3.885 -3.762 + 4011TIP3 H118342 -2.422 3.972 -3.755 + 4011TIP3 H218343 -2.445 3.833 -3.807 + 4012TIP3 OH218344 -2.285 4.135 -3.578 + 4012TIP3 H118345 -2.285 4.055 -3.522 + 4012TIP3 H218346 -2.204 4.119 -3.628 + 4013TIP3 OH218347 -0.672 3.521 -3.198 + 4013TIP3 H118348 -0.651 3.585 -3.129 + 4013TIP3 H218349 -0.613 3.552 -3.270 + 4014TIP3 OH218350 -1.208 3.804 -3.212 + 4014TIP3 H118351 -1.198 3.708 -3.206 + 4014TIP3 H218352 -1.221 3.817 -3.307 + 4015TIP3 OH218353 -1.916 3.606 -3.504 + 4015TIP3 H118354 -1.899 3.690 -3.551 + 4015TIP3 H218355 -1.947 3.551 -3.578 + 4016TIP3 OH218356 -1.130 3.621 -3.676 + 4016TIP3 H118357 -1.074 3.576 -3.608 + 4016TIP3 H218358 -1.062 3.665 -3.729 + 4017TIP3 OH218359 -2.246 3.877 -3.453 + 4017TIP3 H118360 -2.182 3.831 -3.397 + 4017TIP3 H218361 -2.236 3.829 -3.537 + 4018TIP3 OH218362 -1.704 4.018 -3.506 + 4018TIP3 H118363 -1.636 3.960 -3.466 + 4018TIP3 H218364 -1.758 3.954 -3.555 + 4019TIP3 OH218365 -0.600 3.661 -2.950 + 4019TIP3 H118366 -0.658 3.732 -2.981 + 4019TIP3 H218367 -0.627 3.656 -2.857 + 4020TIP3 OH218368 -2.034 3.484 -3.088 + 4020TIP3 H118369 -2.075 3.533 -3.161 + 4020TIP3 H218370 -2.099 3.500 -3.017 + 4021TIP3 OH218371 -1.763 4.267 -3.111 + 4021TIP3 H118372 -1.844 4.320 -3.106 + 4021TIP3 H218373 -1.697 4.338 -3.117 + 4022TIP3 OH218374 -0.943 3.545 -3.470 + 4022TIP3 H118375 -0.988 3.488 -3.407 + 4022TIP3 H218376 -0.896 3.607 -3.412 + 4023TIP3 OH218377 -2.074 3.690 -3.295 + 4023TIP3 H118378 -2.008 3.745 -3.248 + 4023TIP3 H218379 -2.017 3.652 -3.366 + 4024TIP3 OH218380 -0.933 3.463 -3.085 + 4024TIP3 H118381 -1.010 3.501 -3.129 + 4024TIP3 H218382 -0.861 3.480 -3.149 + 4025TIP3 OH218383 -1.611 3.233 -3.368 + 4025TIP3 H118384 -1.637 3.143 -3.393 + 4025TIP3 H218385 -1.698 3.272 -3.345 + 4026TIP3 OH218386 -1.417 4.142 -3.909 + 4026TIP3 H118387 -1.483 4.179 -3.969 + 4026TIP3 H218388 -1.341 4.134 -3.968 + 4027TIP3 OH218389 -1.380 3.948 -4.206 + 4027TIP3 H118390 -1.307 3.976 -4.149 + 4027TIP3 H218391 -1.335 3.886 -4.267 + 4028TIP3 OH218392 -0.669 4.055 -3.081 + 4028TIP3 H118393 -0.734 4.127 -3.068 + 4028TIP3 H218394 -0.618 4.095 -3.155 + 4029TIP3 OH218395 -1.051 4.140 -3.807 + 4029TIP3 H118396 -1.117 4.161 -3.738 + 4029TIP3 H218397 -0.985 4.089 -3.757 + 4030TIP3 OH218398 -1.076 3.981 -2.912 + 4030TIP3 H118399 -1.075 4.058 -2.853 + 4030TIP3 H218400 -1.135 4.016 -2.982 + 4031TIP3 OH218401 -1.898 4.207 -3.611 + 4031TIP3 H118402 -1.918 4.179 -3.702 + 4031TIP3 H218403 -1.820 4.153 -3.591 + 4032TIP3 OH218404 -1.847 4.070 -3.271 + 4032TIP3 H118405 -1.787 4.073 -3.348 + 4032TIP3 H218406 -1.812 4.143 -3.215 + 4033TIP3 OH218407 -1.151 4.075 -4.056 + 4033TIP3 H118408 -1.102 4.101 -3.975 + 4033TIP3 H218409 -1.091 4.109 -4.126 + 4034TIP3 OH218410 -2.059 4.149 -2.886 + 4034TIP3 H118411 -2.047 4.212 -2.810 + 4034TIP3 H218412 -2.155 4.138 -2.885 + 4035TIP3 OH218413 -0.807 3.237 -4.075 + 4035TIP3 H118414 -0.903 3.245 -4.059 + 4035TIP3 H218415 -0.785 3.327 -4.101 + 4036TIP3 OH218416 -2.010 4.088 -3.860 + 4036TIP3 H118417 -2.029 4.166 -3.916 + 4036TIP3 H218418 -2.073 4.023 -3.894 + 4037TIP3 OH218419 -2.417 4.309 -2.982 + 4037TIP3 H118420 -2.412 4.292 -3.078 + 4037TIP3 H218421 -2.381 4.226 -2.945 + 4038TIP3 OH218422 -0.877 3.838 -2.679 + 4038TIP3 H118423 -0.931 3.875 -2.750 + 4038TIP3 H218424 -0.874 3.744 -2.705 + 4039TIP3 OH218425 -1.863 3.347 -3.286 + 4039TIP3 H118426 -1.941 3.343 -3.343 + 4039TIP3 H218427 -1.888 3.421 -3.228 + 4040TIP3 OH218428 -1.425 3.308 -2.924 + 4040TIP3 H118429 -1.373 3.255 -2.861 + 4040TIP3 H218430 -1.516 3.273 -2.913 + 4041TIP3 OH218431 -1.106 3.686 -2.870 + 4041TIP3 H118432 -1.170 3.670 -2.798 + 4041TIP3 H218433 -1.118 3.780 -2.889 + 4042TIP3 OH218434 -0.948 4.145 -4.252 + 4042TIP3 H118435 -0.992 4.166 -4.337 + 4042TIP3 H218436 -0.902 4.230 -4.234 + 4043TIP3 OH218437 -1.440 3.543 -4.216 + 4043TIP3 H118438 -1.497 3.555 -4.139 + 4043TIP3 H218439 -1.484 3.469 -4.259 + 4044TIP3 OH218440 -1.876 3.824 -3.146 + 4044TIP3 H118441 -1.935 3.838 -3.070 + 4044TIP3 H218442 -1.868 3.915 -3.183 + 4045TIP3 OH218443 -1.882 3.836 -3.661 + 4045TIP3 H118444 -1.977 3.825 -3.677 + 4045TIP3 H218445 -1.847 3.816 -3.750 + 4046TIP3 OH218446 -1.311 3.898 -3.784 + 4046TIP3 H118447 -1.360 3.972 -3.822 + 4046TIP3 H218448 -1.251 3.872 -3.857 + 4047TIP3 OH218449 -1.402 3.920 -2.639 + 4047TIP3 H118450 -1.452 3.843 -2.607 + 4047TIP3 H218451 -1.313 3.904 -2.601 + 4048TIP3 OH218452 -1.235 3.830 -3.507 + 4048TIP3 H118453 -1.262 3.885 -3.584 + 4048TIP3 H218454 -1.214 3.747 -3.553 + 4049TIP3 OH218455 -2.140 3.842 -2.968 + 4049TIP3 H118456 -2.113 3.877 -2.882 + 4049TIP3 H218457 -2.173 3.754 -2.944 + 4050TIP3 OH218458 -1.772 3.579 -4.314 + 4050TIP3 H118459 -1.806 3.560 -4.224 + 4050TIP3 H218460 -1.844 3.632 -4.352 + 4051TIP3 OH218461 -2.458 3.590 -3.601 + 4051TIP3 H118462 -2.396 3.588 -3.525 + 4051TIP3 H218463 -2.406 3.551 -3.673 + 4052TIP3 OH218464 -2.301 3.633 -4.040 + 4052TIP3 H118465 -2.243 3.682 -4.102 + 4052TIP3 H218466 -2.367 3.701 -4.018 + 4053TIP3 OH218467 -1.337 3.997 -3.060 + 4053TIP3 H118468 -1.285 3.929 -3.109 + 4053TIP3 H218469 -1.368 3.944 -2.985 + 4054TIP3 OH218470 -1.603 3.600 -3.558 + 4054TIP3 H118471 -1.697 3.583 -3.539 + 4054TIP3 H218472 -1.561 3.569 -3.477 + 4055TIP3 OH218473 -2.148 3.715 -3.690 + 4055TIP3 H118474 -2.229 3.740 -3.737 + 4055TIP3 H218475 -2.118 3.636 -3.738 + 4056TIP3 OH218476 -1.787 3.759 -3.920 + 4056TIP3 H118477 -1.690 3.759 -3.917 + 4056TIP3 H218478 -1.808 3.813 -3.998 + 4057TIP3 OH218479 -1.167 3.507 -3.257 + 4057TIP3 H118480 -1.231 3.508 -3.182 + 4057TIP3 H218481 -1.225 3.473 -3.327 + 4058TIP3 OH218482 -1.928 3.868 -4.158 + 4058TIP3 H118483 -1.992 3.822 -4.216 + 4058TIP3 H218484 -1.855 3.889 -4.218 + 4059TIP3 OH218485 -2.047 4.317 -2.678 + 4059TIP3 H118486 -1.990 4.363 -2.613 + 4059TIP3 H218487 -2.128 4.304 -2.624 + 4060TIP3 OH218488 -1.503 3.851 -3.373 + 4060TIP3 H118489 -1.433 3.805 -3.421 + 4060TIP3 H218490 -1.520 3.789 -3.300 + 4061TIP3 OH218491 -1.975 3.487 -3.766 + 4061TIP3 H118492 -2.026 3.408 -3.744 + 4061TIP3 H218493 -1.888 3.450 -3.787 + 4062TIP3 OH218494 -1.605 3.695 -3.151 + 4062TIP3 H118495 -1.684 3.752 -3.149 + 4062TIP3 H218496 -1.556 3.721 -3.071 + 4063TIP3 OH218497 -1.631 4.364 -3.939 + 4063TIP3 H118498 -1.674 4.296 -3.995 + 4063TIP3 H218499 -1.584 4.313 -3.872 + 4064TIP3 OH218500 -0.846 4.267 -3.093 + 4064TIP3 H118501 -0.820 4.311 -3.176 + 4064TIP3 H218502 -0.941 4.256 -3.112 + 4065TIP3 OH218503 -1.172 3.619 -4.208 + 4065TIP3 H118504 -1.268 3.602 -4.194 + 4065TIP3 H218505 -1.149 3.681 -4.137 + 4066TIP3 OH218506 -1.115 3.789 -3.991 + 4066TIP3 H118507 -1.029 3.774 -3.946 + 4066TIP3 H218508 -1.101 3.878 -4.030 + 4067TIP3 OH218509 -2.052 4.248 -3.392 + 4067TIP3 H118510 -1.991 4.239 -3.468 + 4067TIP3 H218511 -2.038 4.163 -3.347 + 4068TIP3 OH218512 -2.345 4.081 -2.855 + 4068TIP3 H118513 -2.334 4.043 -2.766 + 4068TIP3 H218514 -2.418 4.030 -2.893 + 4069TIP3 OH218515 -1.656 4.051 -2.653 + 4069TIP3 H118516 -1.689 4.027 -2.740 + 4069TIP3 H218517 -1.562 4.027 -2.661 + 4070TIP3 OH218518 -0.644 3.805 -3.999 + 4070TIP3 H118519 -0.707 3.787 -4.072 + 4070TIP3 H218520 -0.631 3.900 -4.017 + 4071TIP3 OH218521 -1.103 4.184 -3.228 + 4071TIP3 H118522 -1.195 4.181 -3.258 + 4071TIP3 H218523 -1.056 4.133 -3.296 + 4072TIP3 OH218524 -2.234 4.084 -4.196 + 4072TIP3 H118525 -2.179 4.154 -4.157 + 4072TIP3 H218526 -2.324 4.111 -4.171 + 4073TIP3 OH218527 -2.222 3.566 -2.889 + 4073TIP3 H118528 -2.312 3.589 -2.917 + 4073TIP3 H218529 -2.235 3.478 -2.849 + 4074TIP3 OH218530 -2.077 -4.393 -4.009 + 4074TIP3 H118531 -2.167 -4.356 -4.005 + 4074TIP3 H218532 -2.027 -4.318 -4.043 + 4075TIP3 OH218533 -1.324 3.549 -3.036 + 4075TIP3 H118534 -1.264 3.575 -2.964 + 4075TIP3 H218535 -1.374 3.475 -2.995 + 4076TIP3 OH218536 -1.258 3.502 -3.924 + 4076TIP3 H118537 -1.233 3.565 -3.993 + 4076TIP3 H218538 -1.217 3.543 -3.845 + 4077TIP3 OH218539 -1.519 3.694 -3.815 + 4077TIP3 H118540 -1.439 3.747 -3.796 + 4077TIP3 H218541 -1.550 3.672 -3.724 + 4078TIP3 OH218542 -1.476 3.794 -2.898 + 4078TIP3 H118543 -1.475 3.840 -2.813 + 4078TIP3 H218544 -1.433 3.710 -2.875 + 4079TIP3 OH218545 -1.452 3.380 -3.722 + 4079TIP3 H118546 -1.478 3.450 -3.660 + 4079TIP3 H218547 -1.386 3.423 -3.779 + 4080TIP3 OH218548 -1.886 3.502 -4.079 + 4080TIP3 H118549 -1.895 3.572 -4.012 + 4080TIP3 H218550 -1.812 3.451 -4.042 + 4081TIP3 OH218551 -0.854 3.583 -2.811 + 4081TIP3 H118552 -0.950 3.597 -2.823 + 4081TIP3 H218553 -0.831 3.562 -2.903 + 4082TIP3 OH218554 -1.002 3.967 -3.415 + 4082TIP3 H118555 -1.086 3.923 -3.434 + 4082TIP3 H218556 -0.955 3.899 -3.362 + 4083TIP3 OH218557 -2.222 3.806 -4.259 + 4083TIP3 H118558 -2.210 3.901 -4.241 + 4083TIP3 H218559 -2.314 3.805 -4.291 + 4084TIP3 OH218560 -2.146 3.306 -3.371 + 4084TIP3 H118561 -2.156 3.300 -3.468 + 4084TIP3 H218562 -2.175 3.218 -3.341 + 4085TIP3 OH218563 -2.292 4.307 -2.566 + 4085TIP3 H118564 -2.312 4.212 -2.560 + 4085TIP3 H218565 -2.375 4.348 -2.593 + 4086TIP3 OH218566 -1.701 4.329 -2.611 + 4086TIP3 H118567 -1.699 4.345 -2.708 + 4086TIP3 H218568 -1.667 4.238 -2.607 + 4087TIP3 OH218569 -1.099 -4.376 -2.838 + 4087TIP3 H118570 -1.020 -4.332 -2.872 + 4087TIP3 H218571 -1.168 -4.311 -2.857 + 4088TIP3 OH218572 -2.234 4.023 -2.593 + 4088TIP3 H118573 -2.155 3.966 -2.600 + 4088TIP3 H218574 -2.232 4.044 -2.498 + 4089TIP3 OH218575 -1.771 4.155 -4.082 + 4089TIP3 H118576 -1.843 4.120 -4.028 + 4089TIP3 H218577 -1.758 4.084 -4.147 + 4090TIP3 OH218578 -1.861 3.933 -2.855 + 4090TIP3 H118579 -1.917 4.010 -2.835 + 4090TIP3 H218580 -1.797 3.971 -2.918 + 4091TIP3 OH218581 -1.665 3.955 -4.274 + 4091TIP3 H118582 -1.670 3.954 -4.370 + 4091TIP3 H218583 -1.569 3.966 -4.259 + 4092TIP3 OH218584 -1.332 4.216 -2.500 + 4092TIP3 H118585 -1.245 4.193 -2.534 + 4092TIP3 H218586 -1.367 4.131 -2.471 + 4093TIP3 OH218587 -1.808 3.663 -2.743 + 4093TIP3 H118588 -1.799 3.597 -2.815 + 4093TIP3 H218589 -1.827 3.744 -2.793 + 4094TIP3 OH218590 -1.771 3.511 -2.997 + 4094TIP3 H118591 -1.719 3.561 -3.062 + 4094TIP3 H218592 -1.862 3.514 -3.034 + 4095TIP3 OH218593 -1.622 4.067 -2.967 + 4095TIP3 H118594 -1.538 4.054 -3.013 + 4095TIP3 H218595 -1.656 4.148 -3.007 + 4096TIP3 OH218596 -1.157 3.850 -2.482 + 4096TIP3 H118597 -1.141 3.756 -2.460 + 4096TIP3 H218598 -1.066 3.884 -2.483 + 4097TIP3 OH218599 -1.062 4.137 -2.642 + 4097TIP3 H118600 -1.086 4.208 -2.707 + 4097TIP3 H218601 -0.972 4.116 -2.673 + 4098TIP3 OH218602 -1.993 3.853 -2.568 + 4098TIP3 H118603 -2.040 3.768 -2.562 + 4098TIP3 H218604 -1.907 3.825 -2.602 + 4099TIP3 OH218605 -1.699 3.244 -2.960 + 4099TIP3 H118606 -1.716 3.339 -2.978 + 4099TIP3 H218607 -1.768 3.202 -3.016 + 4100TIP3 OH218608 -1.573 3.701 -2.587 + 4100TIP3 H118609 -1.603 3.676 -2.498 + 4100TIP3 H218610 -1.655 3.678 -2.637 + 4101TIP3 OH218611 -1.319 3.607 -2.696 + 4101TIP3 H118612 -1.408 3.613 -2.655 + 4101TIP3 H218613 -1.275 3.543 -2.637 + 4102TIP3 OH218614 -1.127 3.451 -2.520 + 4102TIP3 H118615 -1.153 3.358 -2.505 + 4102TIP3 H218616 -1.155 3.496 -2.438 + 4103TIP3 OH218617 -2.119 3.594 -2.576 + 4103TIP3 H118618 -2.124 3.523 -2.643 + 4103TIP3 H218619 -2.139 3.545 -2.494 + 4104TIP3 OH218620 -1.720 3.192 -2.679 + 4104TIP3 H118621 -1.656 3.120 -2.674 + 4104TIP3 H218622 -1.718 3.212 -2.774 + 4105TIP3 OH218623 -1.612 3.380 -2.486 + 4105TIP3 H118624 -1.650 3.310 -2.542 + 4105TIP3 H218625 -1.690 3.428 -2.457 + 4106TIP3 OH218626 -0.680 4.369 -3.885 + 4106TIP3 H118627 -0.588 4.364 -3.913 + 4106TIP3 H218628 -0.698 4.279 -3.853 + 4107TIP3 OH218629 -0.645 4.128 -3.733 + 4107TIP3 H118630 -0.723 4.086 -3.691 + 4107TIP3 H218631 -0.588 4.150 -3.657 + 4108TIP3 OH218632 -0.630 4.104 -4.106 + 4108TIP3 H118633 -0.692 4.137 -4.173 + 4108TIP3 H218634 -0.641 4.171 -4.038 + 4109TIP3 OH218635 -0.807 3.843 -4.216 + 4109TIP3 H118636 -0.781 3.921 -4.268 + 4109TIP3 H218637 -0.764 3.772 -4.265 + 4110TIP3 OH218638 -0.872 3.965 -3.657 + 4110TIP3 H118639 -0.875 3.869 -3.671 + 4110TIP3 H218640 -0.908 3.973 -3.566 + 4111TIP3 OH218641 -2.384 4.189 -3.259 + 4111TIP3 H118642 -2.375 4.201 -3.355 + 4111TIP3 H218643 -2.294 4.160 -3.234 + 4112TIP3 OH218644 -0.786 4.161 -2.736 + 4112TIP3 H118645 -0.714 4.100 -2.710 + 4112TIP3 H218646 -0.740 4.244 -2.760 + 4113TIP3 OH218647 -0.643 3.965 -2.621 + 4113TIP3 H118648 -0.725 3.914 -2.638 + 4113TIP3 H218649 -0.576 3.895 -2.616 + 4114TIP3 OH218650 -0.884 3.528 -4.334 + 4114TIP3 H118651 -0.822 3.507 -4.264 + 4114TIP3 H218652 -0.969 3.495 -4.302 + 4115TIP3 OH218653 -0.881 3.709 -3.836 + 4115TIP3 H118654 -0.854 3.615 -3.828 + 4115TIP3 H218655 -0.799 3.748 -3.873 + 4116TIP3 OH218656 -0.850 3.766 -3.289 + 4116TIP3 H118657 -0.753 3.780 -3.290 + 4116TIP3 H218658 -0.867 3.771 -3.193 + 4117TIP3 OH218659 -0.833 3.837 -3.007 + 4117TIP3 H118660 -0.920 3.874 -2.981 + 4117TIP3 H218661 -0.783 3.918 -3.030 + 4118TIP3 OH218662 -2.387 3.716 -2.639 + 4118TIP3 H118663 -2.293 3.691 -2.636 + 4118TIP3 H218664 -2.430 3.628 -2.632 + 4119TIP3 OH218665 -0.574 3.254 -2.476 + 4119TIP3 H118666 -0.539 3.184 -2.534 + 4119TIP3 H218667 -0.576 3.331 -2.536 + 4120TIP3 OH218668 -0.828 3.433 -3.831 + 4120TIP3 H118669 -0.821 3.398 -3.740 + 4120TIP3 H218670 -0.904 3.380 -3.865 + 4121TIP3 OH218671 -2.309 3.547 -3.358 + 4121TIP3 H118672 -2.263 3.461 -3.353 + 4121TIP3 H218673 -2.239 3.607 -3.325 + 4122TIP3 OH218674 -2.455 3.816 -3.254 + 4122TIP3 H118675 -2.394 3.810 -3.329 + 4122TIP3 H218676 -2.420 3.893 -3.208 + 4123TIP3 OH218677 -0.641 3.456 -2.653 + 4123TIP3 H118678 -0.728 3.500 -2.647 + 4123TIP3 H218679 -0.654 3.403 -2.733 + 4124TIP3 OH218680 -0.628 3.474 -4.177 + 4124TIP3 H118681 -0.598 3.403 -4.233 + 4124TIP3 H218682 -0.546 3.526 -4.166 + 4125TIP3 OH218683 -2.404 3.450 -3.852 + 4125TIP3 H118684 -2.499 3.452 -3.872 + 4125TIP3 H218685 -2.366 3.509 -3.920 + 4126TIP3 OH218686 -2.400 3.338 -3.033 + 4126TIP3 H118687 -2.471 3.310 -2.974 + 4126TIP3 H218688 -2.449 3.389 -3.100 + 4127TIP3 OH218689 -0.752 3.281 -2.856 + 4127TIP3 H118690 -0.834 3.302 -2.905 + 4127TIP3 H218691 -0.733 3.191 -2.889 + 4128TIP3 OH218692 -1.410 3.430 -3.413 + 4128TIP3 H118693 -1.479 3.363 -3.395 + 4128TIP3 H218694 -1.353 3.381 -3.475 + 4129TIP3 OH218695 -0.916 3.230 -3.363 + 4129TIP3 H118696 -0.843 3.278 -3.405 + 4129TIP3 H218697 -0.993 3.259 -3.415 + 4130TIP3 OH218698 -0.706 3.340 -3.575 + 4130TIP3 H118699 -0.635 3.305 -3.631 + 4130TIP3 H218700 -0.678 3.434 -3.565 + 4131TIP3 OH218701 -2.170 3.292 -3.652 + 4131TIP3 H118702 -2.255 3.276 -3.696 + 4131TIP3 H218703 -2.122 3.209 -3.671 + 4132TIP3 OH218704 -2.300 3.258 -4.083 + 4132TIP3 H118705 -2.239 3.321 -4.126 + 4132TIP3 H218706 -2.330 3.309 -4.006 + 4133TIP3 OH218707 -1.736 3.307 -3.665 + 4133TIP3 H118708 -1.644 3.292 -3.691 + 4133TIP3 H218709 -1.747 3.240 -3.597 + 4134TIP3 OH218710 -1.161 3.287 -3.521 + 4134TIP3 H118711 -1.154 3.271 -3.616 + 4134TIP3 H218712 -1.207 3.205 -3.491 + 4135TIP3 OH218713 -1.063 3.285 -3.924 + 4135TIP3 H118714 -1.143 3.336 -3.947 + 4135TIP3 H218715 -1.102 3.197 -3.911 + 4136TIP3 OH218716 -2.130 3.427 -4.230 + 4136TIP3 H118717 -2.072 3.371 -4.282 + 4136TIP3 H218718 -2.065 3.480 -4.180 + 4137TIP3 OH218719 -1.619 3.445 -3.964 + 4137TIP3 H118720 -1.578 3.383 -3.902 + 4137TIP3 H218721 -1.594 3.530 -3.924 + 4138TIP3 OH218722 -2.197 3.323 -2.702 + 4138TIP3 H118723 -2.235 3.242 -2.665 + 4138TIP3 H218724 -2.104 3.313 -2.674 + 4139TIP3 OH218725 -1.965 3.263 -2.530 + 4139TIP3 H118726 -1.878 3.237 -2.567 + 4139TIP3 H218727 -1.992 3.181 -2.487 + 4140TIP3 OH218728 -1.146 3.170 -2.510 + 4140TIP3 H118729 -1.143 3.136 -2.419 + 4140TIP3 H218730 -1.052 3.171 -2.534 + 4141TIP3 OH218731 -0.264 4.083 -3.155 + 4141TIP3 H118732 -0.264 4.008 -3.094 + 4141TIP3 H218733 -0.186 4.131 -3.125 + 4142TIP3 OH218734 -0.492 3.884 -3.763 + 4142TIP3 H118735 -0.534 3.971 -3.754 + 4142TIP3 H218736 -0.561 3.834 -3.807 + 4143TIP3 OH218737 -0.399 4.136 -3.577 + 4143TIP3 H118738 -0.399 4.055 -3.522 + 4143TIP3 H218739 -0.316 4.123 -3.626 + 4144TIP3 OH218740 1.216 3.518 -3.196 + 4144TIP3 H118741 1.235 3.586 -3.129 + 4144TIP3 H218742 1.270 3.552 -3.270 + 4145TIP3 OH218743 0.678 3.801 -3.231 + 4145TIP3 H118744 0.686 3.704 -3.241 + 4145TIP3 H218745 0.642 3.828 -3.316 + 4146TIP3 OH218746 -0.029 3.604 -3.505 + 4146TIP3 H118747 -0.013 3.691 -3.548 + 4146TIP3 H218748 -0.065 3.555 -3.580 + 4147TIP3 OH218749 0.746 3.614 -3.672 + 4147TIP3 H118750 0.807 3.591 -3.600 + 4147TIP3 H218751 0.787 3.693 -3.708 + 4148TIP3 OH218752 -0.362 3.877 -3.453 + 4148TIP3 H118753 -0.297 3.832 -3.397 + 4148TIP3 H218754 -0.351 3.829 -3.537 + 4149TIP3 OH218755 0.177 4.018 -3.495 + 4149TIP3 H118756 0.260 3.972 -3.471 + 4149TIP3 H218757 0.132 3.951 -3.550 + 4150TIP3 OH218758 1.285 3.661 -2.949 + 4150TIP3 H118759 1.228 3.733 -2.981 + 4150TIP3 H218760 1.259 3.658 -2.856 + 4151TIP3 OH218761 -0.150 3.483 -3.088 + 4151TIP3 H118762 -0.188 3.536 -3.160 + 4151TIP3 H218763 -0.215 3.500 -3.017 + 4152TIP3 OH218764 0.112 4.276 -3.101 + 4152TIP3 H118765 0.037 4.334 -3.120 + 4152TIP3 H218766 0.185 4.330 -3.136 + 4153TIP3 OH218767 0.945 3.543 -3.469 + 4153TIP3 H118768 0.895 3.491 -3.404 + 4153TIP3 H218769 0.989 3.609 -3.414 + 4154TIP3 OH218770 -0.188 3.688 -3.294 + 4154TIP3 H118771 -0.123 3.746 -3.248 + 4154TIP3 H218772 -0.130 3.653 -3.366 + 4155TIP3 OH218773 0.953 3.461 -3.085 + 4155TIP3 H118774 0.876 3.502 -3.129 + 4155TIP3 H218775 1.025 3.481 -3.148 + 4156TIP3 OH218776 0.266 3.233 -3.381 + 4156TIP3 H118777 0.242 3.139 -3.385 + 4156TIP3 H218778 0.184 3.272 -3.343 + 4157TIP3 OH218779 0.466 4.123 -3.910 + 4157TIP3 H118780 0.412 4.194 -3.947 + 4157TIP3 H218781 0.551 4.136 -3.953 + 4158TIP3 OH218782 0.499 3.952 -4.209 + 4158TIP3 H118783 0.562 3.981 -4.140 + 4158TIP3 H218784 0.556 3.890 -4.260 + 4159TIP3 OH218785 1.217 4.056 -3.081 + 4159TIP3 H118786 1.150 4.127 -3.068 + 4159TIP3 H218787 1.266 4.096 -3.156 + 4160TIP3 OH218788 0.807 4.151 -3.793 + 4160TIP3 H118789 0.742 4.162 -3.720 + 4160TIP3 H218790 0.874 4.098 -3.747 + 4161TIP3 OH218791 0.803 3.982 -2.915 + 4161TIP3 H118792 0.807 4.062 -2.861 + 4161TIP3 H218793 0.750 4.017 -2.990 + 4162TIP3 OH218794 -0.024 4.198 -3.609 + 4162TIP3 H118795 -0.032 4.179 -3.704 + 4162TIP3 H218796 0.064 4.159 -3.589 + 4163TIP3 OH218797 0.038 4.073 -3.264 + 4163TIP3 H118798 0.096 4.070 -3.343 + 4163TIP3 H218799 0.076 4.145 -3.211 + 4164TIP3 OH218800 0.739 4.070 -4.053 + 4164TIP3 H118801 0.778 4.106 -3.970 + 4164TIP3 H218802 0.799 4.108 -4.121 + 4165TIP3 OH218803 -0.173 4.145 -2.882 + 4165TIP3 H118804 -0.161 4.210 -2.809 + 4165TIP3 H218805 -0.270 4.139 -2.885 + 4166TIP3 OH218806 1.078 3.236 -4.076 + 4166TIP3 H118807 0.983 3.247 -4.056 + 4166TIP3 H218808 1.101 3.326 -4.103 + 4167TIP3 OH218809 -0.124 4.084 -3.864 + 4167TIP3 H118810 -0.142 4.165 -3.918 + 4167TIP3 H218811 -0.191 4.024 -3.896 + 4168TIP3 OH218812 -0.528 4.310 -2.982 + 4168TIP3 H118813 -0.527 4.292 -3.077 + 4168TIP3 H218814 -0.495 4.226 -2.945 + 4169TIP3 OH218815 1.004 3.837 -2.677 + 4169TIP3 H118816 0.958 3.877 -2.753 + 4169TIP3 H218817 1.012 3.744 -2.708 + 4170TIP3 OH218818 0.024 3.346 -3.288 + 4170TIP3 H118819 -0.059 3.342 -3.339 + 4170TIP3 H218820 0.005 3.423 -3.232 + 4171TIP3 OH218821 0.461 3.306 -2.923 + 4171TIP3 H118822 0.513 3.252 -2.861 + 4171TIP3 H218823 0.370 3.273 -2.912 + 4172TIP3 OH218824 0.780 3.685 -2.869 + 4172TIP3 H118825 0.714 3.671 -2.799 + 4172TIP3 H218826 0.768 3.780 -2.893 + 4173TIP3 OH218827 0.936 4.145 -4.254 + 4173TIP3 H118828 0.914 4.157 -4.347 + 4173TIP3 H218829 0.979 4.230 -4.233 + 4174TIP3 OH218830 0.443 3.544 -4.217 + 4174TIP3 H118831 0.386 3.555 -4.139 + 4174TIP3 H218832 0.397 3.474 -4.264 + 4175TIP3 OH218833 0.008 3.825 -3.146 + 4175TIP3 H118834 -0.052 3.840 -3.071 + 4175TIP3 H218835 0.020 3.915 -3.182 + 4176TIP3 OH218836 0.004 3.830 -3.660 + 4176TIP3 H118837 -0.092 3.826 -3.678 + 4176TIP3 H218838 0.040 3.818 -3.749 + 4177TIP3 OH218839 0.570 3.871 -3.786 + 4177TIP3 H118840 0.541 3.963 -3.778 + 4177TIP3 H218841 0.635 3.876 -3.859 + 4178TIP3 OH218842 0.484 3.923 -2.633 + 4178TIP3 H118843 0.433 3.844 -2.608 + 4178TIP3 H218844 0.573 3.902 -2.600 + 4179TIP3 OH218845 -0.251 3.841 -2.969 + 4179TIP3 H118846 -0.231 3.880 -2.883 + 4179TIP3 H218847 -0.288 3.754 -2.944 + 4180TIP3 OH218848 0.115 3.576 -4.316 + 4180TIP3 H118849 0.082 3.559 -4.226 + 4180TIP3 H218850 0.044 3.634 -4.350 + 4181TIP3 OH218851 -0.572 3.588 -3.601 + 4181TIP3 H118852 -0.512 3.589 -3.525 + 4181TIP3 H218853 -0.518 3.552 -3.672 + 4182TIP3 OH218854 -0.416 3.633 -4.040 + 4182TIP3 H118855 -0.358 3.682 -4.101 + 4182TIP3 H218856 -0.482 3.701 -4.018 + 4183TIP3 OH218857 0.546 4.005 -3.058 + 4183TIP3 H118858 0.592 3.955 -3.128 + 4183TIP3 H218859 0.528 3.938 -2.992 + 4184TIP3 OH218860 0.278 3.586 -3.555 + 4184TIP3 H118861 0.184 3.592 -3.531 + 4184TIP3 H218862 0.320 3.580 -3.467 + 4185TIP3 OH218863 -0.266 3.713 -3.687 + 4185TIP3 H118864 -0.344 3.743 -3.736 + 4185TIP3 H218865 -0.234 3.638 -3.740 + 4186TIP3 OH218866 0.099 3.751 -3.926 + 4186TIP3 H118867 0.196 3.761 -3.916 + 4186TIP3 H218868 0.077 3.814 -3.997 + 4187TIP3 OH218869 0.719 3.507 -3.256 + 4187TIP3 H118870 0.656 3.511 -3.182 + 4187TIP3 H218871 0.660 3.472 -3.326 + 4188TIP3 OH218872 -0.044 3.866 -4.157 + 4188TIP3 H118873 -0.104 3.818 -4.217 + 4188TIP3 H218874 0.029 3.892 -4.215 + 4189TIP3 OH218875 -0.162 4.317 -2.678 + 4189TIP3 H118876 -0.105 4.365 -2.615 + 4189TIP3 H218877 -0.242 4.305 -2.624 + 4190TIP3 OH218878 0.383 3.835 -3.378 + 4190TIP3 H118879 0.452 3.799 -3.434 + 4190TIP3 H218880 0.385 3.779 -3.299 + 4191TIP3 OH218881 -0.088 3.490 -3.763 + 4191TIP3 H118882 -0.140 3.411 -3.747 + 4191TIP3 H218883 -0.004 3.454 -3.795 + 4192TIP3 OH218884 0.276 3.687 -3.148 + 4192TIP3 H118885 0.205 3.752 -3.156 + 4192TIP3 H218886 0.328 3.721 -3.072 + 4193TIP3 OH218887 0.282 4.349 -3.955 + 4193TIP3 H118888 0.217 4.288 -3.996 + 4193TIP3 H218889 0.278 4.327 -3.861 + 4194TIP3 OH218890 1.040 4.266 -3.094 + 4194TIP3 H118891 1.061 4.312 -3.177 + 4194TIP3 H218892 0.945 4.252 -3.111 + 4195TIP3 OH218893 0.709 3.608 -4.186 + 4195TIP3 H118894 0.611 3.607 -4.184 + 4195TIP3 H218895 0.733 3.683 -4.127 + 4196TIP3 OH218896 0.775 3.792 -3.994 + 4196TIP3 H118897 0.859 3.779 -3.945 + 4196TIP3 H218898 0.784 3.883 -4.027 + 4197TIP3 OH218899 -0.165 4.251 -3.386 + 4197TIP3 H118900 -0.109 4.238 -3.467 + 4197TIP3 H218901 -0.153 4.164 -3.344 + 4198TIP3 OH218902 -0.460 4.080 -2.856 + 4198TIP3 H118903 -0.451 4.043 -2.766 + 4198TIP3 H218904 -0.534 4.031 -2.894 + 4199TIP3 OH218905 0.229 4.048 -2.650 + 4199TIP3 H118906 0.194 4.029 -2.739 + 4199TIP3 H218907 0.324 4.029 -2.662 + 4200TIP3 OH218908 1.244 3.803 -4.000 + 4200TIP3 H118909 1.178 3.786 -4.070 + 4200TIP3 H218910 1.254 3.899 -4.015 + 4201TIP3 OH218911 0.779 4.162 -3.221 + 4201TIP3 H118912 0.692 4.175 -3.263 + 4201TIP3 H218913 0.829 4.137 -3.300 + 4202TIP3 OH218914 -0.348 4.084 -4.195 + 4202TIP3 H118915 -0.293 4.154 -4.156 + 4202TIP3 H218916 -0.438 4.112 -4.172 + 4203TIP3 OH218917 -0.337 3.565 -2.887 + 4203TIP3 H118918 -0.427 3.591 -2.915 + 4203TIP3 H218919 -0.352 3.477 -2.849 + 4204TIP3 OH218920 -0.192 -4.395 -4.010 + 4204TIP3 H118921 -0.281 -4.355 -4.002 + 4204TIP3 H218922 -0.141 -4.319 -4.040 + 4205TIP3 OH218923 0.560 3.551 -3.035 + 4205TIP3 H118924 0.624 3.575 -2.967 + 4205TIP3 H218925 0.511 3.477 -2.995 + 4206TIP3 OH218926 0.633 3.505 -3.910 + 4206TIP3 H118927 0.657 3.560 -3.986 + 4206TIP3 H218928 0.672 3.555 -3.836 + 4207TIP3 OH218929 0.365 3.689 -3.816 + 4207TIP3 H118930 0.443 3.749 -3.805 + 4207TIP3 H218931 0.338 3.678 -3.723 + 4208TIP3 OH218932 0.398 3.787 -2.895 + 4208TIP3 H118933 0.412 3.845 -2.819 + 4208TIP3 H218934 0.457 3.713 -2.878 + 4209TIP3 OH218935 0.430 3.396 -3.724 + 4209TIP3 H118936 0.407 3.466 -3.659 + 4209TIP3 H218937 0.503 3.439 -3.772 + 4210TIP3 OH218938 -0.000 3.502 -4.078 + 4210TIP3 H118939 -0.006 3.576 -4.016 + 4210TIP3 H218940 0.076 3.453 -4.042 + 4211TIP3 OH218941 1.030 3.583 -2.810 + 4211TIP3 H118942 0.935 3.600 -2.827 + 4211TIP3 H218943 1.057 3.562 -2.901 + 4212TIP3 OH218944 0.887 3.950 -3.433 + 4212TIP3 H118945 0.790 3.947 -3.437 + 4212TIP3 H218946 0.910 3.882 -3.367 + 4213TIP3 OH218947 -0.342 3.807 -4.257 + 4213TIP3 H118948 -0.327 3.902 -4.240 + 4213TIP3 H218949 -0.433 3.808 -4.289 + 4214TIP3 OH218950 -0.253 3.303 -3.371 + 4214TIP3 H118951 -0.273 3.303 -3.467 + 4214TIP3 H218952 -0.290 3.218 -3.341 + 4215TIP3 OH218953 -0.405 4.307 -2.566 + 4215TIP3 H118954 -0.427 4.212 -2.562 + 4215TIP3 H218955 -0.488 4.350 -2.591 + 4216TIP3 OH218956 0.183 4.328 -2.609 + 4216TIP3 H118957 0.186 4.350 -2.705 + 4216TIP3 H218958 0.219 4.238 -2.609 + 4217TIP3 OH218959 0.787 -4.376 -2.835 + 4217TIP3 H118960 0.864 -4.332 -2.872 + 4217TIP3 H218961 0.716 -4.315 -2.860 + 4218TIP3 OH218962 -0.349 4.024 -2.593 + 4218TIP3 H118963 -0.271 3.966 -2.599 + 4218TIP3 H218964 -0.348 4.045 -2.497 + 4219TIP3 OH218965 0.105 4.159 -4.089 + 4219TIP3 H118966 0.043 4.119 -4.026 + 4219TIP3 H218967 0.132 4.084 -4.143 + 4220TIP3 OH218968 0.025 3.934 -2.851 + 4220TIP3 H118969 -0.033 4.011 -2.838 + 4220TIP3 H218970 0.087 3.967 -2.918 + 4221TIP3 OH218971 0.219 3.956 -4.270 + 4221TIP3 H118972 0.220 3.949 -4.366 + 4221TIP3 H218973 0.315 3.965 -4.251 + 4222TIP3 OH218974 0.556 4.216 -2.494 + 4222TIP3 H118975 0.639 4.196 -2.538 + 4222TIP3 H218976 0.517 4.129 -2.479 + 4223TIP3 OH218977 0.083 3.664 -2.741 + 4223TIP3 H118978 0.088 3.598 -2.813 + 4223TIP3 H218979 0.063 3.745 -2.791 + 4224TIP3 OH218980 0.114 3.508 -2.997 + 4224TIP3 H118981 0.167 3.564 -3.059 + 4224TIP3 H218982 0.023 3.515 -3.033 + 4225TIP3 OH218983 0.268 4.067 -2.966 + 4225TIP3 H118984 0.352 4.056 -3.015 + 4225TIP3 H218985 0.233 4.149 -3.005 + 4226TIP3 OH218986 0.731 3.837 -2.466 + 4226TIP3 H118987 0.761 3.749 -2.491 + 4226TIP3 H218988 0.813 3.889 -2.478 + 4227TIP3 OH218989 0.820 4.136 -2.638 + 4227TIP3 H118990 0.798 4.207 -2.703 + 4227TIP3 H218991 0.911 4.116 -2.667 + 4228TIP3 OH218992 -0.102 3.849 -2.559 + 4228TIP3 H118993 -0.153 3.766 -2.563 + 4228TIP3 H218994 -0.022 3.826 -2.609 + 4229TIP3 OH218995 0.186 3.243 -2.960 + 4229TIP3 H118996 0.170 3.338 -2.977 + 4229TIP3 H218997 0.117 3.202 -3.015 + 4230TIP3 OH218998 0.315 3.697 -2.580 + 4230TIP3 H118999 0.270 3.682 -2.495 + 4230TIP3 H219000 0.239 3.682 -2.640 + 4231TIP3 OH219001 0.570 3.607 -2.693 + 4231TIP3 H119002 0.479 3.612 -2.659 + 4231TIP3 H219003 0.611 3.544 -2.631 + 4232TIP3 OH219004 0.751 3.465 -2.492 + 4232TIP3 H119005 0.735 3.369 -2.499 + 4232TIP3 H219006 0.710 3.486 -2.407 + 4233TIP3 OH219007 -0.230 3.594 -2.578 + 4233TIP3 H119008 -0.240 3.525 -2.646 + 4233TIP3 H219009 -0.255 3.546 -2.497 + 4234TIP3 OH219010 0.171 3.191 -2.678 + 4234TIP3 H119011 0.233 3.116 -2.676 + 4234TIP3 H219012 0.166 3.208 -2.774 + 4235TIP3 OH219013 0.266 3.379 -2.490 + 4235TIP3 H119014 0.237 3.321 -2.563 + 4235TIP3 H219015 0.198 3.448 -2.490 + 4236TIP3 OH219016 1.210 4.368 -3.887 + 4236TIP3 H119017 1.303 4.357 -3.911 + 4236TIP3 H219018 1.185 4.280 -3.853 + 4237TIP3 OH219019 1.242 4.128 -3.733 + 4237TIP3 H119020 1.161 4.087 -3.695 + 4237TIP3 H219021 1.293 4.153 -3.654 + 4238TIP3 OH219022 1.260 4.109 -4.108 + 4238TIP3 H119023 1.194 4.138 -4.173 + 4238TIP3 H219024 1.241 4.169 -4.036 + 4239TIP3 OH219025 1.084 3.848 -4.212 + 4239TIP3 H119026 1.107 3.921 -4.272 + 4239TIP3 H219027 1.114 3.771 -4.260 + 4240TIP3 OH219028 1.021 3.967 -3.663 + 4240TIP3 H119029 1.008 3.872 -3.679 + 4240TIP3 H219030 0.976 3.975 -3.575 + 4241TIP3 OH219031 -0.499 4.189 -3.260 + 4241TIP3 H119032 -0.490 4.202 -3.355 + 4241TIP3 H219033 -0.409 4.160 -3.234 + 4242TIP3 OH219034 1.101 4.159 -2.744 + 4242TIP3 H119035 1.173 4.102 -2.709 + 4242TIP3 H219036 1.142 4.245 -2.760 + 4243TIP3 OH219037 1.240 3.967 -2.616 + 4243TIP3 H119038 1.160 3.914 -2.637 + 4243TIP3 H219039 1.309 3.898 -2.615 + 4244TIP3 OH219040 1.005 3.543 -4.325 + 4244TIP3 H119041 1.060 3.506 -4.256 + 4244TIP3 H219042 0.922 3.493 -4.318 + 4245TIP3 OH219043 1.007 3.712 -3.835 + 4245TIP3 H119044 1.029 3.617 -3.826 + 4245TIP3 H219045 1.089 3.747 -3.872 + 4246TIP3 OH219046 1.034 3.756 -3.287 + 4246TIP3 H119047 1.128 3.780 -3.293 + 4246TIP3 H219048 1.016 3.772 -3.193 + 4247TIP3 OH219049 1.051 3.840 -3.001 + 4247TIP3 H119050 0.962 3.877 -2.983 + 4247TIP3 H219051 1.100 3.919 -3.029 + 4248TIP3 OH219052 -0.501 3.717 -2.636 + 4248TIP3 H119053 -0.407 3.689 -2.638 + 4248TIP3 H219054 -0.546 3.631 -2.632 + 4249TIP3 OH219055 1.306 3.253 -2.478 + 4249TIP3 H119056 1.349 3.183 -2.531 + 4249TIP3 H219057 1.310 3.330 -2.537 + 4250TIP3 OH219058 1.060 3.430 -3.831 + 4250TIP3 H119059 1.063 3.400 -3.739 + 4250TIP3 H219060 0.982 3.382 -3.864 + 4251TIP3 OH219061 -0.422 3.547 -3.360 + 4251TIP3 H119062 -0.376 3.462 -3.351 + 4251TIP3 H219063 -0.355 3.609 -3.326 + 4252TIP3 OH219064 -0.568 3.814 -3.253 + 4252TIP3 H119065 -0.509 3.812 -3.330 + 4252TIP3 H219066 -0.536 3.893 -3.207 + 4253TIP3 OH219067 1.245 3.458 -2.653 + 4253TIP3 H119068 1.157 3.500 -2.650 + 4253TIP3 H219069 1.234 3.402 -2.733 + 4254TIP3 OH219070 1.260 3.470 -4.173 + 4254TIP3 H119071 1.284 3.403 -4.237 + 4254TIP3 H219072 1.341 3.524 -4.169 + 4255TIP3 OH219073 -0.518 3.444 -3.856 + 4255TIP3 H119074 -0.614 3.451 -3.871 + 4255TIP3 H219075 -0.481 3.509 -3.920 + 4256TIP3 OH219076 -0.515 3.335 -3.035 + 4256TIP3 H119077 -0.586 3.311 -2.974 + 4256TIP3 H219078 -0.564 3.390 -3.100 + 4257TIP3 OH219079 1.131 3.280 -2.853 + 4257TIP3 H119080 1.053 3.302 -2.907 + 4257TIP3 H219081 1.153 3.191 -2.888 + 4258TIP3 OH219082 0.478 3.427 -3.402 + 4258TIP3 H119083 0.405 3.362 -3.396 + 4258TIP3 H219084 0.534 3.388 -3.471 + 4259TIP3 OH219085 0.970 3.230 -3.364 + 4259TIP3 H119086 1.045 3.278 -3.403 + 4259TIP3 H219087 0.894 3.263 -3.416 + 4260TIP3 OH219088 1.181 3.339 -3.572 + 4260TIP3 H119089 1.250 3.304 -3.630 + 4260TIP3 H219090 1.206 3.433 -3.565 + 4261TIP3 OH219091 -0.290 3.301 -3.651 + 4261TIP3 H119092 -0.375 3.289 -3.698 + 4261TIP3 H219093 -0.247 3.216 -3.669 + 4262TIP3 OH219094 -0.415 3.256 -4.083 + 4262TIP3 H119095 -0.354 3.320 -4.127 + 4262TIP3 H219096 -0.446 3.310 -4.008 + 4263TIP3 OH219097 0.157 3.279 -3.665 + 4263TIP3 H119098 0.245 3.318 -3.681 + 4263TIP3 H219099 0.155 3.276 -3.569 + 4264TIP3 OH219100 0.721 3.286 -3.522 + 4264TIP3 H119101 0.740 3.278 -3.616 + 4264TIP3 H219102 0.678 3.201 -3.502 + 4265TIP3 OH219103 0.825 3.284 -3.922 + 4265TIP3 H119104 0.748 3.340 -3.942 + 4265TIP3 H219105 0.785 3.195 -3.922 + 4266TIP3 OH219106 -0.244 3.424 -4.228 + 4266TIP3 H119107 -0.183 3.374 -4.285 + 4266TIP3 H219108 -0.181 3.481 -4.180 + 4267TIP3 OH219109 0.268 3.444 -3.958 + 4267TIP3 H119110 0.312 3.395 -3.887 + 4267TIP3 H219111 0.291 3.534 -3.931 + 4268TIP3 OH219112 -0.311 3.324 -2.701 + 4268TIP3 H119113 -0.351 3.243 -2.665 + 4268TIP3 H219114 -0.219 3.313 -2.674 + 4269TIP3 OH219115 -0.071 3.265 -2.524 + 4269TIP3 H119116 0.011 3.230 -2.566 + 4269TIP3 H219117 -0.108 3.184 -2.486 + 4270TIP3 OH219118 0.741 3.185 -2.508 + 4270TIP3 H119119 0.744 3.137 -2.423 + 4270TIP3 H219120 0.834 3.179 -2.537 + 4271TIP3 OH219121 2.499 4.204 -3.647 + 4271TIP3 H119122 2.467 4.295 -3.645 + 4271TIP3 H219123 2.425 4.160 -3.692 + 4272TIP3 OH219124 2.380 4.132 -3.318 + 4272TIP3 H119125 2.382 4.080 -3.236 + 4272TIP3 H219126 2.353 4.067 -3.384 + 4273TIP3 OH219127 1.624 4.082 -3.158 + 4273TIP3 H119128 1.621 4.007 -3.095 + 4273TIP3 H219129 1.696 4.134 -3.121 + 4274TIP3 OH219130 1.395 3.887 -3.763 + 4274TIP3 H119131 1.348 3.972 -3.753 + 4274TIP3 H219132 1.327 3.832 -3.803 + 4275TIP3 OH219133 1.492 4.138 -3.574 + 4275TIP3 H119134 1.487 4.056 -3.521 + 4275TIP3 H219135 1.566 4.116 -3.631 + 4276TIP3 OH219136 3.089 3.527 -3.201 + 4276TIP3 H119137 3.119 3.583 -3.127 + 4276TIP3 H219138 3.163 3.541 -3.263 + 4277TIP3 OH219139 2.561 3.804 -3.211 + 4277TIP3 H119140 2.575 3.708 -3.207 + 4277TIP3 H219141 2.551 3.818 -3.307 + 4278TIP3 OH219142 1.859 3.605 -3.505 + 4278TIP3 H119143 1.871 3.691 -3.550 + 4278TIP3 H219144 1.821 3.553 -3.579 + 4279TIP3 OH219145 2.641 3.621 -3.675 + 4279TIP3 H119146 2.698 3.577 -3.608 + 4279TIP3 H219147 2.708 3.665 -3.729 + 4280TIP3 OH219148 1.526 3.879 -3.454 + 4280TIP3 H119149 1.587 3.830 -3.397 + 4280TIP3 H219150 1.533 3.829 -3.537 + 4281TIP3 OH219151 2.068 4.019 -3.507 + 4281TIP3 H119152 2.135 3.960 -3.466 + 4281TIP3 H219153 2.013 3.954 -3.555 + 4282TIP3 OH219154 3.172 3.662 -2.949 + 4282TIP3 H119155 3.111 3.732 -2.980 + 4282TIP3 H219156 3.144 3.654 -2.857 + 4283TIP3 OH219157 1.737 3.484 -3.088 + 4283TIP3 H119158 1.697 3.535 -3.160 + 4283TIP3 H219159 1.672 3.499 -3.017 + 4284TIP3 OH219160 2.008 4.267 -3.111 + 4284TIP3 H119161 1.927 4.320 -3.108 + 4284TIP3 H219162 2.073 4.339 -3.117 + 4285TIP3 OH219163 2.826 3.546 -3.470 + 4285TIP3 H119164 2.787 3.487 -3.404 + 4285TIP3 H219165 2.879 3.606 -3.414 + 4286TIP3 OH219166 1.698 3.688 -3.294 + 4286TIP3 H119167 1.762 3.746 -3.248 + 4286TIP3 H219168 1.756 3.652 -3.365 + 4287TIP3 OH219169 2.837 3.461 -3.084 + 4287TIP3 H119170 2.760 3.500 -3.130 + 4287TIP3 H219171 2.910 3.482 -3.146 + 4288TIP3 OH219172 2.152 3.234 -3.381 + 4288TIP3 H119173 2.129 3.139 -3.385 + 4288TIP3 H219174 2.069 3.272 -3.343 + 4289TIP3 OH219175 2.354 4.140 -3.909 + 4289TIP3 H119176 2.289 4.183 -3.966 + 4289TIP3 H219177 2.430 4.135 -3.968 + 4290TIP3 OH219178 2.386 3.951 -4.203 + 4290TIP3 H119179 2.457 3.981 -4.144 + 4290TIP3 H219180 2.437 3.890 -4.261 + 4291TIP3 OH219181 3.103 4.057 -3.079 + 4291TIP3 H119182 3.036 4.128 -3.068 + 4291TIP3 H219183 3.152 4.094 -3.155 + 4292TIP3 OH219184 2.720 4.141 -3.807 + 4292TIP3 H119185 2.654 4.161 -3.738 + 4292TIP3 H219186 2.786 4.089 -3.757 + 4293TIP3 OH219187 2.694 3.982 -2.912 + 4293TIP3 H119188 2.696 4.061 -2.856 + 4293TIP3 H219189 2.636 4.015 -2.983 + 4294TIP3 OH219190 1.872 4.205 -3.611 + 4294TIP3 H119191 1.852 4.179 -3.702 + 4294TIP3 H219192 1.951 4.153 -3.592 + 4295TIP3 OH219193 1.929 4.066 -3.269 + 4295TIP3 H119194 1.985 4.074 -3.349 + 4295TIP3 H219195 1.959 4.142 -3.215 + 4296TIP3 OH219196 2.618 4.078 -4.056 + 4296TIP3 H119197 2.669 4.102 -3.975 + 4296TIP3 H219198 2.679 4.109 -4.126 + 4297TIP3 OH219199 1.713 4.147 -2.884 + 4297TIP3 H119200 1.724 4.210 -2.809 + 4297TIP3 H219201 1.616 4.139 -2.886 + 4298TIP3 OH219202 2.964 3.241 -4.081 + 4298TIP3 H119203 2.871 3.250 -4.056 + 4298TIP3 H219204 2.988 3.333 -4.100 + 4299TIP3 OH219205 1.763 4.087 -3.861 + 4299TIP3 H119206 1.742 4.166 -3.916 + 4299TIP3 H219207 1.697 4.024 -3.892 + 4300TIP3 OH219208 1.361 4.310 -2.981 + 4300TIP3 H119209 1.357 4.292 -3.076 + 4300TIP3 H219210 1.391 4.223 -2.946 + 4301TIP3 OH219211 2.893 3.839 -2.678 + 4301TIP3 H119212 2.842 3.875 -2.752 + 4301TIP3 H219213 2.898 3.744 -2.704 + 4302TIP3 OH219214 1.910 3.348 -3.289 + 4302TIP3 H119215 1.827 3.342 -3.340 + 4302TIP3 H219216 1.887 3.422 -3.230 + 4303TIP3 OH219217 2.346 3.306 -2.924 + 4303TIP3 H119218 2.399 3.253 -2.861 + 4303TIP3 H219219 2.256 3.272 -2.912 + 4304TIP3 OH219220 2.664 3.686 -2.871 + 4304TIP3 H119221 2.601 3.670 -2.798 + 4304TIP3 H219222 2.653 3.781 -2.889 + 4305TIP3 OH219223 2.816 4.146 -4.251 + 4305TIP3 H119224 2.799 4.153 -4.346 + 4305TIP3 H219225 2.863 4.230 -4.233 + 4306TIP3 OH219226 2.329 3.545 -4.216 + 4306TIP3 H119227 2.273 3.551 -4.138 + 4306TIP3 H219228 2.284 3.476 -4.266 + 4307TIP3 OH219229 1.896 3.824 -3.144 + 4307TIP3 H119230 1.833 3.838 -3.071 + 4307TIP3 H219231 1.904 3.914 -3.182 + 4308TIP3 OH219232 1.889 3.835 -3.661 + 4308TIP3 H119233 1.793 3.826 -3.677 + 4308TIP3 H219234 1.923 3.816 -3.751 + 4309TIP3 OH219235 2.459 3.897 -3.784 + 4309TIP3 H119236 2.412 3.972 -3.823 + 4309TIP3 H219237 2.521 3.872 -3.855 + 4310TIP3 OH219238 2.370 3.922 -2.637 + 4310TIP3 H119239 2.319 3.844 -2.607 + 4310TIP3 H219240 2.459 3.903 -2.601 + 4311TIP3 OH219241 2.534 3.829 -3.507 + 4311TIP3 H119242 2.509 3.884 -3.583 + 4311TIP3 H219243 2.559 3.747 -3.554 + 4312TIP3 OH219244 1.637 3.840 -2.969 + 4312TIP3 H119245 1.653 3.879 -2.882 + 4312TIP3 H219246 1.598 3.754 -2.945 + 4313TIP3 OH219247 2.004 3.580 -4.314 + 4313TIP3 H119248 1.968 3.558 -4.226 + 4313TIP3 H219249 1.931 3.635 -4.349 + 4314TIP3 OH219250 1.316 3.593 -3.602 + 4314TIP3 H119251 1.376 3.586 -3.525 + 4314TIP3 H219252 1.365 3.550 -3.673 + 4315TIP3 OH219253 1.472 3.634 -4.038 + 4315TIP3 H119254 1.527 3.684 -4.102 + 4315TIP3 H219255 1.403 3.700 -4.018 + 4316TIP3 OH219256 2.434 3.997 -3.060 + 4316TIP3 H119257 2.486 3.930 -3.110 + 4316TIP3 H219258 2.403 3.944 -2.985 + 4317TIP3 OH219259 2.167 3.593 -3.557 + 4317TIP3 H119260 2.072 3.591 -3.535 + 4317TIP3 H219261 2.207 3.575 -3.471 + 4318TIP3 OH219262 1.624 3.715 -3.690 + 4318TIP3 H119263 1.541 3.743 -3.734 + 4318TIP3 H219264 1.651 3.637 -3.741 + 4319TIP3 OH219265 1.985 3.755 -3.923 + 4319TIP3 H119266 2.082 3.762 -3.918 + 4319TIP3 H219267 1.960 3.812 -3.998 + 4320TIP3 OH219268 2.604 3.507 -3.255 + 4320TIP3 H119269 2.540 3.509 -3.181 + 4320TIP3 H219270 2.547 3.474 -3.326 + 4321TIP3 OH219271 1.844 3.867 -4.156 + 4321TIP3 H119272 1.781 3.820 -4.214 + 4321TIP3 H219273 1.916 3.890 -4.217 + 4322TIP3 OH219274 1.724 4.316 -2.677 + 4322TIP3 H119275 1.779 4.365 -2.613 + 4322TIP3 H219276 1.643 4.304 -2.624 + 4323TIP3 OH219277 2.267 3.850 -3.375 + 4323TIP3 H119278 2.342 3.807 -3.420 + 4323TIP3 H219279 2.253 3.790 -3.299 + 4324TIP3 OH219280 1.800 3.489 -3.763 + 4324TIP3 H119281 1.743 3.412 -3.747 + 4324TIP3 H219282 1.882 3.450 -3.795 + 4325TIP3 OH219283 2.165 3.695 -3.151 + 4325TIP3 H119284 2.087 3.752 -3.149 + 4325TIP3 H219285 2.214 3.721 -3.071 + 4326TIP3 OH219286 2.148 4.360 -3.946 + 4326TIP3 H119287 2.095 4.294 -3.995 + 4326TIP3 H219288 2.178 4.314 -3.867 + 4327TIP3 OH219289 2.926 4.267 -3.093 + 4327TIP3 H119290 2.950 4.312 -3.176 + 4327TIP3 H219291 2.831 4.255 -3.111 + 4328TIP3 OH219292 2.594 3.611 -4.185 + 4328TIP3 H119293 2.496 3.608 -4.186 + 4328TIP3 H219294 2.616 3.685 -4.126 + 4329TIP3 OH219295 2.655 3.795 -3.985 + 4329TIP3 H119296 2.742 3.775 -3.945 + 4329TIP3 H219297 2.673 3.879 -4.030 + 4330TIP3 OH219298 1.726 4.253 -3.387 + 4330TIP3 H119299 1.781 4.240 -3.467 + 4330TIP3 H219300 1.728 4.164 -3.349 + 4331TIP3 OH219301 1.428 4.078 -2.857 + 4331TIP3 H119302 1.434 4.042 -2.766 + 4331TIP3 H219303 1.350 4.032 -2.894 + 4332TIP3 OH219304 2.115 4.051 -2.651 + 4332TIP3 H119305 2.079 4.027 -2.739 + 4332TIP3 H219306 2.209 4.027 -2.662 + 4333TIP3 OH219307 3.128 3.806 -3.997 + 4333TIP3 H119308 3.067 3.784 -4.070 + 4333TIP3 H219309 3.139 3.901 -4.018 + 4334TIP3 OH219310 2.668 4.183 -3.227 + 4334TIP3 H119311 2.576 4.181 -3.258 + 4334TIP3 H219312 2.715 4.133 -3.296 + 4335TIP3 OH219313 1.537 4.085 -4.197 + 4335TIP3 H119314 1.589 4.155 -4.156 + 4335TIP3 H219315 1.446 4.109 -4.171 + 4336TIP3 OH219316 1.549 3.566 -2.888 + 4336TIP3 H119317 1.459 3.590 -2.916 + 4336TIP3 H219318 1.534 3.477 -2.850 + 4337TIP3 OH219319 1.696 -4.394 -4.009 + 4337TIP3 H119320 1.605 -4.358 -4.004 + 4337TIP3 H219321 1.743 -4.316 -4.041 + 4338TIP3 OH219322 2.446 3.549 -3.035 + 4338TIP3 H119323 2.508 3.575 -2.965 + 4338TIP3 H219324 2.398 3.475 -2.994 + 4339TIP3 OH219325 2.507 3.503 -3.921 + 4339TIP3 H119326 2.538 3.552 -3.999 + 4339TIP3 H219327 2.559 3.543 -3.850 + 4340TIP3 OH219328 2.252 3.696 -3.815 + 4340TIP3 H119329 2.332 3.749 -3.798 + 4340TIP3 H219330 2.222 3.677 -3.724 + 4341TIP3 OH219331 2.293 3.792 -2.898 + 4341TIP3 H119332 2.296 3.840 -2.814 + 4341TIP3 H219333 2.340 3.710 -2.876 + 4342TIP3 OH219334 2.314 3.395 -3.725 + 4342TIP3 H119335 2.294 3.463 -3.657 + 4342TIP3 H219336 2.386 3.439 -3.775 + 4343TIP3 OH219337 1.886 3.502 -4.080 + 4343TIP3 H119338 1.877 3.573 -4.015 + 4343TIP3 H219339 1.961 3.452 -4.043 + 4344TIP3 OH219340 2.917 3.585 -2.810 + 4344TIP3 H119341 2.821 3.597 -2.825 + 4344TIP3 H219342 2.942 3.561 -2.901 + 4345TIP3 OH219343 2.768 3.969 -3.415 + 4345TIP3 H119344 2.684 3.923 -3.435 + 4345TIP3 H219345 2.816 3.901 -3.363 + 4346TIP3 OH219346 1.546 3.808 -4.258 + 4346TIP3 H119347 1.558 3.903 -4.240 + 4346TIP3 H219348 1.453 3.806 -4.289 + 4347TIP3 OH219349 1.633 3.303 -3.371 + 4347TIP3 H119350 1.612 3.303 -3.467 + 4347TIP3 H219351 1.596 3.218 -3.341 + 4348TIP3 OH219352 1.480 4.307 -2.566 + 4348TIP3 H119353 1.457 4.212 -2.564 + 4348TIP3 H219354 1.399 4.351 -2.593 + 4349TIP3 OH219355 2.072 4.328 -2.612 + 4349TIP3 H119356 2.072 4.346 -2.708 + 4349TIP3 H219357 2.103 4.236 -2.609 + 4350TIP3 OH219358 2.672 -4.376 -2.837 + 4350TIP3 H119359 2.750 -4.331 -2.872 + 4350TIP3 H219360 2.602 -4.313 -2.860 + 4351TIP3 OH219361 1.536 4.023 -2.592 + 4351TIP3 H119362 1.615 3.966 -2.600 + 4351TIP3 H219363 1.538 4.045 -2.497 + 4352TIP3 OH219364 2.000 4.156 -4.082 + 4352TIP3 H119365 1.927 4.122 -4.029 + 4352TIP3 H219366 2.014 4.083 -4.145 + 4353TIP3 OH219367 1.912 3.934 -2.850 + 4353TIP3 H119368 1.852 4.010 -2.837 + 4353TIP3 H219369 1.972 3.969 -2.918 + 4354TIP3 OH219370 2.106 3.957 -4.269 + 4354TIP3 H119371 2.103 3.947 -4.365 + 4354TIP3 H219372 2.202 3.965 -4.253 + 4355TIP3 OH219373 2.444 4.216 -2.493 + 4355TIP3 H119374 2.526 4.192 -2.539 + 4355TIP3 H219375 2.402 4.131 -2.477 + 4356TIP3 OH219376 1.968 3.664 -2.742 + 4356TIP3 H119377 1.973 3.598 -2.813 + 4356TIP3 H219378 1.946 3.745 -2.791 + 4357TIP3 OH219379 2.000 3.510 -2.997 + 4357TIP3 H119380 2.051 3.563 -3.061 + 4357TIP3 H219381 1.909 3.514 -3.033 + 4358TIP3 OH219382 2.151 4.068 -2.966 + 4358TIP3 H119383 2.234 4.056 -3.014 + 4358TIP3 H219384 2.114 4.148 -3.006 + 4359TIP3 OH219385 2.615 3.850 -2.478 + 4359TIP3 H119386 2.632 3.755 -2.466 + 4359TIP3 H219387 2.706 3.884 -2.487 + 4360TIP3 OH219388 2.708 4.138 -2.640 + 4360TIP3 H119389 2.685 4.209 -2.704 + 4360TIP3 H219390 2.798 4.116 -2.672 + 4361TIP3 OH219391 1.782 3.850 -2.562 + 4361TIP3 H119392 1.732 3.767 -2.564 + 4361TIP3 H219393 1.864 3.825 -2.606 + 4362TIP3 OH219394 2.072 3.243 -2.961 + 4362TIP3 H119395 2.055 3.338 -2.978 + 4362TIP3 H219396 2.002 3.202 -3.015 + 4363TIP3 OH219397 2.199 3.702 -2.584 + 4363TIP3 H119398 2.164 3.681 -2.495 + 4363TIP3 H219399 2.120 3.682 -2.638 + 4364TIP3 OH219400 2.452 3.608 -2.695 + 4364TIP3 H119401 2.364 3.612 -2.654 + 4364TIP3 H219402 2.498 3.543 -2.638 + 4365TIP3 OH219403 2.638 3.454 -2.523 + 4365TIP3 H119404 2.622 3.359 -2.509 + 4365TIP3 H219405 2.618 3.494 -2.437 + 4366TIP3 OH219406 1.655 3.594 -2.578 + 4366TIP3 H119407 1.646 3.525 -2.645 + 4366TIP3 H219408 1.631 3.546 -2.497 + 4367TIP3 OH219409 2.056 3.192 -2.680 + 4367TIP3 H119410 2.115 3.115 -2.675 + 4367TIP3 H219411 2.053 3.207 -2.776 + 4368TIP3 OH219412 2.151 3.379 -2.495 + 4368TIP3 H119413 2.120 3.319 -2.566 + 4368TIP3 H219414 2.081 3.447 -2.493 + 4369TIP3 OH219415 3.091 4.363 -3.892 + 4369TIP3 H119416 3.185 4.363 -3.911 + 4369TIP3 H219417 3.075 4.277 -3.851 + 4370TIP3 OH219418 3.127 4.130 -3.732 + 4370TIP3 H119419 3.048 4.086 -3.693 + 4370TIP3 H219420 3.180 4.151 -3.654 + 4371TIP3 OH219421 3.144 4.107 -4.106 + 4371TIP3 H119422 3.081 4.137 -4.173 + 4371TIP3 H219423 3.129 4.172 -4.037 + 4372TIP3 OH219424 2.968 3.849 -4.211 + 4372TIP3 H119425 2.995 3.918 -4.274 + 4372TIP3 H219426 2.996 3.769 -4.257 + 4373TIP3 OH219427 2.900 3.966 -3.657 + 4373TIP3 H119428 2.897 3.870 -3.672 + 4373TIP3 H219429 2.864 3.973 -3.566 + 4374TIP3 OH219430 1.387 4.189 -3.260 + 4374TIP3 H119431 1.395 4.203 -3.355 + 4374TIP3 H219432 1.477 4.160 -3.235 + 4375TIP3 OH219433 2.985 4.161 -2.735 + 4375TIP3 H119434 3.059 4.101 -2.711 + 4375TIP3 H219435 3.028 4.245 -2.760 + 4376TIP3 OH219436 3.127 3.965 -2.616 + 4376TIP3 H119437 3.046 3.914 -2.639 + 4376TIP3 H219438 3.195 3.895 -2.615 + 4377TIP3 OH219439 2.887 3.550 -4.321 + 4377TIP3 H119440 2.951 3.501 -4.267 + 4377TIP3 H219441 2.808 3.493 -4.320 + 4378TIP3 OH219442 2.891 3.710 -3.835 + 4378TIP3 H119443 2.916 3.615 -3.829 + 4378TIP3 H219444 2.973 3.747 -3.873 + 4379TIP3 OH219445 2.919 3.771 -3.290 + 4379TIP3 H119446 3.017 3.776 -3.292 + 4379TIP3 H219447 2.905 3.770 -3.194 + 4380TIP3 OH219448 2.938 3.838 -3.003 + 4380TIP3 H119449 2.851 3.875 -2.982 + 4380TIP3 H219450 2.988 3.917 -3.031 + 4381TIP3 OH219451 1.385 3.716 -2.636 + 4381TIP3 H119452 1.479 3.690 -2.638 + 4381TIP3 H219453 1.341 3.630 -2.633 + 4382TIP3 OH219454 3.192 3.253 -2.478 + 4382TIP3 H119455 3.234 3.184 -2.532 + 4382TIP3 H219456 3.196 3.330 -2.537 + 4383TIP3 OH219457 2.938 3.434 -3.832 + 4383TIP3 H119458 2.961 3.395 -3.746 + 4383TIP3 H219459 2.863 3.378 -3.860 + 4384TIP3 OH219460 1.464 3.547 -3.362 + 4384TIP3 H119461 1.509 3.462 -3.351 + 4384TIP3 H219462 1.531 3.608 -3.324 + 4385TIP3 OH219463 1.320 3.813 -3.250 + 4385TIP3 H119464 1.374 3.812 -3.330 + 4385TIP3 H219465 1.350 3.895 -3.208 + 4386TIP3 OH219466 3.131 3.460 -2.654 + 4386TIP3 H119467 3.042 3.499 -2.651 + 4386TIP3 H219468 3.121 3.403 -2.732 + 4387TIP3 OH219469 3.143 3.476 -4.180 + 4387TIP3 H119470 3.174 3.398 -4.227 + 4387TIP3 H219471 3.227 3.524 -4.164 + 4388TIP3 OH219472 1.367 3.447 -3.853 + 4388TIP3 H119473 1.271 3.451 -3.870 + 4388TIP3 H219474 1.403 3.509 -3.920 + 4389TIP3 OH219475 1.372 3.337 -3.034 + 4389TIP3 H119476 1.300 3.310 -2.976 + 4389TIP3 H219477 1.323 3.391 -3.100 + 4390TIP3 OH219478 3.016 3.280 -2.855 + 4390TIP3 H119479 2.936 3.299 -2.907 + 4390TIP3 H219480 3.039 3.191 -2.887 + 4391TIP3 OH219481 2.360 3.430 -3.409 + 4391TIP3 H119482 2.291 3.362 -3.395 + 4391TIP3 H219483 2.421 3.383 -3.469 + 4392TIP3 OH219484 2.857 3.233 -3.362 + 4392TIP3 H119485 2.933 3.277 -3.405 + 4392TIP3 H219486 2.783 3.262 -3.417 + 4393TIP3 OH219487 3.066 3.339 -3.588 + 4393TIP3 H119488 3.148 3.304 -3.627 + 4393TIP3 H219489 3.095 3.429 -3.566 + 4394TIP3 OH219490 1.597 3.302 -3.653 + 4394TIP3 H119491 1.510 3.290 -3.697 + 4394TIP3 H219492 1.638 3.215 -3.668 + 4395TIP3 OH219493 1.475 3.256 -4.081 + 4395TIP3 H119494 1.532 3.322 -4.127 + 4395TIP3 H219495 1.439 3.310 -4.008 + 4396TIP3 OH219496 2.043 3.282 -3.666 + 4396TIP3 H119497 2.133 3.315 -3.679 + 4396TIP3 H219498 2.039 3.276 -3.570 + 4397TIP3 OH219499 2.601 3.289 -3.524 + 4397TIP3 H119500 2.628 3.274 -3.616 + 4397TIP3 H219501 2.564 3.202 -3.500 + 4398TIP3 OH219502 2.706 3.285 -3.919 + 4398TIP3 H119503 2.628 3.332 -3.952 + 4398TIP3 H219504 2.674 3.193 -3.917 + 4399TIP3 OH219505 1.642 3.427 -4.230 + 4399TIP3 H119506 1.700 3.371 -4.283 + 4399TIP3 H219507 1.706 3.480 -4.181 + 4400TIP3 OH219508 2.153 3.445 -3.959 + 4400TIP3 H119509 2.194 3.394 -3.888 + 4400TIP3 H219510 2.176 3.535 -3.930 + 4401TIP3 OH219511 1.574 3.324 -2.700 + 4401TIP3 H119512 1.536 3.242 -2.665 + 4401TIP3 H219513 1.667 3.312 -2.674 + 4402TIP3 OH219514 1.813 3.263 -2.527 + 4402TIP3 H119515 1.895 3.229 -2.567 + 4402TIP3 H219516 1.779 3.184 -2.484 + 4403TIP3 OH219517 2.626 3.174 -2.510 + 4403TIP3 H119518 2.629 3.133 -2.422 + 4403TIP3 H219519 2.720 3.171 -2.536 + 4404TIP3 OH219520 4.185 4.078 -3.321 + 4404TIP3 H119521 4.254 4.107 -3.259 + 4404TIP3 H219522 4.239 4.075 -3.401 + 4405TIP3 OH219523 3.523 4.082 -3.162 + 4405TIP3 H119524 3.512 4.008 -3.100 + 4405TIP3 H219525 3.582 4.139 -3.111 + 4406TIP3 OH219526 3.280 3.888 -3.758 + 4406TIP3 H119527 3.231 3.972 -3.756 + 4406TIP3 H219528 3.217 3.830 -3.804 + 4407TIP3 OH219529 3.380 4.137 -3.572 + 4407TIP3 H119530 3.374 4.054 -3.522 + 4407TIP3 H219531 3.448 4.112 -3.636 + 4408TIP3 OH219532 3.795 3.622 -3.497 + 4408TIP3 H119533 3.766 3.686 -3.565 + 4408TIP3 H219534 3.757 3.540 -3.534 + 4409TIP3 OH219535 3.414 3.878 -3.453 + 4409TIP3 H119536 3.475 3.825 -3.400 + 4409TIP3 H219537 3.416 3.830 -3.537 + 4410TIP3 OH219538 3.628 3.489 -3.092 + 4410TIP3 H119539 3.576 3.525 -3.165 + 4410TIP3 H219540 3.564 3.498 -3.019 + 4411TIP3 OH219541 3.869 4.264 -3.109 + 4411TIP3 H119542 3.796 4.326 -3.123 + 4411TIP3 H219543 3.944 4.325 -3.115 + 4412TIP3 OH219544 3.592 3.692 -3.313 + 4412TIP3 H119545 3.657 3.742 -3.260 + 4412TIP3 H219546 3.652 3.646 -3.376 + 4413TIP3 OH219547 4.031 3.237 -3.363 + 4413TIP3 H119548 4.010 3.142 -3.371 + 4413TIP3 H219549 3.944 3.273 -3.339 + 4414TIP3 OH219550 4.266 4.122 -3.912 + 4414TIP3 H119551 4.198 4.188 -3.936 + 4414TIP3 H219552 4.332 4.140 -3.979 + 4415TIP3 OH219553 4.291 3.967 -4.195 + 4415TIP3 H119554 4.373 3.967 -4.144 + 4415TIP3 H219555 4.297 3.888 -4.248 + 4416TIP3 OH219556 3.779 4.180 -3.595 + 4416TIP3 H119557 3.750 4.183 -3.689 + 4416TIP3 H219558 3.830 4.099 -3.596 + 4417TIP3 OH219559 3.848 4.061 -3.292 + 4417TIP3 H119560 3.898 4.109 -3.359 + 4417TIP3 H219561 3.842 4.130 -3.222 + 4418TIP3 OH219562 3.596 4.149 -2.887 + 4418TIP3 H119563 3.609 4.211 -2.811 + 4418TIP3 H219564 3.500 4.139 -2.885 + 4419TIP3 OH219565 3.643 4.090 -3.849 + 4419TIP3 H119566 3.628 4.166 -3.910 + 4419TIP3 H219567 3.589 4.021 -3.890 + 4420TIP3 OH219568 3.250 4.310 -2.981 + 4420TIP3 H119569 3.242 4.291 -3.076 + 4420TIP3 H219570 3.275 4.223 -2.945 + 4421TIP3 OH219571 3.759 3.332 -3.310 + 4421TIP3 H119572 3.681 3.331 -3.371 + 4421TIP3 H219573 3.729 3.396 -3.244 + 4422TIP3 OH219574 4.233 3.283 -2.864 + 4422TIP3 H119575 4.246 3.212 -2.799 + 4422TIP3 H219576 4.141 3.265 -2.893 + 4423TIP3 OH219577 4.207 3.573 -4.214 + 4423TIP3 H119578 4.162 3.538 -4.136 + 4423TIP3 H219579 4.230 3.491 -4.260 + 4424TIP3 OH219580 3.780 3.825 -3.152 + 4424TIP3 H119581 3.718 3.829 -3.076 + 4424TIP3 H219582 3.784 3.918 -3.181 + 4425TIP3 OH219583 3.799 3.857 -3.645 + 4425TIP3 H119584 3.702 3.857 -3.659 + 4425TIP3 H219585 3.828 3.838 -3.737 + 4426TIP3 OH219586 4.263 3.875 -3.715 + 4426TIP3 H119587 4.266 3.963 -3.757 + 4426TIP3 H219588 4.357 3.852 -3.706 + 4427TIP3 OH219589 4.254 3.922 -2.598 + 4427TIP3 H119590 4.198 3.842 -2.601 + 4427TIP3 H219591 4.340 3.882 -2.619 + 4428TIP3 OH219592 3.521 3.842 -2.969 + 4428TIP3 H119593 3.540 3.876 -2.881 + 4428TIP3 H219594 3.482 3.755 -2.948 + 4429TIP3 OH219595 3.888 3.578 -4.323 + 4429TIP3 H119596 3.862 3.560 -4.231 + 4429TIP3 H219597 3.815 3.637 -4.351 + 4430TIP3 OH219598 3.213 3.596 -3.588 + 4430TIP3 H119599 3.277 3.569 -3.520 + 4430TIP3 H219600 3.248 3.553 -3.668 + 4431TIP3 OH219601 3.355 3.631 -4.044 + 4431TIP3 H119602 3.414 3.683 -4.103 + 4431TIP3 H219603 3.290 3.698 -4.017 + 4432TIP3 OH219604 4.349 3.962 -3.027 + 4432TIP3 H119605 4.371 3.898 -3.098 + 4432TIP3 H219606 4.274 3.916 -2.986 + 4433TIP3 OH219607 3.526 3.722 -3.689 + 4433TIP3 H119608 3.439 3.738 -3.730 + 4433TIP3 H219609 3.551 3.636 -3.728 + 4434TIP3 OH219610 3.868 3.776 -3.909 + 4434TIP3 H119611 3.963 3.758 -3.919 + 4434TIP3 H219612 3.842 3.811 -3.996 + 4435TIP3 OH219613 3.731 3.868 -4.156 + 4435TIP3 H119614 3.670 3.818 -4.213 + 4435TIP3 H219615 3.804 3.889 -4.216 + 4436TIP3 OH219616 3.607 4.314 -2.676 + 4436TIP3 H119617 3.666 4.363 -2.616 + 4436TIP3 H219618 3.528 4.305 -2.618 + 4437TIP3 OH219619 3.682 3.482 -3.780 + 4437TIP3 H119620 3.630 3.418 -3.728 + 4437TIP3 H219621 3.766 3.435 -3.789 + 4438TIP3 OH219622 4.039 3.713 -3.179 + 4438TIP3 H119623 3.968 3.758 -3.130 + 4438TIP3 H219624 4.115 3.728 -3.119 + 4439TIP3 OH219625 4.070 4.330 -3.951 + 4439TIP3 H119626 3.995 4.288 -3.998 + 4439TIP3 H219627 4.043 4.325 -3.858 + 4440TIP3 OH219628 3.621 4.255 -3.387 + 4440TIP3 H119629 3.679 4.236 -3.463 + 4440TIP3 H219630 3.605 4.166 -3.352 + 4441TIP3 OH219631 3.310 4.079 -2.854 + 4441TIP3 H119632 3.319 4.039 -2.766 + 4441TIP3 H219633 3.237 4.029 -2.895 + 4442TIP3 OH219634 4.001 4.048 -2.649 + 4442TIP3 H119635 3.970 4.021 -2.737 + 4442TIP3 H219636 4.097 4.032 -2.655 + 4443TIP3 OH219637 3.422 4.086 -4.197 + 4443TIP3 H119638 3.476 4.155 -4.157 + 4443TIP3 H219639 3.332 4.111 -4.171 + 4444TIP3 OH219640 3.435 3.566 -2.888 + 4444TIP3 H119641 3.346 3.590 -2.919 + 4444TIP3 H219642 3.420 3.477 -2.852 + 4445TIP3 OH219643 3.581 -4.393 -4.007 + 4445TIP3 H119644 3.490 -4.357 -4.005 + 4445TIP3 H219645 3.629 -4.318 -4.045 + 4446TIP3 OH219646 4.331 3.593 -2.983 + 4446TIP3 H119647 4.388 3.522 -2.955 + 4446TIP3 H219648 4.276 3.547 -3.048 + 4447TIP3 OH219649 4.118 3.668 -3.803 + 4447TIP3 H119650 4.188 3.736 -3.794 + 4447TIP3 H219651 4.093 3.663 -3.711 + 4448TIP3 OH219652 4.169 3.791 -2.896 + 4448TIP3 H119653 4.186 3.830 -2.810 + 4448TIP3 H219654 4.231 3.716 -2.899 + 4449TIP3 OH219655 4.189 3.392 -3.696 + 4449TIP3 H119656 4.188 3.472 -3.642 + 4449TIP3 H219657 4.268 3.412 -3.750 + 4450TIP3 OH219658 3.775 3.506 -4.086 + 4450TIP3 H119659 3.753 3.564 -4.010 + 4450TIP3 H219660 3.844 3.450 -4.049 + 4451TIP3 OH219661 3.432 3.809 -4.261 + 4451TIP3 H119662 3.444 3.904 -4.241 + 4451TIP3 H219663 3.338 3.806 -4.287 + 4452TIP3 OH219664 3.360 4.306 -2.557 + 4452TIP3 H119665 3.349 4.210 -2.569 + 4452TIP3 H219666 3.284 4.345 -2.603 + 4453TIP3 OH219667 3.956 4.332 -2.610 + 4453TIP3 H119668 3.960 4.346 -2.707 + 4453TIP3 H219669 3.996 4.244 -2.601 + 4454TIP3 OH219670 3.423 4.028 -2.592 + 4454TIP3 H119671 3.500 3.968 -2.601 + 4454TIP3 H219672 3.421 4.042 -2.496 + 4455TIP3 OH219673 3.878 4.159 -4.079 + 4455TIP3 H119674 3.812 4.113 -4.026 + 4455TIP3 H219675 3.903 4.090 -4.143 + 4456TIP3 OH219676 3.799 3.934 -2.855 + 4456TIP3 H119677 3.740 4.009 -2.835 + 4456TIP3 H219678 3.858 3.973 -2.922 + 4457TIP3 OH219679 3.999 3.957 -4.270 + 4457TIP3 H119680 3.987 3.955 -4.366 + 4457TIP3 H219681 4.092 3.983 -4.263 + 4458TIP3 OH219682 4.277 4.197 -2.493 + 4458TIP3 H119683 4.348 4.175 -2.553 + 4458TIP3 H219684 4.252 4.109 -2.463 + 4459TIP3 OH219685 3.858 3.664 -2.740 + 4459TIP3 H119686 3.862 3.599 -2.812 + 4459TIP3 H219687 3.837 3.746 -2.788 + 4460TIP3 OH219688 3.889 3.515 -3.002 + 4460TIP3 H119689 3.934 3.563 -3.073 + 4460TIP3 H219690 3.797 3.510 -3.034 + 4461TIP3 OH219691 4.052 4.060 -2.977 + 4461TIP3 H119692 4.133 4.056 -3.029 + 4461TIP3 H219693 4.021 4.150 -2.994 + 4462TIP3 OH219694 3.667 3.851 -2.566 + 4462TIP3 H119695 3.617 3.767 -2.564 + 4462TIP3 H219696 3.751 3.823 -2.605 + 4463TIP3 OH219697 3.973 3.249 -2.961 + 4463TIP3 H119698 3.947 3.342 -2.977 + 4463TIP3 H219699 3.906 3.202 -3.016 + 4464TIP3 OH219700 4.103 3.694 -2.589 + 4464TIP3 H119701 4.069 3.670 -2.502 + 4464TIP3 H219702 4.027 3.671 -2.645 + 4465TIP3 OH219703 3.540 3.595 -2.579 + 4465TIP3 H119704 3.530 3.524 -2.645 + 4465TIP3 H219705 3.517 3.546 -2.497 + 4466TIP3 OH219706 3.945 3.194 -2.678 + 4466TIP3 H119707 4.005 3.118 -2.674 + 4466TIP3 H219708 3.941 3.208 -2.775 + 4467TIP3 OH219709 4.036 3.375 -2.485 + 4467TIP3 H119710 4.008 3.319 -2.560 + 4467TIP3 H219711 3.971 3.447 -2.488 + 4468TIP3 OH219712 3.274 4.187 -3.259 + 4468TIP3 H119713 3.281 4.200 -3.355 + 4468TIP3 H219714 3.365 4.160 -3.236 + 4469TIP3 OH219715 3.271 3.717 -2.634 + 4469TIP3 H119716 3.364 3.689 -2.638 + 4469TIP3 H219717 3.226 3.631 -2.633 + 4470TIP3 OH219718 3.352 3.529 -3.307 + 4470TIP3 H119719 3.390 3.454 -3.358 + 4470TIP3 H219720 3.425 3.593 -3.316 + 4471TIP3 OH219721 3.201 3.818 -3.253 + 4471TIP3 H119722 3.260 3.809 -3.330 + 4471TIP3 H219723 3.238 3.896 -3.210 + 4472TIP3 OH219724 3.243 3.465 -3.841 + 4472TIP3 H119725 3.152 3.454 -3.874 + 4472TIP3 H219726 3.289 3.506 -3.916 + 4473TIP3 OH219727 3.258 3.338 -3.026 + 4473TIP3 H119728 3.180 3.311 -2.976 + 4473TIP3 H219729 3.219 3.386 -3.101 + 4474TIP3 OH219730 4.252 3.407 -3.406 + 4474TIP3 H119731 4.172 3.353 -3.393 + 4474TIP3 H219732 4.295 3.362 -3.480 + 4475TIP3 OH219733 3.349 3.263 -4.090 + 4475TIP3 H119734 3.416 3.324 -4.127 + 4475TIP3 H219735 3.334 3.300 -4.002 + 4476TIP3 OH219736 3.930 3.293 -3.668 + 4476TIP3 H119737 4.026 3.311 -3.671 + 4476TIP3 H219738 3.917 3.276 -3.574 + 4477TIP3 OH219739 3.527 3.429 -4.233 + 4477TIP3 H119740 3.586 3.370 -4.283 + 4477TIP3 H219741 3.592 3.483 -4.184 + 4478TIP3 OH219742 4.062 3.446 -3.965 + 4478TIP3 H119743 4.065 3.388 -3.888 + 4478TIP3 H219744 4.061 3.534 -3.923 + 4479TIP3 OH219745 3.459 3.326 -2.696 + 4479TIP3 H119746 3.420 3.243 -2.664 + 4479TIP3 H219747 3.553 3.311 -2.674 + 4480TIP3 OH219748 3.700 3.264 -2.526 + 4480TIP3 H119749 3.782 3.228 -2.565 + 4480TIP3 H219750 3.664 3.184 -2.484 + 4481TIP3 OH219751 -3.161 -3.368 -1.741 + 4481TIP3 H119752 -3.159 -3.272 -1.728 + 4481TIP3 H219753 -3.237 -3.377 -1.801 + 4482TIP3 OH219754 -3.277 -3.422 -1.435 + 4482TIP3 H119755 -3.276 -3.477 -1.355 + 4482TIP3 H219756 -3.300 -3.486 -1.503 + 4483TIP3 OH219757 -2.913 -3.148 -1.603 + 4483TIP3 H119758 -2.944 -3.217 -1.543 + 4483TIP3 H219759 -2.869 -3.088 -1.540 + 4484TIP3 OH219760 -3.959 -3.003 -1.422 + 4484TIP3 H119761 -3.984 -3.095 -1.439 + 4484TIP3 H219762 -3.865 -3.014 -1.400 + 4485TIP3 OH219763 -4.199 -3.570 -1.855 + 4485TIP3 H119764 -4.260 -3.495 -1.861 + 4485TIP3 H219765 -4.259 -3.645 -1.845 + 4486TIP3 OH219766 -3.203 -2.613 -1.545 + 4486TIP3 H119767 -3.144 -2.682 -1.579 + 4486TIP3 H219768 -3.227 -2.649 -1.459 + 4487TIP3 OH219769 -3.427 -3.172 -1.378 + 4487TIP3 H119770 -3.392 -3.244 -1.434 + 4487TIP3 H219771 -3.345 -3.155 -1.326 + 4488TIP3 OH219772 -2.570 -4.018 -1.320 + 4488TIP3 H119773 -2.537 -3.971 -1.242 + 4488TIP3 H219774 -2.506 -3.987 -1.387 + 4489TIP3 OH219775 -3.099 -3.741 -1.326 + 4489TIP3 H119776 -3.077 -3.835 -1.325 + 4489TIP3 H219777 -3.105 -3.724 -1.421 + 4490TIP3 OH219778 -3.804 -3.941 -1.614 + 4490TIP3 H119779 -3.784 -3.857 -1.660 + 4490TIP3 H219780 -3.833 -3.996 -1.689 + 4491TIP3 OH219781 -3.011 -3.922 -1.784 + 4491TIP3 H119782 -2.950 -3.964 -1.720 + 4491TIP3 H219783 -2.947 -3.877 -1.842 + 4492TIP3 OH219784 -4.136 -3.626 -1.544 + 4492TIP3 H119785 -4.080 -3.697 -1.505 + 4492TIP3 H219786 -4.132 -3.652 -1.638 + 4493TIP3 OH219787 -3.603 -3.526 -1.611 + 4493TIP3 H119788 -3.526 -3.576 -1.579 + 4493TIP3 H219789 -3.646 -3.593 -1.669 + 4494TIP3 OH219790 -2.478 -3.851 -1.058 + 4494TIP3 H119791 -2.552 -3.796 -1.090 + 4494TIP3 H219792 -2.513 -3.886 -0.976 + 4495TIP3 OH219793 -3.916 -4.046 -1.202 + 4495TIP3 H119794 -3.959 -4.005 -1.278 + 4495TIP3 H219795 -3.985 -4.033 -1.134 + 4496TIP3 OH219796 -3.172 -3.084 -1.864 + 4496TIP3 H119797 -3.201 -3.102 -1.953 + 4496TIP3 H219798 -3.214 -2.999 -1.845 + 4497TIP3 OH219799 -3.627 -3.271 -1.192 + 4497TIP3 H119800 -3.698 -3.209 -1.166 + 4497TIP3 H219801 -3.562 -3.211 -1.234 + 4498TIP3 OH219802 -2.824 -4.014 -1.581 + 4498TIP3 H119803 -2.872 -4.059 -1.510 + 4498TIP3 H219804 -2.771 -3.950 -1.530 + 4499TIP3 OH219805 -3.967 -3.836 -1.419 + 4499TIP3 H119806 -3.899 -3.789 -1.366 + 4499TIP3 H219807 -3.910 -3.879 -1.486 + 4500TIP3 OH219808 -3.826 -3.081 -1.122 + 4500TIP3 H119809 -3.829 -2.987 -1.148 + 4500TIP3 H219810 -3.914 -3.090 -1.079 + 4501TIP3 OH219811 -4.185 -3.122 -2.024 + 4501TIP3 H119812 -4.263 -3.102 -2.078 + 4501TIP3 H219813 -4.189 -3.054 -1.954 + 4502TIP3 OH219814 -2.864 -2.983 -1.340 + 4502TIP3 H119815 -2.950 -2.940 -1.355 + 4502TIP3 H219816 -2.803 -2.925 -1.389 + 4503TIP3 OH219817 -2.808 -4.111 -1.181 + 4503TIP3 H119818 -2.888 -4.077 -1.224 + 4503TIP3 H219819 -2.741 -4.096 -1.250 + 4504TIP3 OH219820 -3.496 4.382 -1.473 + 4504TIP3 H119821 -3.501 4.285 -1.469 + 4504TIP3 H219822 -3.586 4.411 -1.448 + 4505TIP3 OH219823 -3.023 -2.772 -1.700 + 4505TIP3 H119824 -2.974 -2.853 -1.725 + 4505TIP3 H219825 -2.952 -2.705 -1.704 + 4506TIP3 OH219826 -2.876 -2.986 -1.838 + 4506TIP3 H119827 -2.930 -3.037 -1.900 + 4506TIP3 H219828 -2.874 -3.047 -1.762 + 4507TIP3 OH219829 -2.726 -3.105 -0.986 + 4507TIP3 H119830 -2.727 -3.167 -1.061 + 4507TIP3 H219831 -2.709 -3.020 -1.031 + 4508TIP3 OH219832 -3.297 -3.416 -2.016 + 4508TIP3 H119833 -3.361 -3.353 -2.054 + 4508TIP3 H219834 -3.223 -3.409 -2.079 + 4509TIP3 OH219835 -3.267 -3.595 -2.311 + 4509TIP3 H119836 -3.199 -3.565 -2.249 + 4509TIP3 H219837 -3.214 -3.653 -2.368 + 4510TIP3 OH219838 -2.547 -3.491 -1.193 + 4510TIP3 H119839 -2.614 -3.420 -1.186 + 4510TIP3 H219840 -2.495 -3.456 -1.269 + 4511TIP3 OH219841 -2.945 -3.417 -1.908 + 4511TIP3 H119842 -3.011 -3.393 -1.839 + 4511TIP3 H219843 -2.882 -3.469 -1.855 + 4512TIP3 OH219844 -2.961 -3.562 -1.025 + 4512TIP3 H119845 -2.954 -3.482 -0.970 + 4512TIP3 H219846 -3.022 -3.528 -1.093 + 4513TIP3 OH219847 -3.788 -3.334 -1.725 + 4513TIP3 H119848 -3.819 -3.378 -1.807 + 4513TIP3 H219849 -3.722 -3.398 -1.693 + 4514TIP3 OH219850 -3.651 -3.001 -1.455 + 4514TIP3 H119851 -3.655 -3.035 -1.546 + 4514TIP3 H219852 -3.569 -3.044 -1.422 + 4515TIP3 OH219853 -3.755 -3.448 -1.382 + 4515TIP3 H119854 -3.690 -3.458 -1.454 + 4515TIP3 H219855 -3.706 -3.394 -1.317 + 4516TIP3 OH219856 -3.154 -2.897 -1.323 + 4516TIP3 H119857 -3.132 -2.835 -1.251 + 4516TIP3 H219858 -3.155 -2.984 -1.278 + 4517TIP3 OH219859 -3.643 -3.026 -0.897 + 4517TIP3 H119860 -3.693 -2.959 -0.848 + 4517TIP3 H219861 -3.706 -3.050 -0.967 + 4518TIP3 OH219862 -3.049 -3.471 -2.162 + 4518TIP3 H119863 -3.002 -3.443 -2.080 + 4518TIP3 H219864 -2.999 -3.419 -2.230 + 4519TIP3 OH219865 -3.964 -3.383 -1.005 + 4519TIP3 H119866 -3.953 -3.329 -0.924 + 4519TIP3 H219867 -4.061 -3.395 -1.008 + 4520TIP3 OH219868 -3.307 -2.811 -1.805 + 4520TIP3 H119869 -3.252 -2.783 -1.730 + 4520TIP3 H219870 -3.352 -2.729 -1.831 + 4521TIP3 OH219871 -3.836 -2.808 -0.814 + 4521TIP3 H119872 -3.843 -2.803 -0.911 + 4521TIP3 H219873 -3.927 -2.826 -0.785 + 4522TIP3 OH219874 -2.731 -4.320 -2.241 + 4522TIP3 H119875 -2.770 -4.324 -2.152 + 4522TIP3 H219876 -2.651 -4.270 -2.221 + 4523TIP3 OH219877 -3.885 -3.463 -1.981 + 4523TIP3 H119878 -3.914 -3.386 -2.032 + 4523TIP3 H219879 -3.961 -3.522 -1.988 + 4524TIP3 OH219880 -2.566 -2.880 -2.363 + 4524TIP3 H119881 -2.550 -2.788 -2.335 + 4524TIP3 H219882 -2.480 -2.922 -2.341 + 4525TIP3 OH219883 -4.262 -3.210 -1.144 + 4525TIP3 H119884 -4.343 -3.198 -1.193 + 4525TIP3 H219885 -4.297 -3.254 -1.064 + 4526TIP3 OH219886 -4.286 -2.920 -1.415 + 4526TIP3 H119887 -4.191 -2.935 -1.407 + 4526TIP3 H219888 -4.301 -2.850 -1.350 + 4527TIP3 OH219889 -2.440 -2.838 -0.830 + 4527TIP3 H119890 -2.448 -2.930 -0.859 + 4527TIP3 H219891 -2.532 -2.817 -0.805 + 4528TIP3 OH219892 -3.378 -2.920 -0.954 + 4528TIP3 H119893 -3.369 -2.837 -0.902 + 4528TIP3 H219894 -3.468 -2.949 -0.930 + 4529TIP3 OH219895 -3.352 -2.537 -1.957 + 4529TIP3 H119896 -3.347 -2.528 -2.054 + 4529TIP3 H219897 -3.342 -2.445 -1.927 + 4530TIP3 OH219898 -3.976 -2.625 -1.794 + 4530TIP3 H119899 -3.953 -2.666 -1.709 + 4530TIP3 H219900 -4.057 -2.675 -1.814 + 4531TIP3 OH219901 -3.019 -2.591 -2.241 + 4531TIP3 H119902 -2.962 -2.657 -2.286 + 4531TIP3 H219903 -3.024 -2.629 -2.151 + 4532TIP3 OH219904 -3.079 -2.654 -1.963 + 4532TIP3 H119905 -3.173 -2.640 -1.943 + 4532TIP3 H219906 -3.058 -2.722 -1.896 + 4533TIP3 OH219907 -2.764 -3.710 -0.794 + 4533TIP3 H119908 -2.812 -3.668 -0.867 + 4533TIP3 H219909 -2.756 -3.802 -0.825 + 4534TIP3 OH219910 -4.071 -3.042 -0.975 + 4534TIP3 H119911 -4.037 -3.097 -0.903 + 4534TIP3 H219912 -4.141 -3.097 -1.015 + 4535TIP3 OH219913 -3.753 -4.222 -1.387 + 4535TIP3 H119914 -3.839 -4.231 -1.431 + 4535TIP3 H219915 -3.765 -4.136 -1.344 + 4536TIP3 OH219916 -3.290 -4.262 -1.031 + 4536TIP3 H119917 -3.270 -4.309 -0.950 + 4536TIP3 H219918 -3.385 -4.278 -1.040 + 4537TIP3 OH219919 -2.995 -3.864 -0.991 + 4537TIP3 H119920 -3.051 -3.874 -0.912 + 4537TIP3 H219921 -2.997 -3.768 -1.007 + 4538TIP3 OH219922 -2.895 -3.363 -2.362 + 4538TIP3 H119923 -2.913 -3.380 -2.457 + 4538TIP3 H219924 -2.801 -3.337 -2.366 + 4539TIP3 OH219925 -3.329 -3.993 -2.316 + 4539TIP3 H119926 -3.383 -4.004 -2.235 + 4539TIP3 H219927 -3.378 -4.054 -2.375 + 4540TIP3 OH219928 -3.767 -3.718 -1.263 + 4540TIP3 H119929 -3.819 -3.704 -1.182 + 4540TIP3 H219930 -3.757 -3.627 -1.295 + 4541TIP3 OH219931 -3.769 -3.710 -1.772 + 4541TIP3 H119932 -3.864 -3.717 -1.791 + 4541TIP3 H219933 -3.732 -3.726 -1.861 + 4542TIP3 OH219934 -3.207 -3.652 -1.898 + 4542TIP3 H119935 -3.247 -3.569 -1.930 + 4542TIP3 H219936 -3.138 -3.667 -1.965 + 4543TIP3 OH219937 -3.288 -3.632 -0.763 + 4543TIP3 H119938 -3.338 -3.707 -0.725 + 4543TIP3 H219939 -3.201 -3.642 -0.721 + 4544TIP3 OH219940 -3.123 -3.712 -1.618 + 4544TIP3 H119941 -3.150 -3.653 -1.691 + 4544TIP3 H219942 -3.101 -3.792 -1.669 + 4545TIP3 OH219943 -4.045 -3.685 -1.097 + 4545TIP3 H119944 -3.991 -3.647 -1.027 + 4545TIP3 H219945 -4.053 -3.778 -1.071 + 4546TIP3 OH219946 -3.690 -3.940 -2.420 + 4546TIP3 H119947 -3.723 -3.978 -2.337 + 4546TIP3 H219948 -3.769 -3.928 -2.473 + 4547TIP3 OH219949 -4.321 -3.928 -1.709 + 4547TIP3 H119950 -4.300 -3.964 -1.620 + 4547TIP3 H219951 -4.302 -4.002 -1.766 + 4548TIP3 OH219952 -4.213 -3.877 -2.124 + 4548TIP3 H119953 -4.155 -3.861 -2.201 + 4548TIP3 H219954 -4.300 -3.864 -2.164 + 4549TIP3 OH219955 -3.217 -3.545 -1.175 + 4549TIP3 H119956 -3.169 -3.616 -1.223 + 4549TIP3 H219957 -3.240 -3.590 -1.093 + 4550TIP3 OH219958 -3.490 -3.941 -1.675 + 4550TIP3 H119959 -3.583 -3.961 -1.653 + 4550TIP3 H219960 -3.445 -3.971 -1.594 + 4551TIP3 OH219961 -4.032 -3.826 -1.811 + 4551TIP3 H119962 -4.117 -3.821 -1.856 + 4551TIP3 H219963 -3.997 -3.911 -1.842 + 4552TIP3 OH219964 -3.672 -3.791 -2.035 + 4552TIP3 H119965 -3.575 -3.786 -2.029 + 4552TIP3 H219966 -3.694 -3.730 -2.106 + 4553TIP3 OH219967 -3.056 -4.033 -1.370 + 4553TIP3 H119968 -3.120 -4.035 -1.296 + 4553TIP3 H219969 -3.114 -4.063 -1.442 + 4554TIP3 OH219970 -3.826 -3.668 -2.261 + 4554TIP3 H119971 -3.882 -3.700 -2.334 + 4554TIP3 H219972 -3.743 -3.647 -2.307 + 4555TIP3 OH219973 -2.752 -2.455 -0.704 + 4555TIP3 H119974 -2.727 -2.412 -0.787 + 4555TIP3 H219975 -2.682 -2.425 -0.644 + 4556TIP3 OH219976 -3.952 -3.200 -0.766 + 4556TIP3 H119977 -3.889 -3.196 -0.691 + 4556TIP3 H219978 -4.036 -3.188 -0.716 + 4557TIP3 OH219979 -3.390 -3.694 -1.490 + 4557TIP3 H119980 -3.316 -3.734 -1.537 + 4557TIP3 H219981 -3.404 -3.756 -1.416 + 4558TIP3 OH219982 -3.880 -4.061 -1.866 + 4558TIP3 H119983 -3.921 -4.148 -1.853 + 4558TIP3 H219984 -3.794 -4.084 -1.903 + 4559TIP3 OH219985 -3.493 -3.851 -1.262 + 4559TIP3 H119986 -3.567 -3.789 -1.263 + 4559TIP3 H219987 -3.441 -3.823 -1.184 + 4560TIP3 OH219988 -3.479 -3.208 -2.076 + 4560TIP3 H119989 -3.555 -3.260 -2.110 + 4560TIP3 H219990 -3.497 -3.204 -1.979 + 4561TIP3 OH219991 -2.741 -3.282 -1.215 + 4561TIP3 H119992 -2.697 -3.227 -1.281 + 4561TIP3 H219993 -2.829 -3.292 -1.255 + 4562TIP3 OH219994 -3.061 -3.931 -2.313 + 4562TIP3 H119995 -3.159 -3.938 -2.310 + 4562TIP3 H219996 -3.041 -3.863 -2.246 + 4563TIP3 OH219997 -3.320 -3.212 -0.942 + 4563TIP3 H119998 -3.341 -3.238 -0.852 + 4563TIP3 H219999 -3.342 -3.117 -0.943 + 4564TIP3 OH220000 -2.996 -3.749 -2.099 + 4564TIP3 H120001 -2.910 -3.763 -2.054 + 4564TIP3 H220002 -2.985 -3.659 -2.135 + 4565TIP3 OH220003 -3.985 -3.314 -1.485 + 4565TIP3 H120004 -3.945 -3.288 -1.570 + 4565TIP3 H220005 -3.909 -3.363 -1.446 + 4566TIP3 OH220006 -3.238 -3.073 -2.183 + 4566TIP3 H120007 -3.263 -2.987 -2.144 + 4566TIP3 H220008 -3.313 -3.128 -2.155 + 4567TIP3 OH220009 -4.243 -3.431 -0.941 + 4567TIP3 H120010 -4.227 -3.491 -0.866 + 4567TIP3 H220011 -4.295 -3.486 -1.002 + 4568TIP3 OH220012 -3.542 -3.496 -0.772 + 4568TIP3 H120013 -3.567 -3.515 -0.864 + 4568TIP3 H220014 -3.448 -3.521 -0.774 + 4569TIP3 OH220015 -3.089 -2.955 -0.995 + 4569TIP3 H120016 -3.185 -2.940 -1.002 + 4569TIP3 H220017 -3.069 -2.923 -0.905 + 4570TIP3 OH220018 -2.534 -3.746 -2.118 + 4570TIP3 H120019 -2.591 -3.764 -2.196 + 4570TIP3 H220020 -2.522 -3.650 -2.131 + 4571TIP3 OH220021 -2.490 -3.144 -0.838 + 4571TIP3 H120022 -2.583 -3.118 -0.857 + 4571TIP3 H220023 -2.457 -3.158 -0.929 + 4572TIP3 OH220024 -2.724 -2.888 -2.117 + 4572TIP3 H120025 -2.737 -2.958 -2.052 + 4572TIP3 H220026 -2.656 -2.924 -2.175 + 4573TIP3 OH220027 -2.987 -3.352 -1.367 + 4573TIP3 H120028 -3.080 -3.365 -1.393 + 4573TIP3 H220029 -2.943 -3.422 -1.418 + 4574TIP3 OH220030 -3.729 -2.941 -1.764 + 4574TIP3 H120031 -3.684 -2.857 -1.778 + 4574TIP3 H220032 -3.819 -2.920 -1.793 + 4575TIP3 OH220033 -4.155 -3.447 -2.289 + 4575TIP3 H120034 -4.081 -3.392 -2.256 + 4575TIP3 H220035 -4.227 -3.384 -2.282 + 4576TIP3 OH220036 -3.545 -3.174 -1.806 + 4576TIP3 H120037 -3.569 -3.082 -1.790 + 4576TIP3 H220038 -3.616 -3.222 -1.761 + 4577TIP3 OH220039 -3.527 -2.746 -1.169 + 4577TIP3 H120040 -3.470 -2.673 -1.198 + 4577TIP3 H220041 -3.464 -2.798 -1.116 + 4578TIP3 OH220042 -3.682 -2.652 -1.845 + 4578TIP3 H120043 -3.777 -2.636 -1.838 + 4578TIP3 H220044 -3.646 -2.564 -1.821 + 4579TIP3 OH220045 -3.187 -3.174 -1.215 + 4579TIP3 H120046 -3.211 -3.199 -1.124 + 4579TIP3 H220047 -3.109 -3.230 -1.232 + 4580TIP3 OH220048 -2.971 -3.043 -2.322 + 4580TIP3 H120049 -2.925 -3.084 -2.246 + 4580TIP3 H220050 -3.063 -3.057 -2.293 + 4581TIP3 OH220051 -2.898 -2.712 -0.968 + 4581TIP3 H120052 -2.970 -2.757 -1.017 + 4581TIP3 H220053 -2.878 -2.637 -1.027 + 4582TIP3 OH220054 -2.496 -2.615 -2.268 + 4582TIP3 H120055 -2.426 -2.550 -2.286 + 4582TIP3 H220056 -2.572 -2.554 -2.263 + 4583TIP3 OH220057 -4.103 -3.956 -1.012 + 4583TIP3 H120058 -4.191 -3.916 -1.006 + 4583TIP3 H220059 -4.117 -4.042 -0.965 + 4584TIP3 OH220060 -2.874 -3.182 -2.083 + 4584TIP3 H120061 -2.898 -3.254 -2.021 + 4584TIP3 H220062 -2.777 -3.181 -2.073 + 4585TIP3 OH220063 -4.129 -2.801 -1.160 + 4585TIP3 H120064 -4.103 -2.893 -1.147 + 4585TIP3 H220065 -4.097 -2.762 -1.077 + 4586TIP3 OH220066 -3.546 -2.937 -2.464 + 4586TIP3 H120067 -3.514 -3.016 -2.512 + 4586TIP3 H220068 -3.586 -2.977 -2.385 + 4587TIP3 OH220069 -3.663 -2.986 -2.190 + 4587TIP3 H120070 -3.609 -3.038 -2.129 + 4587TIP3 H220071 -3.647 -2.894 -2.159 + 4588TIP3 OH220072 -3.989 -3.243 -2.159 + 4588TIP3 H120073 -4.057 -3.202 -2.101 + 4588TIP3 H220074 -3.937 -3.164 -2.181 + 4589TIP3 OH220075 -3.217 -4.007 -1.140 + 4589TIP3 H120076 -3.152 -3.980 -1.074 + 4589TIP3 H220077 -3.250 -4.092 -1.106 + 4590TIP3 OH220078 -3.136 -4.056 -2.026 + 4590TIP3 H120079 -3.128 -3.996 -2.102 + 4590TIP3 H220080 -3.099 -4.002 -1.954 + 4591TIP3 OH220081 -3.368 -2.825 -2.130 + 4591TIP3 H120082 -3.447 -2.772 -2.110 + 4591TIP3 H220083 -3.327 -2.773 -2.200 + 4592TIP3 OH220084 -3.403 -3.852 -1.927 + 4592TIP3 H120085 -3.329 -3.789 -1.914 + 4592TIP3 H220086 -3.432 -3.867 -1.835 + 4593TIP3 OH220087 -3.372 -3.762 -1.013 + 4593TIP3 H120088 -3.360 -3.710 -0.931 + 4593TIP3 H220089 -3.313 -3.837 -0.998 + 4594TIP3 OH220090 -3.332 -4.174 -1.828 + 4594TIP3 H120091 -3.364 -4.099 -1.774 + 4594TIP3 H220092 -3.275 -4.128 -1.893 + 4595TIP3 OH220093 -3.647 -2.714 -2.129 + 4595TIP3 H120094 -3.651 -2.633 -2.184 + 4595TIP3 H220095 -3.658 -2.680 -2.039 + 4596TIP3 OH220096 -3.776 -4.050 -2.175 + 4596TIP3 H120097 -3.771 -3.967 -2.124 + 4596TIP3 H220098 -3.688 -4.088 -2.153 + 4597TIP3 OH220099 -2.732 -3.963 -0.932 + 4597TIP3 H120100 -2.828 -3.953 -0.943 + 4597TIP3 H220101 -2.709 -3.987 -1.023 + 4598TIP3 OH220102 -2.890 -3.574 -1.522 + 4598TIP3 H120103 -2.971 -3.621 -1.550 + 4598TIP3 H220104 -2.840 -3.645 -1.476 + 4599TIP3 OH220105 -3.932 -2.959 -2.275 + 4599TIP3 H120106 -3.857 -2.914 -2.234 + 4599TIP3 H220107 -3.885 -3.014 -2.339 + 4600TIP3 OH220108 -4.119 -3.749 -2.356 + 4600TIP3 H120109 -4.105 -3.654 -2.342 + 4600TIP3 H220110 -4.192 -3.753 -2.419 + 4601TIP3 OH220111 -2.799 -2.680 -1.373 + 4601TIP3 H120112 -2.798 -2.600 -1.429 + 4601TIP3 H220113 -2.705 -2.701 -1.367 + 4602TIP3 OH220114 -4.078 -4.237 -1.465 + 4602TIP3 H120115 -4.058 -4.259 -1.557 + 4602TIP3 H220116 -4.112 -4.322 -1.433 + 4603TIP3 OH220117 -4.138 -2.883 -1.859 + 4603TIP3 H120118 -4.228 -2.846 -1.854 + 4603TIP3 H220119 -4.103 -2.841 -1.939 + 4604TIP3 OH220120 -4.214 -2.604 -0.738 + 4604TIP3 H120121 -4.150 -2.604 -0.664 + 4604TIP3 H220122 -4.215 -2.701 -0.752 + 4605TIP3 OH220123 -3.726 -2.691 -0.565 + 4605TIP3 H120124 -3.657 -2.755 -0.543 + 4605TIP3 H220125 -3.750 -2.718 -0.655 + 4606TIP3 OH220126 -3.322 -2.765 -2.415 + 4606TIP3 H120127 -3.398 -2.827 -2.423 + 4606TIP3 H220128 -3.251 -2.821 -2.451 + 4607TIP3 OH220129 -3.084 -2.863 -0.704 + 4607TIP3 H120130 -3.117 -2.947 -0.668 + 4607TIP3 H220131 -3.011 -2.842 -0.643 + 4608TIP3 OH220132 -2.861 -2.777 -2.405 + 4608TIP3 H120133 -2.843 -2.854 -2.347 + 4608TIP3 H220134 -2.778 -2.773 -2.457 + 4609TIP3 OH220135 -4.199 -3.200 -0.676 + 4609TIP3 H120136 -4.189 -3.289 -0.711 + 4609TIP3 H220137 -4.287 -3.174 -0.706 + 4610TIP3 OH220138 -3.781 -3.195 -2.429 + 4610TIP3 H120139 -3.761 -3.252 -2.353 + 4610TIP3 H220140 -3.695 -3.195 -2.475 + 4611TIP3 OH220141 -3.541 -3.217 -0.696 + 4611TIP3 H120142 -3.568 -3.182 -0.783 + 4611TIP3 H220143 -3.532 -3.313 -0.712 + 4612TIP3 OH220144 -3.259 -3.061 -2.468 + 4612TIP3 H120145 -3.259 -3.064 -2.371 + 4612TIP3 H220146 -3.261 -3.157 -2.489 + 4613TIP3 OH220147 -3.000 -3.253 -0.959 + 4613TIP3 H120148 -2.920 -3.201 -0.978 + 4613TIP3 H220149 -3.067 -3.182 -0.962 + 4614TIP3 OH220150 -4.136 -3.528 -0.701 + 4614TIP3 H120151 -4.057 -3.584 -0.714 + 4614TIP3 H220152 -4.123 -3.499 -0.610 + 4615TIP3 OH220153 -3.675 -3.383 -2.197 + 4615TIP3 H120154 -3.733 -3.435 -2.139 + 4615TIP3 H220155 -3.642 -3.452 -2.259 + 4616TIP3 OH220156 -3.761 -3.610 -0.982 + 4616TIP3 H120157 -3.803 -3.530 -0.947 + 4616TIP3 H220158 -3.688 -3.572 -1.033 + 4617TIP3 OH220159 -3.576 -3.583 -2.370 + 4617TIP3 H120160 -3.578 -3.574 -2.467 + 4617TIP3 H220161 -3.480 -3.588 -2.353 + 4618TIP3 OH220162 -3.220 -3.338 -0.616 + 4618TIP3 H120163 -3.129 -3.355 -0.646 + 4618TIP3 H220164 -3.242 -3.422 -0.573 + 4619TIP3 OH220165 -2.625 -3.332 -2.438 + 4619TIP3 H120166 -2.636 -3.373 -2.525 + 4619TIP3 H220167 -2.635 -3.237 -2.461 + 4620TIP3 OH220168 -3.694 -3.882 -0.859 + 4620TIP3 H120169 -3.681 -3.946 -0.932 + 4620TIP3 H220170 -3.712 -3.800 -0.909 + 4621TIP3 OH220171 -3.652 -4.038 -1.117 + 4621TIP3 H120172 -3.599 -3.982 -1.178 + 4621TIP3 H220173 -3.743 -4.026 -1.152 + 4622TIP3 OH220174 -3.507 -3.490 -1.071 + 4622TIP3 H120175 -3.421 -3.499 -1.114 + 4622TIP3 H220176 -3.533 -3.401 -1.101 + 4623TIP3 OH220177 -3.046 -3.693 -0.593 + 4623TIP3 H120178 -3.023 -3.786 -0.578 + 4623TIP3 H220179 -2.958 -3.652 -0.598 + 4624TIP3 OH220180 -2.948 -3.415 -0.745 + 4624TIP3 H120181 -2.981 -3.353 -0.813 + 4624TIP3 H220182 -2.857 -3.428 -0.779 + 4625TIP3 OH220183 -3.879 -3.690 -0.681 + 4625TIP3 H120184 -3.930 -3.773 -0.679 + 4625TIP3 H220185 -3.795 -3.720 -0.720 + 4626TIP3 OH220186 -3.607 -4.277 -0.994 + 4626TIP3 H120187 -3.591 -4.188 -1.030 + 4626TIP3 H220188 -3.699 -4.287 -1.019 + 4627TIP3 OH220189 -3.457 -3.844 -0.699 + 4627TIP3 H120190 -3.487 -3.871 -0.611 + 4627TIP3 H220191 -3.538 -3.864 -0.751 + 4628TIP3 OH220192 -3.198 -3.945 -0.801 + 4628TIP3 H120193 -3.287 -3.931 -0.764 + 4628TIP3 H220194 -3.160 -4.010 -0.739 + 4629TIP3 OH220195 -3.027 -4.137 -0.633 + 4629TIP3 H120196 -3.040 -4.224 -0.594 + 4629TIP3 H220197 -3.039 -4.077 -0.558 + 4630TIP3 OH220198 -4.011 -3.951 -0.693 + 4630TIP3 H120199 -4.024 -4.022 -0.758 + 4630TIP3 H220200 -4.037 -3.994 -0.610 + 4631TIP3 OH220201 -3.495 -4.146 -0.589 + 4631TIP3 H120202 -3.516 -4.229 -0.636 + 4631TIP3 H220203 -3.580 -4.100 -0.585 + 4632TIP3 OH220204 -3.599 -2.461 -2.261 + 4632TIP3 H120205 -3.504 -2.448 -2.247 + 4632TIP3 H220206 -3.611 -2.414 -2.344 + 4633TIP3 OH220207 -4.199 -2.970 -2.352 + 4633TIP3 H120208 -4.121 -2.975 -2.294 + 4633TIP3 H220209 -4.216 -3.063 -2.373 + 4634TIP3 OH220210 -4.272 -2.690 -1.640 + 4634TIP3 H120211 -4.276 -2.780 -1.603 + 4634TIP3 H220212 -4.243 -2.639 -1.564 + 4635TIP3 OH220213 -2.513 -2.540 -1.334 + 4635TIP3 H120214 -2.501 -2.586 -1.249 + 4635TIP3 H220215 -2.423 -2.545 -1.369 + 4636TIP3 OH220216 -2.528 -2.627 -1.041 + 4636TIP3 H120217 -2.576 -2.701 -1.084 + 4636TIP3 H220218 -2.467 -2.678 -0.985 + 4637TIP3 OH220219 -2.726 -3.084 -0.616 + 4637TIP3 H120220 -2.814 -3.075 -0.576 + 4637TIP3 H220221 -2.680 -3.003 -0.587 + 4638TIP3 OH220222 -2.585 -3.195 -2.044 + 4638TIP3 H120223 -2.495 -3.162 -2.026 + 4638TIP3 H220224 -2.594 -3.258 -1.970 + 4639TIP3 OH220225 -2.541 -3.400 -1.850 + 4639TIP3 H120226 -2.606 -3.454 -1.802 + 4639TIP3 H220227 -2.472 -3.384 -1.782 + 4640TIP3 OH220228 -2.695 -2.853 -1.115 + 4640TIP3 H120229 -2.778 -2.821 -1.075 + 4640TIP3 H220230 -2.725 -2.889 -1.201 + 4641TIP3 OH220231 -2.513 -3.455 -2.189 + 4641TIP3 H120232 -2.565 -3.423 -2.266 + 4641TIP3 H220233 -2.527 -3.382 -2.126 + 4642TIP3 OH220234 -2.690 -3.698 -2.363 + 4642TIP3 H120235 -2.660 -3.638 -2.432 + 4642TIP3 H220236 -2.712 -3.779 -2.412 + 4643TIP3 OH220237 -2.750 -3.584 -1.765 + 4643TIP3 H120238 -2.755 -3.679 -1.781 + 4643TIP3 H220239 -2.784 -3.575 -1.674 + 4644TIP3 OH220240 -2.687 -3.393 -0.849 + 4644TIP3 H120241 -2.612 -3.453 -0.834 + 4644TIP3 H220242 -2.643 -3.310 -0.872 + 4645TIP3 OH220243 -2.532 -3.584 -0.725 + 4645TIP3 H120244 -2.610 -3.637 -0.751 + 4645TIP3 H220245 -2.461 -3.650 -0.729 + 4646TIP3 OH220246 -2.745 -3.969 -2.446 + 4646TIP3 H120247 -2.685 -4.012 -2.383 + 4646TIP3 H220248 -2.827 -4.019 -2.434 + 4647TIP3 OH220249 -2.765 -3.828 -1.946 + 4647TIP3 H120250 -2.746 -3.924 -1.940 + 4647TIP3 H220251 -2.682 -3.797 -1.986 + 4648TIP3 OH220252 -2.737 -3.774 -1.406 + 4648TIP3 H120253 -2.640 -3.766 -1.409 + 4648TIP3 H220254 -2.751 -3.774 -1.310 + 4649TIP3 OH220255 -2.723 -3.705 -1.120 + 4649TIP3 H120256 -2.806 -3.662 -1.095 + 4649TIP3 H220257 -2.667 -3.629 -1.144 + 4650TIP3 OH220258 -4.285 -3.840 -0.760 + 4650TIP3 H120259 -4.196 -3.880 -0.758 + 4650TIP3 H220260 -4.344 -3.914 -0.739 + 4651TIP3 OH220261 -2.507 -4.277 -0.543 + 4651TIP3 H120262 -2.455 -4.355 -0.566 + 4651TIP3 H220263 -2.505 -4.218 -0.621 + 4652TIP3 OH220264 -2.733 -4.099 -1.937 + 4652TIP3 H120265 -2.708 -4.149 -1.857 + 4652TIP3 H220266 -2.795 -4.161 -1.980 + 4653TIP3 OH220267 -4.195 -3.991 -1.457 + 4653TIP3 H120268 -4.160 -4.082 -1.444 + 4653TIP3 H220269 -4.118 -3.937 -1.432 + 4654TIP3 OH220270 -4.312 -3.741 -1.352 + 4654TIP3 H120271 -4.292 -3.797 -1.428 + 4654TIP3 H220272 -4.316 -3.654 -1.392 + 4655TIP3 OH220273 -2.528 -4.112 -0.758 + 4655TIP3 H120274 -2.612 -4.064 -0.751 + 4655TIP3 H220275 -2.536 -4.146 -0.849 + 4656TIP3 OH220276 -2.521 -4.056 -2.280 + 4656TIP3 H120277 -2.502 -4.143 -2.321 + 4656TIP3 H220278 -2.434 -4.015 -2.273 + 4657TIP3 OH220279 -4.316 -4.107 -2.005 + 4657TIP3 H120280 -4.399 -4.070 -2.037 + 4657TIP3 H220281 -4.253 -4.038 -2.035 + 4658TIP3 OH220282 -2.828 -2.564 -1.751 + 4658TIP3 H120283 -2.784 -2.592 -1.833 + 4658TIP3 H220284 -2.753 -2.538 -1.697 + 4659TIP3 OH220285 -4.290 -4.163 -1.170 + 4659TIP3 H120286 -4.346 -4.221 -1.114 + 4659TIP3 H220287 -4.331 -4.171 -1.257 + 4660TIP3 OH220288 -4.118 -2.862 -0.703 + 4660TIP3 H120289 -4.169 -2.926 -0.754 + 4660TIP3 H220290 -4.132 -2.896 -0.612 + 4661TIP3 OH220291 -3.802 -2.797 -1.113 + 4661TIP3 H120292 -3.832 -2.712 -1.151 + 4661TIP3 H220293 -3.706 -2.789 -1.130 + 4662TIP3 OH220294 -3.353 -2.667 -0.812 + 4662TIP3 H120295 -3.335 -2.685 -0.719 + 4662TIP3 H220296 -3.270 -2.623 -0.839 + 4663TIP3 OH220297 -3.125 -2.522 -0.889 + 4663TIP3 H120298 -3.054 -2.583 -0.915 + 4663TIP3 H220299 -3.092 -2.491 -0.802 + 4664TIP3 OH220300 -2.666 -4.277 -0.968 + 4664TIP3 H120301 -2.716 -4.215 -1.024 + 4664TIP3 H220302 -2.641 -4.343 -1.035 + 4665TIP3 OH220303 -4.071 -2.493 -1.089 + 4665TIP3 H120304 -4.139 -2.441 -1.137 + 4665TIP3 H220305 -4.101 -2.484 -0.998 + 4666TIP3 OH220306 -3.819 -2.525 -1.225 + 4666TIP3 H120307 -3.905 -2.505 -1.183 + 4666TIP3 H220308 -3.814 -2.458 -1.295 + 4667TIP3 OH220309 -3.343 -2.526 -1.269 + 4667TIP3 H120310 -3.378 -2.480 -1.347 + 4667TIP3 H220311 -3.331 -2.451 -1.207 + 4668TIP3 OH220312 -3.108 -2.655 -1.175 + 4668TIP3 H120313 -3.191 -2.618 -1.211 + 4668TIP3 H220314 -3.048 -2.579 -1.181 + 4669TIP3 OH220315 -2.858 -2.482 -1.158 + 4669TIP3 H120316 -2.858 -2.388 -1.184 + 4669TIP3 H220317 -2.826 -2.524 -1.239 + 4670TIP3 OH220318 -4.128 -2.621 -1.392 + 4670TIP3 H120319 -4.133 -2.662 -1.304 + 4670TIP3 H220320 -4.048 -2.663 -1.428 + 4671TIP3 OH220321 -3.910 -2.743 -1.538 + 4671TIP3 H120322 -3.923 -2.837 -1.513 + 4671TIP3 H220323 -3.819 -2.727 -1.508 + 4672TIP3 OH220324 -3.633 -2.701 -1.453 + 4672TIP3 H120325 -3.611 -2.793 -1.477 + 4672TIP3 H220326 -3.622 -2.705 -1.357 + 4673TIP3 OH220327 -3.301 -4.112 -1.526 + 4673TIP3 H120328 -3.363 -4.182 -1.497 + 4673TIP3 H220329 -3.239 -4.161 -1.582 + 4674TIP3 OH220330 -2.772 -4.332 -1.480 + 4674TIP3 H120331 -2.712 -4.289 -1.544 + 4674TIP3 H220332 -2.859 -4.303 -1.512 + 4675TIP3 OH220333 -2.579 -4.224 -1.699 + 4675TIP3 H120334 -2.519 -4.245 -1.771 + 4675TIP3 H220335 -2.557 -4.130 -1.683 + 4676TIP3 OH220336 -4.073 -4.282 -1.793 + 4676TIP3 H120337 -4.160 -4.317 -1.816 + 4676TIP3 H220338 -4.026 -4.359 -1.760 + 4677TIP3 OH220339 -4.208 -4.301 -2.186 + 4677TIP3 H120340 -4.169 -4.235 -2.246 + 4677TIP3 H220341 -4.259 -4.244 -2.126 + 4678TIP3 OH220342 -3.615 -4.219 -1.761 + 4678TIP3 H120343 -3.523 -4.233 -1.788 + 4678TIP3 H220344 -3.634 -4.298 -1.708 + 4679TIP3 OH220345 -3.062 -4.264 -1.631 + 4679TIP3 H120346 -3.025 -4.261 -1.720 + 4679TIP3 H220347 -3.072 -4.359 -1.613 + 4680TIP3 OH220348 -2.950 -4.272 -2.031 + 4680TIP3 H120349 -3.025 -4.213 -2.054 + 4680TIP3 H220350 -2.989 -4.360 -2.037 + 4681TIP3 OH220351 -4.189 -2.692 -2.083 + 4681TIP3 H120352 -4.249 -2.710 -2.156 + 4681TIP3 H220353 -4.182 -2.596 -2.086 + 4682TIP3 OH220354 -4.009 -4.113 -2.326 + 4682TIP3 H120355 -3.944 -4.157 -2.383 + 4682TIP3 H220356 -3.950 -4.070 -2.261 + 4683TIP3 OH220357 -3.493 -4.059 -2.095 + 4683TIP3 H120358 -3.482 -4.143 -2.046 + 4683TIP3 H220359 -3.470 -3.991 -2.029 + 4684TIP3 OH220360 -3.297 -2.515 -2.250 + 4684TIP3 H120361 -3.200 -2.511 -2.256 + 4684TIP3 H220362 -3.315 -2.581 -2.319 + 4685TIP3 OH220363 -2.647 -2.610 -1.994 + 4685TIP3 H120364 -2.669 -2.693 -2.039 + 4685TIP3 H220365 -2.650 -2.546 -2.067 + 4686TIP3 OH220366 -4.106 -4.171 -0.847 + 4686TIP3 H120367 -4.160 -4.238 -0.800 + 4686TIP3 H220368 -4.026 -4.224 -0.861 + 4687TIP3 OH220369 -3.808 -4.278 -0.587 + 4687TIP3 H120370 -3.722 -4.304 -0.627 + 4687TIP3 H220371 -3.828 -4.355 -0.533 + 4688TIP3 OH220372 -4.013 -2.593 -2.386 + 4688TIP3 H120373 -4.040 -2.574 -2.295 + 4688TIP3 H220374 -3.940 -2.657 -2.373 + 4689TIP3 OH220375 -2.697 -2.734 -0.753 + 4689TIP3 H120376 -2.768 -2.753 -0.817 + 4689TIP3 H220377 -2.712 -2.640 -0.737 + 4690TIP3 OH220378 -1.272 -3.367 -1.745 + 4690TIP3 H120379 -1.276 -3.272 -1.727 + 4690TIP3 H220380 -1.353 -3.380 -1.797 + 4691TIP3 OH220381 -1.388 -3.423 -1.436 + 4691TIP3 H120382 -1.390 -3.475 -1.354 + 4691TIP3 H220383 -1.419 -3.488 -1.501 + 4692TIP3 OH220384 -2.143 -3.464 -1.270 + 4692TIP3 H120385 -2.146 -3.537 -1.206 + 4692TIP3 H220386 -2.074 -3.408 -1.232 + 4693TIP3 OH220387 -1.019 -3.146 -1.602 + 4693TIP3 H120388 -1.057 -3.217 -1.549 + 4693TIP3 H220389 -0.993 -3.084 -1.531 + 4694TIP3 OH220390 -2.060 -2.991 -1.420 + 4694TIP3 H120391 -2.106 -3.075 -1.440 + 4694TIP3 H220392 -1.972 -3.023 -1.398 + 4695TIP3 OH220393 -2.376 -3.665 -1.881 + 4695TIP3 H120394 -2.409 -3.575 -1.864 + 4695TIP3 H220395 -2.453 -3.707 -1.921 + 4696TIP3 OH220396 -2.300 -3.418 -1.701 + 4696TIP3 H120397 -2.285 -3.489 -1.636 + 4696TIP3 H220398 -2.211 -3.402 -1.735 + 4697TIP3 OH220399 -1.308 -2.606 -1.544 + 4697TIP3 H120400 -1.257 -2.684 -1.573 + 4697TIP3 H220401 -1.346 -2.638 -1.461 + 4698TIP3 OH220402 -1.539 -3.172 -1.380 + 4698TIP3 H120403 -1.506 -3.245 -1.434 + 4698TIP3 H220404 -1.460 -3.156 -1.325 + 4699TIP3 OH220405 -0.685 -4.017 -1.322 + 4699TIP3 H120406 -0.653 -3.974 -1.241 + 4699TIP3 H220407 -0.619 -3.985 -1.386 + 4700TIP3 OH220408 -1.211 -3.740 -1.326 + 4700TIP3 H120409 -1.192 -3.836 -1.325 + 4700TIP3 H220410 -1.221 -3.724 -1.421 + 4701TIP3 OH220411 -1.916 -3.941 -1.617 + 4701TIP3 H120412 -1.899 -3.856 -1.661 + 4701TIP3 H220413 -1.949 -3.994 -1.692 + 4702TIP3 OH220414 -1.126 -3.922 -1.784 + 4702TIP3 H120415 -1.066 -3.965 -1.720 + 4702TIP3 H220416 -1.062 -3.877 -1.841 + 4703TIP3 OH220417 -2.245 -3.666 -1.567 + 4703TIP3 H120418 -2.183 -3.713 -1.510 + 4703TIP3 H220419 -2.234 -3.713 -1.652 + 4704TIP3 OH220420 -1.706 -3.525 -1.625 + 4704TIP3 H120421 -1.636 -3.580 -1.583 + 4704TIP3 H220422 -1.757 -3.592 -1.672 + 4705TIP3 OH220423 -0.592 -3.849 -1.059 + 4705TIP3 H120424 -0.668 -3.796 -1.089 + 4705TIP3 H220425 -0.627 -3.886 -0.976 + 4706TIP3 OH220426 -2.036 -4.057 -1.202 + 4706TIP3 H120427 -2.068 -4.000 -1.273 + 4706TIP3 H220428 -2.102 -4.036 -1.133 + 4707TIP3 OH220429 -1.277 -3.075 -1.868 + 4707TIP3 H120430 -1.323 -3.108 -1.946 + 4707TIP3 H220431 -1.328 -2.996 -1.845 + 4708TIP3 OH220432 -1.743 -3.270 -1.193 + 4708TIP3 H120433 -1.815 -3.210 -1.164 + 4708TIP3 H220434 -1.679 -3.207 -1.232 + 4709TIP3 OH220435 -0.936 -4.014 -1.581 + 4709TIP3 H120436 -0.987 -4.060 -1.513 + 4709TIP3 H220437 -0.886 -3.950 -1.528 + 4710TIP3 OH220438 -2.073 -3.858 -1.406 + 4710TIP3 H120439 -2.012 -3.795 -1.362 + 4710TIP3 H220440 -2.016 -3.890 -1.479 + 4711TIP3 OH220441 -1.943 -3.082 -1.117 + 4711TIP3 H120442 -1.944 -2.989 -1.149 + 4711TIP3 H220443 -2.030 -3.085 -1.074 + 4712TIP3 OH220444 -2.308 -3.113 -2.032 + 4712TIP3 H120445 -2.331 -3.059 -2.109 + 4712TIP3 H220446 -2.291 -3.046 -1.962 + 4713TIP3 OH220447 -0.967 -2.964 -1.366 + 4713TIP3 H120448 -1.062 -2.949 -1.352 + 4713TIP3 H220449 -0.938 -2.874 -1.388 + 4714TIP3 OH220450 -0.922 -4.112 -1.181 + 4714TIP3 H120451 -1.003 -4.078 -1.223 + 4714TIP3 H220452 -0.856 -4.096 -1.251 + 4715TIP3 OH220453 -1.612 4.381 -1.477 + 4715TIP3 H120454 -1.616 4.285 -1.469 + 4715TIP3 H220455 -1.700 4.412 -1.447 + 4716TIP3 OH220456 -1.137 -2.782 -1.685 + 4716TIP3 H120457 -1.090 -2.859 -1.723 + 4716TIP3 H220458 -1.084 -2.708 -1.716 + 4717TIP3 OH220459 -0.987 -2.989 -1.838 + 4717TIP3 H120460 -1.048 -3.035 -1.898 + 4717TIP3 H220461 -0.992 -3.048 -1.760 + 4718TIP3 OH220462 -0.847 -3.105 -0.986 + 4718TIP3 H120463 -0.845 -3.166 -1.061 + 4718TIP3 H220464 -0.822 -3.020 -1.025 + 4719TIP3 OH220465 -1.410 -3.415 -2.015 + 4719TIP3 H120466 -1.477 -3.355 -2.051 + 4719TIP3 H220467 -1.340 -3.410 -2.082 + 4720TIP3 OH220468 -1.381 -3.594 -2.312 + 4720TIP3 H120469 -1.312 -3.565 -2.249 + 4720TIP3 H220470 -1.330 -3.654 -2.368 + 4721TIP3 OH220471 -0.661 -3.490 -1.193 + 4721TIP3 H120472 -0.733 -3.425 -1.182 + 4721TIP3 H220473 -0.613 -3.452 -1.269 + 4722TIP3 OH220474 -1.057 -3.414 -1.908 + 4722TIP3 H120475 -1.127 -3.392 -1.842 + 4722TIP3 H220476 -0.999 -3.471 -1.855 + 4723TIP3 OH220477 -1.075 -3.563 -1.025 + 4723TIP3 H120478 -1.068 -3.484 -0.969 + 4723TIP3 H220479 -1.138 -3.529 -1.090 + 4724TIP3 OH220480 -1.897 -3.337 -1.732 + 4724TIP3 H120481 -1.929 -3.382 -1.812 + 4724TIP3 H220482 -1.833 -3.402 -1.697 + 4725TIP3 OH220483 -1.757 -2.994 -1.459 + 4725TIP3 H120484 -1.773 -3.039 -1.542 + 4725TIP3 H220485 -1.680 -3.042 -1.423 + 4726TIP3 OH220486 -1.838 -3.461 -1.380 + 4726TIP3 H120487 -1.783 -3.452 -1.459 + 4726TIP3 H220488 -1.804 -3.390 -1.322 + 4727TIP3 OH220489 -1.245 -2.897 -1.318 + 4727TIP3 H120490 -1.237 -2.836 -1.243 + 4727TIP3 H220491 -1.269 -2.981 -1.276 + 4728TIP3 OH220492 -1.752 -3.023 -0.897 + 4728TIP3 H120493 -1.798 -2.957 -0.843 + 4728TIP3 H220494 -1.819 -3.043 -0.966 + 4729TIP3 OH220495 -1.161 -3.472 -2.162 + 4729TIP3 H120496 -1.116 -3.443 -2.080 + 4729TIP3 H220497 -1.112 -3.419 -2.229 + 4730TIP3 OH220498 -2.062 -3.387 -0.985 + 4730TIP3 H120499 -2.056 -3.327 -0.908 + 4730TIP3 H220500 -2.159 -3.396 -0.994 + 4731TIP3 OH220501 -1.409 -2.808 -1.811 + 4731TIP3 H120502 -1.369 -2.781 -1.728 + 4731TIP3 H220503 -1.465 -2.732 -1.834 + 4732TIP3 OH220504 -1.939 -2.792 -0.806 + 4732TIP3 H120505 -1.951 -2.796 -0.902 + 4732TIP3 H220506 -2.023 -2.826 -0.770 + 4733TIP3 OH220507 -0.843 -4.322 -2.241 + 4733TIP3 H120508 -0.889 -4.324 -2.155 + 4733TIP3 H220509 -0.765 -4.269 -2.217 + 4734TIP3 OH220510 -2.005 -3.464 -1.978 + 4734TIP3 H120511 -2.027 -3.387 -2.032 + 4734TIP3 H220512 -2.074 -3.527 -2.002 + 4735TIP3 OH220513 -0.680 -2.880 -2.359 + 4735TIP3 H120514 -0.666 -2.786 -2.335 + 4735TIP3 H220515 -0.594 -2.920 -2.336 + 4736TIP3 OH220516 -2.413 -3.194 -1.108 + 4736TIP3 H120517 -2.434 -3.185 -1.203 + 4736TIP3 H220518 -2.395 -3.289 -1.100 + 4737TIP3 OH220519 -0.631 -2.843 -0.860 + 4737TIP3 H120520 -0.569 -2.908 -0.825 + 4737TIP3 H220521 -0.676 -2.813 -0.781 + 4738TIP3 OH220522 -1.495 -2.884 -0.940 + 4738TIP3 H120523 -1.484 -2.813 -0.874 + 4738TIP3 H220524 -1.579 -2.924 -0.912 + 4739TIP3 OH220525 -1.467 -2.535 -1.959 + 4739TIP3 H120526 -1.468 -2.527 -2.056 + 4739TIP3 H220527 -1.455 -2.443 -1.930 + 4740TIP3 OH220528 -2.081 -2.625 -1.794 + 4740TIP3 H120529 -2.067 -2.670 -1.708 + 4740TIP3 H220530 -2.166 -2.662 -1.820 + 4741TIP3 OH220531 -1.132 -2.591 -2.242 + 4741TIP3 H120532 -1.077 -2.662 -2.282 + 4741TIP3 H220533 -1.132 -2.616 -2.148 + 4742TIP3 OH220534 -1.185 -2.616 -1.944 + 4742TIP3 H120535 -1.282 -2.611 -1.946 + 4742TIP3 H220536 -1.172 -2.707 -1.916 + 4743TIP3 OH220537 -0.877 -3.710 -0.794 + 4743TIP3 H120538 -0.929 -3.668 -0.864 + 4743TIP3 H220539 -0.871 -3.802 -0.826 + 4744TIP3 OH220540 -2.188 -3.040 -0.975 + 4744TIP3 H120541 -2.156 -3.092 -0.899 + 4744TIP3 H220542 -2.257 -3.095 -1.015 + 4745TIP3 OH220543 -1.860 -4.220 -1.387 + 4745TIP3 H120544 -1.943 -4.242 -1.433 + 4745TIP3 H220545 -1.884 -4.136 -1.346 + 4746TIP3 OH220546 -1.405 -4.264 -1.031 + 4746TIP3 H120547 -1.386 -4.307 -0.948 + 4746TIP3 H220548 -1.500 -4.277 -1.041 + 4747TIP3 OH220549 -1.107 -3.863 -0.989 + 4747TIP3 H120550 -1.166 -3.874 -0.912 + 4747TIP3 H220551 -1.113 -3.768 -1.007 + 4748TIP3 OH220552 -1.008 -3.361 -2.362 + 4748TIP3 H120553 -1.028 -3.379 -2.455 + 4748TIP3 H220554 -0.913 -3.337 -2.368 + 4749TIP3 OH220555 -1.443 -3.993 -2.316 + 4749TIP3 H120556 -1.497 -4.004 -2.235 + 4749TIP3 H220557 -1.492 -4.054 -2.376 + 4750TIP3 OH220558 -1.877 -3.716 -1.262 + 4750TIP3 H120559 -1.935 -3.702 -1.186 + 4750TIP3 H220560 -1.867 -3.625 -1.298 + 4751TIP3 OH220561 -1.882 -3.709 -1.773 + 4751TIP3 H120562 -1.978 -3.717 -1.789 + 4751TIP3 H220563 -1.847 -3.727 -1.862 + 4752TIP3 OH220564 -1.320 -3.652 -1.897 + 4752TIP3 H120565 -1.361 -3.569 -1.929 + 4752TIP3 H220566 -1.254 -3.668 -1.966 + 4753TIP3 OH220567 -1.401 -3.634 -0.767 + 4753TIP3 H120568 -1.452 -3.705 -0.725 + 4753TIP3 H220569 -1.315 -3.642 -0.721 + 4754TIP3 OH220570 -1.235 -3.711 -1.618 + 4754TIP3 H120571 -1.265 -3.654 -1.691 + 4754TIP3 H220572 -1.215 -3.792 -1.669 + 4755TIP3 OH220573 -2.140 -3.697 -1.081 + 4755TIP3 H120574 -2.112 -3.666 -0.994 + 4755TIP3 H220575 -2.179 -3.784 -1.059 + 4756TIP3 OH220576 -1.804 -3.942 -2.421 + 4756TIP3 H120577 -1.838 -3.977 -2.337 + 4756TIP3 H220578 -1.884 -3.929 -2.473 + 4757TIP3 OH220579 -2.462 -3.961 -1.715 + 4757TIP3 H120580 -2.404 -3.954 -1.636 + 4757TIP3 H220581 -2.402 -3.992 -1.783 + 4758TIP3 OH220582 -2.301 -3.912 -2.144 + 4758TIP3 H120583 -2.245 -3.861 -2.206 + 4758TIP3 H220584 -2.371 -3.846 -2.124 + 4759TIP3 OH220585 -1.328 -3.543 -1.175 + 4759TIP3 H120586 -1.282 -3.616 -1.222 + 4759TIP3 H220587 -1.357 -3.587 -1.094 + 4760TIP3 OH220588 -1.605 -3.944 -1.675 + 4760TIP3 H120589 -1.699 -3.958 -1.654 + 4760TIP3 H220590 -1.562 -3.971 -1.593 + 4761TIP3 OH220591 -2.149 -3.828 -1.803 + 4761TIP3 H120592 -2.229 -3.797 -1.850 + 4761TIP3 H220593 -2.122 -3.908 -1.852 + 4762TIP3 OH220594 -1.786 -3.792 -2.035 + 4762TIP3 H120595 -1.689 -3.784 -2.030 + 4762TIP3 H220596 -1.811 -3.732 -2.107 + 4763TIP3 OH220597 -1.170 -4.033 -1.371 + 4763TIP3 H120598 -1.232 -4.034 -1.295 + 4763TIP3 H220599 -1.230 -4.064 -1.442 + 4764TIP3 OH220600 -1.939 -3.672 -2.259 + 4764TIP3 H120601 -1.997 -3.696 -2.333 + 4764TIP3 H220602 -1.857 -3.649 -2.307 + 4765TIP3 OH220603 -2.075 -3.197 -0.762 + 4765TIP3 H120604 -2.006 -3.189 -0.692 + 4765TIP3 H220605 -2.154 -3.193 -0.705 + 4766TIP3 OH220606 -1.503 -3.694 -1.489 + 4766TIP3 H120607 -1.431 -3.738 -1.535 + 4766TIP3 H220608 -1.520 -3.755 -1.415 + 4767TIP3 OH220609 -1.991 -4.066 -1.869 + 4767TIP3 H120610 -2.034 -4.152 -1.854 + 4767TIP3 H220611 -1.904 -4.094 -1.902 + 4768TIP3 OH220612 -1.607 -3.849 -1.263 + 4768TIP3 H120613 -1.682 -3.788 -1.263 + 4768TIP3 H220614 -1.557 -3.821 -1.183 + 4769TIP3 OH220615 -1.592 -3.210 -2.075 + 4769TIP3 H120616 -1.668 -3.260 -2.110 + 4769TIP3 H220617 -1.613 -3.204 -1.979 + 4770TIP3 OH220618 -0.868 -3.297 -1.204 + 4770TIP3 H120619 -0.820 -3.240 -1.268 + 4770TIP3 H220620 -0.955 -3.305 -1.247 + 4771TIP3 OH220621 -1.176 -3.928 -2.315 + 4771TIP3 H120622 -1.273 -3.938 -2.310 + 4771TIP3 H220623 -1.157 -3.863 -2.245 + 4772TIP3 OH220624 -1.434 -3.200 -0.944 + 4772TIP3 H120625 -1.456 -3.235 -0.856 + 4772TIP3 H220626 -1.460 -3.108 -0.936 + 4773TIP3 OH220627 -1.110 -3.750 -2.100 + 4773TIP3 H120628 -1.024 -3.763 -2.055 + 4773TIP3 H220629 -1.100 -3.660 -2.136 + 4774TIP3 OH220630 -2.077 -3.272 -1.491 + 4774TIP3 H120631 -2.021 -3.281 -1.570 + 4774TIP3 H220632 -2.072 -3.360 -1.451 + 4775TIP3 OH220633 -1.354 -3.072 -2.186 + 4775TIP3 H120634 -1.378 -2.987 -2.143 + 4775TIP3 H220635 -1.427 -3.129 -2.155 + 4776TIP3 OH220636 -2.353 -3.443 -0.965 + 4776TIP3 H120637 -2.336 -3.489 -0.881 + 4776TIP3 H220638 -2.411 -3.505 -1.012 + 4777TIP3 OH220639 -1.656 -3.495 -0.767 + 4777TIP3 H120640 -1.689 -3.516 -0.856 + 4777TIP3 H220641 -1.561 -3.517 -0.777 + 4778TIP3 OH220642 -1.201 -2.946 -0.990 + 4778TIP3 H120643 -1.295 -2.924 -0.989 + 4778TIP3 H220644 -1.174 -2.922 -0.899 + 4779TIP3 OH220645 -0.648 -3.747 -2.119 + 4779TIP3 H120646 -0.705 -3.766 -2.196 + 4779TIP3 H220647 -0.637 -3.651 -2.132 + 4780TIP3 OH220648 -0.609 -3.158 -0.836 + 4780TIP3 H120649 -0.694 -3.111 -0.850 + 4780TIP3 H220650 -0.567 -3.143 -0.923 + 4781TIP3 OH220651 -0.827 -2.879 -2.105 + 4781TIP3 H120652 -0.855 -2.957 -2.054 + 4781TIP3 H220653 -0.778 -2.919 -2.178 + 4782TIP3 OH220654 -1.103 -3.349 -1.373 + 4782TIP3 H120655 -1.197 -3.365 -1.394 + 4782TIP3 H220656 -1.060 -3.422 -1.420 + 4783TIP3 OH220657 -1.839 -2.944 -1.776 + 4783TIP3 H120658 -1.801 -2.855 -1.778 + 4783TIP3 H220659 -1.933 -2.926 -1.783 + 4784TIP3 OH220660 -2.242 -3.462 -2.307 + 4784TIP3 H120661 -2.184 -3.395 -2.266 + 4784TIP3 H220662 -2.329 -3.436 -2.271 + 4785TIP3 OH220663 -1.657 -3.171 -1.807 + 4785TIP3 H120664 -1.691 -3.082 -1.792 + 4785TIP3 H220665 -1.725 -3.224 -1.763 + 4786TIP3 OH220666 -1.638 -2.751 -1.169 + 4786TIP3 H120667 -1.582 -2.677 -1.196 + 4786TIP3 H220668 -1.580 -2.796 -1.105 + 4787TIP3 OH220669 -1.796 -2.651 -1.848 + 4787TIP3 H120670 -1.892 -2.641 -1.835 + 4787TIP3 H220671 -1.763 -2.564 -1.821 + 4788TIP3 OH220672 -1.302 -3.172 -1.215 + 4788TIP3 H120673 -1.329 -3.193 -1.124 + 4788TIP3 H220674 -1.225 -3.230 -1.226 + 4789TIP3 OH220675 -1.082 -3.039 -2.319 + 4789TIP3 H120676 -1.042 -3.089 -2.245 + 4789TIP3 H220677 -1.175 -3.053 -2.298 + 4790TIP3 OH220678 -0.979 -2.710 -0.961 + 4790TIP3 H120679 -1.066 -2.742 -0.988 + 4790TIP3 H220680 -0.976 -2.619 -0.993 + 4791TIP3 OH220681 -0.614 -2.612 -2.269 + 4791TIP3 H120682 -0.546 -2.547 -2.293 + 4791TIP3 H220683 -0.690 -2.553 -2.260 + 4792TIP3 OH220684 -2.220 -3.961 -1.007 + 4792TIP3 H120685 -2.310 -3.942 -1.039 + 4792TIP3 H220686 -2.236 -4.048 -0.964 + 4793TIP3 OH220687 -0.986 -3.180 -2.085 + 4793TIP3 H120688 -1.016 -3.251 -2.024 + 4793TIP3 H220689 -0.890 -3.182 -2.071 + 4794TIP3 OH220690 -2.243 -2.789 -1.159 + 4794TIP3 H120691 -2.236 -2.884 -1.173 + 4794TIP3 H220692 -2.207 -2.780 -1.071 + 4795TIP3 OH220693 -1.658 -2.937 -2.463 + 4795TIP3 H120694 -1.631 -3.017 -2.512 + 4795TIP3 H220695 -1.702 -2.976 -2.385 + 4796TIP3 OH220696 -1.772 -2.984 -2.195 + 4796TIP3 H120697 -1.728 -3.037 -2.128 + 4796TIP3 H220698 -1.761 -2.893 -2.159 + 4797TIP3 OH220699 -2.091 -3.241 -2.154 + 4797TIP3 H120700 -2.164 -3.204 -2.100 + 4797TIP3 H220701 -2.045 -3.159 -2.178 + 4798TIP3 OH220702 -1.327 -4.009 -1.143 + 4798TIP3 H120703 -1.268 -3.980 -1.073 + 4798TIP3 H220704 -1.365 -4.092 -1.107 + 4799TIP3 OH220705 -1.248 -4.058 -2.026 + 4799TIP3 H120706 -1.245 -3.996 -2.101 + 4799TIP3 H220707 -1.214 -4.002 -1.954 + 4800TIP3 OH220708 -1.474 -2.817 -2.129 + 4800TIP3 H120709 -1.559 -2.774 -2.109 + 4800TIP3 H220710 -1.449 -2.776 -2.213 + 4801TIP3 OH220711 -1.516 -3.852 -1.926 + 4801TIP3 H120712 -1.443 -3.788 -1.911 + 4801TIP3 H220713 -1.547 -3.868 -1.834 + 4802TIP3 OH220714 -1.485 -3.763 -1.014 + 4802TIP3 H120715 -1.477 -3.709 -0.933 + 4802TIP3 H220716 -1.425 -3.836 -0.994 + 4803TIP3 OH220717 -1.445 -4.173 -1.825 + 4803TIP3 H120718 -1.479 -4.097 -1.774 + 4803TIP3 H220719 -1.391 -4.129 -1.893 + 4804TIP3 OH220720 -1.758 -2.715 -2.129 + 4804TIP3 H120721 -1.766 -2.633 -2.182 + 4804TIP3 H220722 -1.774 -2.683 -2.039 + 4805TIP3 OH220723 -1.891 -4.050 -2.177 + 4805TIP3 H120724 -1.888 -3.969 -2.124 + 4805TIP3 H220725 -1.804 -4.088 -2.155 + 4806TIP3 OH220726 -0.846 -3.964 -0.932 + 4806TIP3 H120727 -0.942 -3.953 -0.942 + 4806TIP3 H220728 -0.825 -3.986 -1.024 + 4807TIP3 OH220729 -1.003 -3.575 -1.525 + 4807TIP3 H120730 -1.086 -3.619 -1.549 + 4807TIP3 H220731 -0.955 -3.645 -1.476 + 4808TIP3 OH220732 -2.047 -2.959 -2.278 + 4808TIP3 H120733 -1.974 -2.910 -2.236 + 4808TIP3 H220734 -1.997 -3.011 -2.342 + 4809TIP3 OH220735 -2.232 -3.744 -2.366 + 4809TIP3 H120736 -2.220 -3.650 -2.342 + 4809TIP3 H220737 -2.321 -3.743 -2.405 + 4810TIP3 OH220738 -0.911 -2.667 -1.382 + 4810TIP3 H120739 -0.900 -2.587 -1.436 + 4810TIP3 H220740 -0.824 -2.673 -1.340 + 4811TIP3 OH220741 -2.222 -4.244 -1.468 + 4811TIP3 H120742 -2.180 -4.241 -1.555 + 4811TIP3 H220743 -2.197 -4.334 -1.441 + 4812TIP3 OH220744 -2.252 -2.896 -1.867 + 4812TIP3 H120745 -2.323 -2.847 -1.822 + 4812TIP3 H220746 -2.218 -2.831 -1.930 + 4813TIP3 OH220747 -2.309 -2.597 -0.741 + 4813TIP3 H120748 -2.246 -2.635 -0.679 + 4813TIP3 H220749 -2.349 -2.679 -0.776 + 4814TIP3 OH220750 -1.437 -2.767 -2.412 + 4814TIP3 H120751 -1.514 -2.828 -2.423 + 4814TIP3 H220752 -1.367 -2.823 -2.450 + 4815TIP3 OH220753 -1.173 -2.875 -0.706 + 4815TIP3 H120754 -1.227 -2.944 -0.665 + 4815TIP3 H220755 -1.112 -2.853 -0.634 + 4816TIP3 OH220756 -0.974 -2.774 -2.401 + 4816TIP3 H120757 -0.963 -2.858 -2.352 + 4816TIP3 H220758 -0.895 -2.772 -2.457 + 4817TIP3 OH220759 -2.318 -3.236 -0.630 + 4817TIP3 H120760 -2.306 -3.325 -0.668 + 4817TIP3 H220761 -2.393 -3.204 -0.685 + 4818TIP3 OH220762 -1.894 -3.193 -2.430 + 4818TIP3 H120763 -1.879 -3.251 -2.354 + 4818TIP3 H220764 -1.807 -3.198 -2.474 + 4819TIP3 OH220765 -1.653 -3.214 -0.695 + 4819TIP3 H120766 -1.681 -3.178 -0.780 + 4819TIP3 H220767 -1.646 -3.310 -0.712 + 4820TIP3 OH220768 -1.368 -3.060 -2.468 + 4820TIP3 H120769 -1.376 -3.064 -2.371 + 4820TIP3 H220770 -1.375 -3.155 -2.490 + 4821TIP3 OH220771 -1.117 -3.251 -0.960 + 4821TIP3 H120772 -1.036 -3.197 -0.974 + 4821TIP3 H220773 -1.184 -3.181 -0.956 + 4822TIP3 OH220774 -2.231 -3.526 -0.714 + 4822TIP3 H120775 -2.154 -3.585 -0.712 + 4822TIP3 H220776 -2.234 -3.498 -0.621 + 4823TIP3 OH220777 -1.786 -3.384 -2.196 + 4823TIP3 H120778 -1.847 -3.434 -2.139 + 4823TIP3 H220779 -1.756 -3.454 -2.258 + 4824TIP3 OH220780 -1.865 -3.609 -0.971 + 4824TIP3 H120781 -1.918 -3.530 -0.951 + 4824TIP3 H220782 -1.799 -3.573 -1.033 + 4825TIP3 OH220783 -1.691 -3.583 -2.369 + 4825TIP3 H120784 -1.695 -3.576 -2.467 + 4825TIP3 H220785 -1.595 -3.587 -2.354 + 4826TIP3 OH220786 -1.337 -3.340 -0.619 + 4826TIP3 H120787 -1.244 -3.352 -0.642 + 4826TIP3 H220788 -1.357 -3.421 -0.570 + 4827TIP3 OH220789 -0.738 -3.331 -2.438 + 4827TIP3 H120790 -0.749 -3.375 -2.523 + 4827TIP3 H220791 -0.751 -3.237 -2.463 + 4828TIP3 OH220792 -1.806 -3.880 -0.860 + 4828TIP3 H120793 -1.796 -3.943 -0.932 + 4828TIP3 H220794 -1.825 -3.797 -0.908 + 4829TIP3 OH220795 -1.766 -4.038 -1.118 + 4829TIP3 H120796 -1.714 -3.981 -1.178 + 4829TIP3 H220797 -1.857 -4.025 -1.152 + 4830TIP3 OH220798 -1.617 -3.488 -1.071 + 4830TIP3 H120799 -1.533 -3.495 -1.119 + 4830TIP3 H220800 -1.648 -3.400 -1.101 + 4831TIP3 OH220801 -1.161 -3.694 -0.594 + 4831TIP3 H120802 -1.136 -3.786 -0.577 + 4831TIP3 H220803 -1.074 -3.651 -0.597 + 4832TIP3 OH220804 -1.059 -3.417 -0.749 + 4832TIP3 H120805 -1.095 -3.353 -0.813 + 4832TIP3 H220806 -0.968 -3.426 -0.783 + 4833TIP3 OH220807 -1.985 -3.697 -0.674 + 4833TIP3 H120808 -2.035 -3.780 -0.677 + 4833TIP3 H220809 -1.903 -3.722 -0.721 + 4834TIP3 OH220810 -1.720 -4.278 -0.995 + 4834TIP3 H120811 -1.706 -4.187 -1.031 + 4834TIP3 H220812 -1.814 -4.288 -1.018 + 4835TIP3 OH220813 -1.571 -3.846 -0.700 + 4835TIP3 H120814 -1.603 -3.870 -0.611 + 4835TIP3 H220815 -1.652 -3.863 -0.752 + 4836TIP3 OH220816 -1.314 -3.947 -0.803 + 4836TIP3 H120817 -1.402 -3.929 -0.765 + 4836TIP3 H220818 -1.276 -4.009 -0.739 + 4837TIP3 OH220819 -1.140 -4.138 -0.633 + 4837TIP3 H120820 -1.155 -4.224 -0.592 + 4837TIP3 H220821 -1.153 -4.076 -0.559 + 4838TIP3 OH220822 -2.103 -3.960 -0.689 + 4838TIP3 H120823 -2.131 -4.019 -0.761 + 4838TIP3 H220824 -2.151 -3.997 -0.613 + 4839TIP3 OH220825 -1.609 -4.149 -0.586 + 4839TIP3 H120826 -1.634 -4.228 -0.637 + 4839TIP3 H220827 -1.692 -4.097 -0.584 + 4840TIP3 OH220828 -1.714 -2.457 -2.259 + 4840TIP3 H120829 -1.618 -2.449 -2.250 + 4840TIP3 H220830 -1.729 -2.416 -2.344 + 4841TIP3 OH220831 -2.324 -3.018 -2.310 + 4841TIP3 H120832 -2.229 -3.001 -2.292 + 4841TIP3 H220833 -2.320 -3.099 -2.364 + 4842TIP3 OH220834 -2.421 -2.502 -1.834 + 4842TIP3 H120835 -2.495 -2.539 -1.886 + 4842TIP3 H220836 -2.411 -2.570 -1.764 + 4843TIP3 OH220837 -2.377 -2.701 -1.634 + 4843TIP3 H120838 -2.418 -2.785 -1.605 + 4843TIP3 H220839 -2.347 -2.670 -1.547 + 4844TIP3 OH220840 -0.629 -2.572 -1.332 + 4844TIP3 H120841 -0.624 -2.577 -1.234 + 4844TIP3 H220842 -0.537 -2.553 -1.355 + 4845TIP3 OH220843 -0.632 -2.612 -1.051 + 4845TIP3 H120844 -0.701 -2.679 -1.067 + 4845TIP3 H220845 -0.596 -2.649 -0.968 + 4846TIP3 OH220846 -0.823 -3.065 -0.598 + 4846TIP3 H120847 -0.917 -3.058 -0.572 + 4846TIP3 H220848 -0.786 -2.985 -0.557 + 4847TIP3 OH220849 -0.698 -3.195 -2.044 + 4847TIP3 H120850 -0.610 -3.164 -2.021 + 4847TIP3 H220851 -0.713 -3.259 -1.972 + 4848TIP3 OH220852 -0.654 -3.399 -1.847 + 4848TIP3 H120853 -0.724 -3.454 -1.805 + 4848TIP3 H220854 -0.588 -3.387 -1.776 + 4849TIP3 OH220855 -0.684 -3.150 -1.349 + 4849TIP3 H120856 -0.617 -3.195 -1.401 + 4849TIP3 H220857 -0.672 -3.057 -1.374 + 4850TIP3 OH220858 -0.810 -2.849 -1.136 + 4850TIP3 H120859 -0.869 -2.813 -1.066 + 4850TIP3 H220860 -0.871 -2.895 -1.195 + 4851TIP3 OH220861 -0.626 -3.451 -2.190 + 4851TIP3 H120862 -0.680 -3.426 -2.267 + 4851TIP3 H220863 -0.645 -3.379 -2.129 + 4852TIP3 OH220864 -0.802 -3.697 -2.363 + 4852TIP3 H120865 -0.774 -3.640 -2.436 + 4852TIP3 H220866 -0.827 -3.779 -2.409 + 4853TIP3 OH220867 -0.859 -3.583 -1.765 + 4853TIP3 H120868 -0.868 -3.678 -1.782 + 4853TIP3 H220869 -0.899 -3.575 -1.675 + 4854TIP3 OH220870 -2.390 -3.367 -1.385 + 4854TIP3 H120871 -2.382 -3.328 -1.474 + 4854TIP3 H220872 -2.297 -3.369 -1.357 + 4855TIP3 OH220873 -0.797 -3.390 -0.851 + 4855TIP3 H120874 -0.724 -3.451 -0.830 + 4855TIP3 H220875 -0.751 -3.306 -0.867 + 4856TIP3 OH220876 -0.645 -3.583 -0.729 + 4856TIP3 H120877 -0.724 -3.636 -0.751 + 4856TIP3 H220878 -0.575 -3.651 -0.730 + 4857TIP3 OH220879 -0.860 -3.967 -2.445 + 4857TIP3 H120880 -0.801 -4.013 -2.382 + 4857TIP3 H220881 -0.942 -4.018 -2.437 + 4858TIP3 OH220882 -0.878 -3.827 -1.946 + 4858TIP3 H120883 -0.861 -3.924 -1.939 + 4858TIP3 H220884 -0.795 -3.798 -1.987 + 4859TIP3 OH220885 -0.852 -3.774 -1.406 + 4859TIP3 H120886 -0.754 -3.767 -1.407 + 4859TIP3 H220887 -0.867 -3.775 -1.310 + 4860TIP3 OH220888 -0.838 -3.706 -1.122 + 4860TIP3 H120889 -0.921 -3.664 -1.094 + 4860TIP3 H220890 -0.782 -3.629 -1.142 + 4861TIP3 OH220891 -2.392 -3.836 -0.743 + 4861TIP3 H120892 -2.299 -3.857 -0.760 + 4861TIP3 H220893 -2.433 -3.924 -0.744 + 4862TIP3 OH220894 -0.620 -4.277 -0.543 + 4862TIP3 H120895 -0.572 -4.357 -0.568 + 4862TIP3 H220896 -0.620 -4.219 -0.622 + 4863TIP3 OH220897 -0.848 -4.099 -1.937 + 4863TIP3 H120898 -0.826 -4.149 -1.858 + 4863TIP3 H220899 -0.910 -4.159 -1.981 + 4864TIP3 OH220900 -2.316 -3.990 -1.476 + 4864TIP3 H120901 -2.284 -4.083 -1.463 + 4864TIP3 H220902 -2.242 -3.939 -1.437 + 4865TIP3 OH220903 -2.454 -3.730 -1.372 + 4865TIP3 H120904 -2.394 -3.729 -1.449 + 4865TIP3 H220905 -2.421 -3.654 -1.322 + 4866TIP3 OH220906 -0.642 -4.113 -0.758 + 4866TIP3 H120907 -0.726 -4.065 -0.749 + 4866TIP3 H220908 -0.652 -4.145 -0.850 + 4867TIP3 OH220909 -0.634 -4.056 -2.277 + 4867TIP3 H120910 -0.618 -4.142 -2.322 + 4867TIP3 H220911 -0.547 -4.015 -2.276 + 4868TIP3 OH220912 -2.401 -4.106 -1.970 + 4868TIP3 H120913 -2.496 -4.092 -1.984 + 4868TIP3 H220914 -2.361 -4.035 -2.023 + 4869TIP3 OH220915 -0.907 -2.529 -1.778 + 4869TIP3 H120916 -0.870 -2.600 -1.834 + 4869TIP3 H220917 -0.868 -2.550 -1.691 + 4870TIP3 OH220918 -2.422 -4.128 -1.113 + 4870TIP3 H120919 -2.425 -4.222 -1.087 + 4870TIP3 H220920 -2.444 -4.133 -1.207 + 4871TIP3 OH220921 -2.201 -2.893 -0.679 + 4871TIP3 H120922 -2.270 -2.900 -0.747 + 4871TIP3 H220923 -2.250 -2.907 -0.597 + 4872TIP3 OH220924 -1.916 -2.797 -1.106 + 4872TIP3 H120925 -1.949 -2.713 -1.141 + 4872TIP3 H220926 -1.821 -2.788 -1.126 + 4873TIP3 OH220927 -1.257 -2.526 -0.868 + 4873TIP3 H120928 -1.191 -2.595 -0.879 + 4873TIP3 H220929 -1.240 -2.495 -0.778 + 4874TIP3 OH220930 -0.779 -4.278 -0.969 + 4874TIP3 H120931 -0.828 -4.213 -1.022 + 4874TIP3 H220932 -0.764 -4.346 -1.036 + 4875TIP3 OH220933 -2.171 -2.490 -1.069 + 4875TIP3 H120934 -2.231 -2.435 -1.122 + 4875TIP3 H220935 -2.226 -2.510 -0.993 + 4876TIP3 OH220936 -1.919 -2.523 -1.218 + 4876TIP3 H120937 -2.005 -2.506 -1.173 + 4876TIP3 H220938 -1.919 -2.454 -1.287 + 4877TIP3 OH220939 -1.455 -2.529 -1.268 + 4877TIP3 H120940 -1.495 -2.476 -1.339 + 4877TIP3 H220941 -1.445 -2.462 -1.197 + 4878TIP3 OH220942 -1.203 -2.637 -1.170 + 4878TIP3 H120943 -1.295 -2.619 -1.195 + 4878TIP3 H220944 -1.166 -2.548 -1.166 + 4879TIP3 OH220945 -0.940 -2.446 -1.149 + 4879TIP3 H120946 -0.984 -2.369 -1.183 + 4879TIP3 H220947 -0.936 -2.508 -1.223 + 4880TIP3 OH220948 -2.221 -2.621 -1.383 + 4880TIP3 H120949 -2.233 -2.676 -1.302 + 4880TIP3 H220950 -2.151 -2.671 -1.427 + 4881TIP3 OH220951 -2.019 -2.749 -1.548 + 4881TIP3 H120952 -2.041 -2.839 -1.513 + 4881TIP3 H220953 -1.931 -2.735 -1.508 + 4882TIP3 OH220954 -1.740 -2.700 -1.454 + 4882TIP3 H120955 -1.727 -2.795 -1.474 + 4882TIP3 H220956 -1.737 -2.702 -1.357 + 4883TIP3 OH220957 -1.414 -4.112 -1.525 + 4883TIP3 H120958 -1.477 -4.182 -1.497 + 4883TIP3 H220959 -1.355 -4.161 -1.583 + 4884TIP3 OH220960 -0.886 -4.331 -1.479 + 4884TIP3 H120961 -0.827 -4.289 -1.544 + 4884TIP3 H220962 -0.973 -4.306 -1.511 + 4885TIP3 OH220963 -0.690 -4.226 -1.697 + 4885TIP3 H120964 -0.635 -4.244 -1.774 + 4885TIP3 H220965 -0.674 -4.131 -1.683 + 4886TIP3 OH220966 -2.178 -4.284 -1.796 + 4886TIP3 H120967 -2.270 -4.307 -1.813 + 4886TIP3 H220968 -2.143 -4.364 -1.757 + 4887TIP3 OH220969 -2.322 -4.291 -2.170 + 4887TIP3 H120970 -2.274 -4.243 -2.240 + 4887TIP3 H220971 -2.355 -4.217 -2.115 + 4888TIP3 OH220972 -1.731 -4.228 -1.767 + 4888TIP3 H120973 -1.636 -4.234 -1.787 + 4888TIP3 H220974 -1.742 -4.293 -1.697 + 4889TIP3 OH220975 -1.172 -4.265 -1.630 + 4889TIP3 H120976 -1.141 -4.263 -1.721 + 4889TIP3 H220977 -1.188 -4.359 -1.613 + 4890TIP3 OH220978 -1.063 -4.272 -2.035 + 4890TIP3 H120979 -1.139 -4.213 -2.053 + 4890TIP3 H220980 -1.104 -4.360 -2.035 + 4891TIP3 OH220981 -2.273 -2.695 -2.068 + 4891TIP3 H120982 -2.341 -2.707 -2.135 + 4891TIP3 H220983 -2.279 -2.599 -2.053 + 4892TIP3 OH220984 -2.128 -4.125 -2.326 + 4892TIP3 H120985 -2.057 -4.162 -2.382 + 4892TIP3 H220986 -2.076 -4.074 -2.262 + 4893TIP3 OH220987 -1.605 -4.060 -2.097 + 4893TIP3 H120988 -1.597 -4.144 -2.048 + 4893TIP3 H220989 -1.587 -3.992 -2.029 + 4894TIP3 OH220990 -1.411 -2.512 -2.254 + 4894TIP3 H120991 -1.314 -2.509 -2.255 + 4894TIP3 H220992 -1.428 -2.580 -2.320 + 4895TIP3 OH220993 -0.741 -2.619 -1.988 + 4895TIP3 H120994 -0.766 -2.703 -2.032 + 4895TIP3 H220995 -0.754 -2.555 -2.060 + 4896TIP3 OH220996 -2.217 -4.179 -0.846 + 4896TIP3 H120997 -2.260 -4.260 -0.814 + 4896TIP3 H220998 -2.128 -4.214 -0.859 + 4897TIP3 OH220999 -1.924 -4.279 -0.582 + 4897TIP3 H121000 -1.836 -4.304 -0.619 + 4897TIP3 H221001 -1.947 -4.358 -0.532 + 4898TIP3 OH221002 -2.132 -2.599 -2.384 + 4898TIP3 H121003 -2.159 -2.575 -2.295 + 4898TIP3 H221004 -2.057 -2.659 -2.368 + 4899TIP3 OH221005 0.607 -3.346 -1.800 + 4899TIP3 H121006 0.602 -3.254 -1.771 + 4899TIP3 H221007 0.525 -3.358 -1.849 + 4900TIP3 OH221008 -0.253 -3.461 -1.270 + 4900TIP3 H121009 -0.259 -3.536 -1.209 + 4900TIP3 H221010 -0.186 -3.408 -1.224 + 4901TIP3 OH221011 0.865 -3.152 -1.603 + 4901TIP3 H121012 0.812 -3.224 -1.564 + 4901TIP3 H221013 0.885 -3.097 -1.526 + 4902TIP3 OH221014 -0.185 -3.000 -1.431 + 4902TIP3 H121015 -0.213 -3.093 -1.439 + 4902TIP3 H221016 -0.101 -3.011 -1.384 + 4903TIP3 OH221017 -0.491 -3.658 -1.881 + 4903TIP3 H121018 -0.535 -3.572 -1.871 + 4903TIP3 H221019 -0.563 -3.712 -1.916 + 4904TIP3 OH221020 -0.400 -3.411 -1.701 + 4904TIP3 H121021 -0.403 -3.489 -1.643 + 4904TIP3 H221022 -0.317 -3.427 -1.747 + 4905TIP3 OH221023 0.569 -2.614 -1.548 + 4905TIP3 H121024 0.629 -2.686 -1.576 + 4905TIP3 H221025 0.543 -2.644 -1.460 + 4906TIP3 OH221026 0.348 -3.185 -1.387 + 4906TIP3 H121027 0.389 -3.257 -1.438 + 4906TIP3 H221028 0.425 -3.164 -1.332 + 4907TIP3 OH221029 1.204 -4.022 -1.319 + 4907TIP3 H121030 1.232 -3.970 -1.242 + 4907TIP3 H221031 1.263 -3.986 -1.387 + 4908TIP3 OH221032 0.676 -3.757 -1.330 + 4908TIP3 H121033 0.691 -3.849 -1.359 + 4908TIP3 H221034 0.659 -3.708 -1.411 + 4909TIP3 OH221035 -0.031 -3.942 -1.617 + 4909TIP3 H121036 -0.013 -3.856 -1.659 + 4909TIP3 H221037 -0.065 -3.992 -1.693 + 4910TIP3 OH221038 0.751 -3.925 -1.787 + 4910TIP3 H121039 0.806 -3.948 -1.711 + 4910TIP3 H221040 0.798 -3.850 -1.824 + 4911TIP3 OH221041 -0.359 -3.660 -1.571 + 4911TIP3 H121042 -0.299 -3.707 -1.510 + 4911TIP3 H221043 -0.350 -3.714 -1.651 + 4912TIP3 OH221044 0.176 -3.518 -1.623 + 4912TIP3 H121045 0.258 -3.564 -1.594 + 4912TIP3 H221046 0.131 -3.592 -1.669 + 4913TIP3 OH221047 1.294 -3.850 -1.057 + 4913TIP3 H121048 1.220 -3.796 -1.090 + 4913TIP3 H221049 1.256 -3.888 -0.977 + 4914TIP3 OH221050 -0.151 -4.057 -1.203 + 4914TIP3 H121051 -0.183 -3.999 -1.273 + 4914TIP3 H221052 -0.216 -4.037 -1.133 + 4915TIP3 OH221053 0.606 -3.060 -1.871 + 4915TIP3 H121054 0.565 -3.093 -1.951 + 4915TIP3 H221055 0.554 -2.980 -1.850 + 4916TIP3 OH221056 0.140 -3.268 -1.190 + 4916TIP3 H121057 0.067 -3.207 -1.166 + 4916TIP3 H221058 0.206 -3.209 -1.230 + 4917TIP3 OH221059 0.953 -4.022 -1.578 + 4917TIP3 H121060 0.893 -4.055 -1.509 + 4917TIP3 H221061 0.997 -3.948 -1.531 + 4918TIP3 OH221062 -0.189 -3.855 -1.408 + 4918TIP3 H121063 -0.126 -3.795 -1.361 + 4918TIP3 H221064 -0.131 -3.889 -1.479 + 4919TIP3 OH221065 -0.068 -3.081 -1.125 + 4919TIP3 H121066 -0.064 -2.984 -1.139 + 4919TIP3 H221067 -0.146 -3.085 -1.066 + 4920TIP3 OH221068 -0.415 -3.109 -2.028 + 4920TIP3 H121069 -0.446 -3.070 -2.112 + 4920TIP3 H221070 -0.414 -3.031 -1.968 + 4921TIP3 OH221071 0.920 -2.969 -1.355 + 4921TIP3 H121072 0.823 -2.957 -1.348 + 4921TIP3 H221073 0.946 -2.882 -1.390 + 4922TIP3 OH221074 0.964 -4.114 -1.182 + 4922TIP3 H121075 0.884 -4.077 -1.222 + 4922TIP3 H221076 1.031 -4.094 -1.251 + 4923TIP3 OH221077 0.270 4.379 -1.485 + 4923TIP3 H121078 0.266 4.285 -1.466 + 4923TIP3 H221079 0.187 4.414 -1.446 + 4924TIP3 OH221080 0.749 -2.774 -1.700 + 4924TIP3 H121081 0.799 -2.854 -1.725 + 4924TIP3 H221082 0.818 -2.705 -1.707 + 4925TIP3 OH221083 0.902 -2.990 -1.834 + 4925TIP3 H121084 0.841 -3.032 -1.897 + 4925TIP3 H221085 0.896 -3.052 -1.759 + 4926TIP3 OH221086 1.055 -3.112 -0.995 + 4926TIP3 H121087 1.037 -3.173 -1.069 + 4926TIP3 H221088 1.062 -3.027 -1.041 + 4927TIP3 OH221089 0.460 -3.424 -2.027 + 4927TIP3 H121090 0.405 -3.357 -2.071 + 4927TIP3 H221091 0.540 -3.426 -2.083 + 4928TIP3 OH221092 0.503 -3.595 -2.318 + 4928TIP3 H121093 0.566 -3.568 -2.249 + 4928TIP3 H221094 0.560 -3.652 -2.371 + 4929TIP3 OH221095 1.222 -3.483 -1.192 + 4929TIP3 H121096 1.145 -3.424 -1.188 + 4929TIP3 H221097 1.269 -3.448 -1.270 + 4930TIP3 OH221098 0.840 -3.421 -1.914 + 4930TIP3 H121099 0.766 -3.394 -1.854 + 4930TIP3 H221100 0.894 -3.476 -1.854 + 4931TIP3 OH221101 0.825 -3.562 -1.020 + 4931TIP3 H121102 0.821 -3.476 -0.975 + 4931TIP3 H221103 0.744 -3.551 -1.076 + 4932TIP3 OH221104 -0.024 -3.326 -1.750 + 4932TIP3 H121105 -0.046 -3.392 -1.819 + 4932TIP3 H221106 0.039 -3.380 -1.697 + 4933TIP3 OH221107 0.133 -2.999 -1.461 + 4933TIP3 H121108 0.126 -3.054 -1.539 + 4933TIP3 H221109 0.208 -3.041 -1.415 + 4934TIP3 OH221110 0.041 -3.445 -1.388 + 4934TIP3 H121111 0.109 -3.455 -1.458 + 4934TIP3 H221112 0.087 -3.390 -1.322 + 4935TIP3 OH221113 0.639 -2.903 -1.324 + 4935TIP3 H121114 0.643 -2.837 -1.252 + 4935TIP3 H221115 0.621 -2.986 -1.276 + 4936TIP3 OH221116 0.132 -3.030 -0.899 + 4936TIP3 H121117 0.078 -2.966 -0.848 + 4936TIP3 H221118 0.068 -3.056 -0.967 + 4937TIP3 OH221119 0.720 -3.469 -2.160 + 4937TIP3 H121120 0.770 -3.445 -2.079 + 4937TIP3 H221121 0.771 -3.418 -2.228 + 4938TIP3 OH221122 -0.178 -3.385 -0.986 + 4938TIP3 H121123 -0.171 -3.326 -0.909 + 4938TIP3 H221124 -0.275 -3.397 -0.992 + 4939TIP3 OH221125 0.461 -2.808 -1.804 + 4939TIP3 H121126 0.514 -2.781 -1.728 + 4939TIP3 H221127 0.418 -2.725 -1.830 + 4940TIP3 OH221128 -0.072 -2.842 -0.819 + 4940TIP3 H121129 -0.080 -2.812 -0.910 + 4940TIP3 H221130 -0.154 -2.806 -0.780 + 4941TIP3 OH221131 1.044 -4.327 -2.235 + 4941TIP3 H121132 0.997 -4.320 -2.150 + 4941TIP3 H221133 1.118 -4.266 -2.219 + 4942TIP3 OH221134 -0.133 -3.457 -1.972 + 4942TIP3 H121135 -0.142 -3.394 -2.046 + 4942TIP3 H221136 -0.184 -3.532 -2.002 + 4943TIP3 OH221137 1.205 -2.881 -2.360 + 4943TIP3 H121138 1.221 -2.788 -2.337 + 4943TIP3 H221139 1.291 -2.922 -2.339 + 4944TIP3 OH221140 -0.505 -3.193 -1.110 + 4944TIP3 H121141 -0.559 -3.198 -1.191 + 4944TIP3 H221142 -0.499 -3.286 -1.082 + 4945TIP3 OH221143 -0.508 -2.900 -1.418 + 4945TIP3 H121144 -0.417 -2.928 -1.399 + 4945TIP3 H221145 -0.525 -2.842 -1.342 + 4946TIP3 OH221146 1.329 -2.841 -0.831 + 4946TIP3 H121147 1.317 -2.935 -0.852 + 4946TIP3 H221148 1.237 -2.817 -0.804 + 4947TIP3 OH221149 0.394 -2.920 -0.955 + 4947TIP3 H121150 0.402 -2.837 -0.903 + 4947TIP3 H221151 0.304 -2.949 -0.931 + 4948TIP3 OH221152 0.422 -2.539 -1.959 + 4948TIP3 H121153 0.426 -2.524 -2.055 + 4948TIP3 H221154 0.424 -2.448 -1.923 + 4949TIP3 OH221155 -0.199 -2.632 -1.797 + 4949TIP3 H121156 -0.178 -2.667 -1.708 + 4949TIP3 H221157 -0.289 -2.666 -1.809 + 4950TIP3 OH221158 0.751 -2.597 -2.240 + 4950TIP3 H121159 0.810 -2.661 -2.283 + 4950TIP3 H221160 0.747 -2.633 -2.148 + 4951TIP3 OH221161 0.691 -2.655 -1.961 + 4951TIP3 H121162 0.596 -2.639 -1.941 + 4951TIP3 H221163 0.710 -2.723 -1.894 + 4952TIP3 OH221164 1.009 -3.707 -0.795 + 4952TIP3 H121165 0.955 -3.666 -0.864 + 4952TIP3 H221166 1.013 -3.799 -0.826 + 4953TIP3 OH221167 -0.299 -3.030 -0.969 + 4953TIP3 H121168 -0.270 -3.075 -0.887 + 4953TIP3 H221169 -0.371 -3.085 -1.002 + 4954TIP3 OH221170 0.026 -4.219 -1.390 + 4954TIP3 H121171 -0.058 -4.243 -1.430 + 4954TIP3 H221172 0.003 -4.136 -1.346 + 4955TIP3 OH221173 0.482 -4.267 -1.033 + 4955TIP3 H121174 0.499 -4.306 -0.946 + 4955TIP3 H221175 0.386 -4.275 -1.039 + 4956TIP3 OH221176 0.781 -3.864 -0.986 + 4956TIP3 H121177 0.719 -3.873 -0.912 + 4956TIP3 H221178 0.772 -3.771 -1.012 + 4957TIP3 OH221179 0.877 -3.362 -2.362 + 4957TIP3 H121180 0.858 -3.380 -2.456 + 4957TIP3 H221181 0.971 -3.337 -2.366 + 4958TIP3 OH221182 0.441 -3.994 -2.315 + 4958TIP3 H121183 0.386 -4.002 -2.236 + 4958TIP3 H221184 0.393 -4.056 -2.375 + 4959TIP3 OH221185 0.004 -3.715 -1.264 + 4959TIP3 H121186 -0.047 -3.703 -1.183 + 4959TIP3 H221187 0.016 -3.624 -1.296 + 4960TIP3 OH221188 0.001 -3.705 -1.774 + 4960TIP3 H121189 -0.093 -3.723 -1.792 + 4960TIP3 H221190 0.040 -3.728 -1.861 + 4961TIP3 OH221191 0.569 -3.666 -1.875 + 4961TIP3 H121192 0.535 -3.576 -1.886 + 4961TIP3 H221193 0.640 -3.669 -1.941 + 4962TIP3 OH221194 0.482 -3.632 -0.760 + 4962TIP3 H121195 0.433 -3.708 -0.722 + 4962TIP3 H221196 0.571 -3.643 -0.720 + 4963TIP3 OH221197 -0.255 -3.698 -1.082 + 4963TIP3 H121198 -0.227 -3.666 -0.995 + 4963TIP3 H221199 -0.293 -3.785 -1.059 + 4964TIP3 OH221200 0.080 -3.937 -2.420 + 4964TIP3 H121201 0.047 -3.979 -2.338 + 4964TIP3 H221202 0.002 -3.931 -2.475 + 4965TIP3 OH221203 -0.571 -3.951 -1.718 + 4965TIP3 H121204 -0.517 -3.954 -1.637 + 4965TIP3 H221205 -0.518 -3.997 -1.783 + 4966TIP3 OH221206 -0.414 -3.911 -2.143 + 4966TIP3 H121207 -0.360 -3.861 -2.207 + 4966TIP3 H221208 -0.486 -3.847 -2.125 + 4967TIP3 OH221209 0.570 -3.557 -1.121 + 4967TIP3 H121210 0.582 -3.561 -1.218 + 4967TIP3 H221211 0.515 -3.634 -1.102 + 4968TIP3 OH221212 0.274 -3.965 -1.684 + 4968TIP3 H121213 0.183 -3.958 -1.651 + 4968TIP3 H221214 0.325 -3.953 -1.602 + 4969TIP3 OH221215 -0.260 -3.825 -1.807 + 4969TIP3 H121216 -0.344 -3.801 -1.850 + 4969TIP3 H221217 -0.235 -3.909 -1.850 + 4970TIP3 OH221218 0.101 -3.787 -2.032 + 4970TIP3 H121219 0.199 -3.786 -2.027 + 4970TIP3 H221220 0.082 -3.732 -2.109 + 4971TIP3 OH221221 0.716 -4.043 -1.374 + 4971TIP3 H121222 0.656 -4.036 -1.296 + 4971TIP3 H221223 0.652 -4.070 -1.441 + 4972TIP3 OH221224 -0.055 -3.665 -2.258 + 4972TIP3 H121225 -0.111 -3.697 -2.330 + 4972TIP3 H221226 0.028 -3.647 -2.306 + 4973TIP3 OH221227 1.012 -2.458 -0.706 + 4973TIP3 H121228 1.036 -2.413 -0.789 + 4973TIP3 H221229 1.081 -2.421 -0.647 + 4974TIP3 OH221230 -0.188 -3.196 -0.760 + 4974TIP3 H121231 -0.121 -3.186 -0.689 + 4974TIP3 H221232 -0.269 -3.201 -0.705 + 4975TIP3 OH221233 0.377 -3.730 -1.518 + 4975TIP3 H121234 0.468 -3.731 -1.546 + 4975TIP3 H221235 0.383 -3.757 -1.425 + 4976TIP3 OH221236 -0.105 -4.066 -1.865 + 4976TIP3 H121237 -0.149 -4.152 -1.855 + 4976TIP3 H221238 -0.020 -4.092 -1.905 + 4977TIP3 OH221239 0.275 -3.853 -1.258 + 4977TIP3 H121240 0.206 -3.786 -1.266 + 4977TIP3 H221241 0.329 -3.821 -1.183 + 4978TIP3 OH221242 0.293 -3.205 -2.079 + 4978TIP3 H121243 0.219 -3.261 -2.111 + 4978TIP3 H221244 0.278 -3.205 -1.982 + 4979TIP3 OH221245 0.992 -3.301 -1.221 + 4979TIP3 H121246 1.046 -3.246 -1.282 + 4979TIP3 H221247 0.907 -3.303 -1.267 + 4980TIP3 OH221248 0.710 -3.930 -2.312 + 4980TIP3 H121249 0.612 -3.939 -2.307 + 4980TIP3 H221250 0.729 -3.864 -2.243 + 4981TIP3 OH221251 0.452 -3.208 -0.946 + 4981TIP3 H121252 0.429 -3.240 -0.857 + 4981TIP3 H221253 0.427 -3.115 -0.942 + 4982TIP3 OH221254 0.772 -3.750 -2.099 + 4982TIP3 H121255 0.857 -3.763 -2.051 + 4982TIP3 H221256 0.780 -3.658 -2.131 + 4983TIP3 OH221257 -0.196 -3.275 -1.498 + 4983TIP3 H121258 -0.121 -3.293 -1.556 + 4983TIP3 H221259 -0.193 -3.352 -1.439 + 4984TIP3 OH221260 0.532 -3.073 -2.189 + 4984TIP3 H121261 0.510 -2.988 -2.146 + 4984TIP3 H221262 0.459 -3.129 -2.157 + 4985TIP3 OH221263 -0.465 -3.445 -0.968 + 4985TIP3 H121264 -0.450 -3.486 -0.881 + 4985TIP3 H221265 -0.529 -3.505 -1.010 + 4986TIP3 OH221266 0.231 -3.494 -0.769 + 4986TIP3 H121267 0.199 -3.516 -0.858 + 4986TIP3 H221268 0.324 -3.520 -0.776 + 4987TIP3 OH221269 0.689 -2.936 -0.994 + 4987TIP3 H121270 0.592 -2.941 -1.004 + 4987TIP3 H221271 0.699 -2.921 -0.899 + 4988TIP3 OH221272 1.239 -3.747 -2.120 + 4988TIP3 H121273 1.179 -3.764 -2.195 + 4988TIP3 H221274 1.249 -3.651 -2.130 + 4989TIP3 OH221275 1.282 -3.141 -0.839 + 4989TIP3 H121276 1.188 -3.120 -0.859 + 4989TIP3 H221277 1.316 -3.158 -0.929 + 4990TIP3 OH221278 1.053 -2.884 -2.112 + 4990TIP3 H121279 1.033 -2.958 -2.053 + 4990TIP3 H221280 1.112 -2.922 -2.177 + 4991TIP3 OH221281 0.003 -2.949 -1.789 + 4991TIP3 H121282 0.084 -2.896 -1.781 + 4991TIP3 H221283 -0.061 -2.877 -1.778 + 4992TIP3 OH221284 -0.359 -3.465 -2.307 + 4992TIP3 H121285 -0.300 -3.397 -2.271 + 4992TIP3 H221286 -0.446 -3.439 -2.272 + 4993TIP3 OH221287 0.227 -3.173 -1.817 + 4993TIP3 H121288 0.211 -3.083 -1.787 + 4993TIP3 H221289 0.178 -3.227 -1.754 + 4994TIP3 OH221290 0.246 -2.748 -1.172 + 4994TIP3 H121291 0.301 -2.671 -1.196 + 4994TIP3 H221292 0.306 -2.796 -1.113 + 4995TIP3 OH221293 0.089 -2.652 -1.848 + 4995TIP3 H121294 -0.006 -2.633 -1.837 + 4995TIP3 H221295 0.128 -2.566 -1.821 + 4996TIP3 OH221296 0.604 -3.161 -1.199 + 4996TIP3 H121297 0.559 -3.199 -1.121 + 4996TIP3 H221298 0.632 -3.242 -1.246 + 4997TIP3 OH221299 0.800 -3.042 -2.321 + 4997TIP3 H121300 0.845 -3.086 -2.247 + 4997TIP3 H221301 0.708 -3.056 -2.294 + 4998TIP3 OH221302 0.883 -2.715 -0.971 + 4998TIP3 H121303 0.806 -2.761 -1.010 + 4998TIP3 H221304 0.890 -2.635 -1.028 + 4999TIP3 OH221305 1.280 -2.613 -2.272 + 4999TIP3 H121306 1.350 -2.547 -2.287 + 4999TIP3 H221307 1.203 -2.553 -2.270 + 5000TIP3 OH221308 -0.334 -3.962 -1.008 + 5000TIP3 H121309 -0.425 -3.943 -1.038 + 5000TIP3 H221310 -0.350 -4.048 -0.963 + 5001TIP3 OH221311 0.899 -3.180 -2.085 + 5001TIP3 H121312 0.873 -3.253 -2.025 + 5001TIP3 H221313 0.996 -3.180 -2.073 + 5002TIP3 OH221314 -0.351 -2.804 -1.165 + 5002TIP3 H121315 -0.326 -2.894 -1.138 + 5002TIP3 H221316 -0.355 -2.762 -1.078 + 5003TIP3 OH221317 0.224 -2.937 -2.464 + 5003TIP3 H121318 0.257 -3.014 -2.513 + 5003TIP3 H221319 0.187 -2.978 -2.385 + 5004TIP3 OH221320 0.106 -2.989 -2.180 + 5004TIP3 H121321 0.173 -3.039 -2.129 + 5004TIP3 H221322 0.127 -2.896 -2.156 + 5005TIP3 OH221323 -0.190 -3.229 -2.129 + 5005TIP3 H121324 -0.280 -3.197 -2.111 + 5005TIP3 H221325 -0.155 -3.159 -2.187 + 5006TIP3 OH221326 0.555 -4.008 -1.141 + 5006TIP3 H121327 0.619 -3.978 -1.075 + 5006TIP3 H221328 0.523 -4.093 -1.105 + 5007TIP3 OH221329 0.644 -4.050 -2.014 + 5007TIP3 H121330 0.649 -3.988 -2.088 + 5007TIP3 H221331 0.677 -3.995 -1.940 + 5008TIP3 OH221332 0.401 -2.826 -2.130 + 5008TIP3 H121333 0.325 -2.769 -2.108 + 5008TIP3 H221334 0.444 -2.774 -2.199 + 5009TIP3 OH221335 0.370 -3.848 -1.926 + 5009TIP3 H121336 0.447 -3.789 -1.908 + 5009TIP3 H221337 0.341 -3.868 -1.835 + 5010TIP3 OH221338 0.399 -3.762 -1.012 + 5010TIP3 H121339 0.411 -3.707 -0.932 + 5010TIP3 H221340 0.459 -3.836 -0.994 + 5011TIP3 OH221341 0.437 -4.170 -1.825 + 5011TIP3 H121342 0.407 -4.094 -1.772 + 5011TIP3 H221343 0.499 -4.128 -1.887 + 5012TIP3 OH221344 0.123 -2.715 -2.129 + 5012TIP3 H121345 0.119 -2.633 -2.183 + 5012TIP3 H221346 0.112 -2.680 -2.039 + 5013TIP3 OH221347 -0.004 -4.052 -2.176 + 5013TIP3 H121348 -0.004 -3.970 -2.124 + 5013TIP3 H221349 0.086 -4.084 -2.155 + 5014TIP3 OH221350 1.040 -3.965 -0.932 + 5014TIP3 H121351 0.944 -3.951 -0.941 + 5014TIP3 H221352 1.060 -3.985 -1.025 + 5015TIP3 OH221353 0.885 -3.587 -1.547 + 5015TIP3 H121354 0.794 -3.566 -1.522 + 5015TIP3 H221355 0.917 -3.645 -1.475 + 5016TIP3 OH221356 -0.163 -2.966 -2.274 + 5016TIP3 H121357 -0.093 -2.911 -2.235 + 5016TIP3 H221358 -0.112 -3.008 -2.344 + 5017TIP3 OH221359 -0.347 -3.745 -2.364 + 5017TIP3 H121360 -0.336 -3.651 -2.341 + 5017TIP3 H221361 -0.434 -3.745 -2.406 + 5018TIP3 OH221362 0.984 -2.690 -1.386 + 5018TIP3 H121363 0.967 -2.606 -1.433 + 5018TIP3 H221364 1.076 -2.675 -1.358 + 5019TIP3 OH221365 -0.338 -4.243 -1.469 + 5019TIP3 H121366 -0.293 -4.243 -1.555 + 5019TIP3 H221367 -0.313 -4.332 -1.439 + 5020TIP3 OH221368 -0.355 -2.897 -1.863 + 5020TIP3 H121369 -0.428 -2.852 -1.817 + 5020TIP3 H221370 -0.330 -2.829 -1.928 + 5021TIP3 OH221371 0.068 -2.683 -0.563 + 5021TIP3 H121372 0.111 -2.768 -0.549 + 5021TIP3 H221373 0.002 -2.704 -0.631 + 5022TIP3 OH221374 0.449 -2.765 -2.416 + 5022TIP3 H121375 0.375 -2.829 -2.423 + 5022TIP3 H221376 0.522 -2.819 -2.450 + 5023TIP3 OH221377 0.690 -2.863 -0.704 + 5023TIP3 H121378 0.650 -2.945 -0.669 + 5023TIP3 H221379 0.759 -2.844 -0.639 + 5024TIP3 OH221380 0.911 -2.776 -2.404 + 5024TIP3 H121381 0.928 -2.855 -2.349 + 5024TIP3 H221382 0.991 -2.771 -2.458 + 5025TIP3 OH221383 -0.429 -3.239 -0.635 + 5025TIP3 H121384 -0.425 -3.328 -0.673 + 5025TIP3 H221385 -0.508 -3.204 -0.681 + 5026TIP3 OH221386 -0.010 -3.195 -2.426 + 5026TIP3 H121387 0.012 -3.255 -2.353 + 5026TIP3 H221388 0.074 -3.194 -2.475 + 5027TIP3 OH221389 0.234 -3.216 -0.696 + 5027TIP3 H121390 0.205 -3.182 -0.782 + 5027TIP3 H221391 0.241 -3.312 -0.711 + 5028TIP3 OH221392 0.510 -3.061 -2.469 + 5028TIP3 H121393 0.512 -3.065 -2.371 + 5028TIP3 H221394 0.510 -3.157 -2.489 + 5029TIP3 OH221395 0.771 -3.251 -0.946 + 5029TIP3 H121396 0.847 -3.202 -0.979 + 5029TIP3 H221397 0.698 -3.190 -0.965 + 5030TIP3 OH221398 -0.345 -3.526 -0.715 + 5030TIP3 H121399 -0.269 -3.586 -0.711 + 5030TIP3 H221400 -0.349 -3.496 -0.623 + 5031TIP3 OH221401 0.097 -3.384 -2.197 + 5031TIP3 H121402 0.048 -3.443 -2.138 + 5031TIP3 H221403 0.133 -3.449 -2.261 + 5032TIP3 OH221404 0.020 -3.610 -0.975 + 5032TIP3 H121405 -0.032 -3.531 -0.951 + 5032TIP3 H221406 0.090 -3.572 -1.031 + 5033TIP3 OH221407 0.196 -3.581 -2.368 + 5033TIP3 H121408 0.192 -3.577 -2.465 + 5033TIP3 H221409 0.292 -3.589 -2.353 + 5034TIP3 OH221410 0.552 -3.338 -0.613 + 5034TIP3 H121411 0.641 -3.357 -0.647 + 5034TIP3 H221412 0.527 -3.422 -0.574 + 5035TIP3 OH221413 1.147 -3.332 -2.438 + 5035TIP3 H121414 1.135 -3.373 -2.525 + 5035TIP3 H221415 1.136 -3.237 -2.461 + 5036TIP3 OH221416 0.080 -3.879 -0.859 + 5036TIP3 H121417 0.091 -3.943 -0.932 + 5036TIP3 H221418 0.061 -3.797 -0.908 + 5037TIP3 OH221419 0.119 -4.040 -1.118 + 5037TIP3 H121420 0.173 -3.981 -1.176 + 5037TIP3 H221421 0.028 -4.025 -1.152 + 5038TIP3 OH221422 0.264 -3.491 -1.075 + 5038TIP3 H121423 0.356 -3.495 -1.107 + 5038TIP3 H221424 0.238 -3.401 -1.103 + 5039TIP3 OH221425 0.726 -3.693 -0.595 + 5039TIP3 H121426 0.746 -3.786 -0.573 + 5039TIP3 H221427 0.814 -3.654 -0.599 + 5040TIP3 OH221428 0.826 -3.416 -0.740 + 5040TIP3 H121429 0.789 -3.355 -0.807 + 5040TIP3 H221430 0.912 -3.434 -0.781 + 5041TIP3 OH221431 -0.097 -3.696 -0.674 + 5041TIP3 H121432 -0.149 -3.778 -0.674 + 5041TIP3 H221433 -0.016 -3.724 -0.719 + 5042TIP3 OH221434 0.165 -4.279 -0.997 + 5042TIP3 H121435 0.181 -4.188 -1.031 + 5042TIP3 H221436 0.071 -4.285 -1.016 + 5043TIP3 OH221437 0.317 -3.848 -0.696 + 5043TIP3 H121438 0.282 -3.871 -0.608 + 5043TIP3 H221439 0.236 -3.864 -0.749 + 5044TIP3 OH221440 0.572 -3.947 -0.803 + 5044TIP3 H121441 0.484 -3.930 -0.765 + 5044TIP3 H221442 0.610 -4.009 -0.738 + 5045TIP3 OH221443 0.749 -4.137 -0.630 + 5045TIP3 H121444 0.730 -4.223 -0.590 + 5045TIP3 H221445 0.731 -4.076 -0.557 + 5046TIP3 OH221446 -0.216 -3.963 -0.686 + 5046TIP3 H121447 -0.245 -4.021 -0.759 + 5046TIP3 H221448 -0.266 -3.997 -0.611 + 5047TIP3 OH221449 0.276 -4.147 -0.583 + 5047TIP3 H121450 0.254 -4.227 -0.635 + 5047TIP3 H221451 0.193 -4.096 -0.586 + 5048TIP3 OH221452 0.172 -2.463 -2.263 + 5048TIP3 H121453 0.266 -2.448 -2.246 + 5048TIP3 H221454 0.161 -2.412 -2.344 + 5049TIP3 OH221455 -0.437 -3.025 -2.301 + 5049TIP3 H121456 -0.342 -3.000 -2.295 + 5049TIP3 H221457 -0.435 -3.097 -2.367 + 5050TIP3 OH221458 -0.592 -2.463 -1.782 + 5050TIP3 H121459 -0.633 -2.509 -1.857 + 5050TIP3 H221460 -0.560 -2.537 -1.728 + 5051TIP3 OH221461 -0.491 -2.703 -1.640 + 5051TIP3 H121462 -0.526 -2.785 -1.602 + 5051TIP3 H221463 -0.458 -2.662 -1.558 + 5052TIP3 OH221464 1.256 -2.575 -1.335 + 5052TIP3 H121465 1.268 -2.572 -1.239 + 5052TIP3 H221466 1.342 -2.542 -1.365 + 5053TIP3 OH221467 1.245 -2.628 -1.048 + 5053TIP3 H121468 1.193 -2.703 -1.081 + 5053TIP3 H221469 1.301 -2.671 -0.982 + 5054TIP3 OH221470 1.047 -3.084 -0.615 + 5054TIP3 H121471 0.958 -3.076 -0.578 + 5054TIP3 H221472 1.090 -3.002 -0.586 + 5055TIP3 OH221473 1.186 -3.195 -2.045 + 5055TIP3 H121474 1.276 -3.163 -2.026 + 5055TIP3 H221475 1.175 -3.258 -1.971 + 5056TIP3 OH221476 1.231 -3.400 -1.848 + 5056TIP3 H121477 1.164 -3.456 -1.804 + 5056TIP3 H221478 1.298 -3.387 -1.778 + 5057TIP3 OH221479 1.202 -3.151 -1.342 + 5057TIP3 H121480 1.262 -3.199 -1.401 + 5057TIP3 H221481 1.212 -3.060 -1.374 + 5058TIP3 OH221482 1.074 -2.859 -1.123 + 5058TIP3 H121483 1.002 -2.818 -1.073 + 5058TIP3 H221484 1.027 -2.893 -1.202 + 5059TIP3 OH221485 1.260 -3.454 -2.190 + 5059TIP3 H121486 1.206 -3.424 -2.266 + 5059TIP3 H221487 1.243 -3.382 -2.127 + 5060TIP3 OH221488 1.083 -3.698 -2.363 + 5060TIP3 H121489 1.111 -3.638 -2.434 + 5060TIP3 H221490 1.059 -3.779 -2.412 + 5061TIP3 OH221491 1.037 -3.590 -1.765 + 5061TIP3 H121492 1.018 -3.683 -1.782 + 5061TIP3 H221493 0.991 -3.578 -1.678 + 5062TIP3 OH221494 -0.491 -3.365 -1.395 + 5062TIP3 H121495 -0.461 -3.358 -1.487 + 5062TIP3 H221496 -0.407 -3.385 -1.349 + 5063TIP3 OH221497 1.086 -3.394 -0.852 + 5063TIP3 H121498 1.161 -3.454 -0.833 + 5063TIP3 H221499 1.130 -3.310 -0.871 + 5064TIP3 OH221500 1.241 -3.583 -0.728 + 5064TIP3 H121501 1.161 -3.635 -0.752 + 5064TIP3 H221502 1.310 -3.653 -0.730 + 5065TIP3 OH221503 1.027 -3.970 -2.447 + 5065TIP3 H121504 1.085 -4.012 -2.381 + 5065TIP3 H221505 0.943 -4.017 -2.436 + 5066TIP3 OH221506 1.005 -3.826 -1.948 + 5066TIP3 H121507 1.021 -3.923 -1.940 + 5066TIP3 H221508 1.089 -3.796 -1.985 + 5067TIP3 OH221509 1.032 -3.783 -1.406 + 5067TIP3 H121510 1.128 -3.766 -1.408 + 5067TIP3 H221511 1.015 -3.774 -1.311 + 5068TIP3 OH221512 1.050 -3.707 -1.122 + 5068TIP3 H121513 0.966 -3.666 -1.093 + 5068TIP3 H221514 1.103 -3.628 -1.143 + 5069TIP3 OH221515 -0.507 -3.836 -0.743 + 5069TIP3 H121516 -0.414 -3.857 -0.760 + 5069TIP3 H221517 -0.548 -3.924 -0.744 + 5070TIP3 OH221518 1.269 -4.275 -0.543 + 5070TIP3 H121519 1.309 -4.359 -0.569 + 5070TIP3 H221520 1.266 -4.219 -0.623 + 5071TIP3 OH221521 1.042 -4.099 -1.940 + 5071TIP3 H121522 1.058 -4.145 -1.856 + 5071TIP3 H221523 0.975 -4.157 -1.981 + 5072TIP3 OH221524 -0.430 -3.990 -1.477 + 5072TIP3 H121525 -0.400 -4.082 -1.464 + 5072TIP3 H221526 -0.356 -3.940 -1.437 + 5073TIP3 OH221527 -0.570 -3.729 -1.373 + 5073TIP3 H121528 -0.508 -3.730 -1.448 + 5073TIP3 H221529 -0.535 -3.656 -1.320 + 5074TIP3 OH221530 1.243 -4.113 -0.759 + 5074TIP3 H121531 1.159 -4.064 -0.751 + 5074TIP3 H221532 1.233 -4.146 -0.850 + 5075TIP3 OH221533 1.250 -4.059 -2.279 + 5075TIP3 H121534 1.271 -4.144 -2.322 + 5075TIP3 H221535 1.336 -4.015 -2.274 + 5076TIP3 OH221536 -0.516 -4.104 -1.966 + 5076TIP3 H121537 -0.611 -4.094 -1.985 + 5076TIP3 H221538 -0.476 -4.034 -2.023 + 5077TIP3 OH221539 0.942 -2.565 -1.756 + 5077TIP3 H121540 0.994 -2.593 -1.834 + 5077TIP3 H221541 1.011 -2.531 -1.698 + 5078TIP3 OH221542 -0.541 -4.127 -1.112 + 5078TIP3 H121543 -0.534 -4.221 -1.087 + 5078TIP3 H221544 -0.559 -4.135 -1.207 + 5079TIP3 OH221545 -0.030 -2.802 -1.117 + 5079TIP3 H121546 -0.065 -2.715 -1.143 + 5079TIP3 H221547 0.066 -2.786 -1.130 + 5080TIP3 OH221548 0.421 -2.671 -0.814 + 5080TIP3 H121549 0.432 -2.682 -0.719 + 5080TIP3 H221550 0.503 -2.622 -0.839 + 5081TIP3 OH221551 0.649 -2.524 -0.881 + 5081TIP3 H121552 0.720 -2.585 -0.905 + 5081TIP3 H221553 0.679 -2.490 -0.795 + 5082TIP3 OH221554 1.106 -4.278 -0.968 + 5082TIP3 H121555 1.057 -4.213 -1.022 + 5082TIP3 H221556 1.127 -4.344 -1.036 + 5083TIP3 OH221557 -0.305 -2.491 -1.092 + 5083TIP3 H121558 -0.373 -2.428 -1.119 + 5083TIP3 H221559 -0.324 -2.497 -0.997 + 5084TIP3 OH221560 -0.051 -2.528 -1.228 + 5084TIP3 H121561 -0.134 -2.506 -1.183 + 5084TIP3 H221562 -0.043 -2.454 -1.292 + 5085TIP3 OH221563 0.430 -2.526 -1.270 + 5085TIP3 H121564 0.393 -2.477 -1.346 + 5085TIP3 H221565 0.439 -2.454 -1.204 + 5086TIP3 OH221566 0.665 -2.651 -1.178 + 5086TIP3 H121567 0.579 -2.616 -1.209 + 5086TIP3 H221568 0.720 -2.572 -1.177 + 5087TIP3 OH221569 0.918 -2.483 -1.155 + 5087TIP3 H121570 0.916 -2.387 -1.173 + 5087TIP3 H221571 0.946 -2.516 -1.242 + 5088TIP3 OH221572 -0.340 -2.628 -1.389 + 5088TIP3 H121573 -0.343 -2.669 -1.300 + 5088TIP3 H221574 -0.256 -2.663 -1.421 + 5089TIP3 OH221575 -0.128 -2.755 -1.555 + 5089TIP3 H121576 -0.148 -2.841 -1.512 + 5089TIP3 H221577 -0.043 -2.731 -1.513 + 5090TIP3 OH221578 0.138 -2.705 -1.453 + 5090TIP3 H121579 0.162 -2.798 -1.470 + 5090TIP3 H221580 0.148 -2.701 -1.357 + 5091TIP3 OH221581 0.477 -4.115 -1.521 + 5091TIP3 H121582 0.410 -4.182 -1.499 + 5091TIP3 H221583 0.532 -4.161 -1.585 + 5092TIP3 OH221584 0.997 -4.340 -1.488 + 5092TIP3 H121585 1.059 -4.288 -1.541 + 5092TIP3 H221586 0.912 -4.298 -1.508 + 5093TIP3 OH221587 1.202 -4.228 -1.695 + 5093TIP3 H121588 1.247 -4.242 -1.779 + 5093TIP3 H221589 1.211 -4.132 -1.682 + 5094TIP3 OH221590 -0.292 -4.285 -1.798 + 5094TIP3 H121591 -0.385 -4.306 -1.812 + 5094TIP3 H221592 -0.260 -4.364 -1.754 + 5095TIP3 OH221593 -0.434 -4.291 -2.169 + 5095TIP3 H121594 -0.388 -4.242 -2.240 + 5095TIP3 H221595 -0.471 -4.218 -2.116 + 5096TIP3 OH221596 0.162 -4.257 -1.786 + 5096TIP3 H121597 0.254 -4.224 -1.783 + 5096TIP3 H221598 0.148 -4.282 -1.694 + 5097TIP3 OH221599 0.705 -4.266 -1.633 + 5097TIP3 H121600 0.745 -4.261 -1.721 + 5097TIP3 H221601 0.704 -4.361 -1.613 + 5098TIP3 OH221602 0.825 -4.273 -2.034 + 5098TIP3 H121603 0.751 -4.209 -2.048 + 5098TIP3 H221604 0.780 -4.358 -2.040 + 5099TIP3 OH221605 -0.394 -2.696 -2.065 + 5099TIP3 H121606 -0.461 -2.706 -2.134 + 5099TIP3 H221607 -0.387 -2.599 -2.063 + 5100TIP3 OH221608 -0.243 -4.125 -2.326 + 5100TIP3 H121609 -0.172 -4.162 -2.382 + 5100TIP3 H221610 -0.189 -4.074 -2.262 + 5101TIP3 OH221611 0.271 -4.059 -2.091 + 5101TIP3 H121612 0.302 -4.141 -2.048 + 5101TIP3 H221613 0.300 -3.990 -2.028 + 5102TIP3 OH221614 0.476 -2.513 -2.251 + 5102TIP3 H121615 0.573 -2.512 -2.256 + 5102TIP3 H221616 0.457 -2.579 -2.321 + 5103TIP3 OH221617 1.128 -2.611 -1.996 + 5103TIP3 H121618 1.104 -2.695 -2.039 + 5103TIP3 H221619 1.122 -2.549 -2.070 + 5104TIP3 OH221620 -0.331 -4.178 -0.845 + 5104TIP3 H121621 -0.375 -4.259 -0.816 + 5104TIP3 H221622 -0.242 -4.214 -0.858 + 5105TIP3 OH221623 -0.038 -4.278 -0.582 + 5105TIP3 H121624 0.049 -4.304 -0.619 + 5105TIP3 H221625 -0.063 -4.358 -0.534 + 5106TIP3 OH221626 -0.250 -2.606 -2.382 + 5106TIP3 H121627 -0.267 -2.573 -2.293 + 5106TIP3 H221628 -0.167 -2.656 -2.371 + 5107TIP3 OH221629 1.074 -2.736 -0.752 + 5107TIP3 H121630 1.002 -2.752 -0.816 + 5107TIP3 H221631 1.061 -2.641 -0.736 + 5108TIP3 OH221632 2.497 -3.368 -1.744 + 5108TIP3 H121633 2.496 -3.272 -1.727 + 5108TIP3 H221634 2.418 -3.378 -1.798 + 5109TIP3 OH221635 2.384 -3.424 -1.436 + 5109TIP3 H121636 2.380 -3.476 -1.355 + 5109TIP3 H221637 2.352 -3.487 -1.502 + 5110TIP3 OH221638 1.632 -3.465 -1.269 + 5110TIP3 H121639 1.628 -3.539 -1.205 + 5110TIP3 H221640 1.699 -3.408 -1.228 + 5111TIP3 OH221641 2.753 -3.144 -1.598 + 5111TIP3 H121642 2.715 -3.211 -1.540 + 5111TIP3 H221643 2.781 -3.077 -1.533 + 5112TIP3 OH221644 1.696 -2.999 -1.419 + 5112TIP3 H121645 1.671 -3.091 -1.442 + 5112TIP3 H221646 1.788 -3.012 -1.394 + 5113TIP3 OH221647 1.395 -3.661 -1.881 + 5113TIP3 H121648 1.356 -3.574 -1.867 + 5113TIP3 H221649 1.320 -3.710 -1.915 + 5114TIP3 OH221650 1.476 -3.413 -1.694 + 5114TIP3 H121651 1.489 -3.496 -1.644 + 5114TIP3 H221652 1.560 -3.404 -1.740 + 5115TIP3 OH221653 2.451 -2.616 -1.548 + 5115TIP3 H121654 2.513 -2.685 -1.577 + 5115TIP3 H221655 2.428 -2.645 -1.459 + 5116TIP3 OH221656 2.231 -3.172 -1.379 + 5116TIP3 H121657 2.265 -3.244 -1.435 + 5116TIP3 H221658 2.311 -3.155 -1.326 + 5117TIP3 OH221659 3.087 -4.018 -1.324 + 5117TIP3 H121660 3.116 -3.978 -1.241 + 5117TIP3 H221661 3.153 -3.981 -1.385 + 5118TIP3 OH221662 2.561 -3.740 -1.326 + 5118TIP3 H121663 2.578 -3.836 -1.325 + 5118TIP3 H221664 2.550 -3.724 -1.421 + 5119TIP3 OH221665 1.857 -3.942 -1.617 + 5119TIP3 H121666 1.872 -3.856 -1.661 + 5119TIP3 H221667 1.822 -3.993 -1.692 + 5120TIP3 OH221668 2.645 -3.926 -1.786 + 5120TIP3 H121669 2.706 -3.963 -1.719 + 5120TIP3 H221670 2.707 -3.874 -1.841 + 5121TIP3 OH221671 1.528 -3.661 -1.570 + 5121TIP3 H121672 1.586 -3.711 -1.510 + 5121TIP3 H221673 1.534 -3.713 -1.652 + 5122TIP3 OH221674 2.066 -3.525 -1.625 + 5122TIP3 H121675 2.135 -3.580 -1.583 + 5122TIP3 H221676 2.013 -3.592 -1.672 + 5123TIP3 OH221677 3.180 -3.847 -1.058 + 5123TIP3 H121678 3.103 -3.796 -1.089 + 5123TIP3 H221679 3.145 -3.888 -0.978 + 5124TIP3 OH221680 1.737 -4.056 -1.201 + 5124TIP3 H121681 1.703 -4.000 -1.273 + 5124TIP3 H221682 1.669 -4.037 -1.133 + 5125TIP3 OH221683 2.491 -3.080 -1.865 + 5125TIP3 H121684 2.453 -3.103 -1.950 + 5125TIP3 H221685 2.444 -2.997 -1.844 + 5126TIP3 OH221686 2.030 -3.270 -1.192 + 5126TIP3 H121687 1.957 -3.210 -1.165 + 5126TIP3 H221688 2.093 -3.208 -1.233 + 5127TIP3 OH221689 2.840 -4.018 -1.581 + 5127TIP3 H121690 2.783 -4.059 -1.514 + 5127TIP3 H221691 2.885 -3.950 -1.528 + 5128TIP3 OH221692 1.698 -3.857 -1.407 + 5128TIP3 H121693 1.760 -3.795 -1.363 + 5128TIP3 H221694 1.755 -3.890 -1.480 + 5129TIP3 OH221695 1.829 -3.083 -1.119 + 5129TIP3 H121696 1.827 -2.990 -1.148 + 5129TIP3 H221697 1.742 -3.088 -1.074 + 5130TIP3 OH221698 1.463 -3.112 -2.030 + 5130TIP3 H121699 1.441 -3.061 -2.110 + 5130TIP3 H221700 1.479 -3.042 -1.963 + 5131TIP3 OH221701 2.818 -2.936 -1.373 + 5131TIP3 H121702 2.722 -2.918 -1.363 + 5131TIP3 H221703 2.855 -2.850 -1.397 + 5132TIP3 OH221704 2.849 -4.111 -1.181 + 5132TIP3 H121705 2.768 -4.077 -1.222 + 5132TIP3 H221706 2.915 -4.095 -1.251 + 5133TIP3 OH221707 2.159 4.381 -1.480 + 5133TIP3 H121708 2.155 4.286 -1.467 + 5133TIP3 H221709 2.072 4.413 -1.447 + 5134TIP3 OH221710 2.637 -2.773 -1.698 + 5134TIP3 H121711 2.687 -2.852 -1.726 + 5134TIP3 H221712 2.704 -2.703 -1.705 + 5135TIP3 OH221713 2.787 -2.992 -1.839 + 5135TIP3 H121714 2.723 -3.035 -1.898 + 5135TIP3 H221715 2.781 -3.049 -1.760 + 5136TIP3 OH221716 2.935 -3.113 -0.981 + 5136TIP3 H121717 2.925 -3.170 -1.059 + 5136TIP3 H221718 2.941 -3.024 -1.023 + 5137TIP3 OH221719 2.361 -3.417 -2.016 + 5137TIP3 H121720 2.294 -3.354 -2.050 + 5137TIP3 H221721 2.432 -3.408 -2.081 + 5138TIP3 OH221722 2.391 -3.596 -2.310 + 5138TIP3 H121723 2.459 -3.565 -2.249 + 5138TIP3 H221724 2.444 -3.652 -2.369 + 5139TIP3 OH221725 3.111 -3.489 -1.193 + 5139TIP3 H121726 3.039 -3.424 -1.183 + 5139TIP3 H221727 3.159 -3.452 -1.270 + 5140TIP3 OH221728 2.713 -3.416 -1.908 + 5140TIP3 H121729 2.644 -3.392 -1.842 + 5140TIP3 H221730 2.773 -3.469 -1.853 + 5141TIP3 OH221731 2.697 -3.562 -1.025 + 5141TIP3 H121732 2.703 -3.482 -0.971 + 5141TIP3 H221733 2.632 -3.530 -1.090 + 5142TIP3 OH221734 1.872 -3.337 -1.730 + 5142TIP3 H121735 1.841 -3.381 -1.812 + 5142TIP3 H221736 1.938 -3.401 -1.697 + 5143TIP3 OH221737 2.009 -2.997 -1.457 + 5143TIP3 H121738 1.998 -3.037 -1.544 + 5143TIP3 H221739 2.088 -3.042 -1.423 + 5144TIP3 OH221740 1.934 -3.459 -1.381 + 5144TIP3 H121741 1.990 -3.451 -1.460 + 5144TIP3 H221742 1.969 -3.389 -1.322 + 5145TIP3 OH221743 2.531 -2.904 -1.324 + 5145TIP3 H121744 2.526 -2.836 -1.254 + 5145TIP3 H221745 2.508 -2.986 -1.277 + 5146TIP3 OH221746 2.014 -3.026 -0.897 + 5146TIP3 H121747 1.965 -2.958 -0.848 + 5146TIP3 H221748 1.950 -3.050 -0.966 + 5147TIP3 OH221749 2.611 -3.474 -2.162 + 5147TIP3 H121750 2.655 -3.442 -2.080 + 5147TIP3 H221751 2.659 -3.421 -2.230 + 5148TIP3 OH221752 1.708 -3.387 -0.985 + 5148TIP3 H121753 1.714 -3.327 -0.909 + 5148TIP3 H221754 1.612 -3.398 -0.993 + 5149TIP3 OH221755 2.354 -2.810 -1.806 + 5149TIP3 H121756 2.400 -2.781 -1.726 + 5149TIP3 H221757 2.304 -2.731 -1.832 + 5150TIP3 OH221758 1.826 -2.810 -0.817 + 5150TIP3 H121759 1.813 -2.802 -0.913 + 5150TIP3 H221760 1.737 -2.833 -0.784 + 5151TIP3 OH221761 2.991 -4.338 -2.163 + 5151TIP3 H121762 2.897 -4.324 -2.143 + 5151TIP3 H221763 3.013 -4.255 -2.207 + 5152TIP3 OH221764 1.765 -3.464 -1.977 + 5152TIP3 H121765 1.744 -3.387 -2.032 + 5152TIP3 H221766 1.697 -3.527 -2.003 + 5153TIP3 OH221767 3.091 -2.881 -2.362 + 5153TIP3 H121768 3.107 -2.788 -2.337 + 5153TIP3 H221769 3.177 -2.923 -2.340 + 5154TIP3 OH221770 1.373 -3.196 -1.104 + 5154TIP3 H121771 1.325 -3.195 -1.189 + 5154TIP3 H221772 1.383 -3.292 -1.088 + 5155TIP3 OH221773 1.377 -2.902 -1.413 + 5155TIP3 H121774 1.469 -2.932 -1.405 + 5155TIP3 H221775 1.369 -2.843 -1.337 + 5156TIP3 OH221776 3.217 -2.846 -0.826 + 5156TIP3 H121777 3.201 -2.939 -0.850 + 5156TIP3 H221778 3.125 -2.818 -0.805 + 5157TIP3 OH221779 2.279 -2.920 -0.954 + 5157TIP3 H121780 2.288 -2.837 -0.902 + 5157TIP3 H221781 2.189 -2.948 -0.930 + 5158TIP3 OH221782 2.309 -2.538 -1.958 + 5158TIP3 H121783 2.308 -2.525 -2.054 + 5158TIP3 H221784 2.310 -2.447 -1.923 + 5159TIP3 OH221785 1.689 -2.625 -1.795 + 5159TIP3 H121786 1.704 -2.669 -1.709 + 5159TIP3 H221787 1.604 -2.664 -1.821 + 5160TIP3 OH221788 2.637 -2.597 -2.241 + 5160TIP3 H121789 2.694 -2.664 -2.283 + 5160TIP3 H221790 2.631 -2.631 -2.149 + 5161TIP3 OH221791 2.577 -2.654 -1.961 + 5161TIP3 H121792 2.482 -2.638 -1.944 + 5161TIP3 H221793 2.595 -2.721 -1.893 + 5162TIP3 OH221794 2.895 -3.709 -0.794 + 5162TIP3 H121795 2.842 -3.668 -0.864 + 5162TIP3 H221796 2.901 -3.801 -0.824 + 5163TIP3 OH221797 1.590 -3.041 -0.981 + 5163TIP3 H121798 1.616 -3.087 -0.898 + 5163TIP3 H221799 1.516 -3.095 -1.013 + 5164TIP3 OH221800 1.909 -4.219 -1.390 + 5164TIP3 H121801 1.824 -4.236 -1.432 + 5164TIP3 H221802 1.890 -4.136 -1.344 + 5165TIP3 OH221803 2.365 -4.263 -1.031 + 5165TIP3 H121804 2.385 -4.309 -0.949 + 5165TIP3 H221805 2.270 -4.277 -1.039 + 5166TIP3 OH221806 2.664 -3.863 -0.989 + 5166TIP3 H121807 2.605 -3.875 -0.912 + 5166TIP3 H221808 2.658 -3.767 -1.006 + 5167TIP3 OH221809 2.763 -3.365 -2.363 + 5167TIP3 H121810 2.744 -3.380 -2.457 + 5167TIP3 H221811 2.855 -3.336 -2.367 + 5168TIP3 OH221812 2.330 -3.996 -2.316 + 5168TIP3 H121813 2.275 -4.004 -2.236 + 5168TIP3 H221814 2.279 -4.054 -2.376 + 5169TIP3 OH221815 1.895 -3.716 -1.262 + 5169TIP3 H121816 1.835 -3.703 -1.186 + 5169TIP3 H221817 1.903 -3.625 -1.297 + 5170TIP3 OH221818 1.889 -3.709 -1.773 + 5170TIP3 H121819 1.793 -3.717 -1.788 + 5170TIP3 H221820 1.923 -3.726 -1.863 + 5171TIP3 OH221821 2.451 -3.652 -1.898 + 5171TIP3 H121822 2.410 -3.569 -1.928 + 5171TIP3 H221823 2.517 -3.666 -1.967 + 5172TIP3 OH221824 2.371 -3.633 -0.765 + 5172TIP3 H121825 2.318 -3.706 -0.725 + 5172TIP3 H221826 2.457 -3.644 -0.720 + 5173TIP3 OH221827 2.536 -3.712 -1.618 + 5173TIP3 H121828 2.507 -3.651 -1.689 + 5173TIP3 H221829 2.552 -3.792 -1.671 + 5174TIP3 OH221830 1.634 -3.698 -1.081 + 5174TIP3 H121831 1.655 -3.667 -0.993 + 5174TIP3 H221832 1.592 -3.784 -1.061 + 5175TIP3 OH221833 1.968 -3.944 -2.422 + 5175TIP3 H121834 1.933 -3.978 -2.338 + 5175TIP3 H221835 1.888 -3.927 -2.473 + 5176TIP3 OH221836 1.313 -3.954 -1.717 + 5176TIP3 H121837 1.368 -3.955 -1.636 + 5176TIP3 H221838 1.370 -3.995 -1.783 + 5177TIP3 OH221839 1.471 -3.911 -2.145 + 5177TIP3 H121840 1.525 -3.859 -2.207 + 5177TIP3 H221841 1.400 -3.847 -2.125 + 5178TIP3 OH221842 2.444 -3.544 -1.174 + 5178TIP3 H121843 2.489 -3.617 -1.222 + 5178TIP3 H221844 2.413 -3.589 -1.094 + 5179TIP3 OH221845 2.167 -3.945 -1.676 + 5179TIP3 H121846 2.072 -3.957 -1.655 + 5179TIP3 H221847 2.208 -3.970 -1.591 + 5180TIP3 OH221848 1.624 -3.826 -1.804 + 5180TIP3 H121849 1.542 -3.797 -1.849 + 5180TIP3 H221850 1.649 -3.908 -1.852 + 5181TIP3 OH221851 1.987 -3.793 -2.036 + 5181TIP3 H121852 2.083 -3.782 -2.032 + 5181TIP3 H221853 1.959 -3.733 -2.107 + 5182TIP3 OH221854 2.601 -4.033 -1.373 + 5182TIP3 H121855 2.541 -4.034 -1.295 + 5182TIP3 H221856 2.539 -4.064 -1.441 + 5183TIP3 OH221857 1.834 -3.674 -2.259 + 5183TIP3 H121858 1.774 -3.695 -2.332 + 5183TIP3 H221859 1.914 -3.648 -2.307 + 5184TIP3 OH221860 2.906 -2.457 -0.704 + 5184TIP3 H121861 2.925 -2.414 -0.789 + 5184TIP3 H221862 2.977 -2.424 -0.647 + 5185TIP3 OH221863 1.696 -3.196 -0.762 + 5185TIP3 H121864 1.764 -3.186 -0.691 + 5185TIP3 H221865 1.616 -3.195 -0.706 + 5186TIP3 OH221866 2.268 -3.695 -1.489 + 5186TIP3 H121867 2.341 -3.739 -1.535 + 5186TIP3 H221868 2.251 -3.755 -1.414 + 5187TIP3 OH221869 1.781 -4.067 -1.868 + 5187TIP3 H121870 1.736 -4.152 -1.854 + 5187TIP3 H221871 1.867 -4.094 -1.902 + 5188TIP3 OH221872 2.165 -3.848 -1.263 + 5188TIP3 H121873 2.089 -3.788 -1.263 + 5188TIP3 H221874 2.214 -3.821 -1.183 + 5189TIP3 OH221875 2.180 -3.211 -2.075 + 5189TIP3 H121876 2.103 -3.260 -2.110 + 5189TIP3 H221877 2.159 -3.204 -1.979 + 5190TIP3 OH221878 2.902 -3.298 -1.201 + 5190TIP3 H121879 2.952 -3.241 -1.264 + 5190TIP3 H221880 2.816 -3.306 -1.247 + 5191TIP3 OH221881 2.597 -3.931 -2.314 + 5191TIP3 H121882 2.498 -3.939 -2.311 + 5191TIP3 H221883 2.615 -3.862 -2.246 + 5192TIP3 OH221884 2.341 -3.210 -0.943 + 5192TIP3 H121885 2.313 -3.239 -0.854 + 5192TIP3 H221886 2.314 -3.116 -0.943 + 5193TIP3 OH221887 2.662 -3.749 -2.100 + 5193TIP3 H121888 2.748 -3.760 -2.056 + 5193TIP3 H221889 2.668 -3.658 -2.135 + 5194TIP3 OH221890 1.694 -3.270 -1.492 + 5194TIP3 H121891 1.749 -3.282 -1.571 + 5194TIP3 H221892 1.702 -3.357 -1.449 + 5195TIP3 OH221893 2.418 -3.073 -2.184 + 5195TIP3 H121894 2.393 -2.987 -2.145 + 5195TIP3 H221895 2.343 -3.128 -2.155 + 5196TIP3 OH221896 1.420 -3.444 -0.967 + 5196TIP3 H121897 1.434 -3.489 -0.881 + 5196TIP3 H221898 1.356 -3.503 -1.012 + 5197TIP3 OH221899 2.116 -3.494 -0.767 + 5197TIP3 H121900 2.081 -3.517 -0.855 + 5197TIP3 H221901 2.210 -3.519 -0.778 + 5198TIP3 OH221902 2.568 -2.956 -0.995 + 5198TIP3 H121903 2.472 -2.940 -1.000 + 5198TIP3 H221904 2.588 -2.923 -0.905 + 5199TIP3 OH221905 3.121 -3.746 -2.118 + 5199TIP3 H121906 3.065 -3.761 -2.198 + 5199TIP3 H221907 3.135 -3.650 -2.130 + 5200TIP3 OH221908 3.168 -3.144 -0.838 + 5200TIP3 H121909 3.074 -3.121 -0.857 + 5200TIP3 H221910 3.201 -3.158 -0.929 + 5201TIP3 OH221911 2.935 -2.885 -2.115 + 5201TIP3 H121912 2.918 -2.957 -2.051 + 5201TIP3 H221913 3.000 -2.924 -2.175 + 5202TIP3 OH221914 2.668 -3.350 -1.370 + 5202TIP3 H121915 2.574 -3.364 -1.394 + 5202TIP3 H221916 2.711 -3.421 -1.421 + 5203TIP3 OH221917 1.931 -2.943 -1.771 + 5203TIP3 H121918 1.973 -2.856 -1.779 + 5203TIP3 H221919 1.839 -2.923 -1.788 + 5204TIP3 OH221920 1.530 -3.463 -2.306 + 5204TIP3 H121921 1.587 -3.394 -2.266 + 5204TIP3 H221922 1.442 -3.437 -2.271 + 5205TIP3 OH221923 2.114 -3.173 -1.806 + 5205TIP3 H121924 2.084 -3.082 -1.791 + 5205TIP3 H221925 2.043 -3.223 -1.762 + 5206TIP3 OH221926 2.131 -2.748 -1.170 + 5206TIP3 H121927 2.185 -2.671 -1.197 + 5206TIP3 H221928 2.192 -2.795 -1.112 + 5207TIP3 OH221929 1.975 -2.652 -1.847 + 5207TIP3 H121930 1.880 -2.637 -1.836 + 5207TIP3 H221931 2.011 -2.565 -1.821 + 5208TIP3 OH221932 2.469 -3.175 -1.214 + 5208TIP3 H121933 2.442 -3.197 -1.123 + 5208TIP3 H221934 2.546 -3.232 -1.227 + 5209TIP3 OH221935 2.688 -3.042 -2.321 + 5209TIP3 H121936 2.730 -3.086 -2.245 + 5209TIP3 H221937 2.595 -3.055 -2.295 + 5210TIP3 OH221938 2.763 -2.710 -0.972 + 5210TIP3 H121939 2.689 -2.755 -1.016 + 5210TIP3 H221940 2.781 -2.635 -1.031 + 5211TIP3 OH221941 3.165 -2.613 -2.274 + 5211TIP3 H121942 3.236 -2.547 -2.281 + 5211TIP3 H221943 3.088 -2.554 -2.265 + 5212TIP3 OH221944 1.552 -3.961 -1.007 + 5212TIP3 H121945 1.461 -3.942 -1.038 + 5212TIP3 H221946 1.536 -4.048 -0.964 + 5213TIP3 OH221947 2.783 -3.184 -2.086 + 5213TIP3 H121948 2.757 -3.252 -2.022 + 5213TIP3 H221949 2.880 -3.180 -2.073 + 5214TIP3 OH221950 1.527 -2.804 -1.166 + 5214TIP3 H121951 1.557 -2.894 -1.146 + 5214TIP3 H221952 1.546 -2.760 -1.083 + 5215TIP3 OH221953 2.113 -2.937 -2.464 + 5215TIP3 H121954 2.141 -3.017 -2.511 + 5215TIP3 H221955 2.070 -2.975 -2.385 + 5216TIP3 OH221956 1.998 -2.985 -2.193 + 5216TIP3 H121957 2.046 -3.036 -2.127 + 5216TIP3 H221958 2.011 -2.893 -2.160 + 5217TIP3 OH221959 1.681 -3.241 -2.152 + 5217TIP3 H121960 1.607 -3.203 -2.100 + 5217TIP3 H221961 1.727 -3.160 -2.180 + 5218TIP3 OH221962 2.446 -4.010 -1.144 + 5218TIP3 H121963 2.503 -3.980 -1.072 + 5218TIP3 H221964 2.406 -4.091 -1.107 + 5219TIP3 OH221965 2.531 -4.061 -2.027 + 5219TIP3 H121966 2.524 -3.999 -2.101 + 5219TIP3 H221967 2.555 -4.001 -1.954 + 5220TIP3 OH221968 2.290 -2.825 -2.131 + 5220TIP3 H121969 2.210 -2.774 -2.109 + 5220TIP3 H221970 2.327 -2.773 -2.203 + 5221TIP3 OH221971 2.258 -3.854 -1.925 + 5221TIP3 H121972 2.328 -3.786 -1.911 + 5221TIP3 H221973 2.225 -3.867 -1.834 + 5222TIP3 OH221974 2.288 -3.762 -1.015 + 5222TIP3 H121975 2.293 -3.709 -0.934 + 5222TIP3 H221976 2.346 -3.836 -0.993 + 5223TIP3 OH221977 2.331 -4.173 -1.822 + 5223TIP3 H121978 2.291 -4.098 -1.774 + 5223TIP3 H221979 2.378 -4.128 -1.893 + 5224TIP3 OH221980 2.011 -2.715 -2.129 + 5224TIP3 H121981 2.005 -2.633 -2.182 + 5224TIP3 H221982 1.997 -2.681 -2.039 + 5225TIP3 OH221983 1.880 -4.050 -2.177 + 5225TIP3 H121984 1.882 -3.969 -2.124 + 5225TIP3 H221985 1.968 -4.087 -2.155 + 5226TIP3 OH221986 2.925 -3.963 -0.932 + 5226TIP3 H121987 2.829 -3.952 -0.942 + 5226TIP3 H221988 2.946 -3.988 -1.023 + 5227TIP3 OH221989 2.769 -3.575 -1.525 + 5227TIP3 H121990 2.685 -3.619 -1.548 + 5227TIP3 H221991 2.816 -3.646 -1.476 + 5228TIP3 OH221992 1.724 -2.960 -2.276 + 5228TIP3 H121993 1.796 -2.910 -2.236 + 5228TIP3 H221994 1.774 -3.010 -2.342 + 5229TIP3 OH221995 1.539 -3.744 -2.366 + 5229TIP3 H121996 1.550 -3.650 -2.342 + 5229TIP3 H221997 1.451 -3.744 -2.406 + 5230TIP3 OH221998 1.558 -4.242 -1.465 + 5230TIP3 H121999 1.592 -4.241 -1.555 + 5230TIP3 H222000 1.573 -4.335 -1.443 + 5231TIP3 OH222001 1.518 -2.892 -1.860 + 5231TIP3 H122002 1.443 -2.838 -1.831 + 5231TIP3 H222003 1.557 -2.836 -1.929 + 5232TIP3 OH222004 1.457 -2.594 -0.739 + 5232TIP3 H122005 1.513 -2.621 -0.663 + 5232TIP3 H222006 1.417 -2.678 -0.766 + 5233TIP3 OH222007 1.923 -2.695 -0.563 + 5233TIP3 H122008 1.998 -2.754 -0.543 + 5233TIP3 H222009 1.906 -2.718 -0.656 + 5234TIP3 OH222010 2.334 -2.766 -2.415 + 5234TIP3 H122011 2.257 -2.826 -2.421 + 5234TIP3 H222012 2.404 -2.824 -2.450 + 5235TIP3 OH222013 2.578 -2.867 -0.708 + 5235TIP3 H122014 2.538 -2.947 -0.669 + 5235TIP3 H222015 2.645 -2.842 -0.642 + 5236TIP3 OH222016 2.798 -2.777 -2.404 + 5236TIP3 H122017 2.811 -2.855 -2.347 + 5236TIP3 H222018 2.880 -2.777 -2.457 + 5237TIP3 OH222019 1.455 -3.236 -0.631 + 5237TIP3 H122020 1.464 -3.325 -0.667 + 5237TIP3 H222021 1.378 -3.204 -0.682 + 5238TIP3 OH222022 1.877 -3.193 -2.430 + 5238TIP3 H122023 1.892 -3.251 -2.353 + 5238TIP3 H222024 1.964 -3.197 -2.474 + 5239TIP3 OH222025 2.119 -3.216 -0.697 + 5239TIP3 H122026 2.088 -3.182 -0.782 + 5239TIP3 H222027 2.124 -3.313 -0.713 + 5240TIP3 OH222028 2.402 -3.059 -2.468 + 5240TIP3 H122029 2.396 -3.064 -2.371 + 5240TIP3 H222030 2.395 -3.155 -2.490 + 5241TIP3 OH222031 2.656 -3.253 -0.959 + 5241TIP3 H122032 2.735 -3.200 -0.976 + 5241TIP3 H222033 2.587 -3.185 -0.959 + 5242TIP3 OH222034 1.541 -3.523 -0.714 + 5242TIP3 H122035 1.616 -3.586 -0.712 + 5242TIP3 H222036 1.536 -3.499 -0.620 + 5243TIP3 OH222037 1.985 -3.385 -2.196 + 5243TIP3 H122038 1.924 -3.435 -2.140 + 5243TIP3 H222039 2.015 -3.454 -2.259 + 5244TIP3 OH222040 1.908 -3.609 -0.970 + 5244TIP3 H122041 1.852 -3.531 -0.951 + 5244TIP3 H222042 1.972 -3.572 -1.033 + 5245TIP3 OH222043 2.080 -3.584 -2.370 + 5245TIP3 H122044 2.076 -3.575 -2.467 + 5245TIP3 H222045 2.176 -3.587 -2.355 + 5246TIP3 OH222046 2.437 -3.338 -0.615 + 5246TIP3 H122047 2.528 -3.356 -0.645 + 5246TIP3 H222048 2.413 -3.422 -0.573 + 5247TIP3 OH222049 3.032 -3.332 -2.438 + 5247TIP3 H122050 3.021 -3.372 -2.525 + 5247TIP3 H222051 3.022 -3.237 -2.460 + 5248TIP3 OH222052 1.966 -3.879 -0.860 + 5248TIP3 H122053 1.974 -3.943 -0.932 + 5248TIP3 H222054 1.945 -3.797 -0.908 + 5249TIP3 OH222055 2.005 -4.039 -1.119 + 5249TIP3 H122056 2.057 -3.980 -1.178 + 5249TIP3 H222057 1.913 -4.025 -1.151 + 5250TIP3 OH222058 2.155 -3.488 -1.072 + 5250TIP3 H122059 2.240 -3.493 -1.119 + 5250TIP3 H222060 2.123 -3.400 -1.101 + 5251TIP3 OH222061 2.611 -3.694 -0.595 + 5251TIP3 H122062 2.633 -3.786 -0.576 + 5251TIP3 H222063 2.700 -3.653 -0.597 + 5252TIP3 OH222064 2.711 -3.415 -0.745 + 5252TIP3 H122065 2.675 -3.353 -0.812 + 5252TIP3 H222066 2.801 -3.428 -0.782 + 5253TIP3 OH222067 1.789 -3.697 -0.674 + 5253TIP3 H122068 1.736 -3.778 -0.676 + 5253TIP3 H222069 1.869 -3.725 -0.722 + 5254TIP3 OH222070 2.051 -4.278 -0.998 + 5254TIP3 H122071 2.066 -4.187 -1.031 + 5254TIP3 H222072 1.957 -4.285 -1.015 + 5255TIP3 OH222073 2.200 -3.845 -0.700 + 5255TIP3 H122074 2.168 -3.871 -0.612 + 5255TIP3 H222075 2.119 -3.863 -0.752 + 5256TIP3 OH222076 2.458 -3.946 -0.803 + 5256TIP3 H122077 2.370 -3.930 -0.765 + 5256TIP3 H222078 2.496 -4.009 -0.739 + 5257TIP3 OH222079 2.632 -4.137 -0.633 + 5257TIP3 H122080 2.618 -4.224 -0.594 + 5257TIP3 H222081 2.618 -4.077 -0.558 + 5258TIP3 OH222082 1.668 -3.960 -0.689 + 5258TIP3 H122083 1.640 -4.020 -0.761 + 5258TIP3 H222084 1.621 -3.997 -0.613 + 5259TIP3 OH222085 2.163 -4.147 -0.589 + 5259TIP3 H122086 2.139 -4.228 -0.636 + 5259TIP3 H222087 2.078 -4.098 -0.584 + 5260TIP3 OH222088 2.058 -2.462 -2.261 + 5260TIP3 H122089 2.153 -2.447 -2.248 + 5260TIP3 H222090 2.043 -2.413 -2.343 + 5261TIP3 OH222091 1.448 -3.020 -2.307 + 5261TIP3 H122092 1.543 -3.001 -2.293 + 5261TIP3 H222093 1.451 -3.099 -2.365 + 5262TIP3 OH222094 1.349 -2.502 -1.834 + 5262TIP3 H122095 1.276 -2.539 -1.887 + 5262TIP3 H222096 1.358 -2.570 -1.764 + 5263TIP3 OH222097 1.388 -2.700 -1.635 + 5263TIP3 H122098 1.357 -2.786 -1.602 + 5263TIP3 H222099 1.421 -2.662 -1.552 + 5264TIP3 OH222100 3.133 -2.622 -1.017 + 5264TIP3 H122101 3.106 -2.663 -1.101 + 5264TIP3 H222102 3.184 -2.693 -0.976 + 5265TIP3 OH222103 2.931 -3.087 -0.614 + 5265TIP3 H122104 2.842 -3.076 -0.578 + 5265TIP3 H222105 2.975 -3.004 -0.589 + 5266TIP3 OH222106 3.072 -3.195 -2.045 + 5266TIP3 H122107 3.162 -3.162 -2.027 + 5266TIP3 H222108 3.062 -3.257 -1.971 + 5267TIP3 OH222109 3.117 -3.401 -1.849 + 5267TIP3 H122110 3.050 -3.454 -1.802 + 5267TIP3 H222111 3.184 -3.385 -1.779 + 5268TIP3 OH222112 3.083 -3.152 -1.346 + 5268TIP3 H122113 3.149 -3.190 -1.405 + 5268TIP3 H222114 3.089 -3.058 -1.371 + 5269TIP3 OH222115 2.953 -2.878 -1.110 + 5269TIP3 H122116 2.891 -2.812 -1.074 + 5269TIP3 H222117 2.926 -2.883 -1.204 + 5270TIP3 OH222118 3.142 -3.455 -2.188 + 5270TIP3 H122119 3.092 -3.425 -2.266 + 5270TIP3 H222120 3.129 -3.381 -2.127 + 5271TIP3 OH222121 2.973 -3.701 -2.362 + 5271TIP3 H122122 2.996 -3.637 -2.430 + 5271TIP3 H222123 2.945 -3.778 -2.415 + 5272TIP3 OH222124 2.911 -3.586 -1.764 + 5272TIP3 H122125 2.900 -3.681 -1.779 + 5272TIP3 H222126 2.873 -3.574 -1.674 + 5273TIP3 OH222127 1.394 -3.366 -1.395 + 5273TIP3 H122128 1.420 -3.358 -1.488 + 5273TIP3 H222129 1.481 -3.385 -1.354 + 5274TIP3 OH222130 2.970 -3.395 -0.850 + 5274TIP3 H122131 3.046 -3.453 -0.831 + 5274TIP3 H222132 3.013 -3.310 -0.871 + 5275TIP3 OH222133 3.128 -3.584 -0.729 + 5275TIP3 H122134 3.047 -3.636 -0.752 + 5275TIP3 H222135 3.196 -3.653 -0.731 + 5276TIP3 OH222136 2.911 -3.969 -2.448 + 5276TIP3 H122137 2.968 -4.012 -2.381 + 5276TIP3 H222138 2.827 -4.017 -2.440 + 5277TIP3 OH222139 2.895 -3.836 -1.945 + 5277TIP3 H122140 2.922 -3.929 -1.943 + 5277TIP3 H222141 2.973 -3.795 -1.987 + 5278TIP3 OH222142 2.920 -3.776 -1.407 + 5278TIP3 H122143 3.017 -3.766 -1.407 + 5278TIP3 H222144 2.903 -3.775 -1.311 + 5279TIP3 OH222145 2.933 -3.706 -1.123 + 5279TIP3 H122146 2.850 -3.665 -1.094 + 5279TIP3 H222147 2.989 -3.628 -1.142 + 5280TIP3 OH222148 1.381 -3.836 -0.741 + 5280TIP3 H122149 1.473 -3.859 -0.760 + 5280TIP3 H222150 1.336 -3.922 -0.745 + 5281TIP3 OH222151 3.151 -4.278 -0.543 + 5281TIP3 H122152 3.203 -4.356 -0.564 + 5281TIP3 H222153 3.155 -4.219 -0.622 + 5282TIP3 OH222154 2.943 -4.120 -1.945 + 5282TIP3 H122155 2.939 -4.144 -1.851 + 5282TIP3 H222156 2.865 -4.166 -1.980 + 5283TIP3 OH222157 1.458 -3.991 -1.478 + 5283TIP3 H122158 1.489 -4.083 -1.462 + 5283TIP3 H222159 1.529 -3.939 -1.436 + 5284TIP3 OH222160 1.319 -3.728 -1.369 + 5284TIP3 H122161 1.373 -3.729 -1.448 + 5284TIP3 H222162 1.353 -3.650 -1.323 + 5285TIP3 OH222163 3.130 -4.111 -0.759 + 5285TIP3 H122164 3.044 -4.064 -0.751 + 5285TIP3 H222165 3.120 -4.146 -0.849 + 5286TIP3 OH222166 3.134 -4.065 -2.273 + 5286TIP3 H122167 3.158 -4.144 -2.324 + 5286TIP3 H222168 3.216 -4.013 -2.273 + 5287TIP3 OH222169 1.371 -4.105 -1.969 + 5287TIP3 H122170 1.276 -4.092 -1.983 + 5287TIP3 H222171 1.410 -4.033 -2.024 + 5288TIP3 OH222172 2.827 -2.562 -1.754 + 5288TIP3 H122173 2.879 -2.593 -1.830 + 5288TIP3 H222174 2.897 -2.536 -1.692 + 5289TIP3 OH222175 1.352 -4.128 -1.112 + 5289TIP3 H122176 1.348 -4.222 -1.087 + 5289TIP3 H222177 1.324 -4.131 -1.205 + 5290TIP3 OH222178 1.569 -2.901 -0.682 + 5290TIP3 H122179 1.496 -2.896 -0.745 + 5290TIP3 H222180 1.524 -2.895 -0.597 + 5291TIP3 OH222181 1.854 -2.799 -1.115 + 5291TIP3 H122182 1.822 -2.713 -1.149 + 5291TIP3 H222183 1.950 -2.788 -1.132 + 5292TIP3 OH222184 2.306 -2.671 -0.814 + 5292TIP3 H122185 2.319 -2.683 -0.718 + 5292TIP3 H222186 2.388 -2.622 -0.839 + 5293TIP3 OH222187 2.533 -2.522 -0.889 + 5293TIP3 H122188 2.604 -2.584 -0.912 + 5293TIP3 H222189 2.563 -2.491 -0.801 + 5294TIP3 OH222190 2.993 -4.277 -0.969 + 5294TIP3 H122191 2.944 -4.213 -1.023 + 5294TIP3 H222192 3.004 -4.348 -1.034 + 5295TIP3 OH222193 1.591 -2.506 -1.081 + 5295TIP3 H122194 1.532 -2.443 -1.125 + 5295TIP3 H222195 1.562 -2.495 -0.989 + 5296TIP3 OH222196 1.840 -2.527 -1.227 + 5296TIP3 H122197 1.756 -2.507 -1.182 + 5296TIP3 H222198 1.845 -2.455 -1.294 + 5297TIP3 OH222199 2.316 -2.525 -1.270 + 5297TIP3 H122200 2.278 -2.479 -1.347 + 5297TIP3 H222201 2.325 -2.452 -1.206 + 5298TIP3 OH222202 2.548 -2.657 -1.179 + 5298TIP3 H122203 2.465 -2.615 -1.209 + 5298TIP3 H222204 2.610 -2.582 -1.184 + 5299TIP3 OH222205 2.808 -2.498 -1.177 + 5299TIP3 H122206 2.799 -2.404 -1.200 + 5299TIP3 H222207 2.858 -2.529 -1.255 + 5300TIP3 OH222208 1.550 -2.623 -1.388 + 5300TIP3 H122209 1.546 -2.671 -1.302 + 5300TIP3 H222210 1.627 -2.667 -1.429 + 5301TIP3 OH222211 1.752 -2.749 -1.545 + 5301TIP3 H122212 1.736 -2.840 -1.515 + 5301TIP3 H222213 1.842 -2.732 -1.511 + 5302TIP3 OH222214 2.026 -2.702 -1.454 + 5302TIP3 H122215 2.046 -2.796 -1.474 + 5302TIP3 H222216 2.034 -2.703 -1.357 + 5303TIP3 OH222217 2.359 -4.112 -1.523 + 5303TIP3 H122218 2.294 -4.181 -1.496 + 5303TIP3 H222219 2.414 -4.161 -1.585 + 5304TIP3 OH222220 2.886 -4.334 -1.482 + 5304TIP3 H122221 2.940 -4.283 -1.543 + 5304TIP3 H222222 2.796 -4.309 -1.507 + 5305TIP3 OH222223 3.091 -4.227 -1.712 + 5305TIP3 H122224 3.157 -4.207 -1.778 + 5305TIP3 H222225 3.087 -4.139 -1.668 + 5306TIP3 OH222226 1.594 -4.285 -1.797 + 5306TIP3 H122227 1.501 -4.304 -1.812 + 5306TIP3 H222228 1.627 -4.364 -1.753 + 5307TIP3 OH222229 1.449 -4.291 -2.168 + 5307TIP3 H122230 1.496 -4.243 -2.239 + 5307TIP3 H222231 1.416 -4.217 -2.114 + 5308TIP3 OH222232 2.042 -4.228 -1.769 + 5308TIP3 H122233 2.137 -4.235 -1.784 + 5308TIP3 H222234 2.027 -4.292 -1.698 + 5309TIP3 OH222235 2.607 -4.266 -1.628 + 5309TIP3 H122236 2.624 -4.265 -1.722 + 5309TIP3 H222237 2.583 -4.358 -1.611 + 5310TIP3 OH222238 2.712 -4.274 -2.044 + 5310TIP3 H122239 2.637 -4.211 -2.052 + 5310TIP3 H222240 2.666 -4.359 -2.035 + 5311TIP3 OH222241 1.492 -2.697 -2.066 + 5311TIP3 H122242 1.428 -2.706 -2.138 + 5311TIP3 H222243 1.491 -2.601 -2.054 + 5312TIP3 OH222244 1.642 -4.128 -2.325 + 5312TIP3 H122245 1.714 -4.160 -2.383 + 5312TIP3 H222246 1.694 -4.074 -2.262 + 5313TIP3 OH222247 2.170 -4.060 -2.098 + 5313TIP3 H122248 2.172 -4.144 -2.048 + 5313TIP3 H222249 2.183 -3.992 -2.029 + 5314TIP3 OH222250 2.363 -2.512 -2.253 + 5314TIP3 H122251 2.460 -2.513 -2.255 + 5314TIP3 H222252 2.342 -2.579 -2.320 + 5315TIP3 OH222253 3.017 -2.612 -1.997 + 5315TIP3 H122254 2.989 -2.695 -2.041 + 5315TIP3 H222255 3.004 -2.547 -2.067 + 5316TIP3 OH222256 1.555 -4.179 -0.846 + 5316TIP3 H122257 1.510 -4.258 -0.815 + 5316TIP3 H222258 1.644 -4.216 -0.857 + 5317TIP3 OH222259 1.848 -4.279 -0.582 + 5317TIP3 H122260 1.935 -4.305 -0.619 + 5317TIP3 H222261 1.824 -4.357 -0.531 + 5318TIP3 OH222262 1.637 -2.603 -2.384 + 5318TIP3 H122263 1.614 -2.573 -2.295 + 5318TIP3 H222264 1.716 -2.657 -2.369 + 5319TIP3 OH222265 2.960 -2.737 -0.751 + 5319TIP3 H122266 2.891 -2.754 -0.818 + 5319TIP3 H222267 2.947 -2.641 -0.738 + 5320TIP3 OH222268 4.300 -3.437 -1.432 + 5320TIP3 H122269 4.256 -3.471 -1.352 + 5320TIP3 H222270 4.242 -3.472 -1.502 + 5321TIP3 OH222271 3.521 -3.467 -1.270 + 5321TIP3 H122272 3.514 -3.539 -1.204 + 5321TIP3 H222273 3.583 -3.407 -1.225 + 5322TIP3 OH222274 3.585 -2.997 -1.418 + 5322TIP3 H122275 3.555 -3.087 -1.441 + 5322TIP3 H222276 3.678 -3.014 -1.396 + 5323TIP3 OH222277 3.279 -3.665 -1.880 + 5323TIP3 H122278 3.246 -3.575 -1.866 + 5323TIP3 H222279 3.204 -3.706 -1.923 + 5324TIP3 OH222280 3.361 -3.415 -1.697 + 5324TIP3 H122281 3.376 -3.495 -1.643 + 5324TIP3 H222282 3.446 -3.403 -1.739 + 5325TIP3 OH222283 4.123 -3.179 -1.365 + 5325TIP3 H122284 4.161 -3.230 -1.438 + 5325TIP3 H222285 4.200 -3.133 -1.331 + 5326TIP3 OH222286 3.744 -3.941 -1.617 + 5326TIP3 H122287 3.760 -3.856 -1.661 + 5326TIP3 H222288 3.708 -3.993 -1.692 + 5327TIP3 OH222289 3.413 -3.663 -1.569 + 5327TIP3 H122290 3.472 -3.711 -1.510 + 5327TIP3 H222291 3.422 -3.714 -1.652 + 5328TIP3 OH222292 3.957 -3.530 -1.619 + 5328TIP3 H122293 4.027 -3.590 -1.586 + 5328TIP3 H222294 3.901 -3.592 -1.669 + 5329TIP3 OH222295 3.624 -4.055 -1.202 + 5329TIP3 H122296 3.588 -3.998 -1.273 + 5329TIP3 H222297 3.557 -4.039 -1.133 + 5330TIP3 OH222298 3.915 -3.275 -1.190 + 5330TIP3 H122299 3.841 -3.217 -1.161 + 5330TIP3 H222300 3.977 -3.211 -1.228 + 5331TIP3 OH222301 3.583 -3.855 -1.408 + 5331TIP3 H122302 3.645 -3.794 -1.363 + 5331TIP3 H222303 3.641 -3.890 -1.479 + 5332TIP3 OH222304 3.716 -3.084 -1.117 + 5332TIP3 H122305 3.713 -2.992 -1.149 + 5332TIP3 H222306 3.628 -3.088 -1.074 + 5333TIP3 OH222307 3.347 -3.115 -2.032 + 5333TIP3 H122308 3.326 -3.062 -2.111 + 5333TIP3 H222309 3.366 -3.045 -1.965 + 5334TIP3 OH222310 4.047 4.380 -1.480 + 5334TIP3 H122311 4.048 4.284 -1.464 + 5334TIP3 H222312 3.959 4.408 -1.446 + 5335TIP3 OH222313 4.276 -3.420 -2.022 + 5335TIP3 H122314 4.204 -3.354 -2.034 + 5335TIP3 H222315 4.330 -3.400 -2.098 + 5336TIP3 OH222316 4.286 -3.580 -2.309 + 5336TIP3 H122317 4.366 -3.585 -2.255 + 5336TIP3 H222318 4.292 -3.660 -2.363 + 5337TIP3 OH222319 3.760 -3.339 -1.730 + 5337TIP3 H122320 3.726 -3.380 -1.812 + 5337TIP3 H222321 3.823 -3.404 -1.698 + 5338TIP3 OH222322 3.895 -3.001 -1.454 + 5338TIP3 H122323 3.886 -3.037 -1.543 + 5338TIP3 H222324 3.976 -3.045 -1.422 + 5339TIP3 OH222325 3.820 -3.461 -1.381 + 5339TIP3 H122326 3.875 -3.452 -1.460 + 5339TIP3 H222327 3.852 -3.389 -1.323 + 5340TIP3 OH222328 3.903 -3.023 -0.900 + 5340TIP3 H122329 3.852 -2.957 -0.850 + 5340TIP3 H222330 3.838 -3.048 -0.968 + 5341TIP3 OH222331 3.594 -3.387 -0.986 + 5341TIP3 H122332 3.601 -3.328 -0.909 + 5341TIP3 H222333 3.498 -3.398 -0.993 + 5342TIP3 OH222334 4.249 -2.815 -1.808 + 5342TIP3 H122335 4.299 -2.762 -1.745 + 5342TIP3 H222336 4.199 -2.746 -1.855 + 5343TIP3 OH222337 3.712 -2.807 -0.816 + 5343TIP3 H122338 3.701 -2.802 -0.912 + 5343TIP3 H222339 3.623 -2.832 -0.785 + 5344TIP3 OH222340 3.650 -3.464 -1.976 + 5344TIP3 H122341 3.631 -3.386 -2.032 + 5344TIP3 H222342 3.581 -3.525 -2.005 + 5345TIP3 OH222343 3.260 -3.197 -1.104 + 5345TIP3 H122344 3.212 -3.192 -1.190 + 5345TIP3 H222345 3.267 -3.292 -1.089 + 5346TIP3 OH222346 3.273 -2.927 -1.416 + 5346TIP3 H122347 3.367 -2.924 -1.395 + 5346TIP3 H222348 3.238 -2.847 -1.371 + 5347TIP3 OH222349 4.172 -2.924 -0.950 + 5347TIP3 H122350 4.183 -2.836 -0.911 + 5347TIP3 H222351 4.080 -2.947 -0.926 + 5348TIP3 OH222352 4.185 -2.539 -1.959 + 5348TIP3 H122353 4.206 -2.533 -2.053 + 5348TIP3 H222354 4.207 -2.451 -1.925 + 5349TIP3 OH222355 3.575 -2.628 -1.795 + 5349TIP3 H122356 3.589 -2.669 -1.707 + 5349TIP3 H222357 3.486 -2.660 -1.816 + 5350TIP3 OH222358 3.477 -3.043 -0.980 + 5350TIP3 H122359 3.502 -3.090 -0.898 + 5350TIP3 H222360 3.401 -3.094 -1.013 + 5351TIP3 OH222361 3.793 -4.217 -1.390 + 5351TIP3 H122362 3.706 -4.233 -1.428 + 5351TIP3 H222363 3.776 -4.136 -1.340 + 5352TIP3 OH222364 4.225 -4.300 -1.026 + 5352TIP3 H122365 4.255 -4.324 -0.937 + 5352TIP3 H222366 4.130 -4.285 -1.012 + 5353TIP3 OH222367 4.227 -3.990 -2.307 + 5353TIP3 H122368 4.161 -4.002 -2.237 + 5353TIP3 H222369 4.189 -4.050 -2.374 + 5354TIP3 OH222370 3.781 -3.715 -1.261 + 5354TIP3 H122371 3.719 -3.705 -1.186 + 5354TIP3 H222372 3.785 -3.624 -1.297 + 5355TIP3 OH222373 3.776 -3.708 -1.772 + 5355TIP3 H122374 3.680 -3.713 -1.788 + 5355TIP3 H222375 3.810 -3.726 -1.862 + 5356TIP3 OH222376 4.282 -3.688 -1.964 + 5356TIP3 H122377 4.255 -3.594 -1.959 + 5356TIP3 H222378 4.366 -3.681 -2.010 + 5357TIP3 OH222379 4.248 -3.626 -0.746 + 5357TIP3 H122380 4.193 -3.706 -0.728 + 5357TIP3 H222381 4.336 -3.669 -0.744 + 5358TIP3 OH222382 3.523 -3.700 -1.080 + 5358TIP3 H122383 3.538 -3.666 -0.991 + 5358TIP3 H222384 3.479 -3.785 -1.061 + 5359TIP3 OH222385 3.861 -3.940 -2.420 + 5359TIP3 H122386 3.821 -3.978 -2.340 + 5359TIP3 H222387 3.785 -3.923 -2.476 + 5360TIP3 OH222388 3.195 -3.964 -1.714 + 5360TIP3 H122389 3.249 -3.953 -1.633 + 5360TIP3 H222390 3.262 -3.985 -1.780 + 5361TIP3 OH222391 3.356 -3.913 -2.141 + 5361TIP3 H122392 3.410 -3.863 -2.205 + 5361TIP3 H222393 3.286 -3.848 -2.124 + 5362TIP3 OH222394 4.334 -3.562 -1.162 + 5362TIP3 H122395 4.380 -3.640 -1.202 + 5362TIP3 H222396 4.277 -3.609 -1.099 + 5363TIP3 OH222397 4.049 -3.948 -1.657 + 5363TIP3 H122398 3.955 -3.965 -1.638 + 5363TIP3 H222399 4.093 -3.980 -1.577 + 5364TIP3 OH222400 3.505 -3.830 -1.801 + 5364TIP3 H122401 3.429 -3.795 -1.852 + 5364TIP3 H222402 3.535 -3.906 -1.853 + 5365TIP3 OH222403 3.870 -3.786 -2.033 + 5365TIP3 H122404 3.966 -3.777 -2.037 + 5365TIP3 H222405 3.839 -3.734 -2.109 + 5366TIP3 OH222406 3.724 -3.674 -2.260 + 5366TIP3 H122407 3.663 -3.694 -2.333 + 5366TIP3 H222408 3.805 -3.652 -2.309 + 5367TIP3 OH222409 3.583 -3.197 -0.761 + 5367TIP3 H122410 3.649 -3.187 -0.690 + 5367TIP3 H222411 3.501 -3.196 -0.707 + 5368TIP3 OH222412 4.162 -3.697 -1.516 + 5368TIP3 H122413 4.207 -3.765 -1.570 + 5368TIP3 H222414 4.148 -3.747 -1.434 + 5369TIP3 OH222415 3.667 -4.066 -1.869 + 5369TIP3 H122416 3.626 -4.153 -1.854 + 5369TIP3 H222417 3.753 -4.090 -1.906 + 5370TIP3 OH222418 4.055 -3.843 -1.271 + 5370TIP3 H122419 3.975 -3.789 -1.269 + 5370TIP3 H222420 4.101 -3.815 -1.189 + 5371TIP3 OH222421 4.074 -3.229 -2.069 + 5371TIP3 H122422 3.994 -3.269 -2.108 + 5371TIP3 H222423 4.047 -3.214 -1.975 + 5372TIP3 OH222424 4.221 -3.215 -0.954 + 5372TIP3 H122425 4.186 -3.240 -0.868 + 5372TIP3 H222426 4.210 -3.118 -0.954 + 5373TIP3 OH222427 3.579 -3.272 -1.492 + 5373TIP3 H122428 3.634 -3.282 -1.571 + 5373TIP3 H222429 3.588 -3.359 -1.448 + 5374TIP3 OH222430 4.287 -3.083 -2.174 + 5374TIP3 H122431 4.260 -2.993 -2.147 + 5374TIP3 H222432 4.210 -3.135 -2.142 + 5375TIP3 OH222433 3.307 -3.447 -0.968 + 5375TIP3 H122434 3.319 -3.488 -0.881 + 5375TIP3 H222435 3.242 -3.505 -1.011 + 5376TIP3 OH222436 4.002 -3.490 -0.765 + 5376TIP3 H122437 3.965 -3.525 -0.848 + 5376TIP3 H222438 4.095 -3.519 -0.772 + 5377TIP3 OH222439 3.816 -2.943 -1.769 + 5377TIP3 H122440 3.856 -2.855 -1.778 + 5377TIP3 H222441 3.723 -2.922 -1.786 + 5378TIP3 OH222442 3.416 -3.463 -2.305 + 5378TIP3 H122443 3.473 -3.394 -2.266 + 5378TIP3 H222444 3.328 -3.435 -2.273 + 5379TIP3 OH222445 3.996 -3.175 -1.803 + 5379TIP3 H122446 3.971 -3.082 -1.791 + 5379TIP3 H222447 3.918 -3.220 -1.765 + 5380TIP3 OH222448 4.021 -2.745 -1.167 + 5380TIP3 H122449 4.077 -2.672 -1.201 + 5380TIP3 H222450 4.085 -2.793 -1.113 + 5381TIP3 OH222451 3.860 -2.652 -1.847 + 5381TIP3 H122452 3.764 -2.638 -1.835 + 5381TIP3 H222453 3.896 -2.566 -1.821 + 5382TIP3 OH222454 3.438 -3.964 -1.012 + 5382TIP3 H122455 3.345 -3.944 -1.038 + 5382TIP3 H222456 3.423 -4.047 -0.962 + 5383TIP3 OH222457 3.420 -2.802 -1.162 + 5383TIP3 H122458 3.440 -2.894 -1.146 + 5383TIP3 H222459 3.437 -2.763 -1.076 + 5384TIP3 OH222460 3.993 -2.933 -2.463 + 5384TIP3 H122461 4.029 -3.009 -2.513 + 5384TIP3 H222462 3.957 -2.977 -2.384 + 5385TIP3 OH222463 3.887 -2.990 -2.188 + 5385TIP3 H122464 3.934 -3.037 -2.118 + 5385TIP3 H222465 3.897 -2.897 -2.160 + 5386TIP3 OH222466 3.567 -3.242 -2.151 + 5386TIP3 H122467 3.493 -3.203 -2.100 + 5386TIP3 H222468 3.613 -3.161 -2.180 + 5387TIP3 OH222469 4.330 -3.928 -1.091 + 5387TIP3 H122470 4.401 -3.994 -1.103 + 5387TIP3 H222471 4.273 -3.963 -1.161 + 5388TIP3 OH222472 4.167 -2.826 -2.136 + 5388TIP3 H122473 4.089 -2.773 -2.112 + 5388TIP3 H222474 4.211 -2.766 -2.198 + 5389TIP3 OH222475 4.141 -3.908 -1.912 + 5389TIP3 H122476 4.199 -3.829 -1.921 + 5389TIP3 H222477 4.109 -3.897 -1.819 + 5390TIP3 OH222478 4.153 -3.756 -1.003 + 5390TIP3 H122479 4.180 -3.711 -0.922 + 5390TIP3 H222480 4.222 -3.826 -1.010 + 5391TIP3 OH222481 4.205 -4.173 -1.799 + 5391TIP3 H122482 4.173 -4.084 -1.774 + 5391TIP3 H222483 4.272 -4.152 -1.867 + 5392TIP3 OH222484 3.893 -2.718 -2.130 + 5392TIP3 H122485 3.891 -2.636 -2.184 + 5392TIP3 H222486 3.880 -2.683 -2.040 + 5393TIP3 OH222487 3.766 -4.051 -2.177 + 5393TIP3 H122488 3.767 -3.968 -2.126 + 5393TIP3 H222489 3.857 -4.083 -2.157 + 5394TIP3 OH222490 3.611 -2.962 -2.275 + 5394TIP3 H122491 3.681 -2.909 -2.235 + 5394TIP3 H222492 3.662 -3.010 -2.342 + 5395TIP3 OH222493 3.421 -3.746 -2.361 + 5395TIP3 H122494 3.436 -3.651 -2.341 + 5395TIP3 H222495 3.337 -3.742 -2.409 + 5396TIP3 OH222496 3.455 -4.241 -1.463 + 5396TIP3 H122497 3.487 -4.249 -1.554 + 5396TIP3 H222498 3.451 -4.334 -1.438 + 5397TIP3 OH222499 3.404 -2.899 -1.868 + 5397TIP3 H122500 3.339 -2.845 -1.820 + 5397TIP3 H222501 3.443 -2.834 -1.929 + 5398TIP3 OH222502 3.351 -2.598 -0.744 + 5398TIP3 H122503 3.403 -2.628 -0.668 + 5398TIP3 H222504 3.307 -2.681 -0.772 + 5399TIP3 OH222505 3.818 -2.691 -0.564 + 5399TIP3 H122506 3.883 -2.761 -0.544 + 5399TIP3 H222507 3.790 -2.717 -0.654 + 5400TIP3 OH222508 4.231 -2.768 -2.432 + 5400TIP3 H122509 4.147 -2.819 -2.430 + 5400TIP3 H222510 4.293 -2.841 -2.445 + 5401TIP3 OH222511 3.341 -3.235 -0.631 + 5401TIP3 H122512 3.350 -3.326 -0.666 + 5401TIP3 H222513 3.264 -3.204 -0.681 + 5402TIP3 OH222514 3.762 -3.193 -2.430 + 5402TIP3 H122515 3.780 -3.251 -2.354 + 5402TIP3 H222516 3.848 -3.195 -2.476 + 5403TIP3 OH222517 4.012 -3.213 -0.701 + 5403TIP3 H122518 3.975 -3.181 -0.785 + 5403TIP3 H222519 4.015 -3.310 -0.713 + 5404TIP3 OH222520 4.261 -3.060 -2.474 + 5404TIP3 H122521 4.278 -3.049 -2.379 + 5404TIP3 H222522 4.244 -3.156 -2.479 + 5405TIP3 OH222523 3.428 -3.523 -0.714 + 5405TIP3 H122524 3.501 -3.586 -0.711 + 5405TIP3 H222525 3.421 -3.499 -0.621 + 5406TIP3 OH222526 3.871 -3.387 -2.197 + 5406TIP3 H122527 3.808 -3.437 -2.143 + 5406TIP3 H222528 3.902 -3.455 -2.259 + 5407TIP3 OH222529 3.798 -3.605 -0.967 + 5407TIP3 H122530 3.738 -3.531 -0.949 + 5407TIP3 H222531 3.852 -3.569 -1.040 + 5408TIP3 OH222532 3.978 -3.586 -2.367 + 5408TIP3 H122533 3.969 -3.578 -2.464 + 5408TIP3 H222534 4.074 -3.572 -2.357 + 5409TIP3 OH222535 4.284 -3.359 -0.601 + 5409TIP3 H122536 4.358 -3.391 -0.653 + 5409TIP3 H222537 4.267 -3.439 -0.547 + 5410TIP3 OH222538 3.855 -3.878 -0.856 + 5410TIP3 H122539 3.862 -3.943 -0.927 + 5410TIP3 H222540 3.838 -3.796 -0.905 + 5411TIP3 OH222541 3.892 -4.037 -1.122 + 5411TIP3 H122542 3.939 -3.977 -1.182 + 5411TIP3 H222543 3.798 -4.026 -1.150 + 5412TIP3 OH222544 4.063 -3.489 -1.078 + 5412TIP3 H122545 4.138 -3.491 -1.137 + 5412TIP3 H222546 4.024 -3.401 -1.095 + 5413TIP3 OH222547 3.675 -3.697 -0.677 + 5413TIP3 H122548 3.621 -3.778 -0.676 + 5413TIP3 H222549 3.755 -3.728 -0.722 + 5414TIP3 OH222550 3.941 -4.275 -0.998 + 5414TIP3 H122551 3.944 -4.183 -1.033 + 5414TIP3 H222552 3.850 -4.298 -1.019 + 5415TIP3 OH222553 4.103 -3.852 -0.703 + 5415TIP3 H122554 4.075 -3.889 -0.618 + 5415TIP3 H222555 4.026 -3.875 -0.758 + 5416TIP3 OH222556 3.548 -3.958 -0.691 + 5416TIP3 H122557 3.525 -4.023 -0.760 + 5416TIP3 H222558 3.510 -3.998 -0.612 + 5417TIP3 OH222559 4.054 -4.144 -0.589 + 5417TIP3 H122560 4.032 -4.230 -0.631 + 5417TIP3 H222561 3.967 -4.101 -0.583 + 5418TIP3 OH222562 3.957 -2.465 -2.260 + 5418TIP3 H122563 4.052 -2.455 -2.250 + 5418TIP3 H222564 3.942 -2.412 -2.340 + 5419TIP3 OH222565 3.334 -3.020 -2.308 + 5419TIP3 H122566 3.429 -3.001 -2.293 + 5419TIP3 H222567 3.337 -3.099 -2.365 + 5420TIP3 OH222568 3.237 -2.503 -1.832 + 5420TIP3 H122569 3.161 -2.538 -1.883 + 5420TIP3 H222570 3.246 -2.570 -1.761 + 5421TIP3 OH222571 3.286 -2.704 -1.641 + 5421TIP3 H122572 3.243 -2.785 -1.608 + 5421TIP3 H222573 3.280 -2.652 -1.559 + 5422TIP3 OH222574 3.280 -3.371 -1.395 + 5422TIP3 H122575 3.304 -3.355 -1.487 + 5422TIP3 H222576 3.368 -3.385 -1.355 + 5423TIP3 OH222577 3.266 -3.836 -0.744 + 5423TIP3 H122578 3.359 -3.860 -0.755 + 5423TIP3 H222579 3.223 -3.922 -0.744 + 5424TIP3 OH222580 3.345 -3.995 -1.478 + 5424TIP3 H122581 3.381 -4.085 -1.462 + 5424TIP3 H222582 3.414 -3.940 -1.437 + 5425TIP3 OH222583 3.204 -3.730 -1.374 + 5425TIP3 H122584 3.263 -3.724 -1.450 + 5425TIP3 H222585 3.235 -3.655 -1.320 + 5426TIP3 OH222586 3.239 -4.128 -1.972 + 5426TIP3 H122587 3.148 -4.096 -1.983 + 5426TIP3 H222588 3.290 -4.056 -2.015 + 5427TIP3 OH222589 3.226 -4.127 -1.111 + 5427TIP3 H122590 3.240 -4.220 -1.085 + 5427TIP3 H222591 3.212 -4.136 -1.206 + 5428TIP3 OH222592 3.457 -2.900 -0.679 + 5428TIP3 H122593 3.385 -2.898 -0.744 + 5428TIP3 H222594 3.408 -2.899 -0.596 + 5429TIP3 OH222595 3.742 -2.799 -1.113 + 5429TIP3 H122596 3.705 -2.716 -1.148 + 5429TIP3 H222597 3.837 -2.785 -1.132 + 5430TIP3 OH222598 4.220 -2.637 -0.825 + 5430TIP3 H122599 4.205 -2.672 -0.736 + 5430TIP3 H222600 4.315 -2.614 -0.818 + 5431TIP3 OH222601 3.484 -2.500 -1.075 + 5431TIP3 H122602 3.422 -2.451 -1.132 + 5431TIP3 H222603 3.434 -2.503 -0.993 + 5432TIP3 OH222604 3.732 -2.523 -1.221 + 5432TIP3 H122605 3.644 -2.510 -1.180 + 5432TIP3 H222606 3.729 -2.458 -1.294 + 5433TIP3 OH222607 4.198 -2.549 -1.269 + 5433TIP3 H122608 4.177 -2.500 -1.351 + 5433TIP3 H222609 4.256 -2.488 -1.223 + 5434TIP3 OH222610 3.448 -2.609 -1.376 + 5434TIP3 H122611 3.420 -2.663 -1.300 + 5434TIP3 H222612 3.504 -2.670 -1.426 + 5435TIP3 OH222613 3.635 -2.749 -1.547 + 5435TIP3 H122614 3.617 -2.839 -1.513 + 5435TIP3 H222615 3.722 -2.729 -1.507 + 5436TIP3 OH222616 3.914 -2.697 -1.454 + 5436TIP3 H122617 3.931 -2.791 -1.476 + 5436TIP3 H222618 3.918 -2.699 -1.358 + 5437TIP3 OH222619 4.247 -4.133 -1.520 + 5437TIP3 H122620 4.179 -4.201 -1.500 + 5437TIP3 H222621 4.292 -4.173 -1.595 + 5438TIP3 OH222622 3.483 -4.283 -1.794 + 5438TIP3 H122623 3.392 -4.313 -1.798 + 5438TIP3 H222624 3.530 -4.357 -1.754 + 5439TIP3 OH222625 3.333 -4.300 -2.170 + 5439TIP3 H122626 3.379 -4.248 -2.237 + 5439TIP3 H222627 3.290 -4.230 -2.117 + 5440TIP3 OH222628 3.935 -4.238 -1.784 + 5440TIP3 H122629 4.032 -4.226 -1.778 + 5440TIP3 H222630 3.917 -4.292 -1.706 + 5441TIP3 OH222631 3.384 -2.694 -2.071 + 5441TIP3 H122632 3.314 -2.706 -2.136 + 5441TIP3 H222633 3.374 -2.601 -2.050 + 5442TIP3 OH222634 3.527 -4.129 -2.324 + 5442TIP3 H122635 3.598 -4.161 -2.383 + 5442TIP3 H222636 3.580 -4.074 -2.263 + 5443TIP3 OH222637 4.044 -4.069 -2.101 + 5443TIP3 H122638 4.062 -4.155 -2.059 + 5443TIP3 H222639 4.065 -4.006 -2.029 + 5444TIP3 OH222640 4.264 -2.533 -2.253 + 5444TIP3 H122641 4.351 -2.494 -2.272 + 5444TIP3 H222642 4.249 -2.590 -2.331 + 5445TIP3 OH222643 3.441 -4.177 -0.846 + 5445TIP3 H122644 3.393 -4.255 -0.814 + 5445TIP3 H222645 3.528 -4.218 -0.857 + 5446TIP3 OH222646 3.735 -4.281 -0.580 + 5446TIP3 H122647 3.822 -4.307 -0.618 + 5446TIP3 H222648 3.711 -4.361 -0.532 + 5447TIP3 OH222649 3.524 -2.599 -2.384 + 5447TIP3 H122650 3.499 -2.579 -2.293 + 5447TIP3 H222651 3.600 -2.658 -2.371 + 5448TIP3 OH222652 -3.157 -1.484 -1.749 + 5448TIP3 H122653 -3.158 -1.388 -1.734 + 5448TIP3 H222654 -3.231 -1.494 -1.812 + 5449TIP3 OH222655 -3.261 -1.536 -1.434 + 5449TIP3 H122656 -3.271 -1.592 -1.355 + 5449TIP3 H222657 -3.295 -1.596 -1.503 + 5450TIP3 OH222658 -4.027 -1.580 -1.271 + 5450TIP3 H122659 -4.032 -1.652 -1.206 + 5450TIP3 H222660 -3.960 -1.523 -1.232 + 5451TIP3 OH222661 -2.908 -1.260 -1.599 + 5451TIP3 H122662 -2.939 -1.333 -1.544 + 5451TIP3 H222663 -2.876 -1.198 -1.532 + 5452TIP3 OH222664 -3.959 -1.119 -1.414 + 5452TIP3 H122665 -3.987 -1.207 -1.443 + 5452TIP3 H222666 -3.864 -1.134 -1.403 + 5453TIP3 OH222667 -4.167 -1.676 -1.925 + 5453TIP3 H122668 -4.220 -1.606 -1.883 + 5453TIP3 H222669 -4.226 -1.751 -1.908 + 5454TIP3 OH222670 -4.212 -1.523 -1.683 + 5454TIP3 H122671 -4.186 -1.604 -1.635 + 5454TIP3 H222672 -4.131 -1.499 -1.730 + 5455TIP3 OH222673 -3.200 -0.726 -1.547 + 5455TIP3 H122674 -3.142 -0.798 -1.579 + 5455TIP3 H222675 -3.229 -0.760 -1.461 + 5456TIP3 OH222676 -3.424 -1.288 -1.376 + 5456TIP3 H122677 -3.392 -1.356 -1.438 + 5456TIP3 H222678 -3.342 -1.270 -1.328 + 5457TIP3 OH222679 -2.578 -2.109 -1.329 + 5457TIP3 H122680 -2.542 -2.067 -1.249 + 5457TIP3 H222681 -2.504 -2.093 -1.391 + 5458TIP3 OH222682 -3.092 -1.848 -1.327 + 5458TIP3 H122683 -3.082 -1.945 -1.321 + 5458TIP3 H222684 -3.093 -1.834 -1.423 + 5459TIP3 OH222685 -3.799 -2.052 -1.620 + 5459TIP3 H122686 -3.786 -1.966 -1.665 + 5459TIP3 H222687 -3.835 -2.105 -1.694 + 5460TIP3 OH222688 -3.006 -2.021 -1.787 + 5460TIP3 H122689 -2.951 -2.083 -1.735 + 5460TIP3 H222690 -2.962 -2.020 -1.875 + 5461TIP3 OH222691 -4.138 -1.775 -1.568 + 5461TIP3 H122692 -4.080 -1.819 -1.503 + 5461TIP3 H222693 -4.121 -1.829 -1.647 + 5462TIP3 OH222694 -3.590 -1.642 -1.620 + 5462TIP3 H122695 -3.519 -1.698 -1.584 + 5462TIP3 H222696 -3.642 -1.707 -1.672 + 5463TIP3 OH222697 -2.474 -1.988 -1.071 + 5463TIP3 H122698 -2.544 -1.923 -1.087 + 5463TIP3 H222699 -2.487 -2.011 -0.978 + 5464TIP3 OH222700 -3.919 -2.170 -1.202 + 5464TIP3 H122701 -3.963 -2.126 -1.276 + 5464TIP3 H222702 -3.981 -2.152 -1.129 + 5465TIP3 OH222703 -3.168 -1.196 -1.864 + 5465TIP3 H122704 -3.201 -1.219 -1.952 + 5465TIP3 H222705 -3.215 -1.112 -1.845 + 5466TIP3 OH222706 -3.624 -1.384 -1.190 + 5466TIP3 H122707 -3.698 -1.324 -1.164 + 5466TIP3 H222708 -3.564 -1.323 -1.237 + 5467TIP3 OH222709 -2.828 -2.097 -1.580 + 5467TIP3 H122710 -2.863 -2.171 -1.528 + 5467TIP3 H222711 -2.764 -2.060 -1.516 + 5468TIP3 OH222712 -3.957 -1.966 -1.411 + 5468TIP3 H122713 -3.893 -1.908 -1.366 + 5468TIP3 H222714 -3.900 -2.003 -1.482 + 5469TIP3 OH222715 -3.826 -1.197 -1.113 + 5469TIP3 H122716 -3.829 -1.108 -1.152 + 5469TIP3 H222717 -3.916 -1.202 -1.077 + 5470TIP3 OH222718 -4.186 -1.241 -2.022 + 5470TIP3 H122719 -4.261 -1.219 -2.081 + 5470TIP3 H222720 -4.188 -1.167 -1.959 + 5471TIP3 OH222721 -2.850 -1.078 -1.355 + 5471TIP3 H122722 -2.945 -1.058 -1.357 + 5471TIP3 H222723 -2.811 -0.992 -1.379 + 5472TIP3 OH222724 -2.820 -2.195 -1.199 + 5472TIP3 H122725 -2.898 -2.158 -1.244 + 5472TIP3 H222726 -2.749 -2.175 -1.262 + 5473TIP3 OH222727 -3.506 -2.422 -1.496 + 5473TIP3 H122728 -3.526 -2.517 -1.500 + 5473TIP3 H222729 -3.588 -2.386 -1.457 + 5474TIP3 OH222730 -3.018 -0.889 -1.692 + 5474TIP3 H122731 -2.971 -0.968 -1.726 + 5474TIP3 H222732 -2.951 -0.819 -1.706 + 5475TIP3 OH222733 -2.872 -1.105 -1.837 + 5475TIP3 H122734 -2.930 -1.148 -1.901 + 5475TIP3 H222735 -2.880 -1.165 -1.761 + 5476TIP3 OH222736 -3.283 -1.530 -2.017 + 5476TIP3 H122737 -3.350 -1.469 -2.053 + 5476TIP3 H222738 -3.218 -1.533 -2.090 + 5477TIP3 OH222739 -3.261 -1.697 -2.313 + 5477TIP3 H122740 -3.191 -1.687 -2.247 + 5477TIP3 H222741 -3.228 -1.774 -2.361 + 5478TIP3 OH222742 -2.559 -1.598 -1.195 + 5478TIP3 H122743 -2.621 -1.525 -1.179 + 5478TIP3 H222744 -2.504 -1.561 -1.267 + 5479TIP3 OH222745 -2.922 -1.547 -1.879 + 5479TIP3 H122746 -2.993 -1.500 -1.831 + 5479TIP3 H222747 -2.957 -1.636 -1.880 + 5480TIP3 OH222748 -2.956 -1.679 -1.026 + 5480TIP3 H122749 -2.954 -1.604 -0.963 + 5480TIP3 H222750 -3.024 -1.648 -1.089 + 5481TIP3 OH222751 -3.782 -1.451 -1.730 + 5481TIP3 H122752 -3.817 -1.491 -1.812 + 5481TIP3 H222753 -3.718 -1.518 -1.700 + 5482TIP3 OH222754 -3.650 -1.115 -1.454 + 5482TIP3 H122755 -3.660 -1.146 -1.545 + 5482TIP3 H222756 -3.568 -1.159 -1.426 + 5483TIP3 OH222757 -3.725 -1.572 -1.380 + 5483TIP3 H122758 -3.671 -1.567 -1.461 + 5483TIP3 H222759 -3.687 -1.503 -1.324 + 5484TIP3 OH222760 -3.129 -1.017 -1.324 + 5484TIP3 H122761 -3.134 -0.950 -1.255 + 5484TIP3 H222762 -3.152 -1.100 -1.278 + 5485TIP3 OH222763 -3.639 -1.140 -0.896 + 5485TIP3 H122764 -3.690 -1.067 -0.854 + 5485TIP3 H222765 -3.700 -1.165 -0.968 + 5486TIP3 OH222766 -3.044 -1.609 -2.147 + 5486TIP3 H122767 -2.979 -1.589 -2.078 + 5486TIP3 H222768 -2.997 -1.574 -2.226 + 5487TIP3 OH222769 -3.955 -1.505 -0.982 + 5487TIP3 H122770 -3.949 -1.447 -0.904 + 5487TIP3 H222771 -4.052 -1.508 -0.994 + 5488TIP3 OH222772 -3.302 -0.925 -1.804 + 5488TIP3 H122773 -3.258 -0.891 -1.726 + 5488TIP3 H222774 -3.353 -0.848 -1.836 + 5489TIP3 OH222775 -3.833 -0.931 -0.816 + 5489TIP3 H122776 -3.841 -0.917 -0.913 + 5489TIP3 H222777 -3.926 -0.941 -0.789 + 5490TIP3 OH222778 -2.704 -2.408 -2.205 + 5490TIP3 H122779 -2.790 -2.395 -2.161 + 5490TIP3 H222780 -2.673 -2.316 -2.213 + 5491TIP3 OH222781 -3.891 -1.579 -1.979 + 5491TIP3 H122782 -3.916 -1.502 -2.033 + 5491TIP3 H222783 -3.971 -1.633 -1.985 + 5492TIP3 OH222784 -2.567 -0.994 -2.364 + 5492TIP3 H122785 -2.552 -0.902 -2.336 + 5492TIP3 H222786 -2.482 -1.036 -2.339 + 5493TIP3 OH222787 -4.264 -1.295 -1.124 + 5493TIP3 H122788 -4.286 -1.327 -1.213 + 5493TIP3 H222789 -4.308 -1.363 -1.069 + 5494TIP3 OH222790 -4.284 -1.020 -1.424 + 5494TIP3 H122791 -4.196 -1.057 -1.408 + 5494TIP3 H222792 -4.298 -0.965 -1.347 + 5495TIP3 OH222793 -3.367 -1.041 -0.956 + 5495TIP3 H122794 -3.354 -0.957 -0.907 + 5495TIP3 H222795 -3.459 -1.063 -0.934 + 5496TIP3 OH222796 -3.344 -0.652 -1.955 + 5496TIP3 H122797 -3.351 -0.645 -2.052 + 5496TIP3 H222798 -3.342 -0.559 -1.927 + 5497TIP3 OH222799 -3.957 -0.745 -1.783 + 5497TIP3 H122800 -3.957 -0.791 -1.696 + 5497TIP3 H222801 -4.044 -0.771 -1.818 + 5498TIP3 OH222802 -3.017 -0.708 -2.237 + 5498TIP3 H122803 -2.964 -0.776 -2.282 + 5498TIP3 H222804 -3.025 -0.746 -2.147 + 5499TIP3 OH222805 -3.079 -0.769 -1.959 + 5499TIP3 H122806 -3.174 -0.752 -1.946 + 5499TIP3 H222807 -3.065 -0.839 -1.893 + 5500TIP3 OH222808 -2.770 -1.820 -0.798 + 5500TIP3 H122809 -2.813 -1.784 -0.877 + 5500TIP3 H222810 -2.762 -1.915 -0.822 + 5501TIP3 OH222811 -4.074 -1.155 -0.973 + 5501TIP3 H122812 -4.043 -1.219 -0.906 + 5501TIP3 H222813 -4.148 -1.203 -1.017 + 5502TIP3 OH222814 -3.749 -2.309 -1.402 + 5502TIP3 H122815 -3.830 -2.318 -1.455 + 5502TIP3 H222816 -3.774 -2.235 -1.344 + 5503TIP3 OH222817 -3.311 -2.350 -1.038 + 5503TIP3 H122818 -3.257 -2.403 -0.976 + 5503TIP3 H222819 -3.400 -2.387 -1.025 + 5504TIP3 OH222820 -3.000 -1.972 -0.992 + 5504TIP3 H122821 -3.053 -1.988 -0.912 + 5504TIP3 H222822 -3.000 -1.875 -1.000 + 5505TIP3 OH222823 -2.908 -1.492 -2.361 + 5505TIP3 H122824 -2.922 -1.505 -2.456 + 5505TIP3 H222825 -2.816 -1.462 -2.359 + 5506TIP3 OH222826 -3.310 -2.097 -2.329 + 5506TIP3 H122827 -3.340 -2.104 -2.238 + 5506TIP3 H222828 -3.357 -2.170 -2.372 + 5507TIP3 OH222829 -3.759 -1.829 -1.262 + 5507TIP3 H122830 -3.823 -1.819 -1.189 + 5507TIP3 H222831 -3.755 -1.738 -1.299 + 5508TIP3 OH222832 -3.768 -1.823 -1.774 + 5508TIP3 H122833 -3.864 -1.825 -1.792 + 5508TIP3 H222834 -3.733 -1.839 -1.864 + 5509TIP3 OH222835 -3.169 -1.771 -1.915 + 5509TIP3 H122836 -3.223 -1.694 -1.941 + 5509TIP3 H222837 -3.119 -1.787 -1.997 + 5510TIP3 OH222838 -3.288 -1.741 -0.757 + 5510TIP3 H122839 -3.336 -1.820 -0.725 + 5510TIP3 H222840 -3.198 -1.758 -0.721 + 5511TIP3 OH222841 -3.065 -1.801 -1.633 + 5511TIP3 H122842 -3.125 -1.747 -1.688 + 5511TIP3 H222843 -3.081 -1.889 -1.672 + 5512TIP3 OH222844 -4.022 -1.813 -1.079 + 5512TIP3 H122845 -3.998 -1.777 -0.993 + 5512TIP3 H222846 -4.053 -1.902 -1.054 + 5513TIP3 OH222847 -3.685 -2.054 -2.419 + 5513TIP3 H122848 -3.723 -2.091 -2.336 + 5513TIP3 H222849 -3.764 -2.039 -2.473 + 5514TIP3 OH222850 -4.324 -2.057 -1.708 + 5514TIP3 H122851 -4.305 -2.083 -1.616 + 5514TIP3 H222852 -4.277 -2.124 -1.758 + 5515TIP3 OH222853 -4.213 -1.999 -2.126 + 5515TIP3 H122854 -4.150 -1.976 -2.198 + 5515TIP3 H222855 -4.296 -1.977 -2.168 + 5516TIP3 OH222856 -3.207 -1.658 -1.169 + 5516TIP3 H122857 -3.166 -1.729 -1.222 + 5516TIP3 H222858 -3.246 -1.709 -1.096 + 5517TIP3 OH222859 -3.488 -2.057 -1.668 + 5517TIP3 H122860 -3.583 -2.066 -1.650 + 5517TIP3 H222861 -3.449 -2.089 -1.584 + 5518TIP3 OH222862 -4.040 -1.941 -1.803 + 5518TIP3 H122863 -4.120 -1.928 -1.855 + 5518TIP3 H222864 -4.002 -2.021 -1.845 + 5519TIP3 OH222865 -3.673 -1.909 -2.036 + 5519TIP3 H122866 -3.576 -1.899 -2.029 + 5519TIP3 H222867 -3.697 -1.845 -2.106 + 5520TIP3 OH222868 -3.054 -2.144 -1.369 + 5520TIP3 H122869 -3.118 -2.147 -1.295 + 5520TIP3 H222870 -3.108 -2.184 -1.440 + 5521TIP3 OH222871 -3.823 -1.783 -2.259 + 5521TIP3 H122872 -3.883 -1.812 -2.329 + 5521TIP3 H222873 -3.743 -1.762 -2.309 + 5522TIP3 OH222874 -2.726 -0.567 -0.731 + 5522TIP3 H122875 -2.716 -0.509 -0.808 + 5522TIP3 H222876 -2.656 -0.533 -0.674 + 5523TIP3 OH222877 -3.947 -1.318 -0.752 + 5523TIP3 H122878 -3.894 -1.278 -0.682 + 5523TIP3 H222879 -4.037 -1.306 -0.716 + 5524TIP3 OH222880 -3.368 -1.811 -1.492 + 5524TIP3 H122881 -3.321 -1.877 -1.543 + 5524TIP3 H222882 -3.398 -1.865 -1.415 + 5525TIP3 OH222883 -3.872 -2.173 -1.864 + 5525TIP3 H122884 -3.914 -2.260 -1.861 + 5525TIP3 H222885 -3.791 -2.192 -1.914 + 5526TIP3 OH222886 -3.487 -1.954 -1.274 + 5526TIP3 H122887 -3.569 -1.903 -1.264 + 5526TIP3 H222888 -3.440 -1.938 -1.190 + 5527TIP3 OH222889 -3.472 -1.330 -2.073 + 5527TIP3 H122890 -3.550 -1.377 -2.111 + 5527TIP3 H222891 -3.496 -1.324 -1.978 + 5528TIP3 OH222892 -2.760 -1.395 -1.189 + 5528TIP3 H122893 -2.705 -1.335 -1.244 + 5528TIP3 H222894 -2.835 -1.412 -1.249 + 5529TIP3 OH222895 -3.304 -1.326 -0.947 + 5529TIP3 H122896 -3.336 -1.359 -0.862 + 5529TIP3 H222897 -3.331 -1.232 -0.945 + 5530TIP3 OH222898 -3.969 -1.388 -1.498 + 5530TIP3 H122899 -3.911 -1.399 -1.576 + 5530TIP3 H222900 -3.962 -1.475 -1.455 + 5531TIP3 OH222901 -3.237 -1.187 -2.180 + 5531TIP3 H122902 -3.266 -1.100 -2.143 + 5531TIP3 H222903 -3.312 -1.243 -2.154 + 5532TIP3 OH222904 -4.238 -1.540 -0.937 + 5532TIP3 H122905 -4.232 -1.606 -0.867 + 5532TIP3 H222906 -4.286 -1.589 -1.007 + 5533TIP3 OH222907 -3.540 -1.602 -0.767 + 5533TIP3 H122908 -3.576 -1.632 -0.853 + 5533TIP3 H222909 -3.450 -1.638 -0.774 + 5534TIP3 OH222910 -2.523 -1.861 -2.111 + 5534TIP3 H122911 -2.603 -1.900 -2.151 + 5534TIP3 H222912 -2.533 -1.769 -2.139 + 5535TIP3 OH222913 -2.524 -1.249 -0.860 + 5535TIP3 H122914 -2.596 -1.207 -0.908 + 5535TIP3 H222915 -2.449 -1.223 -0.916 + 5536TIP3 OH222916 -2.724 -1.002 -2.116 + 5536TIP3 H122917 -2.737 -1.074 -2.052 + 5536TIP3 H222918 -2.656 -1.036 -2.175 + 5537TIP3 OH222919 -2.972 -1.491 -1.377 + 5537TIP3 H122920 -3.066 -1.501 -1.403 + 5537TIP3 H222921 -2.935 -1.574 -1.409 + 5538TIP3 OH222922 -3.728 -1.053 -1.761 + 5538TIP3 H122923 -3.687 -0.967 -1.780 + 5538TIP3 H222924 -3.818 -1.038 -1.793 + 5539TIP3 OH222925 -4.159 -1.561 -2.292 + 5539TIP3 H122926 -4.082 -1.510 -2.258 + 5539TIP3 H222927 -4.228 -1.495 -2.279 + 5540TIP3 OH222928 -3.543 -1.288 -1.802 + 5540TIP3 H122929 -3.572 -1.196 -1.790 + 5540TIP3 H222930 -3.618 -1.336 -1.764 + 5541TIP3 OH222931 -3.524 -0.864 -1.165 + 5541TIP3 H122932 -3.472 -0.789 -1.198 + 5541TIP3 H222933 -3.460 -0.907 -1.108 + 5542TIP3 OH222934 -3.681 -0.767 -1.843 + 5542TIP3 H122935 -3.778 -0.755 -1.835 + 5542TIP3 H222936 -3.649 -0.677 -1.824 + 5543TIP3 OH222937 -3.163 -1.287 -1.201 + 5543TIP3 H122938 -3.213 -1.322 -1.125 + 5543TIP3 H222939 -3.104 -1.360 -1.224 + 5544TIP3 OH222940 -2.963 -1.163 -2.319 + 5544TIP3 H122941 -2.928 -1.205 -2.239 + 5544TIP3 H222942 -3.058 -1.173 -2.301 + 5545TIP3 OH222943 -2.909 -0.849 -0.961 + 5545TIP3 H122944 -2.978 -0.864 -1.029 + 5545TIP3 H222945 -2.872 -0.766 -0.994 + 5546TIP3 OH222946 -2.495 -0.729 -2.269 + 5546TIP3 H122947 -2.426 -0.662 -2.289 + 5546TIP3 H222948 -2.571 -0.668 -2.261 + 5547TIP3 OH222949 -4.102 -2.082 -0.998 + 5547TIP3 H122950 -4.186 -2.049 -1.035 + 5547TIP3 H222951 -4.123 -2.170 -0.963 + 5548TIP3 OH222952 -2.870 -1.302 -2.080 + 5548TIP3 H122953 -2.894 -1.372 -2.017 + 5548TIP3 H222954 -2.774 -1.299 -2.070 + 5549TIP3 OH222955 -4.130 -0.913 -1.159 + 5549TIP3 H122956 -4.109 -1.007 -1.152 + 5549TIP3 H222957 -4.093 -0.880 -1.077 + 5550TIP3 OH222958 -3.519 -1.054 -2.439 + 5550TIP3 H122959 -3.526 -1.118 -2.513 + 5550TIP3 H222960 -3.586 -1.089 -2.378 + 5551TIP3 OH222961 -3.660 -1.100 -2.186 + 5551TIP3 H122962 -3.611 -1.151 -2.121 + 5551TIP3 H222963 -3.645 -1.008 -2.158 + 5552TIP3 OH222964 -3.984 -1.360 -2.153 + 5552TIP3 H122965 -4.055 -1.317 -2.099 + 5552TIP3 H222966 -3.940 -1.281 -2.188 + 5553TIP3 OH222967 -3.213 -2.107 -1.149 + 5553TIP3 H122968 -3.148 -2.080 -1.083 + 5553TIP3 H222969 -3.258 -2.183 -1.106 + 5554TIP3 OH222970 -3.164 -2.150 -2.046 + 5554TIP3 H122971 -3.124 -2.097 -2.119 + 5554TIP3 H222972 -3.102 -2.121 -1.978 + 5555TIP3 OH222973 -3.364 -0.935 -2.129 + 5555TIP3 H122974 -3.449 -0.890 -2.115 + 5555TIP3 H222975 -3.329 -0.887 -2.205 + 5556TIP3 OH222976 -3.407 -1.957 -1.929 + 5556TIP3 H122977 -3.320 -1.913 -1.919 + 5556TIP3 H222978 -3.432 -1.975 -1.836 + 5557TIP3 OH222979 -3.368 -1.873 -1.014 + 5557TIP3 H122980 -3.362 -1.823 -0.931 + 5557TIP3 H222981 -3.314 -1.951 -0.992 + 5558TIP3 OH222982 -3.343 -2.261 -1.839 + 5558TIP3 H122983 -3.361 -2.194 -1.772 + 5558TIP3 H222984 -3.273 -2.218 -1.891 + 5559TIP3 OH222985 -3.639 -0.829 -2.132 + 5559TIP3 H122986 -3.655 -0.749 -2.186 + 5559TIP3 H222987 -3.665 -0.797 -2.043 + 5560TIP3 OH222988 -3.774 -2.162 -2.176 + 5560TIP3 H122989 -3.766 -2.081 -2.124 + 5560TIP3 H222990 -3.691 -2.208 -2.151 + 5561TIP3 OH222991 -2.741 -2.070 -0.926 + 5561TIP3 H122992 -2.837 -2.063 -0.942 + 5561TIP3 H222993 -2.714 -2.094 -1.016 + 5562TIP3 OH222994 -3.934 -1.077 -2.274 + 5562TIP3 H122995 -3.859 -1.033 -2.234 + 5562TIP3 H222996 -3.889 -1.124 -2.347 + 5563TIP3 OH222997 -4.119 -1.862 -2.352 + 5563TIP3 H122998 -4.104 -1.767 -2.342 + 5563TIP3 H222999 -4.191 -1.866 -2.416 + 5564TIP3 OH223000 -2.751 -0.802 -1.362 + 5564TIP3 H123001 -2.782 -0.728 -1.418 + 5564TIP3 H223002 -2.662 -0.773 -1.339 + 5565TIP3 OH223003 -4.025 -2.363 -1.489 + 5565TIP3 H123004 -4.058 -2.363 -1.581 + 5565TIP3 H223005 -4.070 -2.441 -1.451 + 5566TIP3 OH223006 -4.141 -0.983 -1.886 + 5566TIP3 H123007 -4.227 -0.939 -1.871 + 5566TIP3 H223008 -4.100 -0.927 -1.952 + 5567TIP3 OH223009 -4.213 -0.720 -0.737 + 5567TIP3 H123010 -4.151 -0.721 -0.663 + 5567TIP3 H223011 -4.219 -0.815 -0.753 + 5568TIP3 OH223012 -3.736 -0.810 -0.566 + 5568TIP3 H123013 -3.661 -0.866 -0.541 + 5568TIP3 H223014 -3.749 -0.835 -0.659 + 5569TIP3 OH223015 -3.310 -0.882 -2.418 + 5569TIP3 H123016 -3.393 -0.936 -2.418 + 5569TIP3 H223017 -3.249 -0.951 -2.446 + 5570TIP3 OH223018 -2.866 -0.894 -2.410 + 5570TIP3 H123019 -2.852 -0.971 -2.352 + 5570TIP3 H223020 -2.779 -0.884 -2.451 + 5571TIP3 OH223021 -4.197 -1.315 -0.678 + 5571TIP3 H123022 -4.191 -1.405 -0.712 + 5571TIP3 H223023 -4.285 -1.287 -0.709 + 5572TIP3 OH223024 -3.784 -1.308 -2.414 + 5572TIP3 H123025 -3.753 -1.375 -2.351 + 5572TIP3 H223026 -3.710 -1.299 -2.475 + 5573TIP3 OH223027 -3.545 -1.331 -0.691 + 5573TIP3 H123028 -3.562 -1.291 -0.778 + 5573TIP3 H223029 -3.528 -1.425 -0.713 + 5574TIP3 OH223030 -3.237 -1.173 -2.474 + 5574TIP3 H123031 -3.265 -1.172 -2.381 + 5574TIP3 H223032 -3.257 -1.267 -2.494 + 5575TIP3 OH223033 -2.972 -1.304 -0.932 + 5575TIP3 H123034 -2.911 -1.296 -1.007 + 5575TIP3 H223035 -3.056 -1.273 -0.968 + 5576TIP3 OH223036 -4.132 -1.640 -0.698 + 5576TIP3 H123037 -4.055 -1.699 -0.709 + 5576TIP3 H223038 -4.128 -1.620 -0.604 + 5577TIP3 OH223039 -3.669 -1.503 -2.191 + 5577TIP3 H123040 -3.735 -1.550 -2.138 + 5577TIP3 H223041 -3.643 -1.571 -2.256 + 5578TIP3 OH223042 -3.750 -1.721 -0.966 + 5578TIP3 H123043 -3.806 -1.642 -0.955 + 5578TIP3 H223044 -3.686 -1.689 -1.033 + 5579TIP3 OH223045 -3.576 -1.699 -2.371 + 5579TIP3 H123046 -3.579 -1.687 -2.468 + 5579TIP3 H223047 -3.480 -1.696 -2.355 + 5580TIP3 OH223048 -3.219 -1.450 -0.612 + 5580TIP3 H123049 -3.130 -1.467 -0.646 + 5580TIP3 H223050 -3.243 -1.538 -0.580 + 5581TIP3 OH223051 -2.636 -1.446 -2.435 + 5581TIP3 H123052 -2.637 -1.492 -2.521 + 5581TIP3 H223053 -2.631 -1.353 -2.462 + 5582TIP3 OH223054 -3.693 -1.994 -0.855 + 5582TIP3 H123055 -3.683 -2.060 -0.927 + 5582TIP3 H223056 -3.710 -1.913 -0.906 + 5583TIP3 OH223057 -3.657 -2.144 -1.111 + 5583TIP3 H123058 -3.605 -2.095 -1.178 + 5583TIP3 H223059 -3.747 -2.143 -1.148 + 5584TIP3 OH223060 -3.501 -1.601 -1.069 + 5584TIP3 H123061 -3.418 -1.610 -1.119 + 5584TIP3 H223062 -3.533 -1.515 -1.102 + 5585TIP3 OH223063 -3.042 -1.807 -0.592 + 5585TIP3 H123064 -3.022 -1.901 -0.580 + 5585TIP3 H223065 -2.951 -1.771 -0.593 + 5586TIP3 OH223066 -2.955 -1.524 -0.758 + 5586TIP3 H123067 -2.968 -1.446 -0.816 + 5586TIP3 H223068 -2.861 -1.545 -0.777 + 5587TIP3 OH223069 -3.876 -1.804 -0.677 + 5587TIP3 H123070 -3.929 -1.886 -0.678 + 5587TIP3 H223071 -3.797 -1.832 -0.725 + 5588TIP3 OH223072 -3.587 -2.413 -1.075 + 5588TIP3 H123073 -3.602 -2.318 -1.092 + 5588TIP3 H223074 -3.656 -2.455 -1.130 + 5589TIP3 OH223075 -3.460 -1.952 -0.695 + 5589TIP3 H123076 -3.490 -1.982 -0.608 + 5589TIP3 H223077 -3.539 -1.974 -0.749 + 5590TIP3 OH223078 -3.204 -2.050 -0.809 + 5590TIP3 H123079 -3.292 -2.051 -0.767 + 5590TIP3 H223080 -3.155 -2.114 -0.753 + 5591TIP3 OH223081 -3.029 -2.202 -0.641 + 5591TIP3 H123082 -3.034 -2.298 -0.624 + 5591TIP3 H223083 -3.037 -2.163 -0.552 + 5592TIP3 OH223084 -4.012 -2.059 -0.694 + 5592TIP3 H123085 -4.015 -2.131 -0.759 + 5592TIP3 H223086 -4.032 -2.106 -0.611 + 5593TIP3 OH223087 -3.600 -2.465 -0.794 + 5593TIP3 H123088 -3.541 -2.542 -0.789 + 5593TIP3 H223089 -3.602 -2.450 -0.891 + 5594TIP3 OH223090 -3.506 -2.277 -0.610 + 5594TIP3 H123091 -3.533 -2.338 -0.682 + 5594TIP3 H223092 -3.579 -2.214 -0.608 + 5595TIP3 OH223093 -3.599 -0.568 -2.257 + 5595TIP3 H123094 -3.503 -0.563 -2.250 + 5595TIP3 H223095 -3.612 -0.538 -2.348 + 5596TIP3 OH223096 -4.208 -1.087 -2.351 + 5596TIP3 H123097 -4.121 -1.082 -2.308 + 5596TIP3 H223098 -4.204 -1.173 -2.396 + 5597TIP3 OH223099 -4.274 -0.810 -1.641 + 5597TIP3 H123100 -4.279 -0.898 -1.599 + 5597TIP3 H223101 -4.243 -0.756 -1.567 + 5598TIP3 OH223102 -2.723 -1.156 -0.601 + 5598TIP3 H123103 -2.774 -1.185 -0.523 + 5598TIP3 H223104 -2.644 -1.115 -0.562 + 5599TIP3 OH223105 -2.583 -1.318 -2.039 + 5599TIP3 H123106 -2.495 -1.282 -2.018 + 5599TIP3 H223107 -2.598 -1.378 -1.963 + 5600TIP3 OH223108 -2.569 -1.540 -1.821 + 5600TIP3 H123109 -2.588 -1.618 -1.768 + 5600TIP3 H223110 -2.488 -1.508 -1.777 + 5601TIP3 OH223111 -2.567 -1.263 -1.349 + 5601TIP3 H123112 -2.499 -1.314 -1.395 + 5601TIP3 H223113 -2.547 -1.172 -1.377 + 5602TIP3 OH223114 -2.711 -1.028 -1.081 + 5602TIP3 H123115 -2.741 -0.937 -1.071 + 5602TIP3 H223116 -2.726 -1.044 -1.175 + 5603TIP3 OH223117 -2.507 -1.561 -2.185 + 5603TIP3 H123118 -2.567 -1.552 -2.261 + 5603TIP3 H223119 -2.530 -1.481 -2.134 + 5604TIP3 OH223120 -2.670 -1.797 -2.377 + 5604TIP3 H123121 -2.650 -1.755 -2.461 + 5604TIP3 H223122 -2.707 -1.883 -2.403 + 5605TIP3 OH223123 -4.256 -1.448 -1.368 + 5605TIP3 H123124 -4.226 -1.429 -1.459 + 5605TIP3 H223125 -4.175 -1.491 -1.331 + 5606TIP3 OH223126 -2.675 -1.487 -0.840 + 5606TIP3 H123127 -2.612 -1.562 -0.837 + 5606TIP3 H223128 -2.614 -1.412 -0.856 + 5607TIP3 OH223129 -2.531 -1.704 -0.739 + 5607TIP3 H123130 -2.607 -1.763 -0.757 + 5607TIP3 H223131 -2.456 -1.766 -0.733 + 5608TIP3 OH223132 -2.731 -2.099 -2.476 + 5608TIP3 H123133 -2.685 -2.119 -2.393 + 5608TIP3 H223134 -2.824 -2.118 -2.454 + 5609TIP3 OH223135 -2.740 -1.852 -1.443 + 5609TIP3 H123136 -2.644 -1.857 -1.421 + 5609TIP3 H223137 -2.776 -1.864 -1.354 + 5610TIP3 OH223138 -2.717 -1.824 -1.122 + 5610TIP3 H123139 -2.803 -1.784 -1.098 + 5610TIP3 H223140 -2.664 -1.746 -1.148 + 5611TIP3 OH223141 -4.284 -1.954 -0.752 + 5611TIP3 H123142 -4.196 -1.994 -0.762 + 5611TIP3 H223143 -4.343 -2.029 -0.742 + 5612TIP3 OH223144 -2.460 -2.406 -0.590 + 5612TIP3 H123145 -2.421 -2.471 -0.651 + 5612TIP3 H223146 -2.461 -2.326 -0.646 + 5613TIP3 OH223147 -2.697 -2.207 -1.928 + 5613TIP3 H123148 -2.709 -2.253 -1.843 + 5613TIP3 H223149 -2.781 -2.223 -1.974 + 5614TIP3 OH223150 -4.195 -2.102 -1.439 + 5614TIP3 H123151 -4.159 -2.191 -1.446 + 5614TIP3 H223152 -4.115 -2.047 -1.426 + 5615TIP3 OH223153 -4.332 -1.837 -1.358 + 5615TIP3 H123154 -4.295 -1.889 -1.431 + 5615TIP3 H223155 -4.317 -1.747 -1.389 + 5616TIP3 OH223156 -2.523 -2.197 -0.765 + 5616TIP3 H123157 -2.611 -2.155 -0.760 + 5616TIP3 H223158 -2.534 -2.250 -0.847 + 5617TIP3 OH223159 -2.517 -2.177 -2.289 + 5617TIP3 H123160 -2.485 -2.261 -2.327 + 5617TIP3 H223161 -2.434 -2.129 -2.273 + 5618TIP3 OH223162 -4.314 -2.227 -2.009 + 5618TIP3 H123163 -4.399 -2.198 -2.046 + 5618TIP3 H223164 -4.256 -2.154 -2.040 + 5619TIP3 OH223165 -2.828 -0.692 -1.751 + 5619TIP3 H123166 -2.784 -0.711 -1.835 + 5619TIP3 H223167 -2.765 -0.632 -1.709 + 5620TIP3 OH223168 -4.291 -2.330 -1.171 + 5620TIP3 H123169 -4.360 -2.339 -1.101 + 5620TIP3 H223170 -4.335 -2.282 -1.243 + 5621TIP3 OH223171 -4.116 -0.984 -0.692 + 5621TIP3 H123172 -4.168 -1.039 -0.752 + 5621TIP3 H223173 -4.145 -1.015 -0.604 + 5622TIP3 OH223174 -3.802 -0.908 -1.109 + 5622TIP3 H123175 -3.833 -0.826 -1.151 + 5622TIP3 H223176 -3.706 -0.902 -1.129 + 5623TIP3 OH223177 -3.351 -0.784 -0.816 + 5623TIP3 H123178 -3.336 -0.799 -0.720 + 5623TIP3 H223179 -3.272 -0.731 -0.840 + 5624TIP3 OH223180 -3.127 -0.637 -0.886 + 5624TIP3 H123181 -3.054 -0.694 -0.915 + 5624TIP3 H223182 -3.091 -0.600 -0.803 + 5625TIP3 OH223183 -2.642 -2.377 -0.967 + 5625TIP3 H123184 -2.721 -2.361 -1.021 + 5625TIP3 H223185 -2.616 -2.466 -1.000 + 5626TIP3 OH223186 -4.069 -0.607 -1.087 + 5626TIP3 H123187 -4.137 -0.558 -1.138 + 5626TIP3 H223188 -4.102 -0.596 -0.997 + 5627TIP3 OH223189 -3.817 -0.639 -1.223 + 5627TIP3 H123190 -3.904 -0.620 -1.183 + 5627TIP3 H223191 -3.815 -0.575 -1.296 + 5628TIP3 OH223192 -3.338 -0.642 -1.269 + 5628TIP3 H123193 -3.378 -0.599 -1.347 + 5628TIP3 H223194 -3.332 -0.566 -1.207 + 5629TIP3 OH223195 -3.099 -0.765 -1.176 + 5629TIP3 H123196 -3.183 -0.729 -1.210 + 5629TIP3 H223197 -3.042 -0.686 -1.177 + 5630TIP3 OH223198 -2.857 -0.598 -1.142 + 5630TIP3 H123199 -2.838 -0.502 -1.146 + 5630TIP3 H223200 -2.814 -0.629 -1.223 + 5631TIP3 OH223201 -4.126 -0.731 -1.389 + 5631TIP3 H123202 -4.133 -0.778 -1.303 + 5631TIP3 H223203 -4.051 -0.779 -1.430 + 5632TIP3 OH223204 -3.913 -0.859 -1.527 + 5632TIP3 H123205 -3.925 -0.954 -1.506 + 5632TIP3 H223206 -3.819 -0.844 -1.505 + 5633TIP3 OH223207 -3.627 -0.814 -1.454 + 5633TIP3 H123208 -3.611 -0.907 -1.478 + 5633TIP3 H223209 -3.626 -0.820 -1.357 + 5634TIP3 OH223210 -3.299 -2.226 -1.527 + 5634TIP3 H123211 -3.366 -2.295 -1.510 + 5634TIP3 H223212 -3.236 -2.273 -1.583 + 5635TIP3 OH223213 -2.804 -2.414 -1.473 + 5635TIP3 H123214 -2.723 -2.383 -1.517 + 5635TIP3 H223215 -2.873 -2.397 -1.538 + 5636TIP3 OH223216 -2.591 -2.315 -1.679 + 5636TIP3 H123217 -2.525 -2.358 -1.737 + 5636TIP3 H223218 -2.560 -2.223 -1.680 + 5637TIP3 OH223219 -4.108 -2.369 -1.768 + 5637TIP3 H123220 -4.180 -2.397 -1.826 + 5637TIP3 H223221 -4.045 -2.443 -1.781 + 5638TIP3 OH223222 -4.182 -2.409 -2.189 + 5638TIP3 H123223 -4.130 -2.342 -2.238 + 5638TIP3 H223224 -4.233 -2.352 -2.128 + 5639TIP3 OH223225 -3.615 -2.373 -1.778 + 5639TIP3 H123226 -3.525 -2.343 -1.797 + 5639TIP3 H223227 -3.613 -2.383 -1.682 + 5640TIP3 OH223228 -3.058 -2.365 -1.643 + 5640TIP3 H123229 -3.027 -2.385 -1.732 + 5640TIP3 H223230 -3.091 -2.453 -1.615 + 5641TIP3 OH223231 -2.948 -2.362 -2.028 + 5641TIP3 H123232 -3.023 -2.313 -2.065 + 5641TIP3 H223233 -2.982 -2.453 -2.026 + 5642TIP3 OH223234 -4.006 -2.220 -2.334 + 5642TIP3 H123235 -3.947 -2.278 -2.386 + 5642TIP3 H223236 -3.944 -2.190 -2.265 + 5643TIP3 OH223237 -3.507 -2.207 -2.074 + 5643TIP3 H123238 -3.463 -2.263 -2.008 + 5643TIP3 H223239 -3.477 -2.119 -2.046 + 5644TIP3 OH223240 -3.294 -0.628 -2.253 + 5644TIP3 H123241 -3.197 -0.627 -2.255 + 5644TIP3 H223242 -3.312 -0.694 -2.322 + 5645TIP3 OH223243 -2.642 -0.720 -1.990 + 5645TIP3 H123244 -2.665 -0.803 -2.037 + 5645TIP3 H223245 -2.646 -0.655 -2.063 + 5646TIP3 OH223246 -4.079 -2.330 -0.817 + 5646TIP3 H123247 -4.124 -2.406 -0.777 + 5646TIP3 H223248 -3.987 -2.345 -0.788 + 5647TIP3 OH223249 -3.843 -2.392 -0.641 + 5647TIP3 H123250 -3.761 -2.428 -0.682 + 5647TIP3 H223251 -3.877 -2.471 -0.596 + 5648TIP3 OH223252 -4.011 -0.708 -2.402 + 5648TIP3 H123253 -4.045 -0.692 -2.311 + 5648TIP3 H223254 -3.946 -0.777 -2.384 + 5649TIP3 OH223255 -3.030 -2.482 -0.623 + 5649TIP3 H123256 -3.026 -2.525 -0.536 + 5649TIP3 H223257 -2.937 -2.487 -0.651 + 5650TIP3 OH223258 -2.680 -0.861 -0.756 + 5650TIP3 H123259 -2.715 -0.858 -0.845 + 5650TIP3 H223260 -2.657 -0.768 -0.742 + 5651TIP3 OH223261 -1.257 -1.477 -1.755 + 5651TIP3 H123262 -1.275 -1.388 -1.722 + 5651TIP3 H223263 -1.346 -1.503 -1.784 + 5652TIP3 OH223264 -2.138 -1.588 -1.269 + 5652TIP3 H123265 -2.140 -1.659 -1.203 + 5652TIP3 H223266 -2.070 -1.530 -1.232 + 5653TIP3 OH223267 -2.049 -1.118 -1.411 + 5653TIP3 H123268 -2.083 -1.207 -1.431 + 5653TIP3 H223269 -1.962 -1.140 -1.375 + 5654TIP3 OH223270 -2.389 -1.780 -1.873 + 5654TIP3 H123271 -2.412 -1.688 -1.885 + 5654TIP3 H223272 -2.445 -1.825 -1.939 + 5655TIP3 OH223273 -2.311 -1.530 -1.707 + 5655TIP3 H123274 -2.293 -1.607 -1.650 + 5655TIP3 H223275 -2.223 -1.508 -1.738 + 5656TIP3 OH223276 -1.190 -1.849 -1.327 + 5656TIP3 H123277 -1.196 -1.946 -1.326 + 5656TIP3 H223278 -1.210 -1.826 -1.419 + 5657TIP3 OH223279 -1.911 -2.052 -1.619 + 5657TIP3 H123280 -1.900 -1.966 -1.664 + 5657TIP3 H223281 -1.948 -2.104 -1.692 + 5658TIP3 OH223282 -1.101 -2.066 -1.795 + 5658TIP3 H123283 -1.065 -2.059 -1.705 + 5658TIP3 H223284 -1.079 -1.980 -1.832 + 5659TIP3 OH223285 -2.246 -1.779 -1.566 + 5659TIP3 H123286 -2.181 -1.824 -1.509 + 5659TIP3 H223287 -2.234 -1.828 -1.650 + 5660TIP3 OH223288 -1.712 -1.641 -1.610 + 5660TIP3 H123289 -1.636 -1.690 -1.571 + 5660TIP3 H223290 -1.758 -1.712 -1.659 + 5661TIP3 OH223291 -2.047 -2.164 -1.181 + 5661TIP3 H123292 -2.082 -2.114 -1.256 + 5661TIP3 H223293 -2.115 -2.150 -1.115 + 5662TIP3 OH223294 -1.275 -1.187 -1.863 + 5662TIP3 H123295 -1.318 -1.221 -1.942 + 5662TIP3 H223296 -1.331 -1.110 -1.842 + 5663TIP3 OH223297 -0.929 -2.129 -1.567 + 5663TIP3 H123298 -0.986 -2.153 -1.492 + 5663TIP3 H223299 -0.882 -2.054 -1.527 + 5664TIP3 OH223300 -2.073 -1.968 -1.407 + 5664TIP3 H123301 -2.009 -1.910 -1.360 + 5664TIP3 H223302 -2.014 -2.006 -1.476 + 5665TIP3 OH223303 -2.313 -1.221 -2.025 + 5665TIP3 H123304 -2.329 -1.173 -2.108 + 5665TIP3 H223305 -2.290 -1.149 -1.962 + 5666TIP3 OH223306 -1.622 -2.419 -1.495 + 5666TIP3 H123307 -1.643 -2.514 -1.496 + 5666TIP3 H223308 -1.703 -2.382 -1.454 + 5667TIP3 OH223309 -1.161 -0.881 -1.710 + 5667TIP3 H123310 -1.094 -0.951 -1.713 + 5667TIP3 H223311 -1.106 -0.805 -1.685 + 5668TIP3 OH223312 -0.978 -1.111 -1.824 + 5668TIP3 H123313 -1.042 -1.140 -1.892 + 5668TIP3 H223314 -1.014 -1.150 -1.745 + 5669TIP3 OH223315 -1.412 -1.535 -2.016 + 5669TIP3 H123316 -1.477 -1.470 -2.048 + 5669TIP3 H223317 -1.341 -1.525 -2.082 + 5670TIP3 OH223318 -1.380 -1.711 -2.309 + 5670TIP3 H123319 -1.311 -1.679 -2.249 + 5670TIP3 H223320 -1.328 -1.767 -2.369 + 5671TIP3 OH223321 -1.044 -1.549 -1.909 + 5671TIP3 H123322 -1.119 -1.514 -1.854 + 5671TIP3 H223323 -1.014 -1.621 -1.853 + 5672TIP3 OH223324 -1.900 -1.454 -1.731 + 5672TIP3 H123325 -1.928 -1.500 -1.812 + 5672TIP3 H223326 -1.835 -1.516 -1.693 + 5673TIP3 OH223327 -1.834 -1.535 -1.370 + 5673TIP3 H123328 -1.778 -1.554 -1.446 + 5673TIP3 H223329 -1.770 -1.505 -1.304 + 5674TIP3 OH223330 -1.159 -1.590 -2.160 + 5674TIP3 H123331 -1.110 -1.563 -2.080 + 5674TIP3 H223332 -1.112 -1.537 -2.229 + 5675TIP3 OH223333 -2.057 -1.498 -0.989 + 5675TIP3 H123334 -2.053 -1.444 -0.907 + 5675TIP3 H223335 -2.153 -1.507 -0.997 + 5676TIP3 OH223336 -1.433 -0.926 -1.792 + 5676TIP3 H123337 -1.356 -0.897 -1.740 + 5676TIP3 H223338 -1.469 -0.842 -1.826 + 5677TIP3 OH223339 -0.831 -2.405 -2.186 + 5677TIP3 H123340 -0.925 -2.388 -2.170 + 5677TIP3 H223341 -0.794 -2.318 -2.207 + 5678TIP3 OH223342 -2.005 -1.579 -1.978 + 5678TIP3 H123343 -2.027 -1.502 -2.033 + 5678TIP3 H223344 -2.071 -1.643 -2.005 + 5679TIP3 OH223345 -0.677 -0.997 -2.350 + 5679TIP3 H123346 -0.663 -0.903 -2.329 + 5679TIP3 H223347 -0.588 -1.034 -2.335 + 5680TIP3 OH223348 -2.375 -1.295 -1.112 + 5680TIP3 H123349 -2.436 -1.306 -1.186 + 5680TIP3 H223350 -2.366 -1.384 -1.075 + 5681TIP3 OH223351 -2.393 -1.016 -1.405 + 5681TIP3 H123352 -2.301 -1.047 -1.396 + 5681TIP3 H223353 -2.398 -0.952 -1.333 + 5682TIP3 OH223354 -1.460 -0.622 -1.947 + 5682TIP3 H123355 -1.463 -0.635 -2.043 + 5682TIP3 H223356 -1.439 -0.529 -1.940 + 5683TIP3 OH223357 -2.075 -0.731 -1.796 + 5683TIP3 H123358 -2.074 -0.758 -1.703 + 5683TIP3 H223359 -2.168 -0.741 -1.820 + 5684TIP3 OH223360 -1.138 -0.711 -2.243 + 5684TIP3 H123361 -1.076 -0.775 -2.282 + 5684TIP3 H223362 -1.141 -0.742 -2.149 + 5685TIP3 OH223363 -1.196 -0.769 -1.966 + 5685TIP3 H123364 -1.285 -0.742 -1.940 + 5685TIP3 H223365 -1.171 -0.826 -1.890 + 5686TIP3 OH223366 -1.865 -2.299 -1.396 + 5686TIP3 H123367 -1.948 -2.309 -1.446 + 5686TIP3 H223368 -1.890 -2.228 -1.335 + 5687TIP3 OH223369 -1.416 -2.366 -1.042 + 5687TIP3 H123370 -1.366 -2.408 -0.969 + 5687TIP3 H223371 -1.509 -2.383 -1.015 + 5688TIP3 OH223372 -1.007 -1.480 -2.359 + 5688TIP3 H123373 -1.029 -1.494 -2.453 + 5688TIP3 H223374 -0.914 -1.452 -2.366 + 5689TIP3 OH223375 -1.443 -2.101 -2.308 + 5689TIP3 H123376 -1.497 -2.115 -2.229 + 5689TIP3 H223377 -1.483 -2.166 -2.368 + 5690TIP3 OH223378 -1.879 -1.826 -1.262 + 5690TIP3 H123379 -1.929 -1.822 -1.178 + 5690TIP3 H223380 -1.872 -1.731 -1.286 + 5691TIP3 OH223381 -1.881 -1.822 -1.774 + 5691TIP3 H123382 -1.977 -1.831 -1.789 + 5691TIP3 H223383 -1.847 -1.842 -1.864 + 5692TIP3 OH223384 -1.322 -1.768 -1.896 + 5692TIP3 H123385 -1.366 -1.686 -1.927 + 5692TIP3 H223386 -1.253 -1.779 -1.963 + 5693TIP3 OH223387 -1.220 -1.806 -1.612 + 5693TIP3 H123388 -1.249 -1.742 -1.679 + 5693TIP3 H223389 -1.217 -1.887 -1.663 + 5694TIP3 OH223390 -2.143 -1.831 -1.076 + 5694TIP3 H123391 -2.115 -1.797 -0.990 + 5694TIP3 H223392 -2.204 -1.902 -1.051 + 5695TIP3 OH223393 -1.800 -2.053 -2.422 + 5695TIP3 H123394 -1.836 -2.088 -2.338 + 5695TIP3 H223395 -1.881 -2.042 -2.475 + 5696TIP3 OH223396 -2.459 -2.061 -1.710 + 5696TIP3 H123397 -2.395 -2.070 -1.637 + 5696TIP3 H223398 -2.414 -2.101 -1.785 + 5697TIP3 OH223399 -2.299 -2.022 -2.142 + 5697TIP3 H123400 -2.246 -1.972 -2.208 + 5697TIP3 H223401 -2.373 -1.960 -2.126 + 5698TIP3 OH223402 -1.346 -1.669 -1.140 + 5698TIP3 H123403 -1.274 -1.695 -1.200 + 5698TIP3 H223404 -1.351 -1.745 -1.080 + 5699TIP3 OH223405 -1.602 -2.065 -1.668 + 5699TIP3 H123406 -1.698 -2.064 -1.649 + 5699TIP3 H223407 -1.566 -2.078 -1.579 + 5700TIP3 OH223408 -2.146 -1.937 -1.806 + 5700TIP3 H123409 -2.232 -1.917 -1.847 + 5700TIP3 H223410 -2.119 -2.019 -1.852 + 5701TIP3 OH223411 -1.782 -1.908 -2.037 + 5701TIP3 H123412 -1.686 -1.892 -2.034 + 5701TIP3 H223413 -1.813 -1.848 -2.108 + 5702TIP3 OH223414 -1.161 -2.167 -1.366 + 5702TIP3 H123415 -1.206 -2.150 -1.280 + 5702TIP3 H223416 -1.239 -2.189 -1.421 + 5703TIP3 OH223417 -1.939 -1.782 -2.257 + 5703TIP3 H123418 -2.000 -1.812 -2.327 + 5703TIP3 H223419 -1.859 -1.763 -2.308 + 5704TIP3 OH223420 -2.066 -1.347 -0.750 + 5704TIP3 H123421 -2.003 -1.329 -0.677 + 5704TIP3 H223422 -2.147 -1.313 -0.710 + 5705TIP3 OH223423 -1.506 -1.804 -1.491 + 5705TIP3 H123424 -1.429 -1.846 -1.531 + 5705TIP3 H223425 -1.509 -1.847 -1.403 + 5706TIP3 OH223426 -1.974 -2.167 -1.874 + 5706TIP3 H123427 -2.033 -2.244 -1.857 + 5706TIP3 H223428 -1.894 -2.210 -1.907 + 5707TIP3 OH223429 -1.592 -1.952 -1.256 + 5707TIP3 H123430 -1.673 -1.898 -1.251 + 5707TIP3 H223431 -1.545 -1.931 -1.175 + 5708TIP3 OH223432 -1.590 -1.326 -2.076 + 5708TIP3 H123433 -1.667 -1.375 -2.111 + 5708TIP3 H223434 -1.613 -1.316 -1.980 + 5709TIP3 OH223435 -1.176 -2.036 -2.297 + 5709TIP3 H123436 -1.274 -2.041 -2.299 + 5709TIP3 H223437 -1.158 -1.967 -2.231 + 5710TIP3 OH223438 -1.096 -1.859 -2.082 + 5710TIP3 H123439 -1.004 -1.867 -2.051 + 5710TIP3 H223440 -1.096 -1.772 -2.127 + 5711TIP3 OH223441 -2.088 -1.394 -1.499 + 5711TIP3 H123442 -2.022 -1.397 -1.570 + 5711TIP3 H223443 -2.066 -1.473 -1.448 + 5712TIP3 OH223444 -1.353 -1.187 -2.184 + 5712TIP3 H123445 -1.375 -1.102 -2.142 + 5712TIP3 H223446 -1.428 -1.242 -2.154 + 5713TIP3 OH223447 -2.353 -1.560 -0.965 + 5713TIP3 H123448 -2.334 -1.601 -0.878 + 5713TIP3 H223449 -2.415 -1.623 -1.005 + 5714TIP3 OH223450 -0.650 -1.858 -2.102 + 5714TIP3 H123451 -0.698 -1.867 -2.186 + 5714TIP3 H223452 -0.626 -1.764 -2.107 + 5715TIP3 OH223453 -0.824 -0.979 -2.089 + 5715TIP3 H123454 -0.851 -1.059 -2.040 + 5715TIP3 H223455 -0.778 -1.015 -2.166 + 5716TIP3 OH223456 -1.836 -1.055 -1.762 + 5716TIP3 H123457 -1.795 -0.968 -1.767 + 5716TIP3 H223458 -1.929 -1.034 -1.776 + 5717TIP3 OH223459 -2.245 -1.569 -2.313 + 5717TIP3 H123460 -2.187 -1.505 -2.269 + 5717TIP3 H223461 -2.331 -1.550 -2.270 + 5718TIP3 OH223462 -1.659 -1.285 -1.812 + 5718TIP3 H123463 -1.686 -1.195 -1.786 + 5718TIP3 H223464 -1.724 -1.336 -1.761 + 5719TIP3 OH223465 -1.806 -0.749 -1.849 + 5719TIP3 H123466 -1.903 -0.739 -1.835 + 5719TIP3 H223467 -1.771 -0.673 -1.801 + 5720TIP3 OH223468 -1.080 -1.158 -2.318 + 5720TIP3 H123469 -1.040 -1.203 -2.241 + 5720TIP3 H223470 -1.174 -1.170 -2.295 + 5721TIP3 OH223471 -0.604 -0.728 -2.266 + 5721TIP3 H123472 -0.549 -0.660 -2.307 + 5721TIP3 H223473 -0.684 -0.676 -2.250 + 5722TIP3 OH223474 -0.978 -1.291 -2.078 + 5722TIP3 H123475 -1.010 -1.365 -2.024 + 5722TIP3 H223476 -0.882 -1.295 -2.061 + 5723TIP3 OH223477 -1.659 -1.051 -2.464 + 5723TIP3 H123478 -1.630 -1.131 -2.511 + 5723TIP3 H223479 -1.701 -1.090 -2.385 + 5724TIP3 OH223480 -1.773 -1.098 -2.193 + 5724TIP3 H123481 -1.726 -1.151 -2.127 + 5724TIP3 H223482 -1.760 -1.007 -2.158 + 5725TIP3 OH223483 -2.095 -1.354 -2.154 + 5725TIP3 H123484 -2.164 -1.315 -2.097 + 5725TIP3 H223485 -2.045 -1.275 -2.179 + 5726TIP3 OH223486 -1.304 -2.086 -1.126 + 5726TIP3 H123487 -1.260 -2.068 -1.042 + 5726TIP3 H223488 -1.372 -2.151 -1.098 + 5727TIP3 OH223489 -1.240 -2.183 -2.019 + 5727TIP3 H123490 -1.241 -2.133 -2.102 + 5727TIP3 H223491 -1.204 -2.119 -1.955 + 5728TIP3 OH223492 -1.480 -0.931 -2.124 + 5728TIP3 H123493 -1.565 -0.886 -2.112 + 5728TIP3 H223494 -1.444 -0.886 -2.201 + 5729TIP3 OH223495 -1.508 -1.975 -1.926 + 5729TIP3 H123496 -1.442 -1.903 -1.914 + 5729TIP3 H223497 -1.547 -1.982 -1.837 + 5730TIP3 OH223498 -1.447 -2.264 -1.823 + 5730TIP3 H123499 -1.481 -2.189 -1.771 + 5730TIP3 H223500 -1.387 -2.220 -1.886 + 5731TIP3 OH223501 -1.757 -0.827 -2.125 + 5731TIP3 H123502 -1.768 -0.746 -2.178 + 5731TIP3 H223503 -1.779 -0.795 -2.035 + 5732TIP3 OH223504 -1.887 -2.161 -2.185 + 5732TIP3 H123505 -1.888 -2.089 -2.120 + 5732TIP3 H223506 -1.808 -2.212 -2.157 + 5733TIP3 OH223507 -2.049 -1.074 -2.277 + 5733TIP3 H123508 -1.977 -1.024 -2.235 + 5733TIP3 H223509 -1.997 -1.125 -2.342 + 5734TIP3 OH223510 -2.232 -1.855 -2.366 + 5734TIP3 H123511 -2.223 -1.760 -2.343 + 5734TIP3 H223512 -2.322 -1.859 -2.401 + 5735TIP3 OH223513 -2.139 -2.352 -1.485 + 5735TIP3 H123514 -2.160 -2.357 -1.580 + 5735TIP3 H223515 -2.172 -2.438 -1.451 + 5736TIP3 OH223516 -2.247 -1.001 -1.862 + 5736TIP3 H123517 -2.317 -0.946 -1.826 + 5736TIP3 H223518 -2.203 -0.940 -1.923 + 5737TIP3 OH223519 -1.438 -0.881 -2.412 + 5737TIP3 H123520 -1.513 -0.942 -2.422 + 5737TIP3 H223521 -1.366 -0.935 -2.449 + 5738TIP3 OH223522 -0.974 -0.893 -2.404 + 5738TIP3 H123523 -0.959 -0.975 -2.354 + 5738TIP3 H223524 -0.893 -0.886 -2.458 + 5739TIP3 OH223525 -2.345 -1.317 -0.613 + 5739TIP3 H123526 -2.322 -1.406 -0.643 + 5739TIP3 H223527 -2.397 -1.281 -0.685 + 5740TIP3 OH223528 -1.895 -1.308 -2.430 + 5740TIP3 H123529 -1.879 -1.367 -2.354 + 5740TIP3 H223530 -1.808 -1.311 -2.474 + 5741TIP3 OH223531 -1.370 -1.174 -2.468 + 5741TIP3 H123532 -1.375 -1.178 -2.371 + 5741TIP3 H223533 -1.376 -1.270 -2.489 + 5742TIP3 OH223534 -2.233 -1.651 -0.710 + 5742TIP3 H123535 -2.187 -1.735 -0.697 + 5742TIP3 H223536 -2.231 -1.617 -0.618 + 5743TIP3 OH223537 -1.787 -1.498 -2.197 + 5743TIP3 H123538 -1.847 -1.549 -2.139 + 5743TIP3 H223539 -1.757 -1.568 -2.259 + 5744TIP3 OH223540 -1.865 -1.707 -0.970 + 5744TIP3 H123541 -1.916 -1.626 -0.956 + 5744TIP3 H223542 -1.789 -1.675 -1.021 + 5745TIP3 OH223543 -1.690 -1.698 -2.369 + 5745TIP3 H123544 -1.695 -1.691 -2.466 + 5745TIP3 H223545 -1.594 -1.701 -2.355 + 5746TIP3 OH223546 -0.739 -1.445 -2.439 + 5746TIP3 H123547 -0.749 -1.488 -2.525 + 5746TIP3 H223548 -0.751 -1.350 -2.464 + 5747TIP3 OH223549 -1.772 -2.146 -1.086 + 5747TIP3 H123550 -1.727 -2.085 -1.146 + 5747TIP3 H223551 -1.866 -2.136 -1.110 + 5748TIP3 OH223552 -1.617 -1.573 -1.134 + 5748TIP3 H123553 -1.524 -1.601 -1.141 + 5748TIP3 H223554 -1.606 -1.485 -1.098 + 5749TIP3 OH223555 -1.695 -2.407 -1.040 + 5749TIP3 H123556 -1.722 -2.313 -1.048 + 5749TIP3 H223557 -1.764 -2.452 -1.092 + 5750TIP3 OH223558 -1.712 -0.564 -2.256 + 5750TIP3 H123559 -1.616 -0.562 -2.249 + 5750TIP3 H223560 -1.726 -0.526 -2.344 + 5751TIP3 OH223561 -2.325 -1.137 -2.308 + 5751TIP3 H123562 -2.230 -1.118 -2.293 + 5751TIP3 H223563 -2.322 -1.213 -2.368 + 5752TIP3 OH223564 -2.424 -0.606 -1.839 + 5752TIP3 H123565 -2.490 -0.654 -1.892 + 5752TIP3 H223566 -2.398 -0.672 -1.772 + 5753TIP3 OH223567 -2.387 -0.808 -1.625 + 5753TIP3 H123568 -2.409 -0.896 -1.592 + 5753TIP3 H223569 -2.348 -0.770 -1.544 + 5754TIP3 OH223570 -0.698 -1.332 -2.023 + 5754TIP3 H123571 -0.611 -1.291 -2.010 + 5754TIP3 H223572 -0.697 -1.401 -1.954 + 5755TIP3 OH223573 -0.656 -1.532 -1.836 + 5755TIP3 H123574 -0.709 -1.602 -1.799 + 5755TIP3 H223575 -0.582 -1.523 -1.775 + 5756TIP3 OH223576 -0.619 -1.563 -2.194 + 5756TIP3 H123577 -0.672 -1.535 -2.271 + 5756TIP3 H223578 -0.638 -1.491 -2.132 + 5757TIP3 OH223579 -0.797 -1.814 -2.356 + 5757TIP3 H123580 -0.774 -1.753 -2.428 + 5757TIP3 H223581 -0.822 -1.895 -2.405 + 5758TIP3 OH223582 -2.377 -1.482 -1.394 + 5758TIP3 H123583 -2.346 -1.471 -1.486 + 5758TIP3 H223584 -2.292 -1.501 -1.350 + 5759TIP3 OH223585 -0.856 -2.077 -2.440 + 5759TIP3 H123586 -0.796 -2.129 -2.385 + 5759TIP3 H223587 -0.935 -2.132 -2.450 + 5760TIP3 OH223588 -0.862 -1.937 -1.923 + 5760TIP3 H123589 -0.847 -2.029 -1.943 + 5760TIP3 H223590 -0.779 -1.896 -1.954 + 5761TIP3 OH223591 -2.348 -1.951 -0.756 + 5761TIP3 H123592 -2.264 -1.988 -0.730 + 5761TIP3 H223593 -2.406 -2.029 -0.753 + 5762TIP3 OH223594 -2.312 -2.109 -1.469 + 5762TIP3 H123595 -2.269 -2.196 -1.461 + 5762TIP3 H223596 -2.241 -2.051 -1.435 + 5763TIP3 OH223597 -2.462 -1.831 -1.378 + 5763TIP3 H123598 -2.393 -1.847 -1.444 + 5763TIP3 H223599 -2.421 -1.760 -1.326 + 5764TIP3 OH223600 -0.642 -2.188 -2.280 + 5764TIP3 H123601 -0.601 -2.263 -2.325 + 5764TIP3 H223602 -0.564 -2.133 -2.258 + 5765TIP3 OH223603 -2.412 -2.211 -1.968 + 5765TIP3 H123604 -2.509 -2.195 -1.975 + 5765TIP3 H223605 -2.375 -2.146 -2.030 + 5766TIP3 OH223606 -0.935 -0.687 -1.756 + 5766TIP3 H123607 -0.875 -0.716 -1.827 + 5766TIP3 H223608 -0.877 -0.638 -1.698 + 5767TIP3 OH223609 -2.401 -2.312 -1.150 + 5767TIP3 H123610 -2.469 -2.351 -1.093 + 5767TIP3 H223611 -2.454 -2.276 -1.222 + 5768TIP3 OH223612 -2.251 -0.735 -1.372 + 5768TIP3 H123613 -2.210 -0.748 -1.286 + 5768TIP3 H223614 -2.172 -0.728 -1.428 + 5769TIP3 OH223615 -2.027 -0.859 -1.537 + 5769TIP3 H123616 -2.039 -0.951 -1.507 + 5769TIP3 H223617 -1.935 -0.843 -1.506 + 5770TIP3 OH223618 -1.768 -0.834 -1.445 + 5770TIP3 H123619 -1.699 -0.892 -1.477 + 5770TIP3 H223620 -1.729 -0.802 -1.362 + 5771TIP3 OH223621 -1.402 -2.231 -1.516 + 5771TIP3 H123622 -1.479 -2.289 -1.501 + 5771TIP3 H223623 -1.362 -2.273 -1.593 + 5772TIP3 OH223624 -0.874 -2.428 -1.527 + 5772TIP3 H123625 -0.809 -2.357 -1.538 + 5772TIP3 H223626 -0.960 -2.383 -1.531 + 5773TIP3 OH223627 -2.176 -2.355 -1.771 + 5773TIP3 H123628 -2.263 -2.370 -1.813 + 5773TIP3 H223629 -2.135 -2.443 -1.781 + 5774TIP3 OH223630 -2.297 -2.406 -2.180 + 5774TIP3 H123631 -2.246 -2.338 -2.229 + 5774TIP3 H223632 -2.339 -2.353 -2.110 + 5775TIP3 OH223633 -1.727 -2.368 -1.782 + 5775TIP3 H123634 -1.632 -2.348 -1.788 + 5775TIP3 H223635 -1.737 -2.379 -1.687 + 5776TIP3 OH223636 -1.141 -2.379 -1.659 + 5776TIP3 H123637 -1.192 -2.397 -1.739 + 5776TIP3 H223638 -1.184 -2.443 -1.598 + 5777TIP3 OH223639 -2.275 -0.807 -2.067 + 5777TIP3 H123640 -2.342 -0.813 -2.137 + 5777TIP3 H223641 -2.276 -0.712 -2.050 + 5778TIP3 OH223642 -2.123 -2.222 -2.337 + 5778TIP3 H123643 -2.063 -2.281 -2.386 + 5778TIP3 H223644 -2.065 -2.190 -2.266 + 5779TIP3 OH223645 -1.606 -2.205 -2.078 + 5779TIP3 H123646 -1.587 -2.267 -2.006 + 5779TIP3 H223647 -1.595 -2.120 -2.033 + 5780TIP3 OH223648 -1.411 -0.626 -2.251 + 5780TIP3 H123649 -1.313 -0.626 -2.251 + 5780TIP3 H223650 -1.428 -0.696 -2.316 + 5781TIP3 OH223651 -0.720 -0.723 -1.960 + 5781TIP3 H123652 -0.749 -0.798 -2.013 + 5781TIP3 H223653 -0.725 -0.649 -2.021 + 5782TIP3 OH223654 -2.181 -2.319 -0.756 + 5782TIP3 H123655 -2.220 -2.408 -0.765 + 5782TIP3 H223656 -2.098 -2.329 -0.803 + 5783TIP3 OH223657 -2.134 -0.717 -2.383 + 5783TIP3 H123658 -2.158 -0.689 -2.294 + 5783TIP3 H223659 -2.055 -0.772 -2.367 + 5784TIP3 OH223660 1.221 -2.122 -1.295 + 5784TIP3 H123661 1.229 -2.044 -1.240 + 5784TIP3 H223662 1.278 -2.096 -1.370 + 5785TIP3 OH223663 0.682 -1.848 -1.329 + 5785TIP3 H123664 0.684 -1.944 -1.321 + 5785TIP3 H223665 0.646 -1.837 -1.419 + 5786TIP3 OH223666 -0.037 -2.051 -1.613 + 5786TIP3 H123667 -0.013 -1.966 -1.656 + 5786TIP3 H223668 -0.066 -2.102 -1.691 + 5787TIP3 OH223669 0.757 -2.037 -1.793 + 5787TIP3 H123670 0.809 -2.075 -1.719 + 5787TIP3 H223671 0.824 -1.980 -1.833 + 5788TIP3 OH223672 -0.152 -2.154 -1.216 + 5788TIP3 H123673 -0.179 -2.082 -1.277 + 5788TIP3 H223674 -0.215 -2.139 -1.143 + 5789TIP3 OH223675 0.945 -2.107 -1.577 + 5789TIP3 H123676 0.899 -2.164 -1.515 + 5789TIP3 H223677 0.990 -2.044 -1.517 + 5790TIP3 OH223678 -0.188 -1.952 -1.400 + 5790TIP3 H123679 -0.148 -1.872 -1.360 + 5790TIP3 H223680 -0.128 -1.971 -1.475 + 5791TIP3 OH223681 -0.432 -1.235 -2.026 + 5791TIP3 H123682 -0.447 -1.186 -2.108 + 5791TIP3 H223683 -0.412 -1.164 -1.961 + 5792TIP3 OH223684 0.953 -2.197 -1.201 + 5792TIP3 H123685 0.875 -2.156 -1.242 + 5792TIP3 H223686 1.025 -2.174 -1.262 + 5793TIP3 OH223687 0.265 -2.423 -1.498 + 5793TIP3 H123688 0.243 -2.518 -1.499 + 5793TIP3 H223689 0.186 -2.384 -1.456 + 5794TIP3 OH223690 0.895 -1.138 -1.850 + 5794TIP3 H123691 0.807 -1.119 -1.885 + 5794TIP3 H223692 0.885 -1.107 -1.758 + 5795TIP3 OH223693 0.447 -1.469 -2.013 + 5795TIP3 H123694 0.379 -1.470 -2.080 + 5795TIP3 H223695 0.527 -1.491 -2.060 + 5796TIP3 OH223696 0.506 -1.700 -2.306 + 5796TIP3 H123697 0.578 -1.684 -2.244 + 5796TIP3 H223698 0.545 -1.767 -2.365 + 5797TIP3 OH223699 0.729 -1.544 -2.126 + 5797TIP3 H123700 0.791 -1.598 -2.076 + 5797TIP3 H223701 0.780 -1.523 -2.208 + 5798TIP3 OH223702 1.065 -2.410 -2.212 + 5798TIP3 H123703 0.979 -2.399 -2.169 + 5798TIP3 H223704 1.102 -2.320 -2.207 + 5799TIP3 OH223705 1.202 -0.988 -2.348 + 5799TIP3 H123706 1.220 -0.893 -2.333 + 5799TIP3 H223707 1.291 -1.027 -2.335 + 5800TIP3 OH223708 -0.210 -0.746 -1.786 + 5800TIP3 H123709 -0.189 -0.763 -1.694 + 5800TIP3 H223710 -0.301 -0.773 -1.793 + 5801TIP3 OH223711 0.778 -0.705 -2.218 + 5801TIP3 H123712 0.804 -0.772 -2.283 + 5801TIP3 H223713 0.738 -0.759 -2.150 + 5802TIP3 OH223714 0.027 -2.307 -1.398 + 5802TIP3 H123715 -0.053 -2.316 -1.454 + 5802TIP3 H223716 -0.001 -2.232 -1.343 + 5803TIP3 OH223717 0.463 -2.356 -1.044 + 5803TIP3 H123718 0.513 -2.402 -0.974 + 5803TIP3 H223719 0.371 -2.382 -1.026 + 5804TIP3 OH223720 0.778 -1.971 -0.994 + 5804TIP3 H123721 0.725 -1.990 -0.914 + 5804TIP3 H223722 0.762 -1.877 -1.007 + 5805TIP3 OH223723 0.881 -1.488 -2.351 + 5805TIP3 H123724 0.851 -1.501 -2.443 + 5805TIP3 H223725 0.974 -1.464 -2.367 + 5806TIP3 OH223726 0.442 -2.098 -2.310 + 5806TIP3 H123727 0.392 -2.113 -2.228 + 5806TIP3 H223728 0.402 -2.166 -2.368 + 5807TIP3 OH223729 0.018 -1.833 -1.758 + 5807TIP3 H123730 -0.064 -1.783 -1.766 + 5807TIP3 H223731 0.054 -1.827 -1.847 + 5808TIP3 OH223732 0.566 -1.746 -1.894 + 5808TIP3 H123733 0.511 -1.676 -1.931 + 5808TIP3 H223734 0.626 -1.769 -1.966 + 5809TIP3 OH223735 0.450 -1.753 -0.755 + 5809TIP3 H123736 0.401 -1.825 -0.713 + 5809TIP3 H223737 0.534 -1.751 -0.707 + 5810TIP3 OH223738 0.636 -1.816 -1.612 + 5810TIP3 H123739 0.601 -1.766 -1.688 + 5810TIP3 H223740 0.645 -1.904 -1.651 + 5811TIP3 OH223741 -0.220 -1.826 -1.117 + 5811TIP3 H123742 -0.213 -1.754 -1.052 + 5811TIP3 H223743 -0.286 -1.884 -1.078 + 5812TIP3 OH223744 0.086 -2.057 -2.422 + 5812TIP3 H123745 0.051 -2.086 -2.336 + 5812TIP3 H223746 0.005 -2.039 -2.472 + 5813TIP3 OH223747 -0.425 -2.033 -2.159 + 5813TIP3 H123748 -0.355 -1.984 -2.206 + 5813TIP3 H223749 -0.473 -1.960 -2.116 + 5814TIP3 OH223750 0.579 -1.651 -1.131 + 5814TIP3 H123751 0.610 -1.706 -1.204 + 5814TIP3 H223752 0.506 -1.704 -1.094 + 5815TIP3 OH223753 0.279 -2.066 -1.672 + 5815TIP3 H123754 0.185 -2.059 -1.647 + 5815TIP3 H223755 0.321 -2.071 -1.584 + 5816TIP3 OH223756 -0.276 -1.906 -1.864 + 5816TIP3 H123757 -0.364 -1.924 -1.830 + 5816TIP3 H223758 -0.229 -1.991 -1.853 + 5817TIP3 OH223759 0.103 -1.918 -2.047 + 5817TIP3 H123760 0.195 -1.895 -2.027 + 5817TIP3 H223761 0.071 -1.846 -2.103 + 5818TIP3 OH223762 0.718 -2.152 -1.371 + 5818TIP3 H123763 0.657 -2.148 -1.294 + 5818TIP3 H223764 0.655 -2.182 -1.439 + 5819TIP3 OH223765 -0.056 -1.780 -2.255 + 5819TIP3 H123766 -0.104 -1.808 -2.335 + 5819TIP3 H223767 0.025 -1.741 -2.293 + 5820TIP3 OH223768 -0.100 -2.159 -1.862 + 5820TIP3 H123769 -0.153 -2.240 -1.853 + 5820TIP3 H223770 -0.020 -2.190 -1.906 + 5821TIP3 OH223771 0.241 -1.941 -1.270 + 5821TIP3 H123772 0.178 -1.870 -1.259 + 5821TIP3 H223773 0.315 -1.912 -1.214 + 5822TIP3 OH223774 0.709 -2.042 -2.293 + 5822TIP3 H123775 0.611 -2.047 -2.300 + 5822TIP3 H223776 0.724 -1.967 -2.233 + 5823TIP3 OH223777 0.780 -1.842 -2.090 + 5823TIP3 H123778 0.862 -1.877 -2.048 + 5823TIP3 H223779 0.815 -1.789 -2.162 + 5824TIP3 OH223780 1.233 -1.857 -2.116 + 5824TIP3 H123781 1.183 -1.880 -2.197 + 5824TIP3 H223782 1.248 -1.762 -2.133 + 5825TIP3 OH223783 1.054 -0.981 -2.092 + 5825TIP3 H123784 1.048 -1.061 -2.039 + 5825TIP3 H223785 1.106 -1.008 -2.169 + 5826TIP3 OH223786 0.770 -1.456 -1.377 + 5826TIP3 H123787 0.695 -1.502 -1.340 + 5826TIP3 H223788 0.840 -1.521 -1.377 + 5827TIP3 OH223789 -0.345 -1.551 -2.294 + 5827TIP3 H123790 -0.294 -1.485 -2.244 + 5827TIP3 H223791 -0.435 -1.536 -2.259 + 5828TIP3 OH223792 0.826 -1.165 -2.286 + 5828TIP3 H123793 0.827 -1.216 -2.205 + 5828TIP3 H223794 0.731 -1.168 -2.310 + 5829TIP3 OH223795 1.257 -0.716 -2.266 + 5829TIP3 H123796 1.329 -0.656 -2.293 + 5829TIP3 H223797 1.187 -0.651 -2.255 + 5830TIP3 OH223798 -0.343 -2.086 -1.018 + 5830TIP3 H123799 -0.433 -2.056 -1.032 + 5830TIP3 H223800 -0.355 -2.170 -0.970 + 5831TIP3 OH223801 0.297 -1.051 -2.456 + 5831TIP3 H123802 0.286 -1.127 -2.517 + 5831TIP3 H223803 0.216 -1.056 -2.404 + 5832TIP3 OH223804 0.561 -2.106 -1.150 + 5832TIP3 H123805 0.619 -2.074 -1.080 + 5832TIP3 H223806 0.512 -2.178 -1.106 + 5833TIP3 OH223807 0.626 -2.164 -2.022 + 5833TIP3 H123808 0.646 -2.113 -2.101 + 5833TIP3 H223809 0.672 -2.115 -1.951 + 5834TIP3 OH223810 0.369 -1.959 -1.927 + 5834TIP3 H123811 0.447 -1.905 -1.904 + 5834TIP3 H223812 0.334 -1.982 -1.839 + 5835TIP3 OH223813 0.404 -1.844 -1.015 + 5835TIP3 H123814 0.403 -1.805 -0.925 + 5835TIP3 H223815 0.446 -1.929 -0.996 + 5836TIP3 OH223816 0.423 -2.263 -1.836 + 5836TIP3 H123817 0.403 -2.197 -1.766 + 5836TIP3 H223818 0.497 -2.221 -1.883 + 5837TIP3 OH223819 -0.004 -2.161 -2.179 + 5837TIP3 H123820 0.001 -2.081 -2.122 + 5837TIP3 H223821 0.078 -2.207 -2.152 + 5838TIP3 OH223822 1.045 -2.073 -0.942 + 5838TIP3 H123823 0.950 -2.054 -0.937 + 5838TIP3 H223824 1.053 -2.099 -1.034 + 5839TIP3 OH223825 0.888 -1.704 -1.550 + 5839TIP3 H123826 0.796 -1.736 -1.549 + 5839TIP3 H223827 0.928 -1.759 -1.480 + 5840TIP3 OH223828 -0.344 -1.847 -2.370 + 5840TIP3 H123829 -0.331 -1.758 -2.333 + 5840TIP3 H223830 -0.438 -1.848 -2.392 + 5841TIP3 OH223831 1.014 -0.785 -1.425 + 5841TIP3 H123832 0.923 -0.769 -1.392 + 5841TIP3 H223833 1.064 -0.785 -1.342 + 5842TIP3 OH223834 -0.236 -2.371 -1.497 + 5842TIP3 H123835 -0.278 -2.358 -1.584 + 5842TIP3 H223836 -0.287 -2.445 -1.459 + 5843TIP3 OH223837 -0.380 -1.007 -1.871 + 5843TIP3 H123838 -0.451 -0.948 -1.843 + 5843TIP3 H223839 -0.322 -0.944 -1.916 + 5844TIP3 OH223840 0.902 -0.895 -2.399 + 5844TIP3 H123841 0.920 -0.976 -2.349 + 5844TIP3 H223842 0.982 -0.887 -2.454 + 5845TIP3 OH223843 0.558 -1.199 -2.445 + 5845TIP3 H123844 0.488 -1.166 -2.388 + 5845TIP3 H223845 0.525 -1.288 -2.472 + 5846TIP3 OH223846 0.197 -1.678 -2.354 + 5846TIP3 H123847 0.189 -1.668 -2.450 + 5846TIP3 H223848 0.293 -1.675 -2.341 + 5847TIP3 OH223849 1.146 -1.451 -2.441 + 5847TIP3 H123850 1.127 -1.489 -2.530 + 5847TIP3 H223851 1.141 -1.356 -2.463 + 5848TIP3 OH223852 0.076 -1.965 -0.863 + 5848TIP3 H123853 0.079 -2.034 -0.931 + 5848TIP3 H223854 0.054 -1.886 -0.914 + 5849TIP3 OH223855 0.117 -2.145 -1.119 + 5849TIP3 H123856 0.165 -2.086 -1.181 + 5849TIP3 H223857 0.024 -2.135 -1.148 + 5850TIP3 OH223858 0.740 -1.827 -0.624 + 5850TIP3 H123859 0.760 -1.918 -0.598 + 5850TIP3 H223860 0.814 -1.776 -0.592 + 5851TIP3 OH223861 -0.094 -1.840 -0.632 + 5851TIP3 H123862 -0.174 -1.883 -0.669 + 5851TIP3 H223863 -0.038 -1.829 -0.709 + 5852TIP3 OH223864 0.186 -2.411 -1.078 + 5852TIP3 H123865 0.170 -2.316 -1.093 + 5852TIP3 H223866 0.114 -2.451 -1.129 + 5853TIP3 OH223867 0.307 -1.983 -0.704 + 5853TIP3 H123868 0.269 -1.983 -0.615 + 5853TIP3 H223869 0.225 -1.976 -0.757 + 5854TIP3 OH223870 0.573 -2.063 -0.809 + 5854TIP3 H123871 0.485 -2.050 -0.770 + 5854TIP3 H223872 0.622 -2.105 -0.735 + 5855TIP3 OH223873 0.765 -2.169 -0.614 + 5855TIP3 H123874 0.765 -2.265 -0.613 + 5855TIP3 H223875 0.755 -2.146 -0.519 + 5856TIP3 OH223876 -0.280 -2.040 -0.682 + 5856TIP3 H123877 -0.277 -2.103 -0.755 + 5856TIP3 H223878 -0.281 -2.099 -0.604 + 5857TIP3 OH223879 0.170 -2.464 -0.797 + 5857TIP3 H123880 0.225 -2.543 -0.790 + 5857TIP3 H223881 0.168 -2.449 -0.893 + 5858TIP3 OH223882 0.260 -2.290 -0.601 + 5858TIP3 H123883 0.230 -2.345 -0.677 + 5858TIP3 H223884 0.205 -2.212 -0.612 + 5859TIP3 OH223885 -0.420 -1.133 -2.319 + 5859TIP3 H123886 -0.326 -1.130 -2.296 + 5859TIP3 H223887 -0.426 -1.214 -2.373 + 5860TIP3 OH223888 1.271 -0.671 -1.333 + 5860TIP3 H123889 1.264 -0.668 -1.237 + 5860TIP3 H223890 1.364 -0.652 -1.345 + 5861TIP3 OH223891 1.217 -1.491 -1.847 + 5861TIP3 H123892 1.180 -1.569 -1.802 + 5861TIP3 H223893 1.302 -1.479 -1.798 + 5862TIP3 OH223894 1.212 -1.241 -1.316 + 5862TIP3 H123895 1.252 -1.317 -1.360 + 5862TIP3 H223896 1.216 -1.169 -1.380 + 5863TIP3 OH223897 1.201 -1.526 -2.151 + 5863TIP3 H123898 1.204 -1.516 -2.248 + 5863TIP3 H223899 1.270 -1.467 -2.120 + 5864TIP3 OH223900 1.081 -1.810 -2.363 + 5864TIP3 H123901 1.114 -1.759 -2.439 + 5864TIP3 H223902 1.060 -1.896 -2.404 + 5865TIP3 OH223903 0.994 -1.653 -1.801 + 5865TIP3 H123904 0.999 -1.749 -1.817 + 5865TIP3 H223905 0.961 -1.656 -1.707 + 5866TIP3 OH223906 1.030 -2.075 -2.436 + 5866TIP3 H123907 1.093 -2.129 -2.384 + 5866TIP3 H223908 0.956 -2.135 -2.452 + 5867TIP3 OH223909 1.014 -1.938 -1.947 + 5867TIP3 H123910 1.033 -2.033 -1.930 + 5867TIP3 H223911 1.098 -1.913 -1.989 + 5868TIP3 OH223912 1.031 -1.885 -1.381 + 5868TIP3 H123913 1.127 -1.865 -1.381 + 5868TIP3 H223914 1.008 -1.867 -1.289 + 5869TIP3 OH223915 1.291 -2.373 -0.624 + 5869TIP3 H123916 1.336 -2.449 -0.667 + 5869TIP3 H223917 1.316 -2.301 -0.683 + 5870TIP3 OH223918 1.057 -2.225 -1.948 + 5870TIP3 H123919 1.071 -2.260 -1.859 + 5870TIP3 H223920 0.979 -2.277 -1.976 + 5871TIP3 OH223921 -0.417 -2.145 -1.443 + 5871TIP3 H123922 -0.350 -2.214 -1.436 + 5871TIP3 H223923 -0.365 -2.066 -1.422 + 5872TIP3 OH223924 1.255 -2.179 -2.283 + 5872TIP3 H123925 1.283 -2.259 -2.331 + 5872TIP3 H223926 1.337 -2.129 -2.278 + 5873TIP3 OH223927 -0.558 -2.215 -1.980 + 5873TIP3 H123928 -0.630 -2.156 -2.003 + 5873TIP3 H223929 -0.481 -2.160 -1.998 + 5874TIP3 OH223930 -0.554 -2.300 -1.124 + 5874TIP3 H123931 -0.617 -2.364 -1.087 + 5874TIP3 H223932 -0.600 -2.264 -1.200 + 5875TIP3 OH223933 1.135 -2.380 -0.960 + 5875TIP3 H123934 1.059 -2.347 -1.010 + 5875TIP3 H223935 1.153 -2.467 -1.001 + 5876TIP3 OH223936 0.477 -2.229 -1.522 + 5876TIP3 H123937 0.404 -2.293 -1.510 + 5876TIP3 H223938 0.535 -2.276 -1.583 + 5877TIP3 OH223939 0.970 -2.427 -1.480 + 5877TIP3 H123940 1.045 -2.379 -1.520 + 5877TIP3 H223941 0.895 -2.393 -1.530 + 5878TIP3 OH223942 1.176 -2.314 -1.693 + 5878TIP3 H123943 1.250 -2.355 -1.742 + 5878TIP3 H223944 1.209 -2.223 -1.681 + 5879TIP3 OH223945 -0.301 -2.356 -1.784 + 5879TIP3 H123946 -0.394 -2.373 -1.810 + 5879TIP3 H223947 -0.260 -2.444 -1.788 + 5880TIP3 OH223948 -0.414 -2.401 -2.172 + 5880TIP3 H123949 -0.359 -2.339 -2.223 + 5880TIP3 H223950 -0.462 -2.341 -2.112 + 5881TIP3 OH223951 0.158 -2.379 -1.780 + 5881TIP3 H123952 0.246 -2.340 -1.793 + 5881TIP3 H223953 0.152 -2.380 -1.684 + 5882TIP3 OH223954 0.715 -2.368 -1.642 + 5882TIP3 H123955 0.744 -2.389 -1.732 + 5882TIP3 H223956 0.678 -2.453 -1.613 + 5883TIP3 OH223957 0.827 -2.369 -2.042 + 5883TIP3 H123958 0.744 -2.319 -2.053 + 5883TIP3 H223959 0.793 -2.459 -2.026 + 5884TIP3 OH223960 -0.373 -0.808 -2.075 + 5884TIP3 H123961 -0.453 -0.799 -2.129 + 5884TIP3 H223962 -0.359 -0.716 -2.045 + 5885TIP3 OH223963 -0.236 -2.229 -2.337 + 5885TIP3 H123964 -0.172 -2.281 -2.387 + 5885TIP3 H223965 -0.180 -2.193 -2.266 + 5886TIP3 OH223966 0.274 -2.207 -2.076 + 5886TIP3 H123967 0.307 -2.263 -2.004 + 5886TIP3 H223968 0.287 -2.119 -2.038 + 5887TIP3 OH223969 1.155 -0.722 -1.978 + 5887TIP3 H123970 1.130 -0.805 -2.022 + 5887TIP3 H223971 1.127 -0.655 -2.041 + 5888TIP3 OH223972 -0.319 -2.332 -0.818 + 5888TIP3 H123973 -0.349 -2.415 -0.775 + 5888TIP3 H223974 -0.226 -2.336 -0.789 + 5889TIP3 OH223975 -0.069 -2.397 -0.623 + 5889TIP3 H123976 0.004 -2.437 -0.674 + 5889TIP3 H223977 -0.128 -2.474 -0.614 + 5890TIP3 OH223978 0.740 -2.474 -0.609 + 5890TIP3 H123979 0.757 -2.517 -0.525 + 5890TIP3 H223980 0.829 -2.476 -0.650 + 5891TIP3 OH223981 2.499 -1.481 -1.746 + 5891TIP3 H123982 2.495 -1.387 -1.724 + 5891TIP3 H223983 2.418 -1.493 -1.797 + 5892TIP3 OH223984 2.383 -1.539 -1.437 + 5892TIP3 H123985 2.382 -1.588 -1.353 + 5892TIP3 H223986 2.353 -1.607 -1.500 + 5893TIP3 OH223987 1.642 -1.560 -1.241 + 5893TIP3 H123988 1.636 -1.639 -1.184 + 5893TIP3 H223989 1.727 -1.522 -1.217 + 5894TIP3 OH223990 2.750 -1.238 -1.588 + 5894TIP3 H123991 2.719 -1.311 -1.534 + 5894TIP3 H223992 2.787 -1.180 -1.520 + 5895TIP3 OH223993 1.721 -1.124 -1.444 + 5895TIP3 H123994 1.690 -1.216 -1.457 + 5895TIP3 H223995 1.816 -1.138 -1.426 + 5896TIP3 OH223996 1.392 -1.776 -1.882 + 5896TIP3 H123997 1.360 -1.687 -1.867 + 5896TIP3 H223998 1.317 -1.821 -1.923 + 5897TIP3 OH223999 1.456 -1.530 -1.711 + 5897TIP3 H124000 1.468 -1.599 -1.643 + 5897TIP3 H224001 1.548 -1.509 -1.732 + 5898TIP3 OH224002 2.454 -0.725 -1.540 + 5898TIP3 H124003 2.509 -0.798 -1.572 + 5898TIP3 H224004 2.433 -0.757 -1.451 + 5899TIP3 OH224005 2.232 -1.291 -1.377 + 5899TIP3 H124006 2.269 -1.363 -1.430 + 5899TIP3 H224007 2.311 -1.269 -1.324 + 5900TIP3 OH224008 3.097 -2.133 -1.316 + 5900TIP3 H124009 3.121 -2.076 -1.242 + 5900TIP3 H224010 3.159 -2.101 -1.385 + 5901TIP3 OH224011 2.562 -1.853 -1.326 + 5901TIP3 H124012 2.576 -1.949 -1.321 + 5901TIP3 H224013 2.552 -1.840 -1.422 + 5902TIP3 OH224014 1.858 -2.051 -1.619 + 5902TIP3 H124015 1.872 -1.965 -1.663 + 5902TIP3 H224016 1.822 -2.103 -1.693 + 5903TIP3 OH224017 2.642 -2.037 -1.791 + 5903TIP3 H124018 2.697 -2.078 -1.719 + 5903TIP3 H224019 2.711 -1.990 -1.840 + 5904TIP3 OH224020 1.525 -1.778 -1.567 + 5904TIP3 H124021 1.586 -1.826 -1.509 + 5904TIP3 H224022 1.535 -1.827 -1.650 + 5905TIP3 OH224023 2.065 -1.639 -1.624 + 5905TIP3 H124024 2.135 -1.693 -1.583 + 5905TIP3 H224025 2.013 -1.707 -1.672 + 5906TIP3 OH224026 3.175 -1.990 -1.063 + 5906TIP3 H124027 3.112 -1.923 -1.095 + 5906TIP3 H224028 3.140 -2.006 -0.975 + 5907TIP3 OH224029 1.734 -2.171 -1.198 + 5907TIP3 H124030 1.696 -2.120 -1.272 + 5907TIP3 H224031 1.666 -2.155 -1.130 + 5908TIP3 OH224032 2.497 -1.189 -1.871 + 5908TIP3 H124033 2.447 -1.221 -1.946 + 5908TIP3 H224034 2.447 -1.111 -1.843 + 5909TIP3 OH224035 2.013 -1.381 -1.203 + 5909TIP3 H124036 1.965 -1.312 -1.152 + 5909TIP3 H224037 2.087 -1.329 -1.239 + 5910TIP3 OH224038 2.823 -2.108 -1.585 + 5910TIP3 H124039 2.799 -2.182 -1.526 + 5910TIP3 H224040 2.875 -2.053 -1.524 + 5911TIP3 OH224041 1.698 -1.968 -1.408 + 5911TIP3 H124042 1.761 -1.910 -1.360 + 5911TIP3 H224043 1.757 -2.003 -1.478 + 5912TIP3 OH224044 1.885 -1.179 -1.074 + 5912TIP3 H124045 1.877 -1.090 -1.109 + 5912TIP3 H224046 1.808 -1.186 -1.016 + 5913TIP3 OH224047 1.417 -1.240 -2.035 + 5913TIP3 H124048 1.415 -1.186 -2.115 + 5913TIP3 H224049 1.439 -1.174 -1.966 + 5914TIP3 OH224050 2.841 -2.194 -1.194 + 5914TIP3 H124051 2.761 -2.162 -1.242 + 5914TIP3 H224052 2.909 -2.185 -1.263 + 5915TIP3 OH224053 2.151 -2.423 -1.496 + 5915TIP3 H124054 2.129 -2.518 -1.499 + 5915TIP3 H224055 2.069 -2.385 -1.457 + 5916TIP3 OH224056 2.631 -0.885 -1.712 + 5916TIP3 H124057 2.680 -0.968 -1.715 + 5916TIP3 H224058 2.702 -0.820 -1.698 + 5917TIP3 OH224059 2.793 -1.114 -1.846 + 5917TIP3 H124060 2.714 -1.151 -1.890 + 5917TIP3 H224061 2.788 -1.158 -1.759 + 5918TIP3 OH224062 2.941 -1.191 -0.983 + 5918TIP3 H124063 2.927 -1.264 -1.045 + 5918TIP3 H224064 2.934 -1.119 -1.048 + 5919TIP3 OH224065 2.360 -1.531 -2.017 + 5919TIP3 H124066 2.294 -1.468 -2.052 + 5919TIP3 H224067 2.432 -1.523 -2.081 + 5920TIP3 OH224068 2.390 -1.708 -2.312 + 5920TIP3 H124069 2.458 -1.679 -2.248 + 5920TIP3 H224070 2.441 -1.768 -2.368 + 5921TIP3 OH224071 3.120 -1.602 -1.191 + 5921TIP3 H124072 3.042 -1.541 -1.186 + 5921TIP3 H224073 3.164 -1.564 -1.270 + 5922TIP3 OH224074 2.713 -1.531 -1.909 + 5922TIP3 H124075 2.644 -1.508 -1.842 + 5922TIP3 H224076 2.774 -1.585 -1.854 + 5923TIP3 OH224077 2.694 -1.675 -1.025 + 5923TIP3 H124078 2.700 -1.593 -0.974 + 5923TIP3 H224079 2.631 -1.646 -1.093 + 5924TIP3 OH224080 1.872 -1.452 -1.731 + 5924TIP3 H124081 1.842 -1.497 -1.812 + 5924TIP3 H224082 1.937 -1.515 -1.695 + 5925TIP3 OH224083 2.016 -1.113 -1.461 + 5925TIP3 H124084 2.015 -1.155 -1.548 + 5925TIP3 H224085 2.096 -1.154 -1.421 + 5926TIP3 OH224086 1.924 -1.573 -1.385 + 5926TIP3 H124087 1.986 -1.571 -1.461 + 5926TIP3 H224088 1.962 -1.504 -1.326 + 5927TIP3 OH224089 2.519 -1.018 -1.334 + 5927TIP3 H124090 2.558 -0.950 -1.277 + 5927TIP3 H224091 2.537 -1.100 -1.286 + 5928TIP3 OH224092 2.611 -1.586 -2.163 + 5928TIP3 H124093 2.654 -1.556 -2.079 + 5928TIP3 H224094 2.657 -1.528 -2.229 + 5929TIP3 OH224095 2.351 -0.925 -1.807 + 5929TIP3 H124096 2.404 -0.901 -1.730 + 5929TIP3 H224097 2.304 -0.843 -1.828 + 5930TIP3 OH224098 2.951 -2.410 -2.213 + 5930TIP3 H124099 2.863 -2.402 -2.172 + 5930TIP3 H224100 2.985 -2.320 -2.203 + 5931TIP3 OH224101 1.766 -1.577 -1.978 + 5931TIP3 H124102 1.742 -1.501 -2.033 + 5931TIP3 H224103 1.701 -1.643 -2.004 + 5932TIP3 OH224104 3.098 -0.990 -2.376 + 5932TIP3 H124105 3.110 -0.902 -2.333 + 5932TIP3 H224106 3.176 -1.038 -2.342 + 5933TIP3 OH224107 1.357 -1.014 -1.452 + 5933TIP3 H124108 1.445 -1.044 -1.427 + 5933TIP3 H224109 1.334 -0.951 -1.381 + 5934TIP3 OH224110 3.211 -0.954 -0.826 + 5934TIP3 H124111 3.200 -1.046 -0.856 + 5934TIP3 H224112 3.118 -0.930 -0.803 + 5935TIP3 OH224113 2.304 -1.021 -0.959 + 5935TIP3 H124114 2.320 -0.956 -0.888 + 5935TIP3 H224115 2.221 -1.060 -0.932 + 5936TIP3 OH224116 2.312 -0.650 -1.958 + 5936TIP3 H124117 2.310 -0.638 -2.054 + 5936TIP3 H224118 2.308 -0.559 -1.924 + 5937TIP3 OH224119 1.686 -0.760 -1.803 + 5937TIP3 H124120 1.707 -0.787 -1.711 + 5937TIP3 H224121 1.592 -0.781 -1.807 + 5938TIP3 OH224122 2.642 -0.718 -2.244 + 5938TIP3 H124123 2.692 -0.789 -2.286 + 5938TIP3 H224124 2.635 -0.750 -2.152 + 5939TIP3 OH224125 2.578 -0.768 -1.965 + 5939TIP3 H124126 2.483 -0.753 -1.946 + 5939TIP3 H224127 2.599 -0.831 -1.893 + 5940TIP3 OH224128 2.896 -1.820 -0.791 + 5940TIP3 H124129 2.838 -1.781 -0.858 + 5940TIP3 H224130 2.898 -1.913 -0.821 + 5941TIP3 OH224131 1.908 -2.309 -1.402 + 5941TIP3 H124132 1.825 -2.313 -1.452 + 5941TIP3 H224133 1.889 -2.234 -1.344 + 5942TIP3 OH224134 2.346 -2.352 -1.041 + 5942TIP3 H124135 2.399 -2.402 -0.975 + 5942TIP3 H224136 2.256 -2.384 -1.026 + 5943TIP3 OH224137 2.664 -1.970 -0.984 + 5943TIP3 H124138 2.600 -1.987 -0.913 + 5943TIP3 H224139 2.654 -1.875 -1.003 + 5944TIP3 OH224140 2.754 -1.471 -2.371 + 5944TIP3 H124141 2.744 -1.501 -2.463 + 5944TIP3 H224142 2.850 -1.455 -2.366 + 5945TIP3 OH224143 2.330 -2.101 -2.310 + 5945TIP3 H124144 2.279 -2.112 -2.228 + 5945TIP3 H224145 2.286 -2.167 -2.367 + 5946TIP3 OH224146 1.891 -1.831 -1.256 + 5946TIP3 H124147 1.832 -1.818 -1.179 + 5946TIP3 H224148 1.902 -1.740 -1.289 + 5947TIP3 OH224149 1.889 -1.821 -1.775 + 5947TIP3 H124150 1.793 -1.832 -1.790 + 5947TIP3 H224151 1.923 -1.843 -1.863 + 5948TIP3 OH224152 2.448 -1.767 -1.897 + 5948TIP3 H124153 2.408 -1.683 -1.928 + 5948TIP3 H224154 2.518 -1.780 -1.963 + 5949TIP3 OH224155 2.370 -1.742 -0.757 + 5949TIP3 H124156 2.313 -1.813 -0.723 + 5949TIP3 H224157 2.456 -1.761 -0.714 + 5950TIP3 OH224158 2.534 -1.827 -1.618 + 5950TIP3 H124159 2.506 -1.769 -1.691 + 5950TIP3 H224160 2.555 -1.908 -1.668 + 5951TIP3 OH224161 1.639 -1.814 -1.077 + 5951TIP3 H124162 1.654 -1.781 -0.987 + 5951TIP3 H224163 1.594 -1.899 -1.059 + 5952TIP3 OH224164 1.979 -2.060 -2.423 + 5952TIP3 H124165 1.940 -2.091 -2.339 + 5952TIP3 H224166 1.902 -2.024 -2.468 + 5953TIP3 OH224167 1.315 -2.065 -1.717 + 5953TIP3 H124168 1.373 -2.066 -1.639 + 5953TIP3 H224169 1.368 -2.108 -1.786 + 5954TIP3 OH224170 1.475 -2.024 -2.142 + 5954TIP3 H124171 1.528 -1.976 -2.208 + 5954TIP3 H224172 1.405 -1.959 -2.125 + 5955TIP3 OH224173 2.441 -1.658 -1.174 + 5955TIP3 H124174 2.487 -1.731 -1.222 + 5955TIP3 H224175 2.409 -1.705 -1.095 + 5956TIP3 OH224176 2.165 -2.064 -1.673 + 5956TIP3 H124177 2.071 -2.066 -1.647 + 5956TIP3 H224178 2.208 -2.080 -1.587 + 5957TIP3 OH224179 1.623 -1.938 -1.806 + 5957TIP3 H124180 1.539 -1.914 -1.850 + 5957TIP3 H224181 1.651 -2.018 -1.854 + 5958TIP3 OH224182 1.987 -1.908 -2.037 + 5958TIP3 H124183 2.083 -1.898 -2.030 + 5958TIP3 H224184 1.961 -1.847 -2.107 + 5959TIP3 OH224185 2.603 -2.144 -1.369 + 5959TIP3 H124186 2.540 -2.147 -1.294 + 5959TIP3 H224187 2.548 -2.181 -1.440 + 5960TIP3 OH224188 1.831 -1.780 -2.259 + 5960TIP3 H124189 1.773 -1.809 -2.331 + 5960TIP3 H224190 1.913 -1.763 -2.307 + 5961TIP3 OH224191 2.908 -0.574 -0.696 + 5961TIP3 H124192 2.909 -0.527 -0.780 + 5961TIP3 H224193 2.973 -0.525 -0.644 + 5962TIP3 OH224194 2.266 -1.810 -1.491 + 5962TIP3 H124195 2.343 -1.851 -1.533 + 5962TIP3 H224196 2.251 -1.868 -1.414 + 5963TIP3 OH224197 1.796 -2.166 -1.873 + 5963TIP3 H124198 1.742 -2.245 -1.857 + 5963TIP3 H224199 1.878 -2.204 -1.908 + 5964TIP3 OH224200 2.164 -1.963 -1.264 + 5964TIP3 H124201 2.088 -1.903 -1.260 + 5964TIP3 H224202 2.215 -1.938 -1.184 + 5965TIP3 OH224203 2.180 -1.325 -2.076 + 5965TIP3 H124204 2.102 -1.374 -2.109 + 5965TIP3 H224205 2.159 -1.317 -1.979 + 5966TIP3 OH224206 2.908 -1.427 -1.200 + 5966TIP3 H124207 2.942 -1.344 -1.242 + 5966TIP3 H224208 2.819 -1.430 -1.240 + 5967TIP3 OH224209 2.597 -2.034 -2.307 + 5967TIP3 H124210 2.499 -2.044 -2.301 + 5967TIP3 H224211 2.616 -1.970 -2.235 + 5968TIP3 OH224212 2.326 -1.329 -0.940 + 5968TIP3 H124213 2.308 -1.359 -0.850 + 5968TIP3 H224214 2.323 -1.234 -0.931 + 5969TIP3 OH224215 2.664 -1.860 -2.098 + 5969TIP3 H124216 2.748 -1.875 -2.050 + 5969TIP3 H224217 2.674 -1.769 -2.130 + 5970TIP3 OH224218 1.679 -1.401 -1.499 + 5970TIP3 H124219 1.747 -1.410 -1.568 + 5970TIP3 H224220 1.697 -1.478 -1.442 + 5971TIP3 OH224221 2.418 -1.187 -2.188 + 5971TIP3 H124222 2.395 -1.102 -2.144 + 5971TIP3 H224223 2.346 -1.244 -2.156 + 5972TIP3 OH224224 2.106 -1.592 -0.738 + 5972TIP3 H124225 2.073 -1.610 -0.826 + 5972TIP3 H224226 2.199 -1.613 -0.744 + 5973TIP3 OH224227 2.585 -1.086 -0.976 + 5973TIP3 H124228 2.498 -1.054 -1.008 + 5973TIP3 H224229 2.596 -1.034 -0.896 + 5974TIP3 OH224230 3.123 -1.862 -2.119 + 5974TIP3 H124231 3.064 -1.877 -2.195 + 5974TIP3 H224232 3.136 -1.765 -2.128 + 5975TIP3 OH224233 3.165 -1.258 -0.840 + 5975TIP3 H124234 3.075 -1.226 -0.863 + 5975TIP3 H224235 3.201 -1.272 -0.930 + 5976TIP3 OH224236 2.932 -1.002 -2.122 + 5976TIP3 H124237 2.907 -1.063 -2.050 + 5976TIP3 H224238 3.007 -1.046 -2.162 + 5977TIP3 OH224239 2.667 -1.465 -1.365 + 5977TIP3 H124240 2.574 -1.479 -1.392 + 5977TIP3 H224241 2.713 -1.533 -1.418 + 5978TIP3 OH224242 1.929 -1.058 -1.775 + 5978TIP3 H124243 1.974 -0.971 -1.775 + 5978TIP3 H224244 1.837 -1.031 -1.788 + 5979TIP3 OH224245 1.517 -1.575 -2.291 + 5979TIP3 H124246 1.586 -1.514 -2.258 + 5979TIP3 H224247 1.440 -1.517 -2.287 + 5980TIP3 OH224248 2.114 -1.287 -1.809 + 5980TIP3 H124249 2.084 -1.196 -1.791 + 5980TIP3 H224250 2.046 -1.338 -1.763 + 5981TIP3 OH224251 2.140 -0.871 -1.179 + 5981TIP3 H124252 2.191 -0.793 -1.205 + 5981TIP3 H224253 2.202 -0.917 -1.122 + 5982TIP3 OH224254 1.976 -0.765 -1.850 + 5982TIP3 H124255 1.881 -0.754 -1.837 + 5982TIP3 H224256 2.010 -0.677 -1.821 + 5983TIP3 OH224257 2.468 -1.292 -1.213 + 5983TIP3 H124258 2.444 -1.314 -1.122 + 5983TIP3 H224259 2.547 -1.346 -1.227 + 5984TIP3 OH224260 2.690 -1.147 -2.323 + 5984TIP3 H124261 2.733 -1.191 -2.247 + 5984TIP3 H224262 2.597 -1.164 -2.299 + 5985TIP3 OH224263 2.760 -0.817 -0.948 + 5985TIP3 H124264 2.691 -0.862 -0.999 + 5985TIP3 H224265 2.769 -0.736 -1.001 + 5986TIP3 OH224266 3.161 -0.731 -2.271 + 5986TIP3 H124267 3.233 -0.666 -2.286 + 5986TIP3 H224268 3.086 -0.668 -2.264 + 5987TIP3 OH224269 1.532 -2.086 -1.011 + 5987TIP3 H124270 1.439 -2.063 -1.019 + 5987TIP3 H224271 1.527 -2.171 -0.963 + 5988TIP3 OH224272 2.785 -1.303 -2.093 + 5988TIP3 H124273 2.755 -1.365 -2.024 + 5988TIP3 H224274 2.878 -1.292 -2.069 + 5989TIP3 OH224275 2.112 -1.052 -2.464 + 5989TIP3 H124276 2.141 -1.133 -2.511 + 5989TIP3 H224277 2.071 -1.090 -2.385 + 5990TIP3 OH224278 1.997 -1.099 -2.193 + 5990TIP3 H124279 2.046 -1.152 -2.128 + 5990TIP3 H224280 2.011 -1.008 -2.159 + 5991TIP3 OH224281 1.667 -1.349 -2.150 + 5991TIP3 H124282 1.599 -1.311 -2.092 + 5991TIP3 H224283 1.718 -1.269 -2.173 + 5992TIP3 OH224284 2.447 -2.110 -1.150 + 5992TIP3 H124285 2.508 -2.082 -1.080 + 5992TIP3 H224286 2.398 -2.182 -1.108 + 5993TIP3 OH224287 2.516 -2.167 -2.024 + 5993TIP3 H124288 2.527 -2.106 -2.099 + 5993TIP3 H224289 2.555 -2.116 -1.951 + 5994TIP3 OH224290 2.289 -0.940 -2.132 + 5994TIP3 H124291 2.210 -0.889 -2.107 + 5994TIP3 H224292 2.327 -0.885 -2.202 + 5995TIP3 OH224293 2.253 -1.966 -1.930 + 5995TIP3 H124294 2.327 -1.903 -1.914 + 5995TIP3 H224295 2.223 -1.983 -1.839 + 5996TIP3 OH224296 2.289 -1.872 -1.015 + 5996TIP3 H124297 2.288 -1.819 -0.933 + 5996TIP3 H224298 2.342 -1.948 -0.987 + 5997TIP3 OH224299 2.307 -2.264 -1.837 + 5997TIP3 H124300 2.290 -2.198 -1.767 + 5997TIP3 H224301 2.383 -2.223 -1.883 + 5998TIP3 OH224302 2.011 -0.828 -2.129 + 5998TIP3 H124303 2.004 -0.745 -2.180 + 5998TIP3 H224304 1.997 -0.797 -2.037 + 5999TIP3 OH224305 1.885 -2.161 -2.183 + 5999TIP3 H124306 1.885 -2.086 -2.121 + 5999TIP3 H224307 1.965 -2.209 -2.155 + 6000TIP3 OH224308 2.919 -2.070 -0.927 + 6000TIP3 H124309 2.822 -2.058 -0.939 + 6000TIP3 H224310 2.939 -2.100 -1.017 + 6001TIP3 OH224311 2.769 -1.690 -1.527 + 6001TIP3 H124312 2.684 -1.733 -1.548 + 6001TIP3 H224313 2.816 -1.759 -1.476 + 6002TIP3 OH224314 1.723 -1.075 -2.278 + 6002TIP3 H124315 1.795 -1.024 -2.235 + 6002TIP3 H224316 1.776 -1.127 -2.340 + 6003TIP3 OH224317 1.531 -1.852 -2.353 + 6003TIP3 H124318 1.542 -1.758 -2.332 + 6003TIP3 H224319 1.452 -1.852 -2.408 + 6004TIP3 OH224320 2.837 -0.785 -1.377 + 6004TIP3 H124321 2.864 -0.705 -1.424 + 6004TIP3 H224322 2.919 -0.834 -1.364 + 6005TIP3 OH224323 1.632 -2.353 -1.485 + 6005TIP3 H124324 1.612 -2.355 -1.581 + 6005TIP3 H224325 1.597 -2.438 -1.454 + 6006TIP3 OH224326 1.500 -1.021 -1.876 + 6006TIP3 H124327 1.441 -0.957 -1.835 + 6006TIP3 H224328 1.565 -0.963 -1.918 + 6007TIP3 OH224329 2.334 -0.879 -2.418 + 6007TIP3 H124330 2.256 -0.939 -2.420 + 6007TIP3 H224331 2.402 -0.941 -2.450 + 6008TIP3 OH224332 2.538 -0.989 -0.690 + 6008TIP3 H124333 2.542 -1.082 -0.668 + 6008TIP3 H224334 2.609 -0.949 -0.636 + 6009TIP3 OH224335 2.814 -0.897 -2.445 + 6009TIP3 H124336 2.826 -0.961 -2.373 + 6009TIP3 H224337 2.904 -0.865 -2.460 + 6010TIP3 OH224338 1.876 -1.309 -2.429 + 6010TIP3 H124339 1.893 -1.367 -2.353 + 6010TIP3 H224340 1.963 -1.313 -2.474 + 6011TIP3 OH224341 2.403 -1.173 -2.467 + 6011TIP3 H124342 2.396 -1.179 -2.370 + 6011TIP3 H224343 2.395 -1.268 -2.490 + 6012TIP3 OH224344 2.657 -1.371 -0.958 + 6012TIP3 H124345 2.731 -1.316 -0.987 + 6012TIP3 H224346 2.588 -1.303 -0.952 + 6013TIP3 OH224347 1.980 -1.498 -2.198 + 6013TIP3 H124348 1.925 -1.550 -2.138 + 6013TIP3 H224349 2.013 -1.567 -2.259 + 6014TIP3 OH224350 1.897 -1.699 -0.969 + 6014TIP3 H124351 1.870 -1.620 -0.922 + 6014TIP3 H224352 1.975 -1.669 -1.020 + 6015TIP3 OH224353 2.081 -1.697 -2.369 + 6015TIP3 H124354 2.075 -1.690 -2.466 + 6015TIP3 H224355 2.178 -1.699 -2.356 + 6016TIP3 OH224356 2.478 -1.435 -0.646 + 6016TIP3 H124357 2.558 -1.485 -0.668 + 6016TIP3 H224358 2.418 -1.503 -0.615 + 6017TIP3 OH224359 3.022 -1.451 -2.431 + 6017TIP3 H124360 3.022 -1.491 -2.520 + 6017TIP3 H224361 3.046 -1.360 -2.451 + 6018TIP3 OH224362 1.956 -1.987 -0.852 + 6018TIP3 H124363 1.968 -2.052 -0.924 + 6018TIP3 H224364 1.939 -1.905 -0.901 + 6019TIP3 OH224365 2.000 -2.148 -1.111 + 6019TIP3 H124366 2.052 -2.093 -1.172 + 6019TIP3 H224367 1.909 -2.140 -1.144 + 6020TIP3 OH224368 2.147 -1.602 -1.080 + 6020TIP3 H124369 2.236 -1.608 -1.118 + 6020TIP3 H224370 2.125 -1.509 -1.098 + 6021TIP3 OH224371 2.611 -1.804 -0.595 + 6021TIP3 H124372 2.628 -1.898 -0.577 + 6021TIP3 H224373 2.700 -1.768 -0.602 + 6022TIP3 OH224374 2.725 -1.532 -0.745 + 6022TIP3 H124375 2.682 -1.473 -0.810 + 6022TIP3 H224376 2.814 -1.539 -0.786 + 6023TIP3 OH224377 1.783 -1.815 -0.657 + 6023TIP3 H124378 1.712 -1.881 -0.669 + 6023TIP3 H224379 1.857 -1.849 -0.708 + 6024TIP3 OH224380 2.072 -2.414 -1.076 + 6024TIP3 H124381 2.055 -2.318 -1.091 + 6024TIP3 H224382 2.000 -2.454 -1.129 + 6025TIP3 OH224383 2.197 -1.963 -0.699 + 6025TIP3 H124384 2.163 -1.979 -0.609 + 6025TIP3 H224385 2.114 -1.976 -0.749 + 6026TIP3 OH224386 2.451 -2.052 -0.812 + 6026TIP3 H124387 2.363 -2.044 -0.771 + 6026TIP3 H224388 2.496 -2.115 -0.751 + 6027TIP3 OH224389 2.644 -2.204 -0.635 + 6027TIP3 H124390 2.621 -2.298 -0.621 + 6027TIP3 H224391 2.618 -2.162 -0.550 + 6028TIP3 OH224392 1.590 -2.040 -0.672 + 6028TIP3 H124393 1.610 -2.099 -0.746 + 6028TIP3 H224394 1.604 -2.099 -0.595 + 6029TIP3 OH224395 2.054 -2.467 -0.795 + 6029TIP3 H124396 2.117 -2.541 -0.789 + 6029TIP3 H224397 2.053 -2.450 -0.891 + 6030TIP3 OH224398 2.151 -2.280 -0.609 + 6030TIP3 H124399 2.115 -2.336 -0.680 + 6030TIP3 H224400 2.084 -2.210 -0.600 + 6031TIP3 OH224401 2.056 -0.574 -2.263 + 6031TIP3 H124402 2.151 -0.559 -2.245 + 6031TIP3 H224403 2.046 -0.527 -2.346 + 6032TIP3 OH224404 1.447 -1.134 -2.308 + 6032TIP3 H124405 1.542 -1.114 -2.290 + 6032TIP3 H224406 1.454 -1.212 -2.366 + 6033TIP3 OH224407 1.400 -0.802 -1.659 + 6033TIP3 H124408 1.357 -0.883 -1.627 + 6033TIP3 H224409 1.407 -0.755 -1.574 + 6034TIP3 OH224410 3.145 -0.669 -1.345 + 6034TIP3 H124411 3.139 -0.693 -1.251 + 6034TIP3 H224412 3.240 -0.665 -1.359 + 6035TIP3 OH224413 3.111 -0.759 -1.055 + 6035TIP3 H124414 3.053 -0.829 -1.089 + 6035TIP3 H224415 3.166 -0.807 -0.992 + 6036TIP3 OH224416 2.941 -1.187 -0.586 + 6036TIP3 H124417 2.850 -1.191 -0.555 + 6036TIP3 H224418 2.971 -1.099 -0.559 + 6037TIP3 OH224419 3.075 -1.308 -2.046 + 6037TIP3 H124420 3.165 -1.278 -2.025 + 6037TIP3 H224421 3.060 -1.370 -1.972 + 6038TIP3 OH224422 3.117 -1.516 -1.850 + 6038TIP3 H124423 3.049 -1.568 -1.803 + 6038TIP3 H224424 3.184 -1.500 -1.780 + 6039TIP3 OH224425 3.147 -1.568 -2.190 + 6039TIP3 H124426 3.091 -1.538 -2.263 + 6039TIP3 H224427 3.131 -1.500 -2.123 + 6040TIP3 OH224428 2.964 -1.810 -2.366 + 6040TIP3 H124429 2.998 -1.750 -2.434 + 6040TIP3 H224430 2.947 -1.892 -2.415 + 6041TIP3 OH224431 2.908 -1.701 -1.766 + 6041TIP3 H124432 2.901 -1.797 -1.776 + 6041TIP3 H224433 2.872 -1.688 -1.676 + 6042TIP3 OH224434 1.384 -1.510 -1.388 + 6042TIP3 H124435 1.418 -1.476 -1.472 + 6042TIP3 H224436 1.464 -1.507 -1.332 + 6043TIP3 OH224437 2.977 -1.502 -0.849 + 6043TIP3 H124438 3.048 -1.567 -0.836 + 6043TIP3 H224439 3.026 -1.422 -0.872 + 6044TIP3 OH224440 3.129 -1.697 -0.730 + 6044TIP3 H124441 3.047 -1.747 -0.751 + 6044TIP3 H224442 3.195 -1.769 -0.733 + 6045TIP3 OH224443 2.919 -2.095 -2.456 + 6045TIP3 H124444 2.975 -2.126 -2.382 + 6045TIP3 H224445 2.832 -2.131 -2.435 + 6046TIP3 OH224446 2.895 -1.951 -1.949 + 6046TIP3 H124447 2.920 -2.046 -1.939 + 6046TIP3 H224448 2.978 -1.915 -1.984 + 6047TIP3 OH224449 2.921 -1.887 -1.404 + 6047TIP3 H124450 3.018 -1.880 -1.403 + 6047TIP3 H224451 2.903 -1.888 -1.308 + 6048TIP3 OH224452 2.938 -1.818 -1.121 + 6048TIP3 H124453 2.852 -1.782 -1.095 + 6048TIP3 H224454 2.988 -1.738 -1.143 + 6049TIP3 OH224455 3.197 -2.402 -0.590 + 6049TIP3 H124456 3.233 -2.473 -0.648 + 6049TIP3 H224457 3.195 -2.327 -0.652 + 6050TIP3 OH224458 2.946 -2.231 -1.949 + 6050TIP3 H124459 2.959 -2.262 -1.857 + 6050TIP3 H224460 2.865 -2.279 -1.974 + 6051TIP3 OH224461 1.461 -2.107 -1.473 + 6051TIP3 H124462 1.504 -2.193 -1.463 + 6051TIP3 H224463 1.530 -2.047 -1.439 + 6052TIP3 OH224464 1.315 -1.825 -1.354 + 6052TIP3 H124465 1.372 -1.834 -1.431 + 6052TIP3 H224466 1.343 -1.737 -1.322 + 6053TIP3 OH224467 3.129 -2.200 -0.768 + 6053TIP3 H124468 3.041 -2.159 -0.765 + 6053TIP3 H224469 3.119 -2.255 -0.848 + 6054TIP3 OH224470 3.140 -2.172 -2.292 + 6054TIP3 H124471 3.172 -2.260 -2.320 + 6054TIP3 H224472 3.223 -2.128 -2.266 + 6055TIP3 OH224473 1.367 -2.211 -1.965 + 6055TIP3 H124474 1.272 -2.203 -1.985 + 6055TIP3 H224475 1.408 -2.149 -2.029 + 6056TIP3 OH224476 2.828 -0.668 -1.757 + 6056TIP3 H124477 2.877 -0.708 -1.831 + 6056TIP3 H224478 2.898 -0.650 -1.694 + 6057TIP3 OH224479 1.369 -2.326 -1.153 + 6057TIP3 H124480 1.305 -2.345 -1.083 + 6057TIP3 H224481 1.317 -2.268 -1.212 + 6058TIP3 OH224482 3.005 -2.376 -0.966 + 6058TIP3 H124483 2.933 -2.354 -1.028 + 6058TIP3 H224484 3.033 -2.464 -0.999 + 6059TIP3 OH224485 1.850 -0.692 -1.225 + 6059TIP3 H124486 1.829 -0.667 -1.136 + 6059TIP3 H224487 1.886 -0.611 -1.265 + 6060TIP3 OH224488 2.298 -0.635 -1.255 + 6060TIP3 H124489 2.281 -0.572 -1.326 + 6060TIP3 H224490 2.310 -0.576 -1.177 + 6061TIP3 OH224491 2.546 -0.766 -1.186 + 6061TIP3 H124492 2.456 -0.733 -1.202 + 6061TIP3 H224493 2.588 -0.684 -1.154 + 6062TIP3 OH224494 2.823 -0.595 -1.151 + 6062TIP3 H124495 2.788 -0.511 -1.182 + 6062TIP3 H224496 2.826 -0.647 -1.234 + 6063TIP3 OH224497 1.552 -0.769 -1.362 + 6063TIP3 H124498 1.572 -0.794 -1.271 + 6063TIP3 H224499 1.634 -0.794 -1.409 + 6064TIP3 OH224500 1.755 -0.857 -1.546 + 6064TIP3 H124501 1.743 -0.950 -1.520 + 6064TIP3 H224502 1.844 -0.837 -1.510 + 6065TIP3 OH224503 2.026 -0.815 -1.454 + 6065TIP3 H124504 2.050 -0.907 -1.474 + 6065TIP3 H224505 2.031 -0.817 -1.356 + 6066TIP3 OH224506 2.358 -2.226 -1.526 + 6066TIP3 H124507 2.290 -2.294 -1.510 + 6066TIP3 H224508 2.422 -2.273 -1.582 + 6067TIP3 OH224509 2.827 -2.385 -1.465 + 6067TIP3 H124510 2.915 -2.411 -1.497 + 6067TIP3 H224511 2.771 -2.394 -1.543 + 6068TIP3 OH224512 3.056 -2.314 -1.700 + 6068TIP3 H124513 3.134 -2.359 -1.735 + 6068TIP3 H224514 3.090 -2.226 -1.675 + 6069TIP3 OH224515 1.595 -2.356 -1.768 + 6069TIP3 H124516 1.509 -2.370 -1.812 + 6069TIP3 H224517 1.638 -2.442 -1.782 + 6070TIP3 OH224518 1.474 -2.405 -2.184 + 6070TIP3 H124519 1.528 -2.339 -2.232 + 6070TIP3 H224520 1.436 -2.352 -2.112 + 6071TIP3 OH224521 2.042 -2.375 -1.780 + 6071TIP3 H124522 2.132 -2.341 -1.794 + 6071TIP3 H224523 2.039 -2.381 -1.684 + 6072TIP3 OH224524 2.590 -2.366 -1.651 + 6072TIP3 H124525 2.627 -2.390 -1.737 + 6072TIP3 H224526 2.561 -2.453 -1.617 + 6073TIP3 OH224527 2.713 -2.370 -2.044 + 6073TIP3 H124528 2.632 -2.316 -2.050 + 6073TIP3 H224529 2.676 -2.458 -2.025 + 6074TIP3 OH224530 1.492 -0.805 -2.084 + 6074TIP3 H124531 1.414 -0.815 -2.139 + 6074TIP3 H224532 1.489 -0.711 -2.064 + 6075TIP3 OH224533 1.649 -2.228 -2.335 + 6075TIP3 H124534 1.711 -2.277 -2.391 + 6075TIP3 H224535 1.710 -2.190 -2.269 + 6076TIP3 OH224536 2.159 -2.207 -2.075 + 6076TIP3 H124537 2.193 -2.263 -2.004 + 6076TIP3 H224538 2.175 -2.119 -2.037 + 6077TIP3 OH224539 2.367 -0.627 -2.254 + 6077TIP3 H124540 2.464 -0.629 -2.258 + 6077TIP3 H224541 2.344 -0.693 -2.320 + 6078TIP3 OH224542 3.016 -0.726 -1.995 + 6078TIP3 H124543 2.987 -0.808 -2.039 + 6078TIP3 H224544 3.006 -0.661 -2.067 + 6079TIP3 OH224545 1.573 -2.331 -0.820 + 6079TIP3 H124546 1.539 -2.413 -0.780 + 6079TIP3 H224547 1.665 -2.332 -0.786 + 6080TIP3 OH224548 1.815 -2.394 -0.642 + 6080TIP3 H124549 1.897 -2.429 -0.682 + 6080TIP3 H224550 1.780 -2.473 -0.600 + 6081TIP3 OH224551 1.638 -0.714 -2.382 + 6081TIP3 H124552 1.616 -0.694 -2.290 + 6081TIP3 H224553 1.715 -0.772 -2.371 + 6082TIP3 OH224554 2.625 -2.484 -0.625 + 6082TIP3 H124555 2.630 -2.523 -0.535 + 6082TIP3 H224556 2.719 -2.485 -0.651 + 6083TIP3 OH224557 2.954 -0.849 -0.749 + 6083TIP3 H124558 2.884 -0.865 -0.816 + 6083TIP3 H224559 2.940 -0.753 -0.737 + 6084TIP3 OH224560 4.216 -1.576 -1.427 + 6084TIP3 H124561 4.293 -1.542 -1.377 + 6084TIP3 H224562 4.247 -1.571 -1.518 + 6085TIP3 OH224563 3.513 -1.578 -1.271 + 6085TIP3 H124564 3.509 -1.651 -1.208 + 6085TIP3 H224565 3.583 -1.523 -1.233 + 6086TIP3 OH224566 3.587 -1.115 -1.413 + 6086TIP3 H124567 3.559 -1.204 -1.441 + 6086TIP3 H224568 3.681 -1.131 -1.398 + 6087TIP3 OH224569 3.283 -1.774 -1.885 + 6087TIP3 H124570 3.243 -1.687 -1.865 + 6087TIP3 H224571 3.205 -1.824 -1.913 + 6088TIP3 OH224572 3.358 -1.529 -1.696 + 6088TIP3 H124573 3.372 -1.606 -1.637 + 6088TIP3 H224574 3.445 -1.519 -1.736 + 6089TIP3 OH224575 4.120 -1.287 -1.365 + 6089TIP3 H124576 4.145 -1.358 -1.426 + 6089TIP3 H224577 4.205 -1.263 -1.326 + 6090TIP3 OH224578 3.747 -2.051 -1.619 + 6090TIP3 H124579 3.758 -1.964 -1.664 + 6090TIP3 H224580 3.708 -2.103 -1.692 + 6091TIP3 OH224581 3.413 -1.779 -1.569 + 6091TIP3 H124582 3.473 -1.827 -1.510 + 6091TIP3 H224583 3.423 -1.829 -1.652 + 6092TIP3 OH224584 3.952 -1.643 -1.621 + 6092TIP3 H124585 4.026 -1.695 -1.585 + 6092TIP3 H224586 3.901 -1.712 -1.667 + 6093TIP3 OH224587 3.626 -2.171 -1.203 + 6093TIP3 H124588 3.585 -2.122 -1.276 + 6093TIP3 H224589 3.558 -2.162 -1.133 + 6094TIP3 OH224590 3.917 -1.390 -1.187 + 6094TIP3 H124591 3.843 -1.330 -1.163 + 6094TIP3 H224592 3.980 -1.330 -1.229 + 6095TIP3 OH224593 3.585 -1.969 -1.409 + 6095TIP3 H124594 3.648 -1.910 -1.364 + 6095TIP3 H224595 3.642 -2.006 -1.479 + 6096TIP3 OH224596 3.716 -1.197 -1.114 + 6096TIP3 H124597 3.712 -1.107 -1.151 + 6096TIP3 H224598 3.627 -1.202 -1.074 + 6097TIP3 OH224599 3.348 -1.227 -2.029 + 6097TIP3 H124600 3.328 -1.175 -2.108 + 6097TIP3 H224601 3.366 -1.158 -1.961 + 6098TIP3 OH224602 4.043 -2.426 -1.487 + 6098TIP3 H124603 4.014 -2.519 -1.490 + 6098TIP3 H224604 3.963 -2.382 -1.453 + 6099TIP3 OH224605 4.266 -1.548 -2.029 + 6099TIP3 H124606 4.200 -1.477 -2.037 + 6099TIP3 H224607 4.336 -1.513 -2.084 + 6100TIP3 OH224608 4.287 -1.700 -2.304 + 6100TIP3 H124609 4.372 -1.692 -2.257 + 6100TIP3 H224610 4.302 -1.772 -2.366 + 6101TIP3 OH224611 3.759 -1.454 -1.730 + 6101TIP3 H124612 3.729 -1.498 -1.812 + 6101TIP3 H224613 3.824 -1.518 -1.696 + 6102TIP3 OH224614 3.897 -1.115 -1.454 + 6102TIP3 H124615 3.888 -1.153 -1.542 + 6102TIP3 H224616 3.977 -1.160 -1.421 + 6103TIP3 OH224617 3.816 -1.574 -1.380 + 6103TIP3 H124618 3.875 -1.572 -1.459 + 6103TIP3 H224619 3.855 -1.505 -1.323 + 6104TIP3 OH224620 3.902 -1.137 -0.897 + 6104TIP3 H124621 3.849 -1.068 -0.854 + 6104TIP3 H224622 3.841 -1.165 -0.968 + 6105TIP3 OH224623 3.596 -1.504 -0.984 + 6105TIP3 H124624 3.599 -1.444 -0.908 + 6105TIP3 H224625 3.499 -1.512 -0.997 + 6106TIP3 OH224626 4.243 -0.928 -1.808 + 6106TIP3 H124627 4.299 -0.881 -1.745 + 6106TIP3 H224628 4.195 -0.857 -1.851 + 6107TIP3 OH224629 3.713 -0.923 -0.816 + 6107TIP3 H124630 3.702 -0.915 -0.912 + 6107TIP3 H224631 3.623 -0.946 -0.786 + 6108TIP3 OH224632 3.652 -1.579 -1.977 + 6108TIP3 H124633 3.630 -1.502 -2.033 + 6108TIP3 H224634 3.582 -1.641 -2.000 + 6109TIP3 OH224635 3.259 -1.307 -1.109 + 6109TIP3 H124636 3.210 -1.296 -1.193 + 6109TIP3 H224637 3.261 -1.403 -1.100 + 6110TIP3 OH224638 3.300 -0.999 -1.437 + 6110TIP3 H124639 3.373 -1.053 -1.402 + 6110TIP3 H224640 3.232 -1.009 -1.368 + 6111TIP3 OH224641 4.175 -1.039 -0.941 + 6111TIP3 H124642 4.179 -0.946 -0.913 + 6111TIP3 H224643 4.081 -1.062 -0.928 + 6112TIP3 OH224644 4.169 -0.641 -1.967 + 6112TIP3 H124645 4.223 -0.654 -2.045 + 6112TIP3 H224646 4.216 -0.570 -1.921 + 6113TIP3 OH224647 3.572 -0.738 -1.793 + 6113TIP3 H124648 3.590 -0.783 -1.708 + 6113TIP3 H224649 3.488 -0.779 -1.819 + 6114TIP3 OH224650 3.472 -1.156 -0.979 + 6114TIP3 H124651 3.500 -1.207 -0.901 + 6114TIP3 H224652 3.398 -1.208 -1.015 + 6115TIP3 OH224653 3.798 -2.308 -1.407 + 6115TIP3 H124654 3.714 -2.318 -1.455 + 6115TIP3 H224655 3.773 -2.237 -1.346 + 6116TIP3 OH224656 4.233 -2.373 -0.977 + 6116TIP3 H124657 4.244 -2.446 -0.914 + 6116TIP3 H224658 4.141 -2.389 -1.008 + 6117TIP3 OH224659 4.235 -2.095 -2.300 + 6117TIP3 H124660 4.167 -2.110 -2.233 + 6117TIP3 H224661 4.205 -2.156 -2.369 + 6118TIP3 OH224662 3.782 -1.828 -1.260 + 6118TIP3 H124663 3.715 -1.819 -1.190 + 6118TIP3 H224664 3.786 -1.737 -1.298 + 6119TIP3 OH224665 3.775 -1.822 -1.774 + 6119TIP3 H124666 3.678 -1.830 -1.788 + 6119TIP3 H224667 3.807 -1.840 -1.865 + 6120TIP3 OH224668 4.298 -1.804 -1.894 + 6120TIP3 H124669 4.268 -1.711 -1.895 + 6120TIP3 H224670 4.314 -1.819 -1.987 + 6121TIP3 OH224671 4.254 -1.738 -0.739 + 6121TIP3 H124672 4.194 -1.816 -0.729 + 6121TIP3 H224673 4.339 -1.787 -0.742 + 6122TIP3 OH224674 3.523 -1.814 -1.081 + 6122TIP3 H124675 3.537 -1.781 -0.991 + 6122TIP3 H224676 3.480 -1.900 -1.063 + 6123TIP3 OH224677 3.864 -2.051 -2.422 + 6123TIP3 H124678 3.824 -2.085 -2.340 + 6123TIP3 H224679 3.787 -2.037 -2.478 + 6124TIP3 OH224680 3.203 -2.062 -1.719 + 6124TIP3 H124681 3.258 -2.068 -1.638 + 6124TIP3 H224682 3.254 -2.112 -1.784 + 6125TIP3 OH224683 3.355 -2.026 -2.148 + 6125TIP3 H124684 3.414 -1.975 -2.208 + 6125TIP3 H224685 3.290 -1.957 -2.123 + 6126TIP3 OH224686 4.353 -1.689 -1.134 + 6126TIP3 H124687 4.379 -1.753 -1.204 + 6126TIP3 H224688 4.271 -1.729 -1.104 + 6127TIP3 OH224689 4.045 -2.088 -1.668 + 6127TIP3 H124690 3.952 -2.075 -1.645 + 6127TIP3 H224691 4.087 -2.059 -1.585 + 6128TIP3 OH224692 3.510 -1.939 -1.805 + 6128TIP3 H124693 3.427 -1.913 -1.848 + 6128TIP3 H224694 3.536 -2.020 -1.853 + 6129TIP3 OH224695 3.866 -1.910 -2.041 + 6129TIP3 H124696 3.962 -1.901 -2.030 + 6129TIP3 H224697 3.843 -1.844 -2.108 + 6130TIP3 OH224698 3.719 -1.782 -2.261 + 6130TIP3 H124699 3.661 -1.810 -2.333 + 6130TIP3 H224700 3.802 -1.765 -2.309 + 6131TIP3 OH224701 3.586 -1.310 -0.758 + 6131TIP3 H124702 3.648 -1.294 -0.685 + 6131TIP3 H224703 3.502 -1.312 -0.708 + 6132TIP3 OH224704 4.141 -1.852 -1.533 + 6132TIP3 H124705 4.223 -1.885 -1.572 + 6132TIP3 H224706 4.161 -1.857 -1.438 + 6133TIP3 OH224707 3.682 -2.168 -1.876 + 6133TIP3 H124708 3.625 -2.244 -1.856 + 6133TIP3 H224709 3.764 -2.210 -1.906 + 6134TIP3 OH224710 4.050 -1.973 -1.261 + 6134TIP3 H124711 3.978 -1.909 -1.275 + 6134TIP3 H224712 4.099 -1.933 -1.187 + 6135TIP3 OH224713 4.072 -1.342 -2.069 + 6135TIP3 H124714 3.993 -1.385 -2.106 + 6135TIP3 H224715 4.048 -1.329 -1.974 + 6136TIP3 OH224716 4.213 -1.337 -0.944 + 6136TIP3 H124717 4.180 -1.347 -0.854 + 6136TIP3 H224718 4.214 -1.241 -0.958 + 6137TIP3 OH224719 3.581 -1.384 -1.492 + 6137TIP3 H124720 3.636 -1.397 -1.571 + 6137TIP3 H224721 3.583 -1.471 -1.451 + 6138TIP3 OH224722 4.286 -1.201 -2.170 + 6138TIP3 H124723 4.261 -1.109 -2.146 + 6138TIP3 H224724 4.208 -1.250 -2.138 + 6139TIP3 OH224725 3.307 -1.558 -0.966 + 6139TIP3 H124726 3.316 -1.604 -0.880 + 6139TIP3 H224727 3.244 -1.613 -1.015 + 6140TIP3 OH224728 4.002 -1.606 -0.761 + 6140TIP3 H124729 3.961 -1.639 -0.843 + 6140TIP3 H224730 4.095 -1.633 -0.774 + 6141TIP3 OH224731 3.815 -1.057 -1.768 + 6141TIP3 H124732 3.858 -0.971 -1.780 + 6141TIP3 H224733 3.723 -1.036 -1.788 + 6142TIP3 OH224734 3.410 -1.564 -2.316 + 6142TIP3 H124735 3.470 -1.503 -2.270 + 6142TIP3 H224736 3.326 -1.547 -2.269 + 6143TIP3 OH224737 3.995 -1.289 -1.806 + 6143TIP3 H124738 3.971 -1.197 -1.791 + 6143TIP3 H224739 3.921 -1.336 -1.763 + 6144TIP3 OH224740 4.020 -0.857 -1.165 + 6144TIP3 H124741 4.076 -0.786 -1.201 + 6144TIP3 H224742 4.086 -0.910 -1.118 + 6145TIP3 OH224743 3.859 -0.767 -1.845 + 6145TIP3 H124744 3.764 -0.750 -1.836 + 6145TIP3 H224745 3.897 -0.680 -1.823 + 6146TIP3 OH224746 3.435 -2.091 -1.001 + 6146TIP3 H124747 3.345 -2.066 -1.031 + 6146TIP3 H224748 3.418 -2.181 -0.968 + 6147TIP3 OH224749 3.417 -0.913 -1.162 + 6147TIP3 H124750 3.436 -1.007 -1.149 + 6147TIP3 H224751 3.438 -0.877 -1.075 + 6148TIP3 OH224752 3.987 -1.047 -2.465 + 6148TIP3 H124753 4.033 -1.120 -2.511 + 6148TIP3 H224754 3.959 -1.092 -2.384 + 6149TIP3 OH224755 3.880 -1.106 -2.183 + 6149TIP3 H124756 3.936 -1.155 -2.121 + 6149TIP3 H224757 3.898 -1.013 -2.158 + 6150TIP3 OH224758 3.562 -1.357 -2.155 + 6150TIP3 H124759 3.493 -1.316 -2.099 + 6150TIP3 H224760 3.616 -1.279 -2.179 + 6151TIP3 OH224761 4.339 -2.064 -1.095 + 6151TIP3 H124762 4.380 -2.145 -1.063 + 6151TIP3 H224763 4.276 -2.098 -1.161 + 6152TIP3 OH224764 4.163 -0.942 -2.137 + 6152TIP3 H124765 4.090 -0.882 -2.116 + 6152TIP3 H224766 4.224 -0.885 -2.185 + 6153TIP3 OH224767 4.115 -1.995 -1.928 + 6153TIP3 H124768 4.188 -1.932 -1.905 + 6153TIP3 H224769 4.081 -2.012 -1.838 + 6154TIP3 OH224770 4.160 -1.883 -1.008 + 6154TIP3 H124771 4.185 -1.824 -0.936 + 6154TIP3 H224772 4.236 -1.944 -1.014 + 6155TIP3 OH224773 4.195 -2.271 -1.810 + 6155TIP3 H124774 4.165 -2.192 -1.759 + 6155TIP3 H224775 4.272 -2.234 -1.857 + 6156TIP3 OH224776 3.889 -0.830 -2.130 + 6156TIP3 H124777 3.891 -0.747 -2.182 + 6156TIP3 H224778 3.882 -0.797 -2.039 + 6157TIP3 OH224779 3.769 -2.161 -2.187 + 6157TIP3 H124780 3.768 -2.087 -2.123 + 6157TIP3 H224781 3.849 -2.210 -2.159 + 6158TIP3 OH224782 3.609 -1.073 -2.280 + 6158TIP3 H124783 3.680 -1.024 -2.236 + 6158TIP3 H224784 3.662 -1.126 -2.341 + 6159TIP3 OH224785 3.424 -1.855 -2.364 + 6159TIP3 H124786 3.440 -1.761 -2.345 + 6159TIP3 H224787 3.335 -1.854 -2.398 + 6160TIP3 OH224788 3.521 -2.356 -1.484 + 6160TIP3 H124789 3.493 -2.359 -1.577 + 6160TIP3 H224790 3.481 -2.439 -1.447 + 6161TIP3 OH224791 3.402 -1.009 -1.863 + 6161TIP3 H124792 3.332 -0.956 -1.824 + 6161TIP3 H224793 3.441 -0.948 -1.928 + 6162TIP3 OH224794 3.342 -0.707 -0.737 + 6162TIP3 H124795 3.389 -0.736 -0.657 + 6162TIP3 H224796 3.293 -0.786 -0.764 + 6163TIP3 OH224797 3.811 -0.813 -0.560 + 6163TIP3 H124798 3.885 -0.874 -0.548 + 6163TIP3 H224799 3.787 -0.830 -0.653 + 6164TIP3 OH224800 4.231 -0.881 -2.443 + 6164TIP3 H124801 4.153 -0.938 -2.432 + 6164TIP3 H224802 4.300 -0.950 -2.443 + 6165TIP3 OH224803 3.342 -1.349 -0.630 + 6165TIP3 H124804 3.350 -1.439 -0.667 + 6165TIP3 H224805 3.265 -1.317 -0.681 + 6166TIP3 OH224806 3.760 -1.308 -2.430 + 6166TIP3 H124807 3.782 -1.366 -2.355 + 6166TIP3 H224808 3.847 -1.307 -2.476 + 6167TIP3 OH224809 4.007 -1.330 -0.698 + 6167TIP3 H124810 3.978 -1.296 -0.785 + 6167TIP3 H224811 4.015 -1.426 -0.715 + 6168TIP3 OH224812 4.248 -1.170 -2.469 + 6168TIP3 H124813 4.288 -1.158 -2.381 + 6168TIP3 H224814 4.253 -1.266 -2.478 + 6169TIP3 OH224815 3.428 -1.632 -0.712 + 6169TIP3 H124816 3.496 -1.701 -0.711 + 6169TIP3 H224817 3.415 -1.617 -0.617 + 6170TIP3 OH224818 3.868 -1.500 -2.198 + 6170TIP3 H124819 3.809 -1.552 -2.142 + 6170TIP3 H224820 3.902 -1.568 -2.259 + 6171TIP3 OH224821 3.800 -1.714 -0.961 + 6171TIP3 H124822 3.736 -1.640 -0.954 + 6171TIP3 H224823 3.849 -1.690 -1.041 + 6172TIP3 OH224824 3.979 -1.702 -2.368 + 6172TIP3 H124825 3.971 -1.690 -2.464 + 6172TIP3 H224826 4.074 -1.686 -2.355 + 6173TIP3 OH224827 4.285 -1.469 -0.598 + 6173TIP3 H124828 4.352 -1.499 -0.660 + 6173TIP3 H224829 4.267 -1.553 -0.552 + 6174TIP3 OH224830 3.858 -1.991 -0.854 + 6174TIP3 H124831 3.861 -2.058 -0.924 + 6174TIP3 H224832 3.840 -1.910 -0.905 + 6175TIP3 OH224833 3.887 -2.148 -1.112 + 6175TIP3 H124834 3.935 -2.090 -1.175 + 6175TIP3 H224835 3.795 -2.145 -1.146 + 6176TIP3 OH224836 4.072 -1.607 -1.079 + 6176TIP3 H124837 4.135 -1.607 -1.152 + 6176TIP3 H224838 4.028 -1.522 -1.092 + 6177TIP3 OH224839 3.682 -1.813 -0.667 + 6177TIP3 H124840 3.622 -1.890 -0.676 + 6177TIP3 H224841 3.755 -1.839 -0.726 + 6178TIP3 OH224842 3.971 -2.410 -1.076 + 6178TIP3 H124843 3.947 -2.316 -1.093 + 6178TIP3 H224844 3.904 -2.456 -1.130 + 6179TIP3 OH224845 4.103 -1.963 -0.699 + 6179TIP3 H124846 4.061 -1.993 -0.617 + 6179TIP3 H224847 4.032 -1.984 -0.763 + 6180TIP3 OH224848 3.543 -2.063 -0.694 + 6180TIP3 H124849 3.530 -2.133 -0.761 + 6180TIP3 H224850 3.516 -2.111 -0.613 + 6181TIP3 OH224851 3.946 -2.463 -0.793 + 6181TIP3 H124852 4.005 -2.539 -0.791 + 6181TIP3 H224853 3.939 -2.447 -0.889 + 6182TIP3 OH224854 4.036 -2.282 -0.600 + 6182TIP3 H124855 4.009 -2.338 -0.675 + 6182TIP3 H224856 3.969 -2.211 -0.604 + 6183TIP3 OH224857 3.955 -0.576 -2.258 + 6183TIP3 H124858 4.052 -0.570 -2.249 + 6183TIP3 H224859 3.941 -0.534 -2.343 + 6184TIP3 OH224860 3.329 -1.137 -2.311 + 6184TIP3 H124861 3.425 -1.120 -2.295 + 6184TIP3 H224862 3.333 -1.213 -2.373 + 6185TIP3 OH224863 3.234 -0.615 -1.833 + 6185TIP3 H124864 3.161 -0.653 -1.885 + 6185TIP3 H224865 3.244 -0.683 -1.763 + 6186TIP3 OH224866 3.273 -0.812 -1.640 + 6186TIP3 H124867 3.251 -0.901 -1.605 + 6186TIP3 H224868 3.302 -0.775 -1.555 + 6187TIP3 OH224869 3.268 -1.478 -1.390 + 6187TIP3 H124870 3.282 -1.450 -1.481 + 6187TIP3 H224871 3.360 -1.482 -1.356 + 6188TIP3 OH224872 3.275 -1.942 -0.746 + 6188TIP3 H124873 3.366 -1.974 -0.755 + 6188TIP3 H224874 3.225 -2.026 -0.749 + 6189TIP3 OH224875 3.349 -2.111 -1.479 + 6189TIP3 H124876 3.391 -2.197 -1.463 + 6189TIP3 H224877 3.414 -2.051 -1.439 + 6190TIP3 OH224878 3.208 -1.846 -1.368 + 6190TIP3 H124879 3.262 -1.841 -1.449 + 6190TIP3 H224880 3.235 -1.766 -1.322 + 6191TIP3 OH224881 3.254 -2.217 -1.972 + 6191TIP3 H124882 3.158 -2.204 -1.980 + 6191TIP3 H224883 3.291 -2.147 -2.030 + 6192TIP3 OH224884 3.257 -2.307 -1.140 + 6192TIP3 H124885 3.191 -2.363 -1.098 + 6192TIP3 H224886 3.206 -2.273 -1.216 + 6193TIP3 OH224887 3.455 -1.013 -0.677 + 6193TIP3 H124888 3.386 -1.010 -0.746 + 6193TIP3 H224889 3.403 -1.011 -0.596 + 6194TIP3 OH224890 3.742 -0.911 -1.110 + 6194TIP3 H124891 3.707 -0.828 -1.149 + 6194TIP3 H224892 3.837 -0.900 -1.131 + 6195TIP3 OH224893 4.219 -0.749 -0.825 + 6195TIP3 H124894 4.205 -0.785 -0.736 + 6195TIP3 H224895 4.314 -0.726 -0.819 + 6196TIP3 OH224896 3.480 -0.614 -1.079 + 6196TIP3 H124897 3.417 -0.559 -1.128 + 6196TIP3 H224898 3.444 -0.606 -0.990 + 6197TIP3 OH224899 3.731 -0.637 -1.221 + 6197TIP3 H124900 3.643 -0.623 -1.180 + 6197TIP3 H224901 3.731 -0.571 -1.292 + 6198TIP3 OH224902 4.196 -0.662 -1.267 + 6198TIP3 H124903 4.178 -0.616 -1.351 + 6198TIP3 H224904 4.257 -0.603 -1.223 + 6199TIP3 OH224905 3.440 -0.729 -1.382 + 6199TIP3 H124906 3.426 -0.787 -1.304 + 6199TIP3 H224907 3.505 -0.784 -1.431 + 6200TIP3 OH224908 3.636 -0.863 -1.546 + 6200TIP3 H124909 3.617 -0.954 -1.515 + 6200TIP3 H224910 3.726 -0.848 -1.510 + 6201TIP3 OH224911 3.914 -0.812 -1.454 + 6201TIP3 H124912 3.934 -0.904 -1.477 + 6201TIP3 H224913 3.919 -0.817 -1.357 + 6202TIP3 OH224914 4.270 -2.266 -1.517 + 6202TIP3 H124915 4.182 -2.307 -1.507 + 6202TIP3 H224916 4.293 -2.294 -1.606 + 6203TIP3 OH224917 3.483 -2.354 -1.773 + 6203TIP3 H124918 3.394 -2.370 -1.812 + 6203TIP3 H224919 3.523 -2.443 -1.779 + 6204TIP3 OH224920 3.351 -2.401 -2.187 + 6204TIP3 H124921 3.412 -2.338 -2.229 + 6204TIP3 H224922 3.322 -2.352 -2.108 + 6205TIP3 OH224923 3.933 -2.374 -1.780 + 6205TIP3 H124924 4.025 -2.343 -1.786 + 6205TIP3 H224925 3.923 -2.381 -1.684 + 6206TIP3 OH224926 3.382 -0.810 -2.066 + 6206TIP3 H124927 3.315 -0.820 -2.136 + 6206TIP3 H224928 3.379 -0.715 -2.051 + 6207TIP3 OH224929 3.533 -2.225 -2.339 + 6207TIP3 H124930 3.596 -2.281 -2.387 + 6207TIP3 H224931 3.592 -2.190 -2.268 + 6208TIP3 OH224932 4.063 -2.211 -2.082 + 6208TIP3 H124933 4.062 -2.272 -2.007 + 6208TIP3 H224934 4.061 -2.125 -2.035 + 6209TIP3 OH224935 4.271 -0.621 -2.279 + 6209TIP3 H124936 4.364 -0.621 -2.249 + 6209TIP3 H224937 4.264 -0.706 -2.325 + 6210TIP3 OH224938 3.459 -2.328 -0.806 + 6210TIP3 H124939 3.419 -2.414 -0.781 + 6210TIP3 H224940 3.553 -2.346 -0.792 + 6211TIP3 OH224941 3.704 -2.392 -0.635 + 6211TIP3 H124942 3.783 -2.430 -0.679 + 6211TIP3 H224943 3.661 -2.472 -0.601 + 6212TIP3 OH224944 3.522 -0.718 -2.386 + 6212TIP3 H124945 3.500 -0.691 -2.295 + 6212TIP3 H224946 3.600 -0.774 -2.372 + 6213TIP3 OH224947 -3.161 0.403 -1.739 + 6213TIP3 H124948 -3.158 0.499 -1.729 + 6213TIP3 H224949 -3.235 0.390 -1.799 + 6214TIP3 OH224950 -3.281 0.349 -1.433 + 6214TIP3 H124951 -3.278 0.291 -1.356 + 6214TIP3 H224952 -3.303 0.287 -1.504 + 6215TIP3 OH224953 -4.028 0.308 -1.270 + 6215TIP3 H124954 -4.033 0.234 -1.207 + 6215TIP3 H224955 -3.959 0.362 -1.230 + 6216TIP3 OH224956 -2.910 0.614 -1.612 + 6216TIP3 H124957 -2.945 0.542 -1.559 + 6216TIP3 H224958 -2.883 0.677 -1.543 + 6217TIP3 OH224959 -3.960 0.770 -1.421 + 6217TIP3 H124960 -3.988 0.679 -1.446 + 6217TIP3 H224961 -3.867 0.754 -1.398 + 6218TIP3 OH224962 -4.221 0.146 -2.014 + 6218TIP3 H124963 -4.253 0.219 -1.960 + 6218TIP3 H224964 -4.288 0.078 -1.994 + 6219TIP3 OH224965 -4.206 0.344 -1.715 + 6219TIP3 H124966 -4.187 0.282 -1.642 + 6219TIP3 H224967 -4.120 0.386 -1.729 + 6220TIP3 OH224968 -3.198 1.161 -1.545 + 6220TIP3 H124969 -3.143 1.088 -1.578 + 6220TIP3 H224970 -3.229 1.125 -1.461 + 6221TIP3 OH224971 -3.425 0.601 -1.378 + 6221TIP3 H124972 -3.394 0.526 -1.433 + 6221TIP3 H224973 -3.344 0.616 -1.327 + 6222TIP3 OH224974 -3.095 0.034 -1.328 + 6222TIP3 H124975 -3.084 -0.062 -1.319 + 6222TIP3 H224976 -3.105 0.044 -1.424 + 6223TIP3 OH224977 -3.800 -0.167 -1.619 + 6223TIP3 H124978 -3.786 -0.082 -1.666 + 6223TIP3 H224979 -3.833 -0.222 -1.693 + 6224TIP3 OH224980 -3.015 -0.149 -1.788 + 6224TIP3 H124981 -2.955 -0.190 -1.722 + 6224TIP3 H224982 -2.952 -0.099 -1.842 + 6225TIP3 OH224983 -4.138 0.108 -1.567 + 6225TIP3 H124984 -4.080 0.067 -1.501 + 6225TIP3 H224985 -4.118 0.052 -1.645 + 6226TIP3 OH224986 -3.593 0.246 -1.622 + 6226TIP3 H124987 -3.522 0.191 -1.584 + 6226TIP3 H224988 -3.643 0.178 -1.672 + 6227TIP3 OH224989 -3.918 -0.283 -1.201 + 6227TIP3 H124990 -3.965 -0.244 -1.276 + 6227TIP3 H224991 -3.981 -0.266 -1.129 + 6228TIP3 OH224992 -3.166 0.694 -1.866 + 6228TIP3 H124993 -3.206 0.662 -1.947 + 6228TIP3 H224994 -3.217 0.775 -1.847 + 6229TIP3 OH224995 -3.625 0.501 -1.191 + 6229TIP3 H124996 -3.699 0.561 -1.165 + 6229TIP3 H224997 -3.563 0.563 -1.234 + 6230TIP3 OH224998 -2.825 -0.215 -1.572 + 6230TIP3 H124999 -2.874 -0.270 -1.509 + 6230TIP3 H225000 -2.775 -0.155 -1.514 + 6231TIP3 OH225001 -3.958 -0.077 -1.413 + 6231TIP3 H125002 -3.892 -0.023 -1.365 + 6231TIP3 H225003 -3.901 -0.117 -1.482 + 6232TIP3 OH225004 -3.828 0.687 -1.120 + 6232TIP3 H125005 -3.830 0.781 -1.148 + 6232TIP3 H225006 -3.915 0.680 -1.077 + 6233TIP3 OH225007 -4.182 0.654 -2.029 + 6233TIP3 H125008 -4.265 0.670 -2.079 + 6233TIP3 H225009 -4.192 0.712 -1.951 + 6234TIP3 OH225010 -2.857 0.799 -1.392 + 6234TIP3 H125011 -2.952 0.816 -1.378 + 6234TIP3 H225012 -2.825 0.890 -1.408 + 6235TIP3 OH225013 -2.790 -0.293 -1.215 + 6235TIP3 H125014 -2.877 -0.270 -1.250 + 6235TIP3 H225015 -2.731 -0.276 -1.290 + 6236TIP3 OH225016 -3.503 -0.539 -1.492 + 6236TIP3 H125017 -3.528 -0.633 -1.500 + 6236TIP3 H225018 -3.587 -0.500 -1.457 + 6237TIP3 OH225019 -3.022 0.998 -1.695 + 6237TIP3 H125020 -2.976 0.916 -1.724 + 6237TIP3 H225021 -2.954 1.065 -1.708 + 6238TIP3 OH225022 -2.876 0.787 -1.834 + 6238TIP3 H125023 -2.924 0.738 -1.903 + 6238TIP3 H225024 -2.880 0.721 -1.762 + 6239TIP3 OH225025 -2.773 0.678 -0.977 + 6239TIP3 H125026 -2.738 0.606 -1.032 + 6239TIP3 H225027 -2.716 0.752 -1.001 + 6240TIP3 OH225028 -3.295 0.359 -2.015 + 6240TIP3 H125029 -3.361 0.416 -2.059 + 6240TIP3 H225030 -3.223 0.358 -2.080 + 6241TIP3 OH225031 -3.260 0.173 -2.318 + 6241TIP3 H125032 -3.188 0.202 -2.260 + 6241TIP3 H225033 -3.217 0.105 -2.371 + 6242TIP3 OH225034 -2.592 0.287 -1.251 + 6242TIP3 H125035 -2.653 0.362 -1.237 + 6242TIP3 H225036 -2.514 0.332 -1.288 + 6243TIP3 OH225037 -2.947 0.356 -1.910 + 6243TIP3 H125038 -3.011 0.374 -1.838 + 6243TIP3 H225039 -2.878 0.305 -1.861 + 6244TIP3 OH225040 -2.954 0.204 -1.026 + 6244TIP3 H125041 -2.957 0.280 -0.966 + 6244TIP3 H225042 -3.014 0.236 -1.095 + 6245TIP3 OH225043 -3.781 0.435 -1.732 + 6245TIP3 H125044 -3.815 0.389 -1.812 + 6245TIP3 H225045 -3.719 0.370 -1.696 + 6246TIP3 OH225046 -3.645 0.776 -1.457 + 6246TIP3 H125047 -3.658 0.734 -1.543 + 6246TIP3 H225048 -3.567 0.728 -1.424 + 6247TIP3 OH225049 -3.729 0.319 -1.384 + 6247TIP3 H125050 -3.669 0.318 -1.461 + 6247TIP3 H225051 -3.686 0.382 -1.323 + 6248TIP3 OH225052 -3.138 0.871 -1.322 + 6248TIP3 H125053 -3.127 0.932 -1.248 + 6248TIP3 H225054 -3.155 0.785 -1.278 + 6249TIP3 OH225055 -3.640 0.749 -0.900 + 6249TIP3 H125056 -3.693 0.810 -0.846 + 6249TIP3 H225057 -3.706 0.720 -0.966 + 6250TIP3 OH225058 -3.050 0.303 -2.163 + 6250TIP3 H125059 -3.001 0.325 -2.080 + 6250TIP3 H225060 -2.997 0.354 -2.230 + 6251TIP3 OH225061 -3.956 0.384 -0.983 + 6251TIP3 H125062 -3.948 0.443 -0.906 + 6251TIP3 H225063 -4.053 0.377 -0.991 + 6252TIP3 OH225064 -3.302 0.963 -1.808 + 6252TIP3 H125065 -3.256 0.988 -1.727 + 6252TIP3 H225066 -3.354 1.042 -1.830 + 6253TIP3 OH225067 -3.836 0.969 -0.814 + 6253TIP3 H125068 -3.842 0.966 -0.911 + 6253TIP3 H225069 -3.926 0.945 -0.785 + 6254TIP3 OH225070 -2.701 -0.530 -2.210 + 6254TIP3 H125071 -2.790 -0.518 -2.174 + 6254TIP3 H225072 -2.673 -0.437 -2.223 + 6255TIP3 OH225073 -3.892 0.308 -1.977 + 6255TIP3 H125074 -3.917 0.383 -2.033 + 6255TIP3 H225075 -3.959 0.242 -2.002 + 6256TIP3 OH225076 -2.567 0.889 -2.360 + 6256TIP3 H125077 -2.551 0.982 -2.334 + 6256TIP3 H225078 -2.480 0.848 -2.342 + 6257TIP3 OH225079 -4.272 0.591 -1.125 + 6257TIP3 H125080 -4.287 0.555 -1.214 + 6257TIP3 H225081 -4.303 0.517 -1.070 + 6258TIP3 OH225082 -4.280 0.874 -1.429 + 6258TIP3 H125083 -4.199 0.826 -1.410 + 6258TIP3 H225084 -4.299 0.917 -1.345 + 6259TIP3 OH225085 -3.378 0.852 -0.956 + 6259TIP3 H125086 -3.371 0.933 -0.902 + 6259TIP3 H225087 -3.468 0.821 -0.931 + 6260TIP3 OH225088 -3.353 1.235 -1.956 + 6260TIP3 H125089 -3.349 1.242 -2.053 + 6260TIP3 H225090 -3.342 1.327 -1.927 + 6261TIP3 OH225091 -3.978 1.147 -1.792 + 6261TIP3 H125092 -3.953 1.105 -1.707 + 6261TIP3 H225093 -4.056 1.092 -1.814 + 6262TIP3 OH225094 -3.020 1.175 -2.241 + 6262TIP3 H125095 -2.961 1.110 -2.284 + 6262TIP3 H225096 -3.025 1.139 -2.150 + 6263TIP3 OH225097 -3.080 1.119 -1.958 + 6263TIP3 H125098 -3.176 1.128 -1.943 + 6263TIP3 H225099 -3.061 1.046 -1.898 + 6264TIP3 OH225100 -2.765 0.071 -0.772 + 6264TIP3 H125101 -2.791 0.105 -0.858 + 6264TIP3 H225102 -2.723 -0.013 -0.797 + 6265TIP3 OH225103 -4.071 0.730 -0.977 + 6265TIP3 H125104 -4.042 0.674 -0.902 + 6265TIP3 H225105 -4.146 0.679 -1.015 + 6266TIP3 OH225106 -3.747 -0.423 -1.403 + 6266TIP3 H125107 -3.829 -0.432 -1.455 + 6266TIP3 H225108 -3.772 -0.350 -1.345 + 6267TIP3 OH225109 -3.311 -0.464 -1.040 + 6267TIP3 H125110 -3.259 -0.516 -0.975 + 6267TIP3 H225111 -3.401 -0.498 -1.027 + 6268TIP3 OH225112 -2.978 -0.091 -0.986 + 6268TIP3 H125113 -3.035 -0.109 -0.909 + 6268TIP3 H225114 -2.988 0.005 -0.999 + 6269TIP3 OH225115 -2.891 0.419 -2.355 + 6269TIP3 H125116 -2.914 0.395 -2.448 + 6269TIP3 H225117 -2.795 0.429 -2.364 + 6270TIP3 OH225118 -3.342 -0.208 -2.312 + 6270TIP3 H125119 -3.381 -0.234 -2.226 + 6270TIP3 H225120 -3.372 -0.282 -2.368 + 6271TIP3 OH225121 -3.761 0.056 -1.264 + 6271TIP3 H125122 -3.818 0.067 -1.186 + 6271TIP3 H225123 -3.756 0.148 -1.298 + 6272TIP3 OH225124 -3.770 0.063 -1.775 + 6272TIP3 H125125 -3.866 0.054 -1.793 + 6272TIP3 H225126 -3.734 0.044 -1.864 + 6273TIP3 OH225127 -3.208 0.120 -1.895 + 6273TIP3 H125128 -3.248 0.202 -1.931 + 6273TIP3 H225129 -3.136 0.105 -1.959 + 6274TIP3 OH225130 -3.287 0.140 -0.760 + 6274TIP3 H125131 -3.338 0.064 -0.726 + 6274TIP3 H225132 -3.199 0.124 -0.721 + 6275TIP3 OH225133 -3.119 0.060 -1.617 + 6275TIP3 H125134 -3.148 0.119 -1.690 + 6275TIP3 H225135 -3.099 -0.021 -1.670 + 6276TIP3 OH225136 -4.028 0.074 -1.078 + 6276TIP3 H125137 -3.995 0.108 -0.994 + 6276TIP3 H225138 -4.052 -0.016 -1.054 + 6277TIP3 OH225139 -3.692 -0.155 -2.415 + 6277TIP3 H125140 -3.724 -0.202 -2.335 + 6277TIP3 H225141 -3.766 -0.166 -2.476 + 6278TIP3 OH225142 -4.313 -0.163 -1.717 + 6278TIP3 H125143 -4.307 -0.200 -1.627 + 6278TIP3 H225144 -4.288 -0.237 -1.773 + 6279TIP3 OH225145 -4.205 -0.122 -2.132 + 6279TIP3 H125146 -4.146 -0.102 -2.206 + 6279TIP3 H225147 -4.290 -0.086 -2.158 + 6280TIP3 OH225148 -3.209 0.228 -1.171 + 6280TIP3 H125149 -3.165 0.155 -1.221 + 6280TIP3 H225150 -3.242 0.180 -1.094 + 6281TIP3 OH225151 -3.490 -0.177 -1.671 + 6281TIP3 H125152 -3.584 -0.184 -1.650 + 6281TIP3 H225153 -3.449 -0.197 -1.585 + 6282TIP3 OH225154 -4.038 -0.049 -1.813 + 6282TIP3 H125155 -4.120 -0.048 -1.864 + 6282TIP3 H225156 -4.001 -0.135 -1.841 + 6283TIP3 OH225157 -3.671 -0.018 -2.033 + 6283TIP3 H125158 -3.574 -0.017 -2.028 + 6283TIP3 H225159 -3.691 0.042 -2.107 + 6284TIP3 OH225160 -3.044 -0.269 -1.365 + 6284TIP3 H125161 -3.106 -0.265 -1.290 + 6284TIP3 H225162 -3.103 -0.302 -1.434 + 6285TIP3 OH225163 -3.829 0.112 -2.262 + 6285TIP3 H125164 -3.880 0.066 -2.331 + 6285TIP3 H225165 -3.743 0.124 -2.306 + 6286TIP3 OH225166 -2.738 1.308 -0.716 + 6286TIP3 H125167 -2.709 1.343 -0.802 + 6286TIP3 H225168 -2.674 1.346 -0.655 + 6287TIP3 OH225169 -3.956 0.578 -0.764 + 6287TIP3 H125170 -3.890 0.579 -0.691 + 6287TIP3 H225171 -4.037 0.589 -0.710 + 6288TIP3 OH225172 -3.389 0.076 -1.489 + 6288TIP3 H125173 -3.316 0.033 -1.536 + 6288TIP3 H225174 -3.405 0.015 -1.415 + 6289TIP3 OH225175 -3.873 -0.290 -1.862 + 6289TIP3 H125176 -3.924 -0.372 -1.870 + 6289TIP3 H225177 -3.793 -0.312 -1.912 + 6290TIP3 OH225178 -3.490 -0.078 -1.265 + 6290TIP3 H125179 -3.568 -0.020 -1.264 + 6290TIP3 H225180 -3.442 -0.052 -1.183 + 6291TIP3 OH225181 -3.482 0.566 -2.077 + 6291TIP3 H125182 -3.556 0.511 -2.110 + 6291TIP3 H225183 -3.497 0.567 -1.979 + 6292TIP3 OH225184 -2.780 0.497 -1.206 + 6292TIP3 H125185 -2.722 0.551 -1.263 + 6292TIP3 H225186 -2.856 0.480 -1.264 + 6293TIP3 OH225187 -3.072 -0.147 -2.293 + 6293TIP3 H125188 -3.169 -0.143 -2.302 + 6293TIP3 H225189 -3.049 -0.070 -2.238 + 6294TIP3 OH225190 -3.313 0.564 -0.944 + 6294TIP3 H125191 -3.344 0.530 -0.859 + 6294TIP3 H225192 -3.346 0.655 -0.942 + 6295TIP3 OH225193 -2.990 0.030 -2.084 + 6295TIP3 H125194 -2.900 0.011 -2.051 + 6295TIP3 H225195 -2.977 0.112 -2.133 + 6296TIP3 OH225196 -3.977 0.492 -1.505 + 6296TIP3 H125197 -3.908 0.484 -1.574 + 6296TIP3 H225198 -3.962 0.412 -1.452 + 6297TIP3 OH225199 -3.239 0.700 -2.186 + 6297TIP3 H125200 -3.263 0.783 -2.141 + 6297TIP3 H225201 -3.310 0.641 -2.156 + 6298TIP3 OH225202 -4.240 0.346 -0.939 + 6298TIP3 H125203 -4.231 0.282 -0.867 + 6298TIP3 H225204 -4.288 0.293 -1.007 + 6299TIP3 OH225205 -3.540 0.279 -0.768 + 6299TIP3 H125206 -3.575 0.253 -0.855 + 6299TIP3 H225207 -3.447 0.251 -0.776 + 6300TIP3 OH225208 -3.079 0.843 -0.999 + 6300TIP3 H125209 -3.175 0.836 -1.006 + 6300TIP3 H225210 -3.066 0.846 -0.903 + 6301TIP3 OH225211 -2.708 0.891 -2.103 + 6301TIP3 H125212 -2.747 0.814 -2.057 + 6301TIP3 H225213 -2.663 0.849 -2.178 + 6302TIP3 OH225214 -2.988 0.414 -1.385 + 6302TIP3 H125215 -3.082 0.396 -1.403 + 6302TIP3 H225216 -2.945 0.337 -1.426 + 6303TIP3 OH225217 -3.727 0.829 -1.768 + 6303TIP3 H125218 -3.685 0.916 -1.778 + 6303TIP3 H225219 -3.819 0.848 -1.789 + 6304TIP3 OH225220 -4.151 0.330 -2.302 + 6304TIP3 H125221 -4.079 0.382 -2.261 + 6304TIP3 H225222 -4.227 0.382 -2.275 + 6305TIP3 OH225223 -3.542 0.600 -1.805 + 6305TIP3 H125224 -3.576 0.690 -1.790 + 6305TIP3 H225225 -3.611 0.546 -1.763 + 6306TIP3 OH225226 -3.526 1.026 -1.169 + 6306TIP3 H125227 -3.468 1.098 -1.197 + 6306TIP3 H225228 -3.467 0.973 -1.114 + 6307TIP3 OH225229 -3.681 1.120 -1.848 + 6307TIP3 H125230 -3.777 1.132 -1.837 + 6307TIP3 H225231 -3.647 1.207 -1.822 + 6308TIP3 OH225232 -3.179 0.599 -1.211 + 6308TIP3 H125233 -3.213 0.568 -1.125 + 6308TIP3 H225234 -3.107 0.536 -1.228 + 6309TIP3 OH225235 -2.968 0.737 -2.316 + 6309TIP3 H125236 -2.924 0.682 -2.248 + 6309TIP3 H225237 -3.060 0.716 -2.293 + 6310TIP3 OH225238 -2.900 1.073 -0.931 + 6310TIP3 H125239 -2.956 1.010 -0.979 + 6310TIP3 H225240 -2.860 1.126 -1.001 + 6311TIP3 OH225241 -2.493 1.156 -2.267 + 6311TIP3 H125242 -2.425 1.222 -2.289 + 6311TIP3 H225243 -2.571 1.213 -2.266 + 6312TIP3 OH225244 -4.101 -0.198 -1.002 + 6312TIP3 H125245 -4.187 -0.161 -1.027 + 6312TIP3 H225246 -4.123 -0.284 -0.962 + 6313TIP3 OH225247 -2.852 0.596 -2.076 + 6313TIP3 H125248 -2.895 0.522 -2.032 + 6313TIP3 H225249 -2.758 0.577 -2.055 + 6314TIP3 OH225250 -4.128 0.972 -1.160 + 6314TIP3 H125251 -4.109 0.877 -1.150 + 6314TIP3 H225252 -4.096 1.004 -1.074 + 6315TIP3 OH225253 -3.546 0.834 -2.465 + 6315TIP3 H125254 -3.516 0.754 -2.512 + 6315TIP3 H225255 -3.588 0.794 -2.386 + 6316TIP3 OH225256 -3.664 0.786 -2.191 + 6316TIP3 H125257 -3.612 0.730 -2.131 + 6316TIP3 H225258 -3.647 0.876 -2.156 + 6317TIP3 OH225259 -3.988 0.528 -2.159 + 6317TIP3 H125260 -4.057 0.568 -2.102 + 6317TIP3 H225261 -3.934 0.606 -2.177 + 6318TIP3 OH225262 -3.203 -0.219 -1.146 + 6318TIP3 H125263 -3.142 -0.198 -1.073 + 6318TIP3 H225264 -3.257 -0.291 -1.108 + 6319TIP3 OH225265 -3.145 -0.275 -2.032 + 6319TIP3 H125266 -3.123 -0.223 -2.111 + 6319TIP3 H225267 -3.099 -0.226 -1.962 + 6320TIP3 OH225268 -3.364 0.953 -2.128 + 6320TIP3 H125269 -3.448 0.999 -2.112 + 6320TIP3 H225270 -3.331 0.996 -2.208 + 6321TIP3 OH225271 -3.407 -0.079 -1.929 + 6321TIP3 H125272 -3.330 -0.020 -1.916 + 6321TIP3 H225273 -3.434 -0.096 -1.837 + 6322TIP3 OH225274 -3.369 0.011 -1.014 + 6322TIP3 H125275 -3.363 0.062 -0.932 + 6322TIP3 H225276 -3.313 -0.066 -0.993 + 6323TIP3 OH225277 -3.342 -0.377 -1.834 + 6323TIP3 H125278 -3.365 -0.307 -1.770 + 6323TIP3 H225279 -3.272 -0.334 -1.887 + 6324TIP3 OH225280 -3.644 1.057 -2.129 + 6324TIP3 H125281 -3.652 1.140 -2.181 + 6324TIP3 H225282 -3.658 1.089 -2.038 + 6325TIP3 OH225283 -3.771 -0.275 -2.177 + 6325TIP3 H125284 -3.763 -0.198 -2.119 + 6325TIP3 H225285 -3.693 -0.327 -2.152 + 6326TIP3 OH225286 -2.705 -0.225 -0.917 + 6326TIP3 H125287 -2.799 -0.202 -0.925 + 6326TIP3 H225288 -2.676 -0.214 -1.008 + 6327TIP3 OH225289 -2.877 0.183 -1.519 + 6327TIP3 H125290 -2.957 0.140 -1.552 + 6327TIP3 H225291 -2.828 0.109 -1.479 + 6328TIP3 OH225292 -3.929 0.821 -2.281 + 6328TIP3 H125293 -3.851 0.856 -2.234 + 6328TIP3 H225294 -3.886 0.757 -2.339 + 6329TIP3 OH225295 -4.110 0.038 -2.392 + 6329TIP3 H125296 -4.103 0.116 -2.336 + 6329TIP3 H225297 -4.200 0.006 -2.381 + 6330TIP3 OH225298 -2.782 1.085 -1.401 + 6330TIP3 H125299 -2.790 1.177 -1.434 + 6330TIP3 H225300 -2.701 1.087 -1.349 + 6331TIP3 OH225301 -4.026 -0.476 -1.484 + 6331TIP3 H125302 -4.056 -0.478 -1.576 + 6331TIP3 H225303 -4.069 -0.556 -1.447 + 6332TIP3 OH225304 -4.135 0.894 -1.858 + 6332TIP3 H125305 -4.227 0.923 -1.852 + 6332TIP3 H225306 -4.106 0.931 -1.942 + 6333TIP3 OH225307 -4.214 1.168 -0.739 + 6333TIP3 H125308 -4.152 1.169 -0.664 + 6333TIP3 H225309 -4.214 1.071 -0.753 + 6334TIP3 OH225310 -3.715 1.089 -0.568 + 6334TIP3 H125311 -3.661 1.014 -0.537 + 6334TIP3 H225312 -3.747 1.054 -0.653 + 6335TIP3 OH225313 -3.324 1.005 -2.414 + 6335TIP3 H125314 -3.399 0.942 -2.422 + 6335TIP3 H225315 -3.252 0.949 -2.447 + 6336TIP3 OH225316 -3.094 0.913 -0.700 + 6336TIP3 H125317 -3.123 0.826 -0.667 + 6336TIP3 H225318 -3.008 0.925 -0.656 + 6337TIP3 OH225319 -2.858 0.997 -2.402 + 6337TIP3 H125320 -2.851 0.913 -2.353 + 6337TIP3 H225321 -2.777 0.995 -2.457 + 6338TIP3 OH225322 -4.201 0.577 -0.674 + 6338TIP3 H125323 -4.185 0.484 -0.696 + 6338TIP3 H225324 -4.290 0.592 -0.708 + 6339TIP3 OH225325 -3.781 0.576 -2.430 + 6339TIP3 H125326 -3.764 0.517 -2.355 + 6339TIP3 H225327 -3.694 0.572 -2.476 + 6340TIP3 OH225328 -3.528 0.556 -0.700 + 6340TIP3 H125329 -3.570 0.587 -0.782 + 6340TIP3 H225330 -3.530 0.459 -0.711 + 6341TIP3 OH225331 -3.258 0.712 -2.468 + 6341TIP3 H125332 -3.260 0.706 -2.370 + 6341TIP3 H225333 -3.259 0.616 -2.490 + 6342TIP3 OH225334 -3.002 0.519 -0.953 + 6342TIP3 H125335 -2.928 0.578 -0.979 + 6342TIP3 H225336 -3.076 0.582 -0.953 + 6343TIP3 OH225337 -4.136 0.243 -0.695 + 6343TIP3 H125338 -4.056 0.189 -0.709 + 6343TIP3 H225339 -4.120 0.276 -0.605 + 6344TIP3 OH225340 -3.674 0.389 -2.197 + 6344TIP3 H125341 -3.733 0.336 -2.141 + 6344TIP3 H225342 -3.641 0.321 -2.259 + 6345TIP3 OH225343 -3.751 0.162 -0.972 + 6345TIP3 H125344 -3.803 0.242 -0.950 + 6345TIP3 H225345 -3.684 0.199 -1.033 + 6346TIP3 OH225346 -3.570 0.192 -2.367 + 6346TIP3 H125347 -3.575 0.191 -2.464 + 6346TIP3 H225348 -3.474 0.182 -2.353 + 6347TIP3 OH225349 -3.214 0.434 -0.615 + 6347TIP3 H125350 -3.125 0.415 -0.644 + 6347TIP3 H225351 -3.242 0.349 -0.579 + 6348TIP3 OH225352 -2.618 0.442 -2.438 + 6348TIP3 H125353 -2.636 0.385 -2.514 + 6348TIP3 H225354 -2.638 0.531 -2.472 + 6349TIP3 OH225355 -3.692 -0.109 -0.856 + 6349TIP3 H125356 -3.683 -0.174 -0.928 + 6349TIP3 H225357 -3.711 -0.027 -0.906 + 6350TIP3 OH225358 -3.657 -0.261 -1.110 + 6350TIP3 H125359 -3.605 -0.209 -1.175 + 6350TIP3 H225360 -3.747 -0.258 -1.147 + 6351TIP3 OH225361 -3.501 0.283 -1.072 + 6351TIP3 H125362 -3.417 0.275 -1.119 + 6351TIP3 H225363 -3.532 0.371 -1.102 + 6352TIP3 OH225364 -3.039 0.079 -0.596 + 6352TIP3 H125365 -3.020 -0.015 -0.581 + 6352TIP3 H225366 -2.948 0.112 -0.610 + 6353TIP3 OH225367 -2.915 0.362 -0.749 + 6353TIP3 H125368 -2.954 0.422 -0.817 + 6353TIP3 H225369 -2.830 0.341 -0.788 + 6354TIP3 OH225370 -3.882 0.083 -0.683 + 6354TIP3 H125371 -3.931 -0.001 -0.679 + 6354TIP3 H225372 -3.797 0.054 -0.720 + 6355TIP3 OH225373 -3.586 -0.529 -1.076 + 6355TIP3 H125374 -3.602 -0.433 -1.093 + 6355TIP3 H225375 -3.656 -0.570 -1.130 + 6356TIP3 OH225376 -3.457 -0.072 -0.697 + 6356TIP3 H125377 -3.492 -0.092 -0.609 + 6356TIP3 H225378 -3.537 -0.091 -0.751 + 6357TIP3 OH225379 -3.203 -0.168 -0.812 + 6357TIP3 H125380 -3.290 -0.163 -0.770 + 6357TIP3 H225381 -3.155 -0.228 -0.751 + 6358TIP3 OH225382 -3.016 -0.313 -0.638 + 6358TIP3 H125383 -3.028 -0.408 -0.622 + 6358TIP3 H225384 -3.031 -0.273 -0.550 + 6359TIP3 OH225385 -4.016 -0.174 -0.694 + 6359TIP3 H125386 -4.015 -0.247 -0.758 + 6359TIP3 H225387 -4.032 -0.220 -0.610 + 6360TIP3 OH225388 -3.603 -0.579 -0.795 + 6360TIP3 H125389 -3.541 -0.654 -0.790 + 6360TIP3 H225390 -3.605 -0.563 -0.891 + 6361TIP3 OH225391 -3.508 -0.395 -0.606 + 6361TIP3 H125392 -3.539 -0.452 -0.679 + 6361TIP3 H225393 -3.574 -0.325 -0.604 + 6362TIP3 OH225394 -3.600 1.315 -2.259 + 6362TIP3 H125395 -3.504 1.322 -2.248 + 6362TIP3 H225396 -3.611 1.355 -2.346 + 6363TIP3 OH225397 -4.197 0.804 -2.358 + 6363TIP3 H125398 -4.125 0.798 -2.292 + 6363TIP3 H225399 -4.220 0.711 -2.371 + 6364TIP3 OH225400 -4.273 1.080 -1.639 + 6364TIP3 H125401 -4.275 0.991 -1.600 + 6364TIP3 H225402 -4.243 1.130 -1.562 + 6365TIP3 OH225403 -2.450 1.197 -1.371 + 6365TIP3 H125404 -2.496 1.194 -1.287 + 6365TIP3 H225405 -2.406 1.283 -1.364 + 6366TIP3 OH225406 -2.731 0.724 -0.603 + 6366TIP3 H125407 -2.805 0.702 -0.543 + 6366TIP3 H225408 -2.658 0.751 -0.547 + 6367TIP3 OH225409 -2.581 0.539 -2.004 + 6367TIP3 H125410 -2.491 0.573 -1.989 + 6367TIP3 H225411 -2.587 0.464 -1.943 + 6368TIP3 OH225412 -2.562 0.615 -1.341 + 6368TIP3 H125413 -2.486 0.566 -1.377 + 6368TIP3 H225414 -2.551 0.703 -1.378 + 6369TIP3 OH225415 -2.750 0.909 -1.148 + 6369TIP3 H125416 -2.812 0.913 -1.074 + 6369TIP3 H225417 -2.794 0.848 -1.209 + 6370TIP3 OH225418 -2.535 0.307 -2.179 + 6370TIP3 H125419 -2.571 0.333 -2.265 + 6370TIP3 H225420 -2.526 0.391 -2.133 + 6371TIP3 OH225421 -2.609 0.039 -2.335 + 6371TIP3 H125422 -2.647 0.114 -2.382 + 6371TIP3 H225423 -2.670 -0.031 -2.363 + 6372TIP3 OH225424 -2.741 0.218 -1.782 + 6372TIP3 H125425 -2.714 0.126 -1.795 + 6372TIP3 H225426 -2.754 0.223 -1.686 + 6373TIP3 OH225427 -4.254 0.438 -1.365 + 6373TIP3 H125428 -4.224 0.456 -1.455 + 6373TIP3 H225429 -4.175 0.395 -1.327 + 6374TIP3 OH225430 -2.747 -0.053 -1.943 + 6374TIP3 H125431 -2.725 -0.149 -1.952 + 6374TIP3 H225432 -2.675 -0.013 -1.992 + 6375TIP3 OH225433 -2.697 -0.018 -1.402 + 6375TIP3 H125434 -2.610 0.024 -1.411 + 6375TIP3 H225435 -2.711 -0.011 -1.306 + 6376TIP3 OH225436 -2.685 0.060 -1.098 + 6376TIP3 H125437 -2.780 0.075 -1.086 + 6376TIP3 H225438 -2.656 0.141 -1.145 + 6377TIP3 OH225439 -4.285 -0.069 -0.760 + 6377TIP3 H125440 -4.195 -0.107 -0.759 + 6377TIP3 H225441 -4.342 -0.146 -0.742 + 6378TIP3 OH225442 -2.701 -0.322 -1.973 + 6378TIP3 H125443 -2.679 -0.366 -1.889 + 6378TIP3 H225444 -2.776 -0.376 -2.003 + 6379TIP3 OH225445 -4.196 -0.215 -1.437 + 6379TIP3 H125446 -4.162 -0.305 -1.448 + 6379TIP3 H225447 -4.114 -0.163 -1.427 + 6380TIP3 OH225448 -4.331 0.048 -1.357 + 6380TIP3 H125449 -4.296 -0.009 -1.427 + 6380TIP3 H225450 -4.307 0.135 -1.389 + 6381TIP3 OH225451 -2.534 -0.288 -2.293 + 6381TIP3 H125452 -2.496 -0.366 -2.335 + 6381TIP3 H225453 -2.457 -0.239 -2.263 + 6382TIP3 OH225454 -4.323 -0.326 -1.985 + 6382TIP3 H125455 -4.396 -0.309 -2.045 + 6382TIP3 H225456 -4.247 -0.305 -2.042 + 6383TIP3 OH225457 -2.829 1.213 -1.757 + 6383TIP3 H125458 -2.781 1.178 -1.834 + 6383TIP3 H225459 -2.756 1.237 -1.698 + 6384TIP3 OH225460 -4.291 -0.443 -1.170 + 6384TIP3 H125461 -4.360 -0.452 -1.100 + 6384TIP3 H225462 -4.335 -0.397 -1.243 + 6385TIP3 OH225463 -4.121 0.913 -0.706 + 6385TIP3 H125464 -4.165 0.843 -0.757 + 6385TIP3 H225465 -4.128 0.876 -0.615 + 6386TIP3 OH225466 -3.802 0.973 -1.113 + 6386TIP3 H125467 -3.833 1.058 -1.151 + 6386TIP3 H225468 -3.706 0.982 -1.130 + 6387TIP3 OH225469 -3.354 1.110 -0.812 + 6387TIP3 H125470 -3.338 1.083 -0.721 + 6387TIP3 H225471 -3.267 1.147 -0.838 + 6388TIP3 OH225472 -3.118 1.248 -0.884 + 6388TIP3 H125473 -3.047 1.184 -0.906 + 6388TIP3 H225474 -3.085 1.282 -0.799 + 6389TIP3 OH225475 -4.068 1.283 -1.089 + 6389TIP3 H125476 -4.140 1.328 -1.137 + 6389TIP3 H225477 -4.102 1.283 -0.999 + 6390TIP3 OH225478 -3.817 1.248 -1.223 + 6390TIP3 H125479 -3.905 1.264 -1.182 + 6390TIP3 H225480 -3.816 1.314 -1.295 + 6391TIP3 OH225481 -3.339 1.245 -1.269 + 6391TIP3 H125482 -3.378 1.289 -1.346 + 6391TIP3 H225483 -3.332 1.318 -1.205 + 6392TIP3 OH225484 -3.100 1.118 -1.179 + 6392TIP3 H125485 -3.187 1.150 -1.209 + 6392TIP3 H225486 -3.052 1.201 -1.168 + 6393TIP3 OH225487 -2.835 1.292 -1.146 + 6393TIP3 H125488 -2.852 1.384 -1.173 + 6393TIP3 H225489 -2.833 1.247 -1.231 + 6394TIP3 OH225490 -4.123 1.156 -1.390 + 6394TIP3 H125491 -4.134 1.109 -1.305 + 6394TIP3 H225492 -4.050 1.106 -1.429 + 6395TIP3 OH225493 -3.909 1.028 -1.541 + 6395TIP3 H125494 -3.927 0.935 -1.514 + 6395TIP3 H225495 -3.819 1.041 -1.506 + 6396TIP3 OH225496 -3.629 1.070 -1.454 + 6396TIP3 H125497 -3.612 0.977 -1.476 + 6396TIP3 H225498 -3.623 1.066 -1.357 + 6397TIP3 OH225499 -3.296 -0.341 -1.521 + 6397TIP3 H125500 -3.365 -0.408 -1.507 + 6397TIP3 H225501 -3.236 -0.385 -1.583 + 6398TIP3 OH225502 -2.800 -0.541 -1.470 + 6398TIP3 H125503 -2.734 -0.495 -1.523 + 6398TIP3 H225504 -2.882 -0.517 -1.516 + 6399TIP3 OH225505 -2.630 -0.440 -1.699 + 6399TIP3 H125506 -2.552 -0.486 -1.733 + 6399TIP3 H225507 -2.594 -0.356 -1.667 + 6400TIP3 OH225508 -4.111 -0.485 -1.762 + 6400TIP3 H125509 -4.168 -0.498 -1.840 + 6400TIP3 H225510 -4.043 -0.551 -1.780 + 6401TIP3 OH225511 -3.613 -0.483 -1.780 + 6401TIP3 H125512 -3.520 -0.458 -1.791 + 6401TIP3 H225513 -3.618 -0.498 -1.685 + 6402TIP3 OH225514 -3.052 -0.484 -1.637 + 6402TIP3 H125515 -3.030 -0.495 -1.730 + 6402TIP3 H225516 -3.095 -0.569 -1.616 + 6403TIP3 OH225517 -2.941 -0.481 -2.039 + 6403TIP3 H125518 -3.023 -0.430 -2.056 + 6403TIP3 H225519 -2.977 -0.571 -2.027 + 6404TIP3 OH225520 -4.186 1.079 -2.086 + 6404TIP3 H125521 -4.252 1.061 -2.154 + 6404TIP3 H225522 -4.183 1.175 -2.085 + 6405TIP3 OH225523 -4.002 -0.321 -2.347 + 6405TIP3 H125524 -3.965 -0.406 -2.375 + 6405TIP3 H225525 -3.965 -0.317 -2.257 + 6406TIP3 OH225526 -3.496 -0.319 -2.075 + 6406TIP3 H125527 -3.466 -0.378 -2.004 + 6406TIP3 H225528 -3.476 -0.233 -2.034 + 6407TIP3 OH225529 -3.294 1.260 -2.255 + 6407TIP3 H125530 -3.197 1.258 -2.256 + 6407TIP3 H225531 -3.314 1.191 -2.320 + 6408TIP3 OH225532 -2.640 1.161 -1.992 + 6408TIP3 H125533 -2.664 1.075 -2.033 + 6408TIP3 H225534 -2.648 1.221 -2.067 + 6409TIP3 OH225535 -4.079 -0.444 -0.817 + 6409TIP3 H125536 -4.124 -0.520 -0.776 + 6409TIP3 H225537 -3.988 -0.459 -0.788 + 6410TIP3 OH225538 -3.846 -0.507 -0.643 + 6410TIP3 H125539 -3.762 -0.539 -0.681 + 6410TIP3 H225540 -3.876 -0.586 -0.597 + 6411TIP3 OH225541 -4.011 1.179 -2.386 + 6411TIP3 H125542 -4.043 1.194 -2.296 + 6411TIP3 H225543 -3.943 1.111 -2.372 + 6412TIP3 OH225544 -3.019 -0.594 -0.626 + 6412TIP3 H125545 -3.016 -0.634 -0.537 + 6412TIP3 H225546 -2.925 -0.597 -0.652 + 6413TIP3 OH225547 -1.333 1.161 -1.562 + 6413TIP3 H125548 -1.263 1.097 -1.586 + 6413TIP3 H225549 -1.356 1.138 -1.470 + 6414TIP3 OH225550 -1.114 -0.143 -1.792 + 6414TIP3 H125551 -1.070 -0.172 -1.710 + 6414TIP3 H225552 -1.056 -0.073 -1.824 + 6415TIP3 OH225553 -2.319 0.653 -2.030 + 6415TIP3 H125554 -2.338 0.701 -2.113 + 6415TIP3 H225555 -2.299 0.725 -1.967 + 6416TIP3 OH225556 -1.134 0.997 -1.675 + 6416TIP3 H125557 -1.089 0.915 -1.706 + 6416TIP3 H225558 -1.068 1.064 -1.703 + 6417TIP3 OH225559 -1.011 0.775 -1.828 + 6417TIP3 H125560 -1.051 0.707 -1.883 + 6417TIP3 H225561 -0.975 0.724 -1.753 + 6418TIP3 OH225562 -1.379 0.186 -2.311 + 6418TIP3 H125563 -1.321 0.216 -2.239 + 6418TIP3 H225564 -1.321 0.126 -2.361 + 6419TIP3 OH225565 -1.170 0.305 -2.143 + 6419TIP3 H125566 -1.109 0.302 -2.069 + 6419TIP3 H225567 -1.120 0.356 -2.211 + 6420TIP3 OH225568 -1.391 0.987 -1.826 + 6420TIP3 H125569 -1.361 0.984 -1.735 + 6420TIP3 H225570 -1.471 1.041 -1.824 + 6421TIP3 OH225571 -0.820 -0.526 -2.209 + 6421TIP3 H125572 -0.905 -0.513 -2.163 + 6421TIP3 H225573 -0.782 -0.437 -2.205 + 6422TIP3 OH225574 -0.681 0.890 -2.357 + 6422TIP3 H125575 -0.662 0.983 -2.333 + 6422TIP3 H225576 -0.594 0.848 -2.342 + 6423TIP3 OH225577 -2.372 0.887 -1.411 + 6423TIP3 H125578 -2.315 0.819 -1.374 + 6423TIP3 H225579 -2.411 0.928 -1.333 + 6424TIP3 OH225580 -1.487 1.240 -1.963 + 6424TIP3 H125581 -1.457 1.248 -2.053 + 6424TIP3 H225582 -1.461 1.324 -1.922 + 6425TIP3 OH225583 -2.078 1.140 -1.773 + 6425TIP3 H125584 -2.074 1.091 -1.690 + 6425TIP3 H225585 -2.161 1.106 -1.810 + 6426TIP3 OH225586 -1.143 1.169 -2.244 + 6426TIP3 H125587 -1.077 1.108 -2.284 + 6426TIP3 H225588 -1.137 1.143 -2.150 + 6427TIP3 OH225589 -1.191 1.127 -1.963 + 6427TIP3 H125590 -1.284 1.121 -1.934 + 6427TIP3 H225591 -1.159 1.049 -1.914 + 6428TIP3 OH225592 -1.017 0.401 -2.351 + 6428TIP3 H125593 -1.033 0.381 -2.445 + 6428TIP3 H225594 -0.921 0.417 -2.352 + 6429TIP3 OH225595 -1.441 -0.214 -2.309 + 6429TIP3 H125596 -1.493 -0.227 -2.228 + 6429TIP3 H225597 -1.480 -0.281 -2.367 + 6430TIP3 OH225598 -1.802 -0.181 -2.417 + 6430TIP3 H125599 -1.840 -0.214 -2.333 + 6430TIP3 H225600 -1.881 -0.156 -2.467 + 6431TIP3 OH225601 -2.332 -0.140 -2.134 + 6431TIP3 H125602 -2.269 -0.095 -2.192 + 6431TIP3 H225603 -2.406 -0.079 -2.132 + 6432TIP3 OH225604 -1.932 0.086 -2.231 + 6432TIP3 H125605 -1.990 0.068 -2.306 + 6432TIP3 H225606 -1.850 0.111 -2.276 + 6433TIP3 OH225607 -1.175 -0.151 -2.274 + 6433TIP3 H125608 -1.273 -0.159 -2.284 + 6433TIP3 H225609 -1.164 -0.074 -2.217 + 6434TIP3 OH225610 -1.086 0.041 -2.043 + 6434TIP3 H125611 -0.994 0.013 -2.051 + 6434TIP3 H225612 -1.098 0.106 -2.113 + 6435TIP3 OH225613 -1.370 0.686 -2.183 + 6435TIP3 H125614 -1.389 0.761 -2.124 + 6435TIP3 H225615 -1.415 0.613 -2.138 + 6436TIP3 OH225616 -0.839 0.886 -2.106 + 6436TIP3 H125617 -0.864 0.810 -2.052 + 6436TIP3 H225618 -0.775 0.849 -2.168 + 6437TIP3 OH225619 -2.244 0.327 -2.316 + 6437TIP3 H125620 -2.181 0.362 -2.252 + 6437TIP3 H225621 -2.327 0.329 -2.265 + 6438TIP3 OH225622 -1.791 1.098 -1.849 + 6438TIP3 H125623 -1.884 1.106 -1.826 + 6438TIP3 H225624 -1.754 1.182 -1.818 + 6439TIP3 OH225625 -1.084 0.725 -2.301 + 6439TIP3 H125626 -1.038 0.675 -2.231 + 6439TIP3 H225627 -1.176 0.700 -2.282 + 6440TIP3 OH225628 -0.606 1.152 -2.263 + 6440TIP3 H125629 -0.533 1.213 -2.283 + 6440TIP3 H225630 -0.680 1.214 -2.269 + 6441TIP3 OH225631 -0.950 0.572 -2.060 + 6441TIP3 H125632 -0.996 0.504 -2.009 + 6441TIP3 H225633 -0.862 0.570 -2.020 + 6442TIP3 OH225634 -1.662 0.835 -2.465 + 6442TIP3 H125635 -1.634 0.756 -2.515 + 6442TIP3 H225636 -1.691 0.792 -2.382 + 6443TIP3 OH225637 -1.751 0.777 -2.194 + 6443TIP3 H125638 -1.703 0.731 -2.125 + 6443TIP3 H225639 -1.740 0.871 -2.167 + 6444TIP3 OH225640 -2.053 0.539 -2.106 + 6444TIP3 H125641 -2.145 0.545 -2.078 + 6444TIP3 H225642 -2.052 0.587 -2.189 + 6445TIP3 OH225643 -1.266 -0.283 -1.998 + 6445TIP3 H125644 -1.245 -0.226 -2.073 + 6445TIP3 H225645 -1.228 -0.233 -1.923 + 6446TIP3 OH225646 -1.490 0.945 -2.137 + 6446TIP3 H125647 -1.566 1.003 -2.118 + 6446TIP3 H225648 -1.433 0.999 -2.191 + 6447TIP3 OH225649 -1.759 1.054 -2.130 + 6447TIP3 H125650 -1.772 1.137 -2.180 + 6447TIP3 H225651 -1.774 1.082 -2.037 + 6448TIP3 OH225652 -1.892 -0.259 -2.164 + 6448TIP3 H125653 -1.888 -0.174 -2.118 + 6448TIP3 H225654 -1.817 -0.306 -2.124 + 6449TIP3 OH225655 -2.039 0.804 -2.271 + 6449TIP3 H125656 -1.969 0.860 -2.236 + 6449TIP3 H225657 -1.988 0.748 -2.331 + 6450TIP3 OH225658 -2.233 0.029 -2.361 + 6450TIP3 H125659 -2.227 0.121 -2.331 + 6450TIP3 H225660 -2.324 0.024 -2.393 + 6451TIP3 OH225661 -2.247 0.886 -1.855 + 6451TIP3 H125662 -2.331 0.929 -1.841 + 6451TIP3 H225663 -2.212 0.935 -1.930 + 6452TIP3 OH225664 -1.443 1.036 -2.453 + 6452TIP3 H125665 -1.513 0.967 -2.443 + 6452TIP3 H225666 -1.369 0.977 -2.480 + 6453TIP3 OH225667 -0.975 0.993 -2.401 + 6453TIP3 H125668 -0.960 0.914 -2.347 + 6453TIP3 H225669 -0.894 0.994 -2.456 + 6454TIP3 OH225670 -1.896 0.576 -2.417 + 6454TIP3 H125671 -1.875 0.509 -2.349 + 6454TIP3 H225672 -1.813 0.573 -2.469 + 6455TIP3 OH225673 -1.374 0.715 -2.457 + 6455TIP3 H125674 -1.380 0.706 -2.360 + 6455TIP3 H225675 -1.377 0.621 -2.483 + 6456TIP3 OH225676 -1.788 0.400 -2.188 + 6456TIP3 H125677 -1.830 0.344 -2.121 + 6456TIP3 H225678 -1.744 0.332 -2.243 + 6457TIP3 OH225679 -1.686 0.197 -2.364 + 6457TIP3 H125680 -1.693 0.196 -2.461 + 6457TIP3 H225681 -1.589 0.189 -2.351 + 6458TIP3 OH225682 -0.747 0.428 -2.410 + 6458TIP3 H125683 -0.727 0.376 -2.489 + 6458TIP3 H225684 -0.728 0.518 -2.439 + 6459TIP3 OH225685 -1.569 0.335 -1.099 + 6459TIP3 H125686 -1.486 0.305 -1.137 + 6459TIP3 H225687 -1.635 0.304 -1.162 + 6460TIP3 OH225688 -1.674 -0.516 -0.840 + 6460TIP3 H125689 -1.693 -0.451 -0.910 + 6460TIP3 H225690 -1.625 -0.582 -0.890 + 6461TIP3 OH225691 -1.648 -0.426 -0.581 + 6461TIP3 H125692 -1.641 -0.460 -0.672 + 6461TIP3 H225693 -1.660 -0.332 -0.590 + 6462TIP3 OH225694 -1.714 1.325 -2.280 + 6462TIP3 H125695 -1.619 1.332 -2.266 + 6462TIP3 H225696 -1.732 1.382 -2.355 + 6463TIP3 OH225697 -2.321 0.752 -2.310 + 6463TIP3 H125698 -2.226 0.766 -2.294 + 6463TIP3 H225699 -2.322 0.673 -2.368 + 6464TIP3 OH225700 -2.412 1.272 -1.829 + 6464TIP3 H125701 -2.485 1.233 -1.882 + 6464TIP3 H225702 -2.401 1.205 -1.759 + 6465TIP3 OH225703 -2.362 1.087 -1.619 + 6465TIP3 H125704 -2.389 0.995 -1.598 + 6465TIP3 H225705 -2.384 1.128 -1.533 + 6466TIP3 OH225706 -0.636 1.191 -1.351 + 6466TIP3 H125707 -0.652 1.189 -1.256 + 6466TIP3 H225708 -0.571 1.261 -1.360 + 6467TIP3 OH225709 -0.794 0.075 -2.343 + 6467TIP3 H125710 -0.761 0.129 -2.416 + 6467TIP3 H225711 -0.804 -0.013 -2.384 + 6468TIP3 OH225712 -2.338 0.425 -1.410 + 6468TIP3 H125713 -2.324 0.371 -1.489 + 6468TIP3 H225714 -2.274 0.383 -1.349 + 6469TIP3 OH225715 -0.854 -0.189 -2.445 + 6469TIP3 H125716 -0.790 -0.234 -2.385 + 6469TIP3 H225717 -0.933 -0.245 -2.440 + 6470TIP3 OH225718 -0.818 -0.313 -1.928 + 6470TIP3 H125719 -0.817 -0.345 -1.837 + 6470TIP3 H225720 -0.900 -0.351 -1.962 + 6471TIP3 OH225721 -0.635 -0.291 -2.301 + 6471TIP3 H125722 -0.594 -0.376 -2.322 + 6471TIP3 H225723 -0.562 -0.244 -2.257 + 6472TIP3 OH225724 -0.945 1.214 -1.757 + 6472TIP3 H125725 -0.895 1.180 -1.834 + 6472TIP3 H225726 -0.873 1.235 -1.696 + 6473TIP3 OH225727 -1.449 1.246 -1.273 + 6473TIP3 H125728 -1.499 1.301 -1.335 + 6473TIP3 H225729 -1.443 1.299 -1.193 + 6474TIP3 OH225730 -2.309 -0.507 -2.176 + 6474TIP3 H125731 -2.250 -0.445 -2.222 + 6474TIP3 H225732 -2.349 -0.448 -2.110 + 6475TIP3 OH225733 -1.053 -0.477 -2.049 + 6475TIP3 H125734 -1.135 -0.425 -2.045 + 6475TIP3 H225735 -1.085 -0.564 -2.020 + 6476TIP3 OH225736 -2.273 1.075 -2.065 + 6476TIP3 H125737 -2.339 1.062 -2.135 + 6476TIP3 H225738 -2.280 1.171 -2.053 + 6477TIP3 OH225739 -2.116 -0.331 -2.325 + 6477TIP3 H125740 -2.056 -0.389 -2.375 + 6477TIP3 H225741 -2.058 -0.303 -2.251 + 6478TIP3 OH225742 -1.604 -0.290 -2.066 + 6478TIP3 H125743 -1.595 -0.363 -2.003 + 6478TIP3 H225744 -1.606 -0.214 -2.008 + 6479TIP3 OH225745 -1.405 1.263 -2.304 + 6479TIP3 H125746 -1.314 1.256 -2.266 + 6479TIP3 H225747 -1.425 1.169 -2.319 + 6480TIP3 OH225748 -0.757 1.163 -1.991 + 6480TIP3 H125749 -0.778 1.077 -2.033 + 6480TIP3 H225750 -0.756 1.222 -2.068 + 6481TIP3 OH225751 -2.127 1.178 -2.383 + 6481TIP3 H125752 -2.161 1.197 -2.295 + 6481TIP3 H225753 -2.060 1.111 -2.366 + 6482TIP3 OH225754 -0.458 0.671 -2.024 + 6482TIP3 H125755 -0.477 0.693 -2.116 + 6482TIP3 H225756 -0.447 0.757 -1.983 + 6483TIP3 OH225757 0.748 1.008 -1.700 + 6483TIP3 H125758 0.796 0.929 -1.729 + 6483TIP3 H225759 0.799 1.081 -1.737 + 6484TIP3 OH225760 0.881 0.777 -1.842 + 6484TIP3 H125761 0.823 0.716 -1.890 + 6484TIP3 H225762 0.886 0.738 -1.753 + 6485TIP3 OH225763 0.447 0.324 -2.026 + 6485TIP3 H125764 0.410 0.412 -2.005 + 6485TIP3 H225765 0.541 0.339 -2.021 + 6486TIP3 OH225766 0.769 0.421 -1.924 + 6486TIP3 H125767 0.700 0.412 -1.856 + 6486TIP3 H225768 0.822 0.343 -1.907 + 6487TIP3 OH225769 0.703 0.267 -2.207 + 6487TIP3 H125770 0.716 0.296 -2.117 + 6487TIP3 H225771 0.750 0.336 -2.259 + 6488TIP3 OH225772 0.486 0.976 -1.824 + 6488TIP3 H125773 0.520 0.968 -1.735 + 6488TIP3 H225774 0.419 1.045 -1.820 + 6489TIP3 OH225775 1.204 0.890 -2.358 + 6489TIP3 H125776 1.225 0.983 -2.334 + 6489TIP3 H225777 1.288 0.846 -2.338 + 6490TIP3 OH225778 0.402 1.239 -1.958 + 6490TIP3 H125779 0.422 1.239 -2.053 + 6490TIP3 H225780 0.427 1.329 -1.930 + 6491TIP3 OH225781 0.746 1.194 -2.285 + 6491TIP3 H125782 0.802 1.122 -2.320 + 6491TIP3 H225783 0.750 1.175 -2.190 + 6492TIP3 OH225784 0.689 1.131 -1.979 + 6492TIP3 H125785 0.594 1.130 -1.956 + 6492TIP3 H225786 0.715 1.054 -1.927 + 6493TIP3 OH225787 0.877 0.425 -2.359 + 6493TIP3 H125788 0.861 0.394 -2.450 + 6493TIP3 H225789 0.974 0.428 -2.356 + 6494TIP3 OH225790 -0.440 -0.119 -2.149 + 6494TIP3 H125791 -0.378 -0.070 -2.206 + 6494TIP3 H225792 -0.497 -0.048 -2.116 + 6495TIP3 OH225793 0.273 0.545 -2.057 + 6495TIP3 H125794 0.203 0.479 -2.062 + 6495TIP3 H225795 0.284 0.558 -1.961 + 6496TIP3 OH225796 0.714 -0.162 -2.287 + 6496TIP3 H125797 0.621 -0.173 -2.262 + 6496TIP3 H225798 0.740 -0.091 -2.226 + 6497TIP3 OH225799 0.822 0.032 -2.055 + 6497TIP3 H125800 0.911 0.016 -2.085 + 6497TIP3 H225801 0.784 0.093 -2.119 + 6498TIP3 OH225802 0.534 0.698 -2.181 + 6498TIP3 H125803 0.514 0.774 -2.124 + 6498TIP3 H225804 0.477 0.631 -2.139 + 6499TIP3 OH225805 1.061 0.891 -2.095 + 6499TIP3 H125806 1.014 0.812 -2.061 + 6499TIP3 H225807 1.106 0.855 -2.173 + 6500TIP3 OH225808 -0.375 0.328 -2.312 + 6500TIP3 H125809 -0.310 0.365 -2.250 + 6500TIP3 H225810 -0.455 0.332 -2.255 + 6501TIP3 OH225811 0.035 1.101 -1.824 + 6501TIP3 H125812 -0.031 1.158 -1.863 + 6501TIP3 H225813 0.105 1.165 -1.800 + 6502TIP3 OH225814 0.801 0.737 -2.312 + 6502TIP3 H125815 0.848 0.681 -2.248 + 6502TIP3 H225816 0.709 0.717 -2.286 + 6503TIP3 OH225817 1.291 1.147 -2.268 + 6503TIP3 H125818 1.359 1.214 -2.289 + 6503TIP3 H225819 1.213 1.206 -2.265 + 6504TIP3 OH225820 0.966 0.600 -2.080 + 6504TIP3 H125821 0.898 0.542 -2.044 + 6504TIP3 H225822 1.045 0.571 -2.032 + 6505TIP3 OH225823 0.225 0.831 -2.465 + 6505TIP3 H125824 0.253 0.750 -2.512 + 6505TIP3 H225825 0.189 0.793 -2.383 + 6506TIP3 OH225826 0.119 0.784 -2.188 + 6506TIP3 H125827 0.168 0.726 -2.127 + 6506TIP3 H225828 0.134 0.872 -2.150 + 6507TIP3 OH225829 -0.196 0.521 -2.126 + 6507TIP3 H125830 -0.281 0.542 -2.086 + 6507TIP3 H225831 -0.172 0.599 -2.177 + 6508TIP3 OH225832 0.406 0.958 -2.132 + 6508TIP3 H125833 0.322 1.002 -2.116 + 6508TIP3 H225834 0.441 1.001 -2.211 + 6509TIP3 OH225835 0.116 1.057 -2.123 + 6509TIP3 H125836 0.116 1.139 -2.176 + 6509TIP3 H225837 0.118 1.090 -2.032 + 6510TIP3 OH225838 -0.160 0.804 -2.272 + 6510TIP3 H125839 -0.086 0.854 -2.232 + 6510TIP3 H225840 -0.108 0.749 -2.333 + 6511TIP3 OH225841 -0.343 0.037 -2.364 + 6511TIP3 H125842 -0.337 0.131 -2.339 + 6511TIP3 H225843 -0.433 0.029 -2.397 + 6512TIP3 OH225844 0.446 1.007 -2.425 + 6512TIP3 H125845 0.370 0.944 -2.425 + 6512TIP3 H225846 0.517 0.946 -2.448 + 6513TIP3 OH225847 0.915 0.994 -2.412 + 6513TIP3 H125848 0.919 0.915 -2.355 + 6513TIP3 H225849 1.001 0.991 -2.457 + 6514TIP3 OH225850 -0.010 0.570 -2.424 + 6514TIP3 H125851 0.003 0.496 -2.364 + 6514TIP3 H225852 0.076 0.572 -2.470 + 6515TIP3 OH225853 0.515 0.710 -2.464 + 6515TIP3 H125854 0.509 0.703 -2.366 + 6515TIP3 H225855 0.509 0.614 -2.486 + 6516TIP3 OH225856 1.154 0.429 -2.410 + 6516TIP3 H125857 1.157 0.378 -2.492 + 6516TIP3 H225858 1.154 0.521 -2.441 + 6517TIP3 OH225859 0.172 1.312 -2.258 + 6517TIP3 H125860 0.268 1.322 -2.247 + 6517TIP3 H225861 0.159 1.360 -2.341 + 6518TIP3 OH225862 -0.438 0.750 -2.308 + 6518TIP3 H125863 -0.342 0.767 -2.293 + 6518TIP3 H225864 -0.435 0.671 -2.367 + 6519TIP3 OH225865 -0.535 1.266 -1.820 + 6519TIP3 H125866 -0.606 1.231 -1.877 + 6519TIP3 H225867 -0.522 1.192 -1.757 + 6520TIP3 OH225868 -0.467 1.062 -1.617 + 6520TIP3 H125869 -0.521 0.981 -1.610 + 6520TIP3 H225870 -0.477 1.095 -1.527 + 6521TIP3 OH225871 1.063 0.082 -2.376 + 6521TIP3 H125872 1.115 0.133 -2.438 + 6521TIP3 H225873 1.069 -0.009 -2.411 + 6522TIP3 OH225874 1.046 -0.207 -2.427 + 6522TIP3 H125875 1.088 -0.267 -2.365 + 6522TIP3 H225876 0.958 -0.245 -2.439 + 6523TIP3 OH225877 -0.538 -0.348 -2.005 + 6523TIP3 H125878 -0.622 -0.309 -1.974 + 6523TIP3 H225879 -0.485 -0.271 -2.030 + 6524TIP3 OH225880 0.938 1.229 -1.814 + 6524TIP3 H125881 1.008 1.197 -1.874 + 6524TIP3 H225882 0.974 1.211 -1.727 + 6525TIP3 OH225883 0.928 1.313 -1.143 + 6525TIP3 H125884 0.915 1.402 -1.179 + 6525TIP3 H225885 0.901 1.252 -1.213 + 6526TIP3 OH225886 0.872 -0.489 -2.033 + 6526TIP3 H125887 0.799 -0.427 -2.047 + 6526TIP3 H225888 0.831 -0.572 -2.063 + 6527TIP3 OH225889 -0.387 1.061 -2.042 + 6527TIP3 H125890 -0.446 1.042 -2.116 + 6527TIP3 H225891 -0.396 1.157 -2.036 + 6528TIP3 OH225892 -0.227 -0.329 -2.322 + 6528TIP3 H125893 -0.171 -0.399 -2.356 + 6528TIP3 H225894 -0.172 -0.285 -2.257 + 6529TIP3 OH225895 0.473 1.259 -2.257 + 6529TIP3 H125896 0.570 1.258 -2.264 + 6529TIP3 H225897 0.451 1.189 -2.320 + 6530TIP3 OH225898 1.145 1.157 -1.987 + 6530TIP3 H125899 1.117 1.073 -2.030 + 6530TIP3 H225900 1.131 1.221 -2.059 + 6531TIP3 OH225901 -0.249 1.170 -2.382 + 6531TIP3 H125902 -0.269 1.199 -2.292 + 6531TIP3 H225903 -0.172 1.112 -2.369 + 6532TIP3 OH225904 2.496 0.402 -1.742 + 6532TIP3 H125905 2.495 0.498 -1.727 + 6532TIP3 H225906 2.422 0.391 -1.804 + 6533TIP3 OH225907 2.388 0.341 -1.426 + 6533TIP3 H125908 2.375 0.287 -1.347 + 6533TIP3 H225909 2.357 0.281 -1.496 + 6534TIP3 OH225910 2.749 0.625 -1.601 + 6534TIP3 H125911 2.714 0.552 -1.549 + 6534TIP3 H225912 2.778 0.685 -1.530 + 6535TIP3 OH225913 2.455 1.157 -1.551 + 6535TIP3 H125914 2.515 1.084 -1.576 + 6535TIP3 H225915 2.426 1.129 -1.463 + 6536TIP3 OH225916 2.225 0.595 -1.392 + 6536TIP3 H125917 2.273 0.517 -1.424 + 6536TIP3 H225918 2.277 0.615 -1.313 + 6537TIP3 OH225919 3.097 -0.243 -1.317 + 6537TIP3 H125920 3.118 -0.187 -1.241 + 6537TIP3 H225921 3.165 -0.218 -1.381 + 6538TIP3 OH225922 2.556 0.033 -1.325 + 6538TIP3 H125923 2.571 -0.064 -1.323 + 6538TIP3 H225924 2.543 0.048 -1.420 + 6539TIP3 OH225925 2.643 -0.149 -1.788 + 6539TIP3 H125926 2.698 -0.191 -1.718 + 6539TIP3 H225927 2.711 -0.103 -1.839 + 6540TIP3 OH225928 3.164 -0.094 -1.041 + 6540TIP3 H125929 3.097 -0.032 -1.074 + 6540TIP3 H225930 3.119 -0.128 -0.962 + 6541TIP3 OH225931 2.485 0.688 -1.863 + 6541TIP3 H125932 2.459 0.667 -1.953 + 6541TIP3 H225933 2.444 0.775 -1.847 + 6542TIP3 OH225934 2.825 -0.221 -1.582 + 6542TIP3 H125935 2.791 -0.290 -1.523 + 6542TIP3 H225936 2.877 -0.166 -1.520 + 6543TIP3 OH225937 1.839 0.707 -1.109 + 6543TIP3 H125938 1.820 0.794 -1.146 + 6543TIP3 H225939 1.757 0.681 -1.066 + 6544TIP3 OH225940 1.455 0.676 -2.019 + 6544TIP3 H125941 1.410 0.688 -2.103 + 6544TIP3 H225942 1.446 0.762 -1.977 + 6545TIP3 OH225943 2.808 0.807 -1.352 + 6545TIP3 H125944 2.711 0.813 -1.346 + 6545TIP3 H225945 2.830 0.895 -1.387 + 6546TIP3 OH225946 2.835 -0.279 -1.192 + 6546TIP3 H125947 2.756 -0.271 -1.249 + 6546TIP3 H225948 2.906 -0.292 -1.257 + 6547TIP3 OH225949 2.141 -0.528 -1.496 + 6547TIP3 H125950 2.136 -0.625 -1.496 + 6547TIP3 H225951 2.062 -0.505 -1.444 + 6548TIP3 OH225952 2.636 0.997 -1.701 + 6548TIP3 H125953 2.686 0.917 -1.726 + 6548TIP3 H225954 2.705 1.065 -1.706 + 6549TIP3 OH225955 2.782 0.783 -1.835 + 6549TIP3 H125956 2.731 0.734 -1.901 + 6549TIP3 H225957 2.777 0.721 -1.759 + 6550TIP3 OH225958 2.971 0.663 -0.994 + 6550TIP3 H125959 2.934 0.590 -1.047 + 6550TIP3 H225960 2.933 0.740 -1.038 + 6551TIP3 OH225961 2.362 0.365 -2.012 + 6551TIP3 H125962 2.293 0.405 -2.068 + 6551TIP3 H225963 2.436 0.358 -2.075 + 6552TIP3 OH225964 2.390 0.181 -2.313 + 6552TIP3 H125965 2.461 0.207 -2.251 + 6552TIP3 H225966 2.438 0.116 -2.368 + 6553TIP3 OH225967 2.713 0.357 -1.907 + 6553TIP3 H125968 2.645 0.376 -1.839 + 6553TIP3 H225969 2.774 0.300 -1.856 + 6554TIP3 OH225970 2.011 0.780 -1.489 + 6554TIP3 H125971 2.010 0.692 -1.526 + 6554TIP3 H225972 2.060 0.758 -1.407 + 6555TIP3 OH225973 2.525 0.865 -1.329 + 6555TIP3 H125974 2.533 0.934 -1.261 + 6555TIP3 H225975 2.503 0.785 -1.278 + 6556TIP3 OH225976 2.605 0.305 -2.161 + 6556TIP3 H125977 2.654 0.328 -2.080 + 6556TIP3 H225978 2.657 0.355 -2.229 + 6557TIP3 OH225979 2.350 0.962 -1.808 + 6557TIP3 H125980 2.401 0.983 -1.728 + 6557TIP3 H225981 2.308 1.047 -1.828 + 6558TIP3 OH225982 2.951 -0.525 -2.214 + 6558TIP3 H125983 2.863 -0.515 -2.173 + 6558TIP3 H225984 2.986 -0.435 -2.206 + 6559TIP3 OH225985 3.090 0.889 -2.360 + 6559TIP3 H125986 3.106 0.982 -2.335 + 6559TIP3 H225987 3.176 0.848 -2.341 + 6560TIP3 OH225988 2.300 1.231 -1.960 + 6560TIP3 H125989 2.311 1.246 -2.056 + 6560TIP3 H225990 2.308 1.321 -1.923 + 6561TIP3 OH225991 1.680 1.100 -1.803 + 6561TIP3 H125992 1.687 1.079 -1.707 + 6561TIP3 H225993 1.589 1.077 -1.824 + 6562TIP3 OH225994 2.637 1.175 -2.240 + 6562TIP3 H125995 2.696 1.110 -2.283 + 6562TIP3 H225996 2.633 1.140 -2.149 + 6563TIP3 OH225997 2.577 1.118 -1.960 + 6563TIP3 H125998 2.483 1.130 -1.940 + 6563TIP3 H225999 2.599 1.050 -1.894 + 6564TIP3 OH226000 1.892 -0.443 -1.361 + 6564TIP3 H126001 1.813 -0.463 -1.414 + 6564TIP3 H226002 1.879 -0.350 -1.339 + 6565TIP3 OH226003 2.763 0.412 -2.361 + 6565TIP3 H126004 2.742 0.391 -2.454 + 6565TIP3 H226005 2.858 0.433 -2.368 + 6566TIP3 OH226006 2.327 -0.213 -2.312 + 6566TIP3 H126007 2.278 -0.228 -2.229 + 6566TIP3 H226008 2.286 -0.282 -2.368 + 6567TIP3 OH226009 2.440 0.115 -1.898 + 6567TIP3 H126010 2.402 0.197 -1.933 + 6567TIP3 H226011 2.511 0.096 -1.961 + 6568TIP3 OH226012 2.524 0.063 -1.613 + 6568TIP3 H126013 2.497 0.118 -1.690 + 6568TIP3 H226014 2.545 -0.020 -1.660 + 6569TIP3 OH226015 1.971 -0.187 -2.419 + 6569TIP3 H126016 1.935 -0.211 -2.332 + 6569TIP3 H226017 1.893 -0.157 -2.466 + 6570TIP3 OH226018 2.467 0.238 -1.143 + 6570TIP3 H126019 2.516 0.168 -1.191 + 6570TIP3 H226020 2.458 0.204 -1.054 + 6571TIP3 OH226021 2.598 -0.259 -1.365 + 6571TIP3 H126022 2.535 -0.270 -1.290 + 6571TIP3 H226023 2.544 -0.294 -1.438 + 6572TIP3 OH226024 1.850 0.091 -2.257 + 6572TIP3 H126025 1.789 0.065 -2.327 + 6572TIP3 H226026 1.934 0.106 -2.305 + 6573TIP3 OH226027 2.897 1.297 -0.697 + 6573TIP3 H126028 2.903 1.339 -0.783 + 6573TIP3 H226029 2.963 1.342 -0.644 + 6574TIP3 OH226030 2.246 0.071 -1.473 + 6574TIP3 H126031 2.319 0.034 -1.523 + 6574TIP3 H226032 2.249 0.022 -1.390 + 6575TIP3 OH226033 2.162 0.570 -2.075 + 6575TIP3 H126034 2.093 0.507 -2.106 + 6575TIP3 H226035 2.156 0.557 -1.978 + 6576TIP3 OH226036 2.913 0.444 -1.186 + 6576TIP3 H126037 2.975 0.489 -1.246 + 6576TIP3 H226038 2.830 0.447 -1.237 + 6577TIP3 OH226039 2.595 -0.152 -2.299 + 6577TIP3 H126040 2.497 -0.159 -2.299 + 6577TIP3 H226041 2.614 -0.083 -2.233 + 6578TIP3 OH226042 2.663 0.028 -2.093 + 6578TIP3 H126043 2.749 0.010 -2.051 + 6578TIP3 H226044 2.678 0.115 -2.134 + 6579TIP3 OH226045 2.419 0.699 -2.185 + 6579TIP3 H126046 2.391 0.783 -2.144 + 6579TIP3 H226047 2.349 0.639 -2.155 + 6580TIP3 OH226048 2.584 0.835 -1.028 + 6580TIP3 H126049 2.489 0.833 -1.040 + 6580TIP3 H226050 2.595 0.833 -0.933 + 6581TIP3 OH226051 3.122 0.024 -2.119 + 6581TIP3 H126052 3.066 0.006 -2.196 + 6581TIP3 H226053 3.135 0.120 -2.131 + 6582TIP3 OH226054 2.941 0.888 -2.110 + 6582TIP3 H126055 2.918 0.812 -2.054 + 6582TIP3 H226056 2.998 0.849 -2.178 + 6583TIP3 OH226057 2.672 0.426 -1.367 + 6583TIP3 H126058 2.578 0.408 -1.382 + 6583TIP3 H226059 2.713 0.351 -1.415 + 6584TIP3 OH226060 1.491 0.314 -2.296 + 6584TIP3 H126061 1.561 0.365 -2.254 + 6584TIP3 H226062 1.411 0.355 -2.262 + 6585TIP3 OH226063 2.067 0.600 -1.805 + 6585TIP3 H126064 2.089 0.680 -1.757 + 6585TIP3 H226065 2.012 0.550 -1.744 + 6586TIP3 OH226066 2.135 1.040 -1.186 + 6586TIP3 H126067 2.201 1.109 -1.205 + 6586TIP3 H226068 2.186 0.971 -1.141 + 6587TIP3 OH226069 1.957 1.085 -1.848 + 6587TIP3 H126070 1.869 1.120 -1.821 + 6587TIP3 H226071 2.015 1.155 -1.811 + 6588TIP3 OH226072 2.477 0.592 -1.186 + 6588TIP3 H126073 2.453 0.565 -1.096 + 6588TIP3 H226074 2.544 0.526 -1.208 + 6589TIP3 OH226075 2.687 0.732 -2.319 + 6589TIP3 H126076 2.731 0.684 -2.246 + 6589TIP3 H226077 2.595 0.715 -2.294 + 6590TIP3 OH226078 3.162 1.155 -2.267 + 6590TIP3 H126079 3.232 1.220 -2.288 + 6590TIP3 H226080 3.086 1.215 -2.266 + 6591TIP3 OH226081 2.784 0.592 -2.081 + 6591TIP3 H126082 2.757 0.519 -2.023 + 6591TIP3 H226083 2.881 0.588 -2.072 + 6592TIP3 OH226084 2.112 0.835 -2.462 + 6592TIP3 H126085 2.143 0.761 -2.519 + 6592TIP3 H226086 2.069 0.785 -2.392 + 6593TIP3 OH226087 1.982 0.790 -2.134 + 6593TIP3 H126088 2.055 0.725 -2.134 + 6593TIP3 H226089 2.027 0.873 -2.158 + 6594TIP3 OH226090 1.696 0.539 -2.102 + 6594TIP3 H126091 1.603 0.558 -2.085 + 6594TIP3 H226092 1.717 0.591 -2.180 + 6595TIP3 OH226093 2.437 -0.244 -1.139 + 6595TIP3 H126094 2.497 -0.217 -1.069 + 6595TIP3 H226095 2.404 -0.329 -1.104 + 6596TIP3 OH226096 2.510 -0.276 -2.020 + 6596TIP3 H126097 2.530 -0.223 -2.099 + 6596TIP3 H226098 2.556 -0.227 -1.950 + 6597TIP3 OH226099 2.280 0.944 -2.133 + 6597TIP3 H126100 2.211 1.008 -2.110 + 6597TIP3 H226101 2.331 0.993 -2.199 + 6598TIP3 OH226102 2.224 -0.088 -1.927 + 6598TIP3 H126103 2.298 -0.026 -1.916 + 6598TIP3 H226104 2.179 -0.084 -1.841 + 6599TIP3 OH226105 2.305 -0.372 -1.833 + 6599TIP3 H126106 2.304 -0.312 -1.757 + 6599TIP3 H226107 2.376 -0.331 -1.887 + 6600TIP3 OH226108 2.007 1.061 -2.122 + 6600TIP3 H126109 2.003 1.138 -2.183 + 6600TIP3 H226110 2.001 1.106 -2.035 + 6601TIP3 OH226111 1.873 -0.254 -2.163 + 6601TIP3 H126112 1.873 -0.172 -2.111 + 6601TIP3 H226113 1.947 -0.302 -2.123 + 6602TIP3 OH226114 2.900 -0.185 -0.917 + 6602TIP3 H126115 2.809 -0.153 -0.918 + 6602TIP3 H226116 2.908 -0.221 -1.008 + 6603TIP3 OH226117 2.766 0.195 -1.526 + 6603TIP3 H126118 2.681 0.153 -1.546 + 6603TIP3 H226119 2.812 0.126 -1.475 + 6604TIP3 OH226120 1.722 0.807 -2.276 + 6604TIP3 H126121 1.797 0.856 -2.238 + 6604TIP3 H226122 1.769 0.752 -2.340 + 6605TIP3 OH226123 1.543 0.030 -2.375 + 6605TIP3 H126124 1.549 0.100 -2.308 + 6605TIP3 H226125 1.450 0.007 -2.373 + 6606TIP3 OH226126 2.871 1.083 -1.384 + 6606TIP3 H126127 2.852 1.166 -1.431 + 6606TIP3 H226128 2.963 1.099 -1.357 + 6607TIP3 OH226129 1.621 -0.518 -1.499 + 6607TIP3 H126130 1.591 -0.513 -1.591 + 6607TIP3 H226131 1.570 -0.592 -1.463 + 6608TIP3 OH226132 2.335 1.006 -2.415 + 6608TIP3 H126133 2.261 0.942 -2.424 + 6608TIP3 H226134 2.408 0.952 -2.451 + 6609TIP3 OH226135 2.797 0.997 -2.403 + 6609TIP3 H126136 2.811 0.916 -2.350 + 6609TIP3 H226137 2.878 0.998 -2.458 + 6610TIP3 OH226138 1.878 0.579 -2.419 + 6610TIP3 H126139 1.895 0.508 -2.355 + 6610TIP3 H226140 1.958 0.571 -2.475 + 6611TIP3 OH226141 2.397 0.711 -2.467 + 6611TIP3 H126142 2.399 0.705 -2.370 + 6611TIP3 H226143 2.396 0.615 -2.490 + 6612TIP3 OH226144 1.981 0.378 -2.184 + 6612TIP3 H126145 1.918 0.323 -2.135 + 6612TIP3 H226146 2.011 0.312 -2.251 + 6613TIP3 OH226147 2.087 0.199 -2.373 + 6613TIP3 H126148 2.082 0.200 -2.470 + 6613TIP3 H226149 2.182 0.187 -2.357 + 6614TIP3 OH226150 3.032 0.440 -2.437 + 6614TIP3 H126151 3.023 0.396 -2.523 + 6614TIP3 H226152 3.021 0.534 -2.464 + 6615TIP3 OH226153 2.059 1.306 -2.260 + 6615TIP3 H126154 2.153 1.323 -2.248 + 6615TIP3 H226155 2.042 1.357 -2.341 + 6616TIP3 OH226156 1.444 0.748 -2.306 + 6616TIP3 H126157 1.539 0.769 -2.288 + 6616TIP3 H226158 1.450 0.671 -2.365 + 6617TIP3 OH226159 1.349 1.259 -1.798 + 6617TIP3 H126160 1.286 1.230 -1.867 + 6617TIP3 H226161 1.341 1.191 -1.732 + 6618TIP3 OH226162 3.145 1.190 -1.332 + 6618TIP3 H126163 3.152 1.202 -1.236 + 6618TIP3 H226164 3.224 1.233 -1.364 + 6619TIP3 OH226165 3.139 1.132 -1.045 + 6619TIP3 H126166 3.070 1.066 -1.069 + 6619TIP3 H226167 3.179 1.094 -0.966 + 6620TIP3 OH226168 3.071 0.578 -2.043 + 6620TIP3 H126169 3.162 0.608 -2.026 + 6620TIP3 H226170 3.061 0.513 -1.971 + 6621TIP3 OH226171 3.117 0.373 -1.846 + 6621TIP3 H126172 3.049 0.317 -1.803 + 6621TIP3 H226173 3.184 0.384 -1.776 + 6622TIP3 OH226174 3.095 0.632 -1.333 + 6622TIP3 H126175 3.154 0.566 -1.375 + 6622TIP3 H226176 3.115 0.713 -1.383 + 6623TIP3 OH226177 2.940 0.921 -1.107 + 6623TIP3 H126178 2.857 0.954 -1.071 + 6623TIP3 H226179 2.908 0.881 -1.191 + 6624TIP3 OH226180 3.144 0.318 -2.189 + 6624TIP3 H126181 3.092 0.347 -2.266 + 6624TIP3 H226182 3.130 0.391 -2.127 + 6625TIP3 OH226183 2.967 0.075 -2.363 + 6625TIP3 H126184 2.996 0.131 -2.436 + 6625TIP3 H226185 2.945 -0.009 -2.408 + 6626TIP3 OH226186 2.908 0.186 -1.766 + 6626TIP3 H126187 2.903 0.090 -1.779 + 6626TIP3 H226188 2.870 0.196 -1.676 + 6627TIP3 OH226189 2.917 -0.191 -2.441 + 6627TIP3 H126190 2.975 -0.242 -2.382 + 6627TIP3 H226191 2.836 -0.245 -2.445 + 6628TIP3 OH226192 2.897 -0.065 -1.948 + 6628TIP3 H126193 2.920 -0.160 -1.940 + 6628TIP3 H226194 2.979 -0.030 -1.987 + 6629TIP3 OH226195 2.917 0.003 -1.395 + 6629TIP3 H126196 3.014 0.011 -1.395 + 6629TIP3 H226197 2.899 0.006 -1.300 + 6630TIP3 OH226198 2.930 0.111 -1.117 + 6630TIP3 H126199 2.845 0.125 -1.074 + 6630TIP3 H226200 2.953 0.200 -1.146 + 6631TIP3 OH226201 2.944 -0.345 -1.949 + 6631TIP3 H126202 2.957 -0.378 -1.859 + 6631TIP3 H226203 2.864 -0.394 -1.977 + 6632TIP3 OH226204 3.141 -0.294 -2.285 + 6632TIP3 H126205 3.173 -0.376 -2.326 + 6632TIP3 H226206 3.223 -0.244 -2.272 + 6633TIP3 OH226207 2.827 1.205 -1.755 + 6633TIP3 H126208 2.877 1.178 -1.834 + 6633TIP3 H226209 2.896 1.242 -1.699 + 6634TIP3 OH226210 1.871 0.981 -1.046 + 6634TIP3 H126211 1.925 0.903 -1.028 + 6634TIP3 H226212 1.932 1.043 -1.088 + 6635TIP3 OH226213 3.020 -0.487 -0.969 + 6635TIP3 H126214 2.935 -0.467 -1.011 + 6635TIP3 H226215 3.033 -0.578 -1.000 + 6636TIP3 OH226216 1.615 1.328 -1.047 + 6636TIP3 H126217 1.541 1.347 -1.108 + 6636TIP3 H226218 1.580 1.262 -0.986 + 6637TIP3 OH226219 1.877 1.247 -1.215 + 6637TIP3 H126220 1.810 1.264 -1.147 + 6637TIP3 H226221 1.866 1.323 -1.274 + 6638TIP3 OH226222 2.317 1.258 -1.268 + 6638TIP3 H126223 2.278 1.304 -1.344 + 6638TIP3 H226224 2.331 1.331 -1.205 + 6639TIP3 OH226225 2.547 1.113 -1.195 + 6639TIP3 H126226 2.464 1.160 -1.211 + 6639TIP3 H226227 2.602 1.181 -1.153 + 6640TIP3 OH226228 2.823 1.283 -1.142 + 6640TIP3 H126229 2.800 1.372 -1.171 + 6640TIP3 H226230 2.823 1.233 -1.225 + 6641TIP3 OH226231 1.773 1.028 -1.552 + 6641TIP3 H126232 1.748 0.952 -1.498 + 6641TIP3 H226233 1.854 1.057 -1.506 + 6642TIP3 OH226234 2.037 1.071 -1.459 + 6642TIP3 H126235 2.050 0.976 -1.478 + 6642TIP3 H226236 2.047 1.071 -1.361 + 6643TIP3 OH226237 2.359 -0.331 -1.533 + 6643TIP3 H126238 2.286 -0.393 -1.512 + 6643TIP3 H226239 2.420 -0.388 -1.583 + 6644TIP3 OH226240 2.856 -0.526 -1.474 + 6644TIP3 H126241 2.934 -0.494 -1.523 + 6644TIP3 H226242 2.782 -0.512 -1.535 + 6645TIP3 OH226243 3.060 -0.427 -1.694 + 6645TIP3 H126244 3.134 -0.472 -1.739 + 6645TIP3 H226245 3.095 -0.337 -1.680 + 6646TIP3 OH226246 1.583 -0.480 -1.775 + 6646TIP3 H126247 1.512 -0.505 -1.834 + 6646TIP3 H226248 1.655 -0.538 -1.804 + 6647TIP3 OH226249 1.459 -0.502 -2.162 + 6647TIP3 H126250 1.520 -0.456 -2.223 + 6647TIP3 H226251 1.423 -0.427 -2.113 + 6648TIP3 OH226252 2.045 -0.498 -1.776 + 6648TIP3 H126253 2.131 -0.456 -1.792 + 6648TIP3 H226254 2.044 -0.500 -1.679 + 6649TIP3 OH226255 2.597 -0.480 -1.640 + 6649TIP3 H126256 2.628 -0.505 -1.728 + 6649TIP3 H226257 2.562 -0.565 -1.607 + 6650TIP3 OH226258 2.711 -0.485 -2.046 + 6650TIP3 H126259 2.627 -0.435 -2.055 + 6650TIP3 H226260 2.677 -0.573 -2.023 + 6651TIP3 OH226261 1.482 1.057 -2.048 + 6651TIP3 H126262 1.422 1.050 -2.125 + 6651TIP3 H226263 1.493 1.152 -2.044 + 6652TIP3 OH226264 1.652 -0.337 -2.324 + 6652TIP3 H126265 1.717 -0.389 -2.374 + 6652TIP3 H226266 1.709 -0.299 -2.254 + 6653TIP3 OH226267 2.165 -0.314 -2.081 + 6653TIP3 H126268 2.188 -0.374 -2.009 + 6653TIP3 H226269 2.172 -0.228 -2.034 + 6654TIP3 OH226270 2.362 1.257 -2.251 + 6654TIP3 H126271 2.460 1.259 -2.256 + 6654TIP3 H226272 2.342 1.193 -2.321 + 6655TIP3 OH226273 3.012 1.160 -1.993 + 6655TIP3 H126274 2.989 1.075 -2.036 + 6655TIP3 H226275 3.009 1.220 -2.069 + 6656TIP3 OH226276 1.638 1.170 -2.383 + 6656TIP3 H126277 1.614 1.200 -2.294 + 6656TIP3 H226278 1.715 1.114 -2.368 + 6657TIP3 OH226279 4.207 0.326 -1.429 + 6657TIP3 H126280 4.288 0.338 -1.375 + 6657TIP3 H226281 4.244 0.305 -1.516 + 6658TIP3 OH226282 3.515 0.311 -1.260 + 6658TIP3 H126283 3.519 0.231 -1.204 + 6658TIP3 H226284 3.595 0.357 -1.233 + 6659TIP3 OH226285 3.583 0.773 -1.409 + 6659TIP3 H126286 3.558 0.682 -1.437 + 6659TIP3 H226287 3.679 0.759 -1.399 + 6660TIP3 OH226288 3.281 0.115 -1.882 + 6660TIP3 H126289 3.236 0.200 -1.870 + 6660TIP3 H226290 3.209 0.060 -1.915 + 6661TIP3 OH226291 3.357 0.358 -1.687 + 6661TIP3 H126292 3.371 0.275 -1.638 + 6661TIP3 H226293 3.439 0.365 -1.737 + 6662TIP3 OH226294 4.117 0.600 -1.367 + 6662TIP3 H126295 4.142 0.521 -1.419 + 6662TIP3 H226296 4.200 0.618 -1.321 + 6663TIP3 OH226297 3.744 -0.165 -1.618 + 6663TIP3 H126298 3.758 -0.080 -1.664 + 6663TIP3 H226299 3.709 -0.218 -1.692 + 6664TIP3 OH226300 3.412 0.109 -1.567 + 6664TIP3 H126301 3.472 0.058 -1.510 + 6664TIP3 H226302 3.418 0.058 -1.650 + 6665TIP3 OH226303 3.950 0.243 -1.619 + 6665TIP3 H126304 4.026 0.191 -1.585 + 6665TIP3 H226305 3.902 0.174 -1.668 + 6666TIP3 OH226306 3.625 -0.284 -1.201 + 6666TIP3 H126307 3.581 -0.238 -1.274 + 6666TIP3 H226308 3.557 -0.276 -1.131 + 6667TIP3 OH226309 3.908 0.508 -1.183 + 6667TIP3 H126310 3.830 0.564 -1.178 + 6667TIP3 H226311 3.975 0.565 -1.225 + 6668TIP3 OH226312 3.583 -0.080 -1.411 + 6668TIP3 H126313 3.649 -0.025 -1.364 + 6668TIP3 H226314 3.641 -0.120 -1.480 + 6669TIP3 OH226315 3.657 0.682 -1.100 + 6669TIP3 H126316 3.682 0.770 -1.133 + 6669TIP3 H226317 3.615 0.700 -1.015 + 6670TIP3 OH226318 3.348 0.660 -2.030 + 6670TIP3 H126319 3.326 0.710 -2.111 + 6670TIP3 H226320 3.364 0.729 -1.963 + 6671TIP3 OH226321 4.044 -0.540 -1.487 + 6671TIP3 H126322 4.016 -0.634 -1.490 + 6671TIP3 H226323 3.964 -0.497 -1.452 + 6672TIP3 OH226324 4.269 0.346 -2.024 + 6672TIP3 H126325 4.200 0.412 -2.037 + 6672TIP3 H226326 4.328 0.364 -2.097 + 6673TIP3 OH226327 4.291 0.194 -2.308 + 6673TIP3 H126328 4.361 0.184 -2.242 + 6673TIP3 H226329 4.293 0.111 -2.356 + 6674TIP3 OH226330 3.759 0.433 -1.731 + 6674TIP3 H126331 3.728 0.387 -1.811 + 6674TIP3 H226332 3.822 0.368 -1.694 + 6675TIP3 OH226333 3.895 0.768 -1.452 + 6675TIP3 H126334 3.888 0.730 -1.541 + 6675TIP3 H226335 3.977 0.725 -1.421 + 6676TIP3 OH226336 3.816 0.321 -1.382 + 6676TIP3 H126337 3.876 0.313 -1.458 + 6676TIP3 H226338 3.866 0.380 -1.322 + 6677TIP3 OH226339 3.905 0.755 -0.901 + 6677TIP3 H126340 3.854 0.814 -0.844 + 6677TIP3 H226341 3.840 0.724 -0.964 + 6678TIP3 OH226342 3.579 0.375 -0.966 + 6678TIP3 H126343 3.576 0.444 -0.899 + 6678TIP3 H226344 3.490 0.377 -1.004 + 6679TIP3 OH226345 4.251 0.958 -1.813 + 6679TIP3 H126346 4.299 1.005 -1.743 + 6679TIP3 H226347 4.199 1.029 -1.853 + 6680TIP3 OH226348 3.694 0.950 -0.816 + 6680TIP3 H126349 3.696 0.971 -0.911 + 6680TIP3 H226350 3.600 0.948 -0.794 + 6681TIP3 OH226351 3.650 0.309 -1.977 + 6681TIP3 H126352 3.628 0.383 -2.035 + 6681TIP3 H226353 3.585 0.242 -2.003 + 6682TIP3 OH226354 3.261 0.867 -1.416 + 6682TIP3 H126355 3.354 0.840 -1.410 + 6682TIP3 H226356 3.251 0.937 -1.350 + 6683TIP3 OH226357 4.172 0.855 -0.955 + 6683TIP3 H126358 4.182 0.939 -0.907 + 6683TIP3 H226359 4.085 0.822 -0.925 + 6684TIP3 OH226360 4.180 1.235 -1.960 + 6684TIP3 H126361 4.206 1.238 -2.053 + 6684TIP3 H226362 4.208 1.320 -1.924 + 6685TIP3 OH226363 3.572 1.149 -1.793 + 6685TIP3 H126364 3.589 1.102 -1.709 + 6685TIP3 H226365 3.491 1.105 -1.823 + 6686TIP3 OH226366 3.797 -0.421 -1.405 + 6686TIP3 H126367 3.714 -0.431 -1.455 + 6686TIP3 H226368 3.772 -0.350 -1.344 + 6687TIP3 OH226369 4.232 -0.487 -0.977 + 6687TIP3 H126370 4.244 -0.561 -0.915 + 6687TIP3 H226371 4.141 -0.504 -1.008 + 6688TIP3 OH226372 4.228 -0.204 -2.315 + 6688TIP3 H126373 4.179 -0.218 -2.232 + 6688TIP3 H226374 4.196 -0.280 -2.365 + 6689TIP3 OH226375 3.780 0.057 -1.263 + 6689TIP3 H126376 3.719 0.064 -1.188 + 6689TIP3 H226377 3.785 0.148 -1.297 + 6690TIP3 OH226378 3.774 0.065 -1.775 + 6690TIP3 H126379 3.678 0.053 -1.790 + 6690TIP3 H226380 3.809 0.043 -1.863 + 6691TIP3 OH226381 4.281 0.115 -1.827 + 6691TIP3 H126382 4.267 0.209 -1.848 + 6691TIP3 H226383 4.371 0.113 -1.794 + 6692TIP3 OH226384 4.249 0.145 -0.744 + 6692TIP3 H126385 4.195 0.065 -0.728 + 6692TIP3 H226386 4.338 0.104 -0.743 + 6693TIP3 OH226387 3.521 0.072 -1.080 + 6693TIP3 H126388 3.543 0.098 -0.990 + 6693TIP3 H226389 3.480 -0.016 -1.065 + 6694TIP3 OH226390 3.863 -0.163 -2.422 + 6694TIP3 H126391 3.825 -0.199 -2.339 + 6694TIP3 H226392 3.785 -0.155 -2.478 + 6695TIP3 OH226393 3.204 -0.174 -1.719 + 6695TIP3 H126394 3.260 -0.182 -1.639 + 6695TIP3 H226395 3.252 -0.224 -1.786 + 6696TIP3 OH226396 3.358 -0.138 -2.145 + 6696TIP3 H126397 3.414 -0.089 -2.209 + 6696TIP3 H226398 3.290 -0.072 -2.125 + 6697TIP3 OH226399 4.344 0.202 -1.138 + 6697TIP3 H126400 4.377 0.136 -1.204 + 6697TIP3 H226401 4.271 0.151 -1.099 + 6698TIP3 OH226402 4.049 -0.192 -1.671 + 6698TIP3 H126403 3.954 -0.190 -1.647 + 6698TIP3 H226404 4.089 -0.182 -1.584 + 6699TIP3 OH226405 3.511 -0.053 -1.806 + 6699TIP3 H126406 3.427 -0.029 -1.849 + 6699TIP3 H226407 3.538 -0.134 -1.852 + 6700TIP3 OH226408 3.873 -0.023 -2.037 + 6700TIP3 H126409 3.969 -0.011 -2.029 + 6700TIP3 H226410 3.846 0.040 -2.106 + 6701TIP3 OH226411 3.720 0.107 -2.259 + 6701TIP3 H126412 3.660 0.075 -2.328 + 6701TIP3 H226413 3.803 0.116 -2.309 + 6702TIP3 OH226414 3.530 0.598 -0.759 + 6702TIP3 H126415 3.617 0.598 -0.714 + 6702TIP3 H226416 3.475 0.580 -0.682 + 6703TIP3 OH226417 4.141 0.045 -1.527 + 6703TIP3 H126418 4.215 0.004 -1.574 + 6703TIP3 H226419 4.161 0.024 -1.435 + 6704TIP3 OH226420 3.683 -0.282 -1.876 + 6704TIP3 H126421 3.626 -0.358 -1.856 + 6704TIP3 H226422 3.766 -0.324 -1.903 + 6705TIP3 OH226423 4.051 -0.087 -1.261 + 6705TIP3 H126424 3.979 -0.023 -1.274 + 6705TIP3 H226425 4.101 -0.047 -1.188 + 6706TIP3 OH226426 4.073 0.547 -2.071 + 6706TIP3 H126427 3.995 0.500 -2.107 + 6706TIP3 H226428 4.050 0.557 -1.976 + 6707TIP3 OH226429 4.192 0.548 -0.950 + 6707TIP3 H126430 4.194 0.532 -0.856 + 6707TIP3 H226431 4.217 0.641 -0.959 + 6708TIP3 OH226432 3.580 0.506 -1.489 + 6708TIP3 H126433 3.633 0.489 -1.569 + 6708TIP3 H226434 3.582 0.419 -1.446 + 6709TIP3 OH226435 4.287 0.691 -2.177 + 6709TIP3 H126436 4.259 0.779 -2.145 + 6709TIP3 H226437 4.214 0.636 -2.143 + 6710TIP3 OH226438 4.002 0.280 -0.764 + 6710TIP3 H126439 3.966 0.247 -0.848 + 6710TIP3 H226440 4.095 0.252 -0.772 + 6711TIP3 OH226441 3.814 0.830 -1.764 + 6711TIP3 H126442 3.858 0.915 -1.779 + 6711TIP3 H226443 3.724 0.849 -1.792 + 6712TIP3 OH226444 3.414 0.310 -2.308 + 6712TIP3 H126445 3.473 0.376 -2.266 + 6712TIP3 H226446 3.327 0.335 -2.270 + 6713TIP3 OH226447 3.994 0.598 -1.808 + 6713TIP3 H126448 3.966 0.689 -1.790 + 6713TIP3 H226449 3.925 0.547 -1.763 + 6714TIP3 OH226450 4.019 1.027 -1.165 + 6714TIP3 H126451 4.077 1.099 -1.198 + 6714TIP3 H226452 4.084 0.974 -1.115 + 6715TIP3 OH226453 3.859 1.119 -1.847 + 6715TIP3 H126454 3.764 1.136 -1.837 + 6715TIP3 H226455 3.898 1.205 -1.822 + 6716TIP3 OH226456 3.430 -0.203 -1.005 + 6716TIP3 H126457 3.337 -0.176 -1.021 + 6716TIP3 H226458 3.417 -0.291 -0.965 + 6717TIP3 OH226459 3.410 0.906 -1.077 + 6717TIP3 H126460 3.458 0.877 -1.156 + 6717TIP3 H226461 3.435 1.000 -1.073 + 6718TIP3 OH226462 3.994 0.837 -2.464 + 6718TIP3 H126463 4.029 0.760 -2.511 + 6718TIP3 H226464 3.957 0.794 -2.385 + 6719TIP3 OH226465 3.885 0.781 -2.188 + 6719TIP3 H126466 3.934 0.729 -2.122 + 6719TIP3 H226467 3.899 0.873 -2.157 + 6720TIP3 OH226468 3.565 0.530 -2.155 + 6720TIP3 H126469 3.493 0.568 -2.099 + 6720TIP3 H226470 3.614 0.611 -2.179 + 6721TIP3 OH226471 4.335 -0.180 -1.093 + 6721TIP3 H126472 4.387 -0.258 -1.071 + 6721TIP3 H226473 4.275 -0.215 -1.161 + 6722TIP3 OH226474 4.167 0.947 -2.137 + 6722TIP3 H126475 4.089 0.999 -2.112 + 6722TIP3 H226476 4.210 1.006 -2.200 + 6723TIP3 OH226477 4.137 -0.087 -1.930 + 6723TIP3 H126478 4.201 -0.019 -1.899 + 6723TIP3 H226479 4.101 -0.112 -1.844 + 6724TIP3 OH226480 4.168 0.013 -1.012 + 6724TIP3 H126481 4.186 0.058 -0.928 + 6724TIP3 H226482 4.234 -0.059 -1.013 + 6725TIP3 OH226483 4.190 -0.385 -1.806 + 6725TIP3 H126484 4.167 -0.302 -1.759 + 6725TIP3 H226485 4.268 -0.357 -1.860 + 6726TIP3 OH226486 3.893 1.055 -2.130 + 6726TIP3 H126487 3.891 1.137 -2.182 + 6726TIP3 H226488 3.881 1.088 -2.039 + 6727TIP3 OH226489 3.770 -0.275 -2.188 + 6727TIP3 H126490 3.769 -0.204 -2.121 + 6727TIP3 H226491 3.848 -0.326 -2.159 + 6728TIP3 OH226492 3.611 0.813 -2.276 + 6728TIP3 H126493 3.685 0.860 -2.234 + 6728TIP3 H226494 3.661 0.760 -2.341 + 6729TIP3 OH226495 3.426 0.031 -2.365 + 6729TIP3 H126496 3.435 0.125 -2.341 + 6729TIP3 H226497 3.338 0.028 -2.403 + 6730TIP3 OH226498 3.517 -0.466 -1.485 + 6730TIP3 H126499 3.497 -0.471 -1.580 + 6730TIP3 H226500 3.484 -0.552 -1.451 + 6731TIP3 OH226501 3.406 0.883 -1.856 + 6731TIP3 H126502 3.327 0.933 -1.834 + 6731TIP3 H226503 3.443 0.934 -1.930 + 6732TIP3 OH226504 3.349 1.131 -0.752 + 6732TIP3 H126505 3.406 1.136 -0.673 + 6732TIP3 H226506 3.279 1.073 -0.722 + 6733TIP3 OH226507 3.817 1.084 -0.568 + 6733TIP3 H126508 3.880 1.016 -0.539 + 6733TIP3 H226509 3.791 1.048 -0.654 + 6734TIP3 OH226510 4.232 1.003 -2.434 + 6734TIP3 H126511 4.148 0.952 -2.430 + 6734TIP3 H226512 4.294 0.928 -2.443 + 6735TIP3 OH226513 3.763 0.579 -2.429 + 6735TIP3 H126514 3.777 0.519 -2.354 + 6735TIP3 H226515 3.849 0.573 -2.474 + 6736TIP3 OH226516 4.003 0.558 -0.697 + 6736TIP3 H126517 3.985 0.586 -0.788 + 6736TIP3 H226518 4.018 0.462 -0.708 + 6737TIP3 OH226519 4.262 0.711 -2.474 + 6737TIP3 H126520 4.276 0.720 -2.378 + 6737TIP3 H226521 4.242 0.616 -2.481 + 6738TIP3 OH226522 3.870 0.385 -2.198 + 6738TIP3 H126523 3.808 0.336 -2.142 + 6738TIP3 H226524 3.901 0.315 -2.258 + 6739TIP3 OH226525 3.796 0.168 -0.964 + 6739TIP3 H126526 3.736 0.243 -0.952 + 6739TIP3 H226527 3.854 0.198 -1.036 + 6740TIP3 OH226528 3.980 0.187 -2.366 + 6740TIP3 H126529 3.969 0.191 -2.463 + 6740TIP3 H226530 4.075 0.199 -2.356 + 6741TIP3 OH226531 4.282 0.413 -0.607 + 6741TIP3 H126532 4.359 0.382 -0.655 + 6741TIP3 H226533 4.266 0.337 -0.549 + 6742TIP3 OH226534 3.860 -0.105 -0.852 + 6742TIP3 H126535 3.859 -0.172 -0.923 + 6742TIP3 H226536 3.837 -0.024 -0.902 + 6743TIP3 OH226537 3.886 -0.261 -1.110 + 6743TIP3 H126538 3.935 -0.205 -1.175 + 6743TIP3 H226539 3.795 -0.259 -1.145 + 6744TIP3 OH226540 4.057 0.281 -1.086 + 6744TIP3 H126541 4.135 0.279 -1.144 + 6744TIP3 H226542 4.031 0.374 -1.093 + 6745TIP3 OH226543 3.663 0.079 -0.667 + 6745TIP3 H126544 3.609 -0.001 -0.685 + 6745TIP3 H226545 3.743 0.059 -0.718 + 6746TIP3 OH226546 3.970 -0.524 -1.075 + 6746TIP3 H126547 3.946 -0.430 -1.092 + 6746TIP3 H226548 3.905 -0.570 -1.130 + 6747TIP3 OH226549 4.102 -0.079 -0.701 + 6747TIP3 H126550 4.062 -0.105 -0.616 + 6747TIP3 H226551 4.027 -0.100 -0.761 + 6748TIP3 OH226552 3.554 -0.178 -0.689 + 6748TIP3 H126553 3.526 -0.230 -0.766 + 6748TIP3 H226554 3.489 -0.207 -0.623 + 6749TIP3 OH226555 3.945 -0.579 -0.792 + 6749TIP3 H126556 4.008 -0.653 -0.792 + 6749TIP3 H226557 3.938 -0.562 -0.888 + 6750TIP3 OH226558 4.035 -0.397 -0.598 + 6750TIP3 H126559 4.008 -0.453 -0.674 + 6750TIP3 H226560 3.971 -0.325 -0.603 + 6751TIP3 OH226561 3.956 1.308 -2.259 + 6751TIP3 H126562 4.052 1.316 -2.251 + 6751TIP3 H226563 3.941 1.357 -2.340 + 6752TIP3 OH226564 3.334 0.753 -2.309 + 6752TIP3 H126565 3.430 0.769 -2.293 + 6752TIP3 H226566 3.336 0.672 -2.364 + 6753TIP3 OH226567 3.235 1.269 -1.833 + 6753TIP3 H126568 3.162 1.233 -1.887 + 6753TIP3 H226569 3.244 1.201 -1.764 + 6754TIP3 OH226570 3.273 1.074 -1.636 + 6754TIP3 H126571 3.242 0.986 -1.606 + 6754TIP3 H226572 3.305 1.108 -1.551 + 6755TIP3 OH226573 3.270 0.398 -1.383 + 6755TIP3 H126574 3.292 0.396 -1.477 + 6755TIP3 H226575 3.355 0.373 -1.341 + 6756TIP3 OH226576 3.347 -0.219 -1.473 + 6756TIP3 H126577 3.387 -0.308 -1.464 + 6756TIP3 H226578 3.420 -0.163 -1.440 + 6757TIP3 OH226579 3.200 0.066 -1.354 + 6757TIP3 H126580 3.256 0.042 -1.429 + 6757TIP3 H226581 3.235 0.153 -1.331 + 6758TIP3 OH226582 3.253 -0.325 -1.966 + 6758TIP3 H126583 3.157 -0.319 -1.983 + 6758TIP3 H226584 3.291 -0.262 -2.030 + 6759TIP3 OH226585 3.255 -0.431 -1.147 + 6759TIP3 H126586 3.187 -0.457 -1.082 + 6759TIP3 H226587 3.200 -0.392 -1.217 + 6760TIP3 OH226588 3.737 0.972 -1.109 + 6760TIP3 H126589 3.716 1.060 -1.146 + 6760TIP3 H226590 3.833 0.972 -1.125 + 6761TIP3 OH226591 4.219 1.137 -0.823 + 6761TIP3 H126592 4.205 1.099 -0.734 + 6761TIP3 H226593 4.314 1.157 -0.818 + 6762TIP3 OH226594 3.466 1.253 -1.084 + 6762TIP3 H126595 3.417 1.326 -1.127 + 6762TIP3 H226596 3.445 1.274 -0.992 + 6763TIP3 OH226597 3.723 1.238 -1.227 + 6763TIP3 H126598 3.646 1.273 -1.179 + 6763TIP3 H226599 3.739 1.309 -1.293 + 6764TIP3 OH226600 4.192 1.228 -1.266 + 6764TIP3 H126601 4.181 1.273 -1.351 + 6764TIP3 H226602 4.263 1.280 -1.225 + 6765TIP3 OH226603 3.434 1.141 -1.389 + 6765TIP3 H126604 3.454 1.120 -1.297 + 6765TIP3 H226605 3.512 1.105 -1.436 + 6766TIP3 OH226606 3.636 1.025 -1.539 + 6766TIP3 H126607 3.625 0.930 -1.518 + 6766TIP3 H226608 3.729 1.040 -1.512 + 6767TIP3 OH226609 3.909 1.070 -1.454 + 6767TIP3 H126610 3.935 0.979 -1.476 + 6767TIP3 H226611 3.923 1.069 -1.358 + 6768TIP3 OH226612 4.265 -0.371 -1.522 + 6768TIP3 H126613 4.182 -0.421 -1.510 + 6768TIP3 H226614 4.299 -0.411 -1.602 + 6769TIP3 OH226615 3.482 -0.469 -1.770 + 6769TIP3 H126616 3.395 -0.485 -1.812 + 6769TIP3 H226617 3.523 -0.557 -1.781 + 6770TIP3 OH226618 3.358 -0.521 -2.181 + 6770TIP3 H126619 3.411 -0.455 -2.230 + 6770TIP3 H226620 3.322 -0.467 -2.108 + 6771TIP3 OH226621 3.929 -0.483 -1.778 + 6771TIP3 H126622 4.023 -0.458 -1.791 + 6771TIP3 H226623 3.928 -0.498 -1.683 + 6772TIP3 OH226624 3.381 1.074 -2.064 + 6772TIP3 H126625 3.316 1.062 -2.135 + 6772TIP3 H226626 3.378 1.171 -2.054 + 6773TIP3 OH226627 3.533 -0.338 -2.337 + 6773TIP3 H126628 3.594 -0.395 -2.388 + 6773TIP3 H226629 3.593 -0.305 -2.267 + 6774TIP3 OH226630 4.064 -0.316 -2.082 + 6774TIP3 H126631 4.071 -0.384 -2.013 + 6774TIP3 H226632 4.060 -0.234 -2.030 + 6775TIP3 OH226633 4.263 1.240 -2.255 + 6775TIP3 H126634 4.351 1.277 -2.271 + 6775TIP3 H226635 4.250 1.180 -2.331 + 6776TIP3 OH226636 3.460 -0.445 -0.818 + 6776TIP3 H126637 3.412 -0.522 -0.781 + 6776TIP3 H226638 3.549 -0.458 -0.783 + 6777TIP3 OH226639 3.705 -0.506 -0.636 + 6777TIP3 H126640 3.784 -0.542 -0.680 + 6777TIP3 H226641 3.661 -0.586 -0.604 + 6778TIP3 OH226642 3.525 1.173 -2.384 + 6778TIP3 H126643 3.500 1.196 -2.293 + 6778TIP3 H226644 3.599 1.111 -2.370 + 6779TIP3 OH226645 -3.158 2.293 -1.743 + 6779TIP3 H126646 -3.163 2.389 -1.735 + 6779TIP3 H226647 -3.237 2.274 -1.797 + 6780TIP3 OH226648 -3.269 2.234 -1.434 + 6780TIP3 H126649 -3.275 2.178 -1.355 + 6780TIP3 H226650 -3.301 2.173 -1.503 + 6781TIP3 OH226651 -4.025 2.192 -1.273 + 6781TIP3 H126652 -4.034 2.120 -1.208 + 6781TIP3 H226653 -3.961 2.250 -1.229 + 6782TIP3 OH226654 -2.898 2.503 -1.599 + 6782TIP3 H126655 -2.948 2.437 -1.550 + 6782TIP3 H226656 -2.891 2.575 -1.535 + 6783TIP3 OH226657 -3.959 2.656 -1.421 + 6783TIP3 H126658 -3.988 2.566 -1.445 + 6783TIP3 H226659 -3.866 2.639 -1.399 + 6784TIP3 OH226660 -4.174 2.102 -1.944 + 6784TIP3 H126661 -4.219 2.166 -1.886 + 6784TIP3 H226662 -4.218 2.021 -1.913 + 6785TIP3 OH226663 -4.212 2.241 -1.698 + 6785TIP3 H126664 -4.188 2.169 -1.637 + 6785TIP3 H226665 -4.127 2.273 -1.728 + 6786TIP3 OH226666 -3.201 3.043 -1.548 + 6786TIP3 H126667 -3.141 2.972 -1.576 + 6786TIP3 H226668 -3.230 3.013 -1.461 + 6787TIP3 OH226669 -3.425 2.485 -1.378 + 6787TIP3 H126670 -3.394 2.414 -1.437 + 6787TIP3 H226671 -3.344 2.500 -1.326 + 6788TIP3 OH226672 -2.561 1.629 -1.313 + 6788TIP3 H126673 -2.525 1.663 -1.230 + 6788TIP3 H226674 -2.493 1.658 -1.376 + 6789TIP3 OH226675 -3.094 1.920 -1.327 + 6789TIP3 H126676 -3.083 1.823 -1.319 + 6789TIP3 H226677 -3.107 1.930 -1.423 + 6790TIP3 OH226678 -3.798 1.720 -1.620 + 6790TIP3 H126679 -3.786 1.806 -1.666 + 6790TIP3 H226680 -3.834 1.667 -1.694 + 6791TIP3 OH226681 -3.014 1.737 -1.788 + 6791TIP3 H126682 -2.957 1.693 -1.721 + 6791TIP3 H226683 -2.948 1.781 -1.842 + 6792TIP3 OH226684 -4.133 2.000 -1.565 + 6792TIP3 H126685 -4.078 1.952 -1.502 + 6792TIP3 H226686 -4.125 1.943 -1.643 + 6793TIP3 OH226687 -3.591 2.131 -1.623 + 6793TIP3 H126688 -3.522 2.075 -1.583 + 6793TIP3 H226689 -3.643 2.065 -1.672 + 6794TIP3 OH226690 -2.464 1.791 -1.068 + 6794TIP3 H126691 -2.542 1.844 -1.088 + 6794TIP3 H226692 -2.481 1.765 -0.976 + 6795TIP3 OH226693 -3.917 1.603 -1.203 + 6795TIP3 H126694 -3.964 1.645 -1.276 + 6795TIP3 H226695 -3.980 1.616 -1.130 + 6796TIP3 OH226696 -3.168 2.576 -1.862 + 6796TIP3 H126697 -3.200 2.552 -1.949 + 6796TIP3 H226698 -3.215 2.660 -1.845 + 6797TIP3 OH226699 -3.625 2.386 -1.190 + 6797TIP3 H126700 -3.699 2.445 -1.164 + 6797TIP3 H226701 -3.564 2.449 -1.235 + 6798TIP3 OH226702 -2.830 1.661 -1.585 + 6798TIP3 H126703 -2.871 1.600 -1.522 + 6798TIP3 H226704 -2.780 1.720 -1.525 + 6799TIP3 OH226705 -3.957 1.808 -1.413 + 6799TIP3 H126706 -3.893 1.864 -1.365 + 6799TIP3 H226707 -3.899 1.769 -1.482 + 6800TIP3 OH226708 -3.827 2.573 -1.117 + 6800TIP3 H126709 -3.830 2.665 -1.149 + 6800TIP3 H226710 -3.916 2.567 -1.077 + 6801TIP3 OH226711 -4.184 2.535 -2.026 + 6801TIP3 H126712 -4.263 2.556 -2.079 + 6801TIP3 H226713 -4.189 2.600 -1.953 + 6802TIP3 OH226714 -2.842 2.684 -1.356 + 6802TIP3 H126715 -2.939 2.693 -1.347 + 6802TIP3 H226716 -2.820 2.773 -1.389 + 6803TIP3 OH226717 -2.815 1.582 -1.197 + 6803TIP3 H126718 -2.890 1.620 -1.247 + 6803TIP3 H226719 -2.741 1.595 -1.259 + 6804TIP3 OH226720 -3.505 1.348 -1.494 + 6804TIP3 H126721 -3.527 1.253 -1.499 + 6804TIP3 H226722 -3.588 1.385 -1.456 + 6805TIP3 OH226723 -3.016 2.880 -1.692 + 6805TIP3 H126724 -2.968 2.805 -1.730 + 6805TIP3 H226725 -2.953 2.953 -1.707 + 6806TIP3 OH226726 -2.873 2.667 -1.833 + 6806TIP3 H126727 -2.925 2.625 -1.904 + 6806TIP3 H226728 -2.883 2.602 -1.761 + 6807TIP3 OH226729 -2.719 2.551 -0.984 + 6807TIP3 H126730 -2.734 2.489 -1.057 + 6807TIP3 H226731 -2.715 2.638 -1.029 + 6808TIP3 OH226732 -3.296 2.242 -2.015 + 6808TIP3 H126733 -3.362 2.303 -2.052 + 6808TIP3 H226734 -3.225 2.247 -2.081 + 6809TIP3 OH226735 -3.267 2.061 -2.309 + 6809TIP3 H126736 -3.197 2.093 -2.249 + 6809TIP3 H226737 -3.215 2.003 -2.368 + 6810TIP3 OH226738 -2.525 2.186 -1.209 + 6810TIP3 H126739 -2.608 2.236 -1.202 + 6810TIP3 H226740 -2.504 2.193 -1.303 + 6811TIP3 OH226741 -2.943 2.243 -1.908 + 6811TIP3 H126742 -3.013 2.265 -1.842 + 6811TIP3 H226743 -2.887 2.183 -1.855 + 6812TIP3 OH226744 -2.957 2.098 -1.025 + 6812TIP3 H126745 -2.957 2.179 -0.972 + 6812TIP3 H226746 -3.027 2.122 -1.089 + 6813TIP3 OH226747 -3.781 2.321 -1.733 + 6813TIP3 H126748 -3.816 2.276 -1.812 + 6813TIP3 H226749 -3.719 2.255 -1.698 + 6814TIP3 OH226750 -3.647 2.660 -1.457 + 6814TIP3 H126751 -3.659 2.622 -1.544 + 6814TIP3 H226752 -3.568 2.613 -1.425 + 6815TIP3 OH226753 -3.726 2.201 -1.383 + 6815TIP3 H126754 -3.668 2.206 -1.461 + 6815TIP3 H226755 -3.687 2.268 -1.323 + 6816TIP3 OH226756 -3.121 2.747 -1.322 + 6816TIP3 H126757 -3.129 2.819 -1.257 + 6816TIP3 H226758 -3.154 2.670 -1.275 + 6817TIP3 OH226759 -3.642 2.632 -0.898 + 6817TIP3 H126760 -3.694 2.698 -0.849 + 6817TIP3 H226761 -3.706 2.605 -0.967 + 6818TIP3 OH226762 -3.049 2.187 -2.162 + 6818TIP3 H126763 -3.002 2.215 -2.081 + 6818TIP3 H226764 -2.999 2.238 -2.231 + 6819TIP3 OH226765 -3.956 2.266 -0.983 + 6819TIP3 H126766 -3.948 2.327 -0.907 + 6819TIP3 H226767 -4.053 2.262 -0.994 + 6820TIP3 OH226768 -3.300 2.847 -1.806 + 6820TIP3 H126769 -3.259 2.879 -1.724 + 6820TIP3 H226770 -3.352 2.924 -1.835 + 6821TIP3 OH226771 -3.835 2.846 -0.814 + 6821TIP3 H126772 -3.844 2.853 -0.911 + 6821TIP3 H226773 -3.927 2.830 -0.785 + 6822TIP3 OH226774 -2.705 1.362 -2.214 + 6822TIP3 H126775 -2.793 1.370 -2.172 + 6822TIP3 H226776 -2.671 1.452 -2.206 + 6823TIP3 OH226777 -3.891 2.191 -1.980 + 6823TIP3 H126778 -3.918 2.268 -2.032 + 6823TIP3 H226779 -3.971 2.135 -1.987 + 6824TIP3 OH226780 -2.567 2.774 -2.356 + 6824TIP3 H126781 -2.552 2.868 -2.336 + 6824TIP3 H226782 -2.480 2.735 -2.337 + 6825TIP3 OH226783 -4.264 2.474 -1.127 + 6825TIP3 H126784 -4.300 2.447 -1.214 + 6825TIP3 H226785 -4.306 2.407 -1.070 + 6826TIP3 OH226786 -4.284 2.758 -1.429 + 6826TIP3 H126787 -4.201 2.711 -1.410 + 6826TIP3 H226788 -4.300 2.805 -1.346 + 6827TIP3 OH226789 -2.443 2.814 -0.833 + 6827TIP3 H126790 -2.455 2.719 -0.847 + 6827TIP3 H226791 -2.534 2.841 -0.805 + 6828TIP3 OH226792 -3.378 2.737 -0.954 + 6828TIP3 H126793 -3.370 2.819 -0.902 + 6828TIP3 H226794 -3.468 2.708 -0.932 + 6829TIP3 OH226795 -3.348 3.119 -1.957 + 6829TIP3 H126796 -3.349 3.129 -2.054 + 6829TIP3 H226797 -3.344 3.211 -1.926 + 6830TIP3 OH226798 -3.976 3.031 -1.794 + 6830TIP3 H126799 -3.953 2.990 -1.708 + 6830TIP3 H226800 -4.056 2.980 -1.814 + 6831TIP3 OH226801 -3.019 3.061 -2.239 + 6831TIP3 H126802 -2.961 2.996 -2.283 + 6831TIP3 H226803 -3.024 3.023 -2.148 + 6832TIP3 OH226804 -3.080 3.003 -1.958 + 6832TIP3 H126805 -3.175 3.019 -1.945 + 6832TIP3 H226806 -3.066 2.931 -1.894 + 6833TIP3 OH226807 -2.771 1.954 -0.788 + 6833TIP3 H126808 -2.815 1.987 -0.867 + 6833TIP3 H226809 -2.755 1.860 -0.813 + 6834TIP3 OH226810 -4.071 2.615 -0.979 + 6834TIP3 H126811 -4.043 2.559 -0.904 + 6834TIP3 H226812 -4.146 2.565 -1.017 + 6835TIP3 OH226813 -3.748 1.465 -1.404 + 6835TIP3 H126814 -3.830 1.453 -1.454 + 6835TIP3 H226815 -3.775 1.535 -1.343 + 6836TIP3 OH226816 -3.308 1.420 -1.036 + 6836TIP3 H126817 -3.257 1.365 -0.973 + 6836TIP3 H226818 -3.399 1.386 -1.025 + 6837TIP3 OH226819 -2.990 1.796 -0.987 + 6837TIP3 H126820 -3.050 1.779 -0.912 + 6837TIP3 H226821 -2.998 1.892 -1.001 + 6838TIP3 OH226822 -2.893 2.293 -2.362 + 6838TIP3 H126823 -2.914 2.277 -2.455 + 6838TIP3 H226824 -2.800 2.320 -2.368 + 6839TIP3 OH226825 -3.330 1.672 -2.312 + 6839TIP3 H126826 -3.379 1.658 -2.229 + 6839TIP3 H226827 -3.370 1.604 -2.368 + 6840TIP3 OH226828 -3.759 1.943 -1.261 + 6840TIP3 H126829 -3.823 1.951 -1.188 + 6840TIP3 H226830 -3.757 2.034 -1.298 + 6841TIP3 OH226831 -3.769 1.949 -1.775 + 6841TIP3 H126832 -3.865 1.944 -1.792 + 6841TIP3 H226833 -3.735 1.931 -1.864 + 6842TIP3 OH226834 -3.207 2.007 -1.895 + 6842TIP3 H126835 -3.249 2.089 -1.930 + 6842TIP3 H226836 -3.139 1.990 -1.963 + 6843TIP3 OH226837 -3.282 2.023 -0.757 + 6843TIP3 H126838 -3.338 1.949 -0.724 + 6843TIP3 H226839 -3.197 2.003 -0.715 + 6844TIP3 OH226840 -3.117 1.947 -1.619 + 6844TIP3 H126841 -3.150 2.003 -1.692 + 6844TIP3 H226842 -3.099 1.865 -1.669 + 6845TIP3 OH226843 -4.017 1.956 -1.081 + 6845TIP3 H126844 -4.001 1.996 -0.994 + 6845TIP3 H226845 -4.054 1.869 -1.055 + 6846TIP3 OH226846 -3.687 1.718 -2.420 + 6846TIP3 H126847 -3.723 1.681 -2.337 + 6846TIP3 H226848 -3.766 1.731 -2.473 + 6847TIP3 OH226849 -4.312 1.711 -1.720 + 6847TIP3 H126850 -4.314 1.697 -1.624 + 6847TIP3 H226851 -4.273 1.629 -1.752 + 6848TIP3 OH226852 -4.214 1.776 -2.125 + 6848TIP3 H126853 -4.150 1.793 -2.197 + 6848TIP3 H226854 -4.298 1.791 -2.171 + 6849TIP3 OH226855 -3.206 2.113 -1.170 + 6849TIP3 H126856 -3.166 2.040 -1.223 + 6849TIP3 H226857 -3.247 2.065 -1.097 + 6850TIP3 OH226858 -3.490 1.710 -1.670 + 6850TIP3 H126859 -3.585 1.704 -1.648 + 6850TIP3 H226860 -3.449 1.687 -1.585 + 6851TIP3 OH226861 -4.037 1.835 -1.811 + 6851TIP3 H126862 -4.127 1.833 -1.846 + 6851TIP3 H226863 -4.001 1.751 -1.845 + 6852TIP3 OH226864 -3.671 1.862 -2.037 + 6852TIP3 H126865 -3.575 1.872 -2.030 + 6852TIP3 H226866 -3.697 1.926 -2.106 + 6853TIP3 OH226867 -3.051 1.622 -1.369 + 6853TIP3 H126868 -3.114 1.622 -1.294 + 6853TIP3 H226869 -3.108 1.587 -1.439 + 6854TIP3 OH226870 -3.825 1.990 -2.260 + 6854TIP3 H126871 -3.883 1.958 -2.330 + 6854TIP3 H226872 -3.743 2.009 -2.309 + 6855TIP3 OH226873 -2.750 3.199 -0.704 + 6855TIP3 H126874 -2.729 3.246 -0.786 + 6855TIP3 H226875 -2.682 3.232 -0.644 + 6856TIP3 OH226876 -3.952 2.462 -0.761 + 6856TIP3 H126877 -3.891 2.467 -0.684 + 6856TIP3 H226878 -4.038 2.471 -0.714 + 6857TIP3 OH226879 -3.387 1.965 -1.487 + 6857TIP3 H126880 -3.318 1.916 -1.535 + 6857TIP3 H226881 -3.407 1.903 -1.414 + 6858TIP3 OH226882 -3.874 1.599 -1.866 + 6858TIP3 H126883 -3.918 1.513 -1.859 + 6858TIP3 H226884 -3.790 1.575 -1.909 + 6859TIP3 OH226885 -3.489 1.812 -1.268 + 6859TIP3 H126886 -3.570 1.865 -1.263 + 6859TIP3 H226887 -3.444 1.832 -1.183 + 6860TIP3 OH226888 -3.479 2.448 -2.075 + 6860TIP3 H126889 -3.555 2.398 -2.110 + 6860TIP3 H226890 -3.498 2.452 -1.979 + 6861TIP3 OH226891 -2.736 2.371 -1.223 + 6861TIP3 H126892 -2.723 2.438 -1.292 + 6861TIP3 H226893 -2.829 2.347 -1.242 + 6862TIP3 OH226894 -3.062 1.731 -2.299 + 6862TIP3 H126895 -3.160 1.728 -2.301 + 6862TIP3 H226896 -3.043 1.803 -2.235 + 6863TIP3 OH226897 -3.309 2.450 -0.942 + 6863TIP3 H126898 -3.343 2.416 -0.858 + 6863TIP3 H226899 -3.343 2.541 -0.943 + 6864TIP3 OH226900 -2.994 1.913 -2.092 + 6864TIP3 H126901 -2.906 1.897 -2.053 + 6864TIP3 H226902 -2.983 2.001 -2.134 + 6865TIP3 OH226903 -3.974 2.381 -1.501 + 6865TIP3 H126904 -3.909 2.370 -1.573 + 6865TIP3 H226905 -3.964 2.298 -1.452 + 6866TIP3 OH226906 -3.238 2.583 -2.182 + 6866TIP3 H126907 -3.264 2.670 -2.144 + 6866TIP3 H226908 -3.313 2.528 -2.155 + 6867TIP3 OH226909 -4.238 2.230 -0.940 + 6867TIP3 H126910 -4.234 2.166 -0.867 + 6867TIP3 H226911 -4.284 2.178 -1.009 + 6868TIP3 OH226912 -3.540 2.164 -0.766 + 6868TIP3 H126913 -3.580 2.137 -0.850 + 6868TIP3 H226914 -3.447 2.138 -0.780 + 6869TIP3 OH226915 -3.086 2.706 -0.995 + 6869TIP3 H126916 -3.183 2.715 -1.002 + 6869TIP3 H226917 -3.071 2.733 -0.903 + 6870TIP3 OH226918 -2.535 1.911 -2.117 + 6870TIP3 H126919 -2.590 1.891 -2.195 + 6870TIP3 H226920 -2.523 2.007 -2.132 + 6871TIP3 OH226921 -2.491 2.513 -0.835 + 6871TIP3 H126922 -2.585 2.537 -0.855 + 6871TIP3 H226923 -2.455 2.505 -0.925 + 6872TIP3 OH226924 -2.714 2.773 -2.108 + 6872TIP3 H126925 -2.734 2.693 -2.057 + 6872TIP3 H226926 -2.661 2.739 -2.182 + 6873TIP3 OH226927 -2.984 2.305 -1.368 + 6873TIP3 H126928 -3.079 2.292 -1.390 + 6873TIP3 H226929 -2.945 2.230 -1.417 + 6874TIP3 OH226930 -3.726 2.715 -1.767 + 6874TIP3 H126931 -3.686 2.802 -1.778 + 6874TIP3 H226932 -3.819 2.733 -1.788 + 6875TIP3 OH226933 -4.155 2.211 -2.297 + 6875TIP3 H126934 -4.081 2.262 -2.257 + 6875TIP3 H226935 -4.228 2.270 -2.279 + 6876TIP3 OH226936 -3.542 2.484 -1.804 + 6876TIP3 H126937 -3.574 2.575 -1.790 + 6876TIP3 H226938 -3.614 2.433 -1.763 + 6877TIP3 OH226939 -3.526 2.910 -1.170 + 6877TIP3 H126940 -3.471 2.985 -1.198 + 6877TIP3 H226941 -3.465 2.862 -1.111 + 6878TIP3 OH226942 -3.681 3.005 -1.845 + 6878TIP3 H126943 -3.777 3.018 -1.837 + 6878TIP3 H226944 -3.647 3.093 -1.821 + 6879TIP3 OH226945 -3.185 2.484 -1.212 + 6879TIP3 H126946 -3.217 2.460 -1.124 + 6879TIP3 H226947 -3.113 2.421 -1.226 + 6880TIP3 OH226948 -2.968 2.615 -2.321 + 6880TIP3 H126949 -2.927 2.569 -2.245 + 6880TIP3 H226950 -3.062 2.602 -2.297 + 6881TIP3 OH226951 -2.889 2.941 -0.976 + 6881TIP3 H126952 -2.967 2.898 -1.015 + 6881TIP3 H226953 -2.882 3.023 -1.028 + 6882TIP3 OH226954 -2.496 3.041 -2.267 + 6882TIP3 H126955 -2.425 3.105 -2.288 + 6882TIP3 H226956 -2.572 3.102 -2.267 + 6883TIP3 OH226957 -4.103 1.690 -0.996 + 6883TIP3 H126958 -4.185 1.715 -1.043 + 6883TIP3 H226959 -4.122 1.601 -0.962 + 6884TIP3 OH226960 -2.872 2.478 -2.081 + 6884TIP3 H126961 -2.900 2.405 -2.023 + 6884TIP3 H226962 -2.775 2.474 -2.073 + 6885TIP3 OH226963 -4.127 2.857 -1.161 + 6885TIP3 H126964 -4.109 2.762 -1.149 + 6885TIP3 H226965 -4.097 2.892 -1.076 + 6886TIP3 OH226966 -3.544 2.720 -2.463 + 6886TIP3 H126967 -3.516 2.641 -2.512 + 6886TIP3 H226968 -3.587 2.680 -2.385 + 6887TIP3 OH226969 -3.662 2.672 -2.192 + 6887TIP3 H126970 -3.611 2.619 -2.128 + 6887TIP3 H226971 -3.647 2.763 -2.159 + 6888TIP3 OH226972 -3.987 2.414 -2.159 + 6888TIP3 H126973 -4.057 2.453 -2.101 + 6888TIP3 H226974 -3.938 2.494 -2.181 + 6889TIP3 OH226975 -3.209 1.666 -1.146 + 6889TIP3 H126976 -3.143 1.685 -1.078 + 6889TIP3 H226977 -3.258 1.590 -1.108 + 6890TIP3 OH226978 -3.146 1.607 -2.024 + 6890TIP3 H126979 -3.128 1.660 -2.103 + 6890TIP3 H226980 -3.101 1.657 -1.954 + 6891TIP3 OH226981 -3.365 2.834 -2.128 + 6891TIP3 H126982 -3.447 2.883 -2.111 + 6891TIP3 H226983 -3.330 2.881 -2.205 + 6892TIP3 OH226984 -3.405 1.806 -1.929 + 6892TIP3 H126985 -3.329 1.867 -1.915 + 6892TIP3 H226986 -3.434 1.790 -1.837 + 6893TIP3 OH226987 -3.369 1.896 -1.012 + 6893TIP3 H126988 -3.360 1.948 -0.931 + 6893TIP3 H226989 -3.313 1.820 -0.996 + 6894TIP3 OH226990 -3.346 1.508 -1.835 + 6894TIP3 H126991 -3.365 1.577 -1.769 + 6894TIP3 H226992 -3.273 1.550 -1.886 + 6895TIP3 OH226993 -3.644 2.942 -2.129 + 6895TIP3 H126994 -3.652 3.023 -2.183 + 6895TIP3 H226995 -3.658 2.977 -2.039 + 6896TIP3 OH226996 -3.774 1.610 -2.178 + 6896TIP3 H126997 -3.766 1.689 -2.122 + 6896TIP3 H226998 -3.693 1.561 -2.153 + 6897TIP3 OH226999 -2.725 1.710 -0.914 + 6897TIP3 H127000 -2.820 1.703 -0.932 + 6897TIP3 H227001 -2.691 1.660 -0.990 + 6898TIP3 OH227002 -2.884 2.078 -1.519 + 6898TIP3 H127003 -2.968 2.037 -1.546 + 6898TIP3 H227004 -2.839 2.003 -1.474 + 6899TIP3 OH227005 -3.931 2.699 -2.276 + 6899TIP3 H127006 -3.855 2.742 -2.234 + 6899TIP3 H227007 -3.885 2.643 -2.340 + 6900TIP3 OH227008 -4.114 1.911 -2.359 + 6900TIP3 H127009 -4.106 2.006 -2.339 + 6900TIP3 H227010 -4.194 1.905 -2.411 + 6901TIP3 OH227011 -2.783 2.962 -1.385 + 6901TIP3 H127012 -2.808 3.042 -1.436 + 6901TIP3 H227013 -2.693 2.987 -1.358 + 6902TIP3 OH227014 -4.023 1.409 -1.489 + 6902TIP3 H127015 -4.059 1.407 -1.579 + 6902TIP3 H227016 -4.067 1.330 -1.449 + 6903TIP3 OH227017 -4.136 2.774 -1.860 + 6903TIP3 H127018 -4.226 2.810 -1.853 + 6903TIP3 H227019 -4.104 2.817 -1.941 + 6904TIP3 OH227020 -4.213 3.053 -0.738 + 6904TIP3 H127021 -4.151 3.052 -0.664 + 6904TIP3 H227022 -4.217 2.957 -0.752 + 6905TIP3 OH227023 -3.724 2.965 -0.565 + 6905TIP3 H127024 -3.657 2.899 -0.545 + 6905TIP3 H227025 -3.750 2.939 -0.654 + 6906TIP3 OH227026 -3.322 2.890 -2.412 + 6906TIP3 H127027 -3.398 2.829 -2.423 + 6906TIP3 H227028 -3.252 2.836 -2.451 + 6907TIP3 OH227029 -3.077 2.790 -0.709 + 6907TIP3 H127030 -3.119 2.711 -0.669 + 6907TIP3 H227031 -3.011 2.814 -0.642 + 6908TIP3 OH227032 -2.860 2.881 -2.402 + 6908TIP3 H127033 -2.844 2.800 -2.352 + 6908TIP3 H227034 -2.782 2.887 -2.459 + 6909TIP3 OH227035 -4.199 2.454 -0.677 + 6909TIP3 H127036 -4.190 2.366 -0.715 + 6909TIP3 H227037 -4.287 2.481 -0.707 + 6910TIP3 OH227038 -3.781 2.463 -2.429 + 6910TIP3 H127039 -3.762 2.405 -2.353 + 6910TIP3 H227040 -3.695 2.461 -2.476 + 6911TIP3 OH227041 -3.537 2.441 -0.698 + 6911TIP3 H127042 -3.570 2.474 -0.783 + 6911TIP3 H227043 -3.532 2.344 -0.713 + 6912TIP3 OH227044 -3.256 2.596 -2.468 + 6912TIP3 H127045 -3.261 2.592 -2.371 + 6912TIP3 H227046 -3.261 2.501 -2.489 + 6913TIP3 OH227047 -2.999 2.401 -0.960 + 6913TIP3 H127048 -2.925 2.463 -0.970 + 6913TIP3 H227049 -3.074 2.462 -0.959 + 6914TIP3 OH227050 -4.134 2.129 -0.698 + 6914TIP3 H127051 -4.056 2.072 -0.710 + 6914TIP3 H227052 -4.124 2.157 -0.605 + 6915TIP3 OH227053 -3.674 2.273 -2.195 + 6915TIP3 H127054 -3.735 2.223 -2.139 + 6915TIP3 H227055 -3.644 2.204 -2.258 + 6916TIP3 OH227056 -3.747 2.051 -0.964 + 6916TIP3 H127057 -3.807 2.127 -0.953 + 6916TIP3 H227058 -3.687 2.083 -1.034 + 6917TIP3 OH227059 -3.576 2.074 -2.370 + 6917TIP3 H127060 -3.579 2.083 -2.467 + 6917TIP3 H227061 -3.480 2.070 -2.354 + 6918TIP3 OH227062 -3.219 2.320 -0.615 + 6918TIP3 H127063 -3.129 2.301 -0.645 + 6918TIP3 H227064 -3.246 2.235 -0.577 + 6919TIP3 OH227065 -2.625 2.325 -2.437 + 6919TIP3 H127066 -2.634 2.283 -2.524 + 6919TIP3 H227067 -2.635 2.419 -2.461 + 6920TIP3 OH227068 -3.687 1.780 -0.854 + 6920TIP3 H127069 -3.684 1.712 -0.924 + 6920TIP3 H227070 -3.710 1.859 -0.906 + 6921TIP3 OH227071 -3.657 1.626 -1.110 + 6921TIP3 H127072 -3.607 1.676 -1.176 + 6921TIP3 H227073 -3.749 1.627 -1.146 + 6922TIP3 OH227074 -3.497 2.171 -1.069 + 6922TIP3 H127075 -3.417 2.163 -1.122 + 6922TIP3 H227076 -3.533 2.256 -1.101 + 6923TIP3 OH227077 -3.044 1.941 -0.579 + 6923TIP3 H127078 -3.016 1.849 -0.596 + 6923TIP3 H227079 -2.959 1.988 -0.585 + 6924TIP3 OH227080 -2.949 2.242 -0.739 + 6924TIP3 H127081 -2.981 2.302 -0.810 + 6924TIP3 H227082 -2.862 2.218 -0.775 + 6925TIP3 OH227083 -3.875 1.966 -0.676 + 6925TIP3 H127084 -3.929 1.884 -0.677 + 6925TIP3 H227085 -3.797 1.937 -0.725 + 6926TIP3 OH227086 -3.583 1.358 -1.077 + 6926TIP3 H127087 -3.604 1.453 -1.092 + 6926TIP3 H227088 -3.654 1.315 -1.129 + 6927TIP3 OH227089 -3.457 1.815 -0.691 + 6927TIP3 H127090 -3.502 1.792 -0.608 + 6927TIP3 H227091 -3.530 1.795 -0.754 + 6928TIP3 OH227092 -3.196 1.716 -0.804 + 6928TIP3 H127093 -3.289 1.718 -0.776 + 6928TIP3 H227094 -3.158 1.658 -0.736 + 6929TIP3 OH227095 -3.027 1.602 -0.564 + 6929TIP3 H127096 -3.026 1.508 -0.591 + 6929TIP3 H227097 -3.095 1.603 -0.495 + 6930TIP3 OH227098 -4.008 1.712 -0.694 + 6930TIP3 H127099 -4.016 1.640 -0.758 + 6930TIP3 H227100 -4.031 1.667 -0.611 + 6931TIP3 OH227101 -3.594 1.312 -0.791 + 6931TIP3 H127102 -3.541 1.231 -0.786 + 6931TIP3 H227103 -3.601 1.323 -0.888 + 6932TIP3 OH227104 -3.494 1.503 -0.610 + 6932TIP3 H127105 -3.523 1.438 -0.677 + 6932TIP3 H227106 -3.572 1.559 -0.600 + 6933TIP3 OH227107 -3.600 3.198 -2.260 + 6933TIP3 H127108 -3.504 3.208 -2.249 + 6933TIP3 H227109 -3.613 3.241 -2.345 + 6934TIP3 OH227110 -4.199 2.687 -2.353 + 6934TIP3 H127111 -4.122 2.682 -2.293 + 6934TIP3 H227112 -4.217 2.594 -2.373 + 6935TIP3 OH227113 -4.273 2.964 -1.640 + 6935TIP3 H127114 -4.276 2.876 -1.599 + 6935TIP3 H227115 -4.244 3.016 -1.564 + 6936TIP3 OH227116 -2.517 3.081 -1.335 + 6936TIP3 H127117 -2.499 3.081 -1.239 + 6936TIP3 H227118 -2.433 3.116 -1.368 + 6937TIP3 OH227119 -2.527 3.030 -1.045 + 6937TIP3 H127120 -2.575 2.954 -1.082 + 6937TIP3 H227121 -2.469 2.985 -0.981 + 6938TIP3 OH227122 -2.726 2.571 -0.617 + 6938TIP3 H127123 -2.815 2.581 -0.578 + 6938TIP3 H227124 -2.680 2.651 -0.586 + 6939TIP3 OH227125 -2.588 2.461 -2.042 + 6939TIP3 H127126 -2.497 2.496 -2.029 + 6939TIP3 H227127 -2.593 2.397 -1.970 + 6940TIP3 OH227128 -2.534 2.257 -1.838 + 6940TIP3 H127129 -2.607 2.201 -1.805 + 6940TIP3 H227130 -2.476 2.264 -1.760 + 6941TIP3 OH227131 -2.700 2.793 -1.120 + 6941TIP3 H127132 -2.767 2.843 -1.071 + 6941TIP3 H227133 -2.748 2.768 -1.201 + 6942TIP3 OH227134 -2.517 2.203 -2.186 + 6942TIP3 H127135 -2.566 2.229 -2.266 + 6942TIP3 H227136 -2.527 2.282 -2.132 + 6943TIP3 OH227137 -2.686 1.958 -2.361 + 6943TIP3 H127138 -2.662 2.018 -2.433 + 6943TIP3 H227139 -2.711 1.877 -2.409 + 6944TIP3 OH227140 -2.743 2.073 -1.764 + 6944TIP3 H127141 -2.750 1.978 -1.783 + 6944TIP3 H227142 -2.784 2.079 -1.675 + 6945TIP3 OH227143 -4.263 2.308 -1.373 + 6945TIP3 H127144 -4.236 2.324 -1.465 + 6945TIP3 H227145 -4.179 2.277 -1.334 + 6946TIP3 OH227146 -2.681 2.260 -0.852 + 6946TIP3 H127147 -2.610 2.196 -0.831 + 6946TIP3 H227148 -2.633 2.343 -0.861 + 6947TIP3 OH227149 -2.523 2.059 -0.741 + 6947TIP3 H127150 -2.607 2.011 -0.753 + 6947TIP3 H227151 -2.460 1.985 -0.737 + 6948TIP3 OH227152 -2.740 1.693 -2.441 + 6948TIP3 H127153 -2.682 1.643 -2.381 + 6948TIP3 H227154 -2.820 1.639 -2.447 + 6949TIP3 OH227155 -2.758 1.822 -1.945 + 6949TIP3 H127156 -2.736 1.727 -1.940 + 6949TIP3 H227157 -2.678 1.856 -1.988 + 6950TIP3 OH227158 -2.732 1.876 -1.401 + 6950TIP3 H127159 -2.634 1.883 -1.402 + 6950TIP3 H227160 -2.747 1.872 -1.306 + 6951TIP3 OH227161 -2.714 1.957 -1.121 + 6951TIP3 H127162 -2.802 1.988 -1.093 + 6951TIP3 H227163 -2.668 2.040 -1.140 + 6952TIP3 OH227164 -4.280 1.819 -0.740 + 6952TIP3 H127165 -4.197 1.776 -0.765 + 6952TIP3 H227166 -4.346 1.748 -0.742 + 6953TIP3 OH227167 -2.712 1.542 -1.949 + 6953TIP3 H127168 -2.701 1.507 -1.859 + 6953TIP3 H227169 -2.792 1.492 -1.979 + 6954TIP3 OH227170 -4.196 1.674 -1.436 + 6954TIP3 H127171 -4.166 1.583 -1.445 + 6954TIP3 H227172 -4.113 1.724 -1.428 + 6955TIP3 OH227173 -4.348 1.957 -1.377 + 6955TIP3 H127174 -4.326 1.883 -1.436 + 6955TIP3 H227175 -4.281 2.021 -1.400 + 6956TIP3 OH227176 -2.515 1.590 -2.282 + 6956TIP3 H127177 -2.485 1.510 -2.327 + 6956TIP3 H227178 -2.433 1.642 -2.275 + 6957TIP3 OH227179 -4.313 1.542 -2.013 + 6957TIP3 H127180 -4.400 1.572 -2.045 + 6957TIP3 H227181 -4.256 1.617 -2.038 + 6958TIP3 OH227182 -2.827 3.086 -1.753 + 6958TIP3 H127183 -2.781 3.066 -1.836 + 6958TIP3 H227184 -2.759 3.131 -1.702 + 6959TIP3 OH227185 -4.296 1.430 -1.176 + 6959TIP3 H127186 -4.360 1.431 -1.101 + 6959TIP3 H227187 -4.332 1.495 -1.239 + 6960TIP3 OH227188 -4.116 2.794 -0.703 + 6960TIP3 H127189 -4.170 2.733 -0.755 + 6960TIP3 H227190 -4.132 2.760 -0.612 + 6961TIP3 OH227191 -3.801 2.860 -1.112 + 6961TIP3 H127192 -3.834 2.943 -1.150 + 6961TIP3 H227193 -3.706 2.869 -1.131 + 6962TIP3 OH227194 -3.351 2.988 -0.813 + 6962TIP3 H127195 -3.338 2.973 -0.718 + 6962TIP3 H227196 -3.268 3.035 -0.837 + 6963TIP3 OH227197 -3.122 3.135 -0.889 + 6963TIP3 H127198 -3.054 3.070 -0.909 + 6963TIP3 H227199 -3.093 3.167 -0.802 + 6964TIP3 OH227200 -2.620 1.417 -0.980 + 6964TIP3 H127201 -2.701 1.435 -1.029 + 6964TIP3 H227202 -2.594 1.332 -1.016 + 6965TIP3 OH227203 -4.069 3.165 -1.089 + 6965TIP3 H127204 -4.139 3.214 -1.137 + 6965TIP3 H227205 -4.101 3.173 -0.998 + 6966TIP3 OH227206 -3.818 3.132 -1.224 + 6966TIP3 H127207 -3.905 3.150 -1.183 + 6966TIP3 H227208 -3.815 3.199 -1.295 + 6967TIP3 OH227209 -3.340 3.132 -1.270 + 6967TIP3 H127210 -3.380 3.176 -1.347 + 6967TIP3 H227211 -3.333 3.206 -1.207 + 6968TIP3 OH227212 -3.108 3.002 -1.179 + 6968TIP3 H127213 -3.193 3.039 -1.210 + 6968TIP3 H227214 -3.052 3.081 -1.179 + 6969TIP3 OH227215 -2.855 3.175 -1.160 + 6969TIP3 H127216 -2.860 3.272 -1.177 + 6969TIP3 H227217 -2.827 3.144 -1.247 + 6970TIP3 OH227218 -4.125 3.041 -1.391 + 6970TIP3 H127219 -4.135 2.995 -1.305 + 6970TIP3 H227220 -4.049 2.992 -1.429 + 6971TIP3 OH227221 -3.909 2.913 -1.541 + 6971TIP3 H127222 -3.927 2.821 -1.513 + 6971TIP3 H227223 -3.820 2.928 -1.507 + 6972TIP3 OH227224 -3.628 2.956 -1.454 + 6972TIP3 H127225 -3.613 2.862 -1.476 + 6972TIP3 H227226 -3.624 2.953 -1.358 + 6973TIP3 OH227227 -3.297 1.545 -1.523 + 6973TIP3 H127228 -3.366 1.477 -1.507 + 6973TIP3 H227229 -3.237 1.497 -1.583 + 6974TIP3 OH227230 -2.796 1.351 -1.477 + 6974TIP3 H127231 -2.725 1.397 -1.526 + 6974TIP3 H227232 -2.875 1.372 -1.529 + 6975TIP3 OH227233 -2.593 1.455 -1.692 + 6975TIP3 H127234 -2.520 1.415 -1.742 + 6975TIP3 H227235 -2.561 1.546 -1.679 + 6976TIP3 OH227236 -4.106 1.403 -1.773 + 6976TIP3 H127237 -4.181 1.371 -1.825 + 6976TIP3 H227238 -4.045 1.327 -1.779 + 6977TIP3 OH227239 -4.184 1.363 -2.192 + 6977TIP3 H127240 -4.131 1.430 -2.239 + 6977TIP3 H227241 -4.233 1.418 -2.128 + 6978TIP3 OH227242 -3.616 1.402 -1.779 + 6978TIP3 H127243 -3.523 1.427 -1.793 + 6978TIP3 H227244 -3.618 1.389 -1.684 + 6979TIP3 OH227245 -3.055 1.402 -1.638 + 6979TIP3 H127246 -3.029 1.384 -1.729 + 6979TIP3 H227247 -3.095 1.317 -1.612 + 6980TIP3 OH227248 -2.944 1.402 -2.042 + 6980TIP3 H127249 -3.027 1.452 -2.055 + 6980TIP3 H227250 -2.979 1.313 -2.024 + 6981TIP3 OH227251 -4.189 2.965 -2.084 + 6981TIP3 H127252 -4.249 2.947 -2.156 + 6981TIP3 H227253 -4.183 3.062 -2.086 + 6982TIP3 OH227254 -4.005 1.553 -2.335 + 6982TIP3 H127255 -3.948 1.493 -2.385 + 6982TIP3 H227256 -3.944 1.582 -2.265 + 6983TIP3 OH227257 -3.498 1.566 -2.075 + 6983TIP3 H127258 -3.466 1.507 -2.006 + 6983TIP3 H227259 -3.478 1.652 -2.035 + 6984TIP3 OH227260 -3.295 3.143 -2.251 + 6984TIP3 H127261 -3.198 3.145 -2.256 + 6984TIP3 H227262 -3.315 3.078 -2.320 + 6985TIP3 OH227263 -2.647 3.046 -1.992 + 6985TIP3 H127264 -2.668 2.963 -2.037 + 6985TIP3 H227265 -2.646 3.109 -2.066 + 6986TIP3 OH227266 -4.079 1.443 -0.816 + 6986TIP3 H127267 -4.125 1.367 -0.778 + 6986TIP3 H227268 -3.988 1.426 -0.787 + 6987TIP3 OH227269 -3.842 1.380 -0.639 + 6987TIP3 H127270 -3.761 1.342 -0.680 + 6987TIP3 H227271 -3.878 1.301 -0.595 + 6988TIP3 OH227272 -4.012 3.065 -2.386 + 6988TIP3 H127273 -4.040 3.082 -2.295 + 6988TIP3 H227274 -3.941 2.999 -2.373 + 6989TIP3 OH227275 -3.012 1.322 -0.621 + 6989TIP3 H127276 -3.016 1.264 -0.543 + 6989TIP3 H227277 -2.924 1.297 -0.658 + 6990TIP3 OH227278 -2.694 2.922 -0.756 + 6990TIP3 H127279 -2.769 2.904 -0.816 + 6990TIP3 H227280 -2.710 3.016 -0.734 + 6991TIP3 OH227281 -1.275 2.290 -1.741 + 6991TIP3 H127282 -1.275 2.386 -1.730 + 6991TIP3 H227283 -1.352 2.278 -1.799 + 6992TIP3 OH227284 -1.391 2.234 -1.433 + 6992TIP3 H127285 -1.389 2.176 -1.355 + 6992TIP3 H227286 -1.416 2.172 -1.503 + 6993TIP3 OH227287 -2.167 2.201 -1.276 + 6993TIP3 H127288 -2.168 2.123 -1.218 + 6993TIP3 H227289 -2.091 2.249 -1.240 + 6994TIP3 OH227290 -1.021 2.507 -1.602 + 6994TIP3 H127291 -1.059 2.437 -1.547 + 6994TIP3 H227292 -0.994 2.572 -1.535 + 6995TIP3 OH227293 -2.079 2.644 -1.422 + 6995TIP3 H127294 -2.063 2.550 -1.442 + 6995TIP3 H227295 -1.990 2.666 -1.387 + 6996TIP3 OH227296 -2.379 2.005 -1.875 + 6996TIP3 H127297 -2.427 2.089 -1.877 + 6996TIP3 H227298 -2.443 1.945 -1.916 + 6997TIP3 OH227299 -2.316 2.266 -1.644 + 6997TIP3 H127300 -2.303 2.176 -1.608 + 6997TIP3 H227301 -2.251 2.266 -1.715 + 6998TIP3 OH227302 -1.324 3.036 -1.549 + 6998TIP3 H127303 -1.255 2.974 -1.578 + 6998TIP3 H227304 -1.340 3.009 -1.458 + 6999TIP3 OH227305 -1.541 2.485 -1.377 + 6999TIP3 H127306 -1.508 2.413 -1.433 + 6999TIP3 H227307 -1.459 2.502 -1.326 + 7000TIP3 OH227308 -0.685 1.638 -1.281 + 7000TIP3 H127309 -0.647 1.690 -1.210 + 7000TIP3 H227310 -0.622 1.653 -1.352 + 7001TIP3 OH227311 -1.217 1.919 -1.327 + 7001TIP3 H127312 -1.189 1.826 -1.322 + 7001TIP3 H227313 -1.220 1.933 -1.423 + 7002TIP3 OH227314 -1.916 1.732 -1.626 + 7002TIP3 H127315 -1.902 1.816 -1.675 + 7002TIP3 H227316 -1.953 1.678 -1.698 + 7003TIP3 OH227317 -1.128 1.735 -1.788 + 7003TIP3 H127318 -1.071 1.694 -1.718 + 7003TIP3 H227319 -1.061 1.780 -1.841 + 7004TIP3 OH227320 -2.248 1.993 -1.569 + 7004TIP3 H127321 -2.184 1.942 -1.516 + 7004TIP3 H227322 -2.240 1.947 -1.655 + 7005TIP3 OH227323 -1.713 2.132 -1.616 + 7005TIP3 H127324 -1.639 2.079 -1.581 + 7005TIP3 H227325 -1.759 2.067 -1.672 + 7006TIP3 OH227326 -2.039 1.632 -1.195 + 7006TIP3 H127327 -2.063 1.693 -1.267 + 7006TIP3 H227328 -2.114 1.642 -1.135 + 7007TIP3 OH227329 -1.286 2.573 -1.863 + 7007TIP3 H127330 -1.314 2.555 -1.954 + 7007TIP3 H227331 -1.328 2.659 -1.845 + 7008TIP3 OH227332 -1.741 2.387 -1.191 + 7008TIP3 H127333 -1.814 2.447 -1.167 + 7008TIP3 H227334 -1.677 2.447 -1.234 + 7009TIP3 OH227335 -0.948 1.661 -1.582 + 7009TIP3 H127336 -0.978 1.593 -1.519 + 7009TIP3 H227337 -0.893 1.716 -1.523 + 7010TIP3 OH227338 -2.073 1.803 -1.413 + 7010TIP3 H127339 -2.010 1.862 -1.367 + 7010TIP3 H227340 -2.019 1.776 -1.490 + 7011TIP3 OH227341 -1.946 2.575 -1.125 + 7011TIP3 H127342 -1.944 2.670 -1.145 + 7011TIP3 H227343 -2.027 2.570 -1.071 + 7012TIP3 OH227344 -2.314 2.546 -2.027 + 7012TIP3 H127345 -2.328 2.590 -2.113 + 7012TIP3 H227346 -2.295 2.620 -1.967 + 7013TIP3 OH227347 -0.965 2.690 -1.354 + 7013TIP3 H127348 -1.061 2.701 -1.352 + 7013TIP3 H227349 -0.937 2.776 -1.389 + 7014TIP3 OH227350 -1.634 1.332 -1.487 + 7014TIP3 H127351 -1.653 1.238 -1.474 + 7014TIP3 H227352 -1.717 1.375 -1.457 + 7015TIP3 OH227353 -1.133 2.882 -1.695 + 7015TIP3 H127354 -1.083 2.806 -1.729 + 7015TIP3 H227355 -1.069 2.955 -1.709 + 7016TIP3 OH227356 -0.987 2.666 -1.836 + 7016TIP3 H127357 -1.043 2.623 -1.902 + 7016TIP3 H227358 -0.996 2.605 -1.760 + 7017TIP3 OH227359 -0.842 2.547 -0.987 + 7017TIP3 H127360 -0.849 2.485 -1.061 + 7017TIP3 H227361 -0.830 2.633 -1.032 + 7018TIP3 OH227362 -1.413 2.242 -2.016 + 7018TIP3 H127363 -1.477 2.305 -2.054 + 7018TIP3 H227364 -1.339 2.250 -2.079 + 7019TIP3 OH227365 -1.379 2.053 -2.307 + 7019TIP3 H127366 -1.312 2.091 -2.247 + 7019TIP3 H227367 -1.323 2.007 -2.370 + 7020TIP3 OH227368 -0.641 2.183 -1.173 + 7020TIP3 H127369 -0.726 2.232 -1.176 + 7020TIP3 H227370 -0.605 2.205 -1.261 + 7021TIP3 OH227371 -1.059 2.241 -1.908 + 7021TIP3 H127372 -1.126 2.264 -1.840 + 7021TIP3 H227373 -0.998 2.186 -1.855 + 7022TIP3 OH227374 -1.069 2.088 -1.003 + 7022TIP3 H127375 -1.060 2.173 -0.958 + 7022TIP3 H227376 -1.131 2.112 -1.074 + 7023TIP3 OH227377 -1.907 2.319 -1.725 + 7023TIP3 H127378 -1.933 2.278 -1.810 + 7023TIP3 H227379 -1.837 2.257 -1.695 + 7024TIP3 OH227380 -1.768 2.654 -1.455 + 7024TIP3 H127381 -1.770 2.623 -1.546 + 7024TIP3 H227382 -1.686 2.614 -1.422 + 7025TIP3 OH227383 -1.854 2.203 -1.378 + 7025TIP3 H127384 -1.795 2.199 -1.456 + 7025TIP3 H227385 -1.807 2.264 -1.318 + 7026TIP3 OH227386 -1.247 2.751 -1.323 + 7026TIP3 H127387 -1.244 2.820 -1.255 + 7026TIP3 H227388 -1.267 2.670 -1.273 + 7027TIP3 OH227389 -1.757 2.633 -0.894 + 7027TIP3 H127390 -1.809 2.702 -0.849 + 7027TIP3 H227391 -1.819 2.606 -0.964 + 7028TIP3 OH227392 -1.164 2.187 -2.162 + 7028TIP3 H127393 -1.117 2.215 -2.081 + 7028TIP3 H227394 -1.114 2.238 -2.231 + 7029TIP3 OH227395 -2.066 2.276 -0.992 + 7029TIP3 H127396 -2.057 2.326 -0.909 + 7029TIP3 H227397 -2.161 2.256 -0.993 + 7030TIP3 OH227398 -1.414 2.848 -1.805 + 7030TIP3 H127399 -1.368 2.876 -1.724 + 7030TIP3 H227400 -1.476 2.921 -1.820 + 7031TIP3 OH227401 -1.943 2.845 -0.818 + 7031TIP3 H127402 -1.958 2.857 -0.913 + 7031TIP3 H227403 -2.033 2.825 -0.783 + 7032TIP3 OH227404 -0.824 1.362 -2.217 + 7032TIP3 H127405 -0.906 1.373 -2.167 + 7032TIP3 H227406 -0.783 1.450 -2.209 + 7033TIP3 OH227407 -2.008 2.196 -1.978 + 7033TIP3 H127408 -2.028 2.271 -2.038 + 7033TIP3 H227409 -2.072 2.130 -2.008 + 7034TIP3 OH227410 -0.681 2.774 -2.359 + 7034TIP3 H127411 -0.667 2.868 -2.336 + 7034TIP3 H227412 -0.594 2.735 -2.337 + 7035TIP3 OH227413 -2.398 2.453 -1.145 + 7035TIP3 H127414 -2.479 2.425 -1.190 + 7035TIP3 H227415 -2.376 2.372 -1.097 + 7036TIP3 OH227416 -0.560 2.813 -0.838 + 7036TIP3 H127417 -0.572 2.717 -0.848 + 7036TIP3 H227418 -0.649 2.838 -0.803 + 7037TIP3 OH227419 -1.491 2.736 -0.952 + 7037TIP3 H127420 -1.482 2.820 -0.902 + 7037TIP3 H227421 -1.582 2.709 -0.930 + 7038TIP3 OH227422 -2.081 3.028 -1.800 + 7038TIP3 H127423 -2.067 2.991 -1.711 + 7038TIP3 H227424 -2.170 2.997 -1.821 + 7039TIP3 OH227425 -1.124 3.064 -2.241 + 7039TIP3 H127426 -1.072 2.993 -2.283 + 7039TIP3 H227427 -1.139 3.030 -2.151 + 7040TIP3 OH227428 -1.200 3.004 -1.963 + 7040TIP3 H127429 -1.293 3.027 -1.949 + 7040TIP3 H227430 -1.187 2.937 -1.894 + 7041TIP3 OH227431 -2.181 2.614 -0.977 + 7041TIP3 H127432 -2.153 2.568 -0.895 + 7041TIP3 H227433 -2.248 2.556 -1.014 + 7042TIP3 OH227434 -1.864 1.476 -1.422 + 7042TIP3 H127435 -1.945 1.426 -1.432 + 7042TIP3 H227436 -1.896 1.567 -1.413 + 7043TIP3 OH227437 -1.431 1.396 -1.016 + 7043TIP3 H127438 -1.379 1.369 -0.938 + 7043TIP3 H227439 -1.516 1.356 -0.995 + 7044TIP3 OH227440 -1.144 1.790 -0.962 + 7044TIP3 H127441 -1.145 1.772 -0.867 + 7044TIP3 H227442 -1.111 1.882 -0.967 + 7045TIP3 OH227443 -1.008 2.291 -2.362 + 7045TIP3 H127444 -1.028 2.277 -2.457 + 7045TIP3 H227445 -0.915 2.321 -2.366 + 7046TIP3 OH227446 -1.452 1.646 -2.326 + 7046TIP3 H127447 -1.495 1.668 -2.242 + 7046TIP3 H227448 -1.507 1.572 -2.353 + 7047TIP3 OH227449 -1.881 1.939 -1.265 + 7047TIP3 H127450 -1.934 1.949 -1.184 + 7047TIP3 H227451 -1.871 2.031 -1.296 + 7048TIP3 OH227452 -1.882 1.958 -1.780 + 7048TIP3 H127453 -1.978 1.950 -1.798 + 7048TIP3 H227454 -1.846 1.935 -1.868 + 7049TIP3 OH227455 -1.323 2.006 -1.897 + 7049TIP3 H127456 -1.363 2.089 -1.931 + 7049TIP3 H227457 -1.253 1.991 -1.963 + 7050TIP3 OH227458 -1.404 2.027 -0.753 + 7050TIP3 H127459 -1.451 1.944 -0.728 + 7050TIP3 H227460 -1.316 2.012 -0.715 + 7051TIP3 OH227461 -1.236 1.946 -1.618 + 7051TIP3 H127462 -1.264 2.003 -1.692 + 7051TIP3 H227463 -1.213 1.865 -1.668 + 7052TIP3 OH227464 -2.145 1.944 -1.084 + 7052TIP3 H127465 -2.115 1.977 -0.998 + 7052TIP3 H227466 -2.214 1.880 -1.059 + 7053TIP3 OH227467 -1.790 1.694 -2.421 + 7053TIP3 H127468 -1.833 1.663 -2.339 + 7053TIP3 H227469 -1.865 1.727 -2.471 + 7054TIP3 OH227470 -2.447 1.711 -1.708 + 7054TIP3 H127471 -2.386 1.686 -1.635 + 7054TIP3 H227472 -2.409 1.666 -1.785 + 7055TIP3 OH227473 -2.297 1.748 -2.143 + 7055TIP3 H127474 -2.243 1.796 -2.209 + 7055TIP3 H227475 -2.368 1.812 -2.126 + 7056TIP3 OH227476 -1.320 2.115 -1.167 + 7056TIP3 H127477 -1.278 2.043 -1.219 + 7056TIP3 H227478 -1.353 2.066 -1.090 + 7057TIP3 OH227479 -1.605 1.706 -1.671 + 7057TIP3 H127480 -1.699 1.706 -1.650 + 7057TIP3 H227481 -1.565 1.687 -1.584 + 7058TIP3 OH227482 -2.144 1.832 -1.810 + 7058TIP3 H127483 -2.229 1.854 -1.852 + 7058TIP3 H227484 -2.119 1.748 -1.853 + 7059TIP3 OH227485 -1.784 1.864 -2.035 + 7059TIP3 H127486 -1.687 1.875 -2.030 + 7059TIP3 H227487 -1.811 1.921 -2.108 + 7060TIP3 OH227488 -1.168 1.618 -1.369 + 7060TIP3 H127489 -1.237 1.630 -1.301 + 7060TIP3 H227490 -1.222 1.588 -1.444 + 7061TIP3 OH227491 -1.936 1.982 -2.259 + 7061TIP3 H127492 -1.997 1.961 -2.333 + 7061TIP3 H227493 -1.857 2.008 -2.309 + 7062TIP3 OH227494 -0.865 3.199 -0.702 + 7062TIP3 H127495 -0.844 3.246 -0.785 + 7062TIP3 H227496 -0.795 3.232 -0.643 + 7063TIP3 OH227497 -2.073 2.462 -0.759 + 7063TIP3 H127498 -2.007 2.474 -0.688 + 7063TIP3 H227499 -2.154 2.459 -0.704 + 7064TIP3 OH227500 -1.505 1.961 -1.492 + 7064TIP3 H127501 -1.428 1.921 -1.535 + 7064TIP3 H227502 -1.519 1.902 -1.415 + 7065TIP3 OH227503 -1.985 1.595 -1.870 + 7065TIP3 H127504 -2.033 1.515 -1.844 + 7065TIP3 H227505 -1.905 1.560 -1.910 + 7066TIP3 OH227506 -1.603 1.809 -1.264 + 7066TIP3 H127507 -1.683 1.865 -1.263 + 7066TIP3 H227508 -1.557 1.837 -1.182 + 7067TIP3 OH227509 -1.594 2.449 -2.077 + 7067TIP3 H127510 -1.671 2.399 -2.111 + 7067TIP3 H227511 -1.613 2.453 -1.980 + 7068TIP3 OH227512 -0.869 2.360 -1.201 + 7068TIP3 H127513 -0.819 2.414 -1.265 + 7068TIP3 H227514 -0.955 2.350 -1.248 + 7069TIP3 OH227515 -1.183 1.729 -2.297 + 7069TIP3 H127516 -1.281 1.730 -2.303 + 7069TIP3 H227517 -1.162 1.803 -2.237 + 7070TIP3 OH227518 -1.431 2.447 -0.944 + 7070TIP3 H127519 -1.457 2.418 -0.856 + 7070TIP3 H227520 -1.457 2.540 -0.944 + 7071TIP3 OH227521 -1.109 1.911 -2.096 + 7071TIP3 H127522 -1.022 1.895 -2.054 + 7071TIP3 H227523 -1.098 2.001 -2.134 + 7072TIP3 OH227524 -2.088 2.388 -1.500 + 7072TIP3 H127525 -2.021 2.375 -1.571 + 7072TIP3 H227526 -2.079 2.303 -1.452 + 7073TIP3 OH227527 -1.352 2.580 -2.180 + 7073TIP3 H127528 -1.378 2.668 -2.146 + 7073TIP3 H227529 -1.429 2.527 -2.155 + 7074TIP3 OH227530 -2.353 2.218 -0.964 + 7074TIP3 H127531 -2.337 2.175 -0.877 + 7074TIP3 H227532 -2.411 2.154 -1.008 + 7075TIP3 OH227533 -1.654 2.172 -0.769 + 7075TIP3 H127534 -1.689 2.144 -0.855 + 7075TIP3 H227535 -1.564 2.136 -0.774 + 7076TIP3 OH227536 -1.201 2.702 -0.996 + 7076TIP3 H127537 -1.297 2.716 -1.002 + 7076TIP3 H227538 -1.183 2.731 -0.905 + 7077TIP3 OH227539 -0.650 1.912 -2.117 + 7077TIP3 H127540 -0.705 1.892 -2.195 + 7077TIP3 H227541 -0.638 2.008 -2.132 + 7078TIP3 OH227542 -0.608 2.512 -0.845 + 7078TIP3 H127543 -0.702 2.534 -0.861 + 7078TIP3 H227544 -0.576 2.503 -0.937 + 7079TIP3 OH227545 -0.831 2.773 -2.110 + 7079TIP3 H127546 -0.850 2.696 -2.055 + 7079TIP3 H227547 -0.775 2.736 -2.180 + 7080TIP3 OH227548 -1.102 2.307 -1.372 + 7080TIP3 H127549 -1.196 2.291 -1.395 + 7080TIP3 H227550 -1.059 2.233 -1.420 + 7081TIP3 OH227551 -1.844 2.717 -1.763 + 7081TIP3 H127552 -1.796 2.800 -1.779 + 7081TIP3 H227553 -1.931 2.740 -1.797 + 7082TIP3 OH227554 -2.240 2.194 -2.303 + 7082TIP3 H127555 -2.183 2.264 -2.267 + 7082TIP3 H227556 -2.329 2.226 -2.276 + 7083TIP3 OH227557 -1.658 2.483 -1.804 + 7083TIP3 H127558 -1.684 2.575 -1.791 + 7083TIP3 H227559 -1.730 2.436 -1.761 + 7084TIP3 OH227560 -1.641 2.909 -1.169 + 7084TIP3 H127561 -1.587 2.986 -1.198 + 7084TIP3 H227562 -1.578 2.862 -1.113 + 7085TIP3 OH227563 -1.792 3.004 -1.846 + 7085TIP3 H127564 -1.888 3.020 -1.847 + 7085TIP3 H227565 -1.761 3.094 -1.826 + 7086TIP3 OH227566 -1.299 2.483 -1.211 + 7086TIP3 H127567 -1.328 2.457 -1.122 + 7086TIP3 H227568 -1.225 2.422 -1.228 + 7087TIP3 OH227569 -1.083 2.612 -2.321 + 7087TIP3 H127570 -1.041 2.569 -2.245 + 7087TIP3 H227571 -1.176 2.600 -2.296 + 7088TIP3 OH227572 -1.005 2.941 -0.974 + 7088TIP3 H127573 -1.082 2.897 -1.017 + 7088TIP3 H227574 -0.995 3.021 -1.027 + 7089TIP3 OH227575 -0.608 3.040 -2.270 + 7089TIP3 H127576 -0.541 3.107 -2.292 + 7089TIP3 H227577 -0.686 3.099 -2.263 + 7090TIP3 OH227578 -0.986 2.475 -2.083 + 7090TIP3 H127579 -1.012 2.404 -2.022 + 7090TIP3 H227580 -0.889 2.475 -2.073 + 7091TIP3 OH227581 -2.244 2.852 -1.168 + 7091TIP3 H127582 -2.210 2.764 -1.147 + 7091TIP3 H227583 -2.227 2.898 -1.085 + 7092TIP3 OH227584 -1.662 2.717 -2.465 + 7092TIP3 H127585 -1.633 2.638 -2.513 + 7092TIP3 H227586 -1.704 2.680 -2.386 + 7093TIP3 OH227587 -1.779 2.684 -2.180 + 7093TIP3 H127588 -1.720 2.631 -2.125 + 7093TIP3 H227589 -1.752 2.775 -2.159 + 7094TIP3 OH227590 -2.090 2.416 -2.150 + 7094TIP3 H127591 -2.164 2.457 -2.101 + 7094TIP3 H227592 -2.044 2.495 -2.183 + 7095TIP3 OH227593 -1.313 1.646 -1.144 + 7095TIP3 H127594 -1.261 1.684 -1.070 + 7095TIP3 H227595 -1.371 1.581 -1.100 + 7096TIP3 OH227596 -1.258 1.605 -2.026 + 7096TIP3 H127597 -1.238 1.661 -2.102 + 7096TIP3 H227598 -1.217 1.655 -1.953 + 7097TIP3 OH227599 -1.493 2.829 -2.127 + 7097TIP3 H127600 -1.569 2.888 -2.112 + 7097TIP3 H227601 -1.438 2.887 -2.182 + 7098TIP3 OH227602 -1.517 1.805 -1.929 + 7098TIP3 H127603 -1.443 1.868 -1.915 + 7098TIP3 H227604 -1.547 1.789 -1.838 + 7099TIP3 OH227605 -1.481 1.896 -1.015 + 7099TIP3 H127606 -1.478 1.947 -0.933 + 7099TIP3 H227607 -1.424 1.821 -0.995 + 7100TIP3 OH227608 -1.460 1.507 -1.833 + 7100TIP3 H127609 -1.482 1.575 -1.767 + 7100TIP3 H227610 -1.387 1.550 -1.882 + 7101TIP3 OH227611 -1.747 2.970 -2.138 + 7101TIP3 H127612 -1.734 3.054 -2.185 + 7101TIP3 H227613 -1.764 3.003 -2.048 + 7102TIP3 OH227614 -1.890 1.612 -2.179 + 7102TIP3 H127615 -1.888 1.690 -2.121 + 7102TIP3 H227616 -1.809 1.565 -2.150 + 7103TIP3 OH227617 -0.819 1.683 -0.968 + 7103TIP3 H127618 -0.912 1.702 -0.955 + 7103TIP3 H227619 -0.807 1.703 -1.061 + 7104TIP3 OH227620 -1.000 2.078 -1.520 + 7104TIP3 H127621 -1.082 2.033 -1.548 + 7104TIP3 H227622 -0.952 2.007 -1.473 + 7105TIP3 OH227623 -2.049 2.693 -2.274 + 7105TIP3 H127624 -1.976 2.744 -2.235 + 7105TIP3 H227625 -2.000 2.647 -2.345 + 7106TIP3 OH227626 -2.234 1.916 -2.363 + 7106TIP3 H127627 -2.223 2.010 -2.339 + 7106TIP3 H227628 -2.320 1.915 -2.406 + 7107TIP3 OH227629 -0.899 2.967 -1.383 + 7107TIP3 H127630 -0.919 3.047 -1.435 + 7107TIP3 H227631 -0.806 2.983 -1.361 + 7108TIP3 OH227632 -2.257 2.763 -1.852 + 7108TIP3 H127633 -2.332 2.823 -1.839 + 7108TIP3 H227634 -2.207 2.812 -1.918 + 7109TIP3 OH227635 -2.310 3.058 -0.743 + 7109TIP3 H127636 -2.253 3.031 -0.668 + 7109TIP3 H227637 -2.350 2.973 -0.770 + 7110TIP3 OH227638 -1.849 2.962 -0.564 + 7110TIP3 H127639 -1.775 2.904 -0.539 + 7110TIP3 H227640 -1.863 2.937 -0.656 + 7111TIP3 OH227641 -1.436 2.882 -2.423 + 7111TIP3 H127642 -1.515 2.824 -2.424 + 7111TIP3 H227643 -1.370 2.821 -2.458 + 7112TIP3 OH227644 -1.197 2.789 -0.708 + 7112TIP3 H127645 -1.234 2.709 -0.666 + 7112TIP3 H227646 -1.127 2.815 -0.645 + 7113TIP3 OH227647 -0.974 2.878 -2.404 + 7113TIP3 H127648 -0.956 2.798 -2.352 + 7113TIP3 H227649 -0.895 2.885 -2.460 + 7114TIP3 OH227650 -2.315 2.425 -0.631 + 7114TIP3 H127651 -2.307 2.332 -0.658 + 7114TIP3 H227652 -2.394 2.453 -0.681 + 7115TIP3 OH227653 -1.895 2.465 -2.427 + 7115TIP3 H127654 -1.876 2.403 -2.354 + 7115TIP3 H227655 -1.810 2.463 -2.475 + 7116TIP3 OH227656 -1.649 2.447 -0.692 + 7116TIP3 H127657 -1.679 2.481 -0.777 + 7116TIP3 H227658 -1.643 2.351 -0.708 + 7117TIP3 OH227659 -1.371 2.595 -2.468 + 7117TIP3 H127660 -1.375 2.591 -2.371 + 7117TIP3 H227661 -1.376 2.500 -2.489 + 7118TIP3 OH227662 -1.114 2.396 -0.946 + 7118TIP3 H127663 -1.037 2.450 -0.970 + 7118TIP3 H227664 -1.185 2.461 -0.954 + 7119TIP3 OH227665 -2.224 2.139 -0.716 + 7119TIP3 H127666 -2.155 2.070 -0.711 + 7119TIP3 H227667 -2.236 2.156 -0.622 + 7120TIP3 OH227668 -1.786 2.271 -2.195 + 7120TIP3 H127669 -1.847 2.220 -2.140 + 7120TIP3 H227670 -1.756 2.203 -2.259 + 7121TIP3 OH227671 -1.866 2.047 -0.975 + 7121TIP3 H127672 -1.916 2.126 -0.948 + 7121TIP3 H227673 -1.797 2.085 -1.033 + 7122TIP3 OH227674 -1.692 2.071 -2.370 + 7122TIP3 H127675 -1.697 2.081 -2.467 + 7122TIP3 H227676 -1.595 2.070 -2.356 + 7123TIP3 OH227677 -1.325 2.327 -0.608 + 7123TIP3 H127678 -1.240 2.302 -0.649 + 7123TIP3 H227679 -1.362 2.241 -0.585 + 7124TIP3 OH227680 -0.738 2.325 -2.437 + 7124TIP3 H127681 -0.749 2.284 -2.524 + 7124TIP3 H227682 -0.750 2.419 -2.460 + 7125TIP3 OH227683 -1.806 1.776 -0.859 + 7125TIP3 H127684 -1.792 1.711 -0.930 + 7125TIP3 H227685 -1.821 1.858 -0.910 + 7126TIP3 OH227686 -1.766 1.619 -1.108 + 7126TIP3 H127687 -1.711 1.666 -1.173 + 7126TIP3 H227688 -1.855 1.626 -1.147 + 7127TIP3 OH227689 -1.615 2.167 -1.074 + 7127TIP3 H127690 -1.530 2.161 -1.119 + 7127TIP3 H227691 -1.645 2.256 -1.101 + 7128TIP3 OH227692 -1.163 1.962 -0.588 + 7128TIP3 H127693 -1.125 1.874 -0.576 + 7128TIP3 H227694 -1.083 2.014 -0.603 + 7129TIP3 OH227695 -1.058 2.238 -0.721 + 7129TIP3 H127696 -1.087 2.301 -0.790 + 7129TIP3 H227697 -0.965 2.226 -0.748 + 7130TIP3 OH227698 -1.982 1.957 -0.675 + 7130TIP3 H127699 -2.042 1.882 -0.671 + 7130TIP3 H227700 -1.903 1.920 -0.719 + 7131TIP3 OH227701 -1.741 1.337 -1.054 + 7131TIP3 H127702 -1.720 1.431 -1.043 + 7131TIP3 H227703 -1.771 1.335 -1.145 + 7132TIP3 OH227704 -1.551 1.804 -0.707 + 7132TIP3 H127705 -1.579 1.781 -0.617 + 7132TIP3 H227706 -1.631 1.779 -0.757 + 7133TIP3 OH227707 -2.141 1.690 -0.705 + 7133TIP3 H127708 -2.114 1.610 -0.750 + 7133TIP3 H227709 -2.141 1.658 -0.612 + 7134TIP3 OH227710 -1.679 1.458 -0.585 + 7134TIP3 H127711 -1.631 1.417 -0.658 + 7134TIP3 H227712 -1.691 1.550 -0.609 + 7135TIP3 OH227713 -2.322 2.632 -2.300 + 7135TIP3 H127714 -2.227 2.656 -2.293 + 7135TIP3 H227715 -2.320 2.560 -2.365 + 7136TIP3 OH227716 -2.422 3.152 -1.833 + 7136TIP3 H127717 -2.495 3.117 -1.887 + 7136TIP3 H227718 -2.415 3.087 -1.762 + 7137TIP3 OH227719 -2.384 2.954 -1.628 + 7137TIP3 H127720 -2.427 2.875 -1.594 + 7137TIP3 H227721 -2.347 2.992 -1.546 + 7138TIP3 OH227722 -0.615 3.071 -1.336 + 7138TIP3 H127723 -0.611 3.081 -1.240 + 7138TIP3 H227724 -0.544 3.130 -1.365 + 7139TIP3 OH227725 -0.639 3.028 -1.048 + 7139TIP3 H127726 -0.692 2.953 -1.082 + 7139TIP3 H227727 -0.587 2.983 -0.979 + 7140TIP3 OH227728 -0.852 2.574 -0.611 + 7140TIP3 H127729 -0.922 2.569 -0.546 + 7140TIP3 H227730 -0.796 2.647 -0.576 + 7141TIP3 OH227731 -0.696 2.462 -2.044 + 7141TIP3 H127732 -0.607 2.497 -2.024 + 7141TIP3 H227733 -0.706 2.399 -1.970 + 7142TIP3 OH227734 -0.649 2.257 -1.842 + 7142TIP3 H127735 -0.720 2.203 -1.803 + 7142TIP3 H227736 -0.584 2.265 -1.770 + 7143TIP3 OH227737 -0.679 2.505 -1.345 + 7143TIP3 H127738 -0.617 2.457 -1.403 + 7143TIP3 H227739 -0.672 2.596 -1.378 + 7144TIP3 OH227740 -0.810 2.797 -1.122 + 7144TIP3 H127741 -0.882 2.839 -1.073 + 7144TIP3 H227742 -0.857 2.763 -1.202 + 7145TIP3 OH227743 -0.631 2.202 -2.187 + 7145TIP3 H127744 -0.680 2.231 -2.266 + 7145TIP3 H227745 -0.642 2.279 -2.129 + 7146TIP3 OH227746 -0.803 1.959 -2.362 + 7146TIP3 H127747 -0.776 2.019 -2.433 + 7146TIP3 H227748 -0.825 1.877 -2.410 + 7147TIP3 OH227749 -0.863 2.072 -1.765 + 7147TIP3 H127750 -0.867 1.976 -1.780 + 7147TIP3 H227751 -0.898 2.081 -1.674 + 7148TIP3 OH227752 -0.778 2.242 -0.819 + 7148TIP3 H127753 -0.702 2.183 -0.819 + 7148TIP3 H227754 -0.739 2.326 -0.849 + 7149TIP3 OH227755 -0.854 1.693 -2.439 + 7149TIP3 H127756 -0.791 1.645 -2.382 + 7149TIP3 H227757 -0.932 1.636 -2.441 + 7150TIP3 OH227758 -0.876 1.820 -1.946 + 7150TIP3 H127759 -0.850 1.726 -1.940 + 7150TIP3 H227760 -0.795 1.857 -1.987 + 7151TIP3 OH227761 -0.848 1.880 -1.400 + 7151TIP3 H127762 -0.751 1.888 -1.403 + 7151TIP3 H227763 -0.861 1.881 -1.304 + 7152TIP3 OH227764 -0.840 1.946 -1.127 + 7152TIP3 H127765 -0.909 1.991 -1.076 + 7152TIP3 H227766 -0.770 2.013 -1.131 + 7153TIP3 OH227767 -2.408 1.790 -0.756 + 7153TIP3 H127768 -2.315 1.765 -0.736 + 7153TIP3 H227769 -2.455 1.709 -0.731 + 7154TIP3 OH227770 -0.826 1.541 -1.948 + 7154TIP3 H127771 -0.814 1.507 -1.857 + 7154TIP3 H227772 -0.905 1.492 -1.976 + 7155TIP3 OH227773 -2.291 1.625 -1.479 + 7155TIP3 H127774 -2.241 1.543 -1.467 + 7155TIP3 H227775 -2.230 1.692 -1.444 + 7156TIP3 OH227776 -2.453 1.928 -1.376 + 7156TIP3 H127777 -2.394 1.927 -1.453 + 7156TIP3 H227778 -2.409 1.990 -1.317 + 7157TIP3 OH227779 -0.631 1.590 -2.285 + 7157TIP3 H127780 -0.598 1.510 -2.328 + 7157TIP3 H227781 -0.549 1.641 -2.271 + 7158TIP3 OH227782 -2.406 1.569 -1.955 + 7158TIP3 H127783 -2.499 1.566 -1.982 + 7158TIP3 H227784 -2.364 1.622 -2.026 + 7159TIP3 OH227785 -0.938 3.078 -1.755 + 7159TIP3 H127786 -0.889 3.063 -1.837 + 7159TIP3 H227787 -0.875 3.128 -1.702 + 7160TIP3 OH227788 -2.200 2.760 -0.679 + 7160TIP3 H127789 -2.272 2.760 -0.744 + 7160TIP3 H227790 -2.247 2.755 -0.595 + 7161TIP3 OH227791 -1.917 2.857 -1.117 + 7161TIP3 H127792 -1.948 2.944 -1.150 + 7161TIP3 H227793 -1.821 2.868 -1.132 + 7162TIP3 OH227794 -1.465 2.986 -0.812 + 7162TIP3 H127795 -1.452 2.975 -0.717 + 7162TIP3 H227796 -1.384 3.034 -0.838 + 7163TIP3 OH227797 -1.238 3.134 -0.889 + 7163TIP3 H127798 -1.168 3.070 -0.911 + 7163TIP3 H227799 -1.208 3.166 -0.802 + 7164TIP3 OH227800 -2.183 3.149 -1.080 + 7164TIP3 H127801 -2.239 3.215 -1.126 + 7164TIP3 H227802 -2.214 3.161 -0.989 + 7165TIP3 OH227803 -1.932 3.128 -1.227 + 7165TIP3 H127804 -2.015 3.153 -1.183 + 7165TIP3 H227805 -1.923 3.199 -1.294 + 7166TIP3 OH227806 -1.457 3.131 -1.269 + 7166TIP3 H127807 -1.491 3.175 -1.349 + 7166TIP3 H227808 -1.446 3.207 -1.209 + 7167TIP3 OH227809 -1.223 3.002 -1.179 + 7167TIP3 H127810 -1.308 3.039 -1.211 + 7167TIP3 H227811 -1.167 3.081 -1.179 + 7168TIP3 OH227812 -0.968 3.175 -1.159 + 7168TIP3 H127813 -0.974 3.270 -1.179 + 7168TIP3 H227814 -0.943 3.140 -1.246 + 7169TIP3 OH227815 -2.226 3.030 -1.390 + 7169TIP3 H127816 -2.229 2.981 -1.305 + 7169TIP3 H227817 -2.144 2.993 -1.428 + 7170TIP3 OH227818 -2.020 2.910 -1.541 + 7170TIP3 H127819 -2.028 2.816 -1.518 + 7170TIP3 H227820 -1.928 2.931 -1.515 + 7171TIP3 OH227821 -1.749 2.953 -1.453 + 7171TIP3 H127822 -1.723 2.862 -1.475 + 7171TIP3 H227823 -1.737 2.954 -1.357 + 7172TIP3 OH227824 -1.419 1.535 -1.519 + 7172TIP3 H127825 -1.485 1.465 -1.506 + 7172TIP3 H227826 -1.356 1.491 -1.579 + 7173TIP3 OH227827 -0.924 1.362 -1.462 + 7173TIP3 H127828 -0.838 1.370 -1.505 + 7173TIP3 H227829 -0.986 1.362 -1.537 + 7174TIP3 OH227830 -0.713 1.454 -1.688 + 7174TIP3 H127831 -0.639 1.411 -1.735 + 7174TIP3 H227832 -0.679 1.545 -1.676 + 7175TIP3 OH227833 -2.167 1.417 -1.730 + 7175TIP3 H127834 -2.253 1.405 -1.774 + 7175TIP3 H227835 -2.129 1.328 -1.737 + 7176TIP3 OH227836 -2.294 1.365 -2.181 + 7176TIP3 H127837 -2.244 1.431 -2.232 + 7176TIP3 H227838 -2.335 1.418 -2.111 + 7177TIP3 OH227839 -1.730 1.393 -1.778 + 7177TIP3 H127840 -1.637 1.420 -1.790 + 7177TIP3 H227841 -1.734 1.380 -1.683 + 7178TIP3 OH227842 -1.174 1.404 -1.639 + 7178TIP3 H127843 -1.138 1.389 -1.727 + 7178TIP3 H227844 -1.207 1.316 -1.615 + 7179TIP3 OH227845 -1.058 1.401 -2.044 + 7179TIP3 H127846 -1.140 1.453 -2.053 + 7179TIP3 H227847 -1.093 1.314 -2.016 + 7180TIP3 OH227848 -2.281 2.958 -2.059 + 7180TIP3 H127849 -2.340 2.950 -2.136 + 7180TIP3 H227850 -2.276 3.055 -2.053 + 7181TIP3 OH227851 -2.123 1.548 -2.336 + 7181TIP3 H127852 -2.061 1.493 -2.387 + 7181TIP3 H227853 -2.065 1.582 -2.265 + 7182TIP3 OH227854 -1.608 1.561 -2.078 + 7182TIP3 H127855 -1.581 1.505 -2.003 + 7182TIP3 H227856 -1.593 1.649 -2.039 + 7183TIP3 OH227857 -1.401 3.109 -2.252 + 7183TIP3 H127858 -1.307 3.126 -2.262 + 7183TIP3 H227859 -1.423 3.056 -2.330 + 7184TIP3 OH227860 -0.755 3.047 -1.994 + 7184TIP3 H127861 -0.781 2.964 -2.038 + 7184TIP3 H227862 -0.769 3.112 -2.065 + 7185TIP3 OH227863 -2.139 3.046 -2.383 + 7185TIP3 H127864 -2.153 3.086 -2.296 + 7185TIP3 H227865 -2.053 3.002 -2.372 + 7186TIP3 OH227866 -0.809 2.923 -0.753 + 7186TIP3 H127867 -0.884 2.902 -0.812 + 7186TIP3 H227868 -0.827 3.017 -0.733 + 7187TIP3 OH227869 0.497 2.233 -1.443 + 7187TIP3 H127870 0.489 2.176 -1.365 + 7187TIP3 H227871 0.474 2.173 -1.515 + 7188TIP3 OH227872 -0.266 2.168 -1.250 + 7188TIP3 H127873 -0.247 2.105 -1.180 + 7188TIP3 H227874 -0.185 2.222 -1.249 + 7189TIP3 OH227875 0.878 2.518 -1.603 + 7189TIP3 H127876 0.829 2.442 -1.570 + 7189TIP3 H227877 0.894 2.569 -1.522 + 7190TIP3 OH227878 -0.167 2.673 -1.445 + 7190TIP3 H127879 -0.212 2.586 -1.452 + 7190TIP3 H227880 -0.099 2.649 -1.380 + 7191TIP3 OH227881 -0.497 1.997 -1.878 + 7191TIP3 H127882 -0.536 2.085 -1.872 + 7191TIP3 H227883 -0.567 1.948 -1.924 + 7192TIP3 OH227884 -0.402 2.227 -1.676 + 7192TIP3 H127885 -0.383 2.144 -1.629 + 7192TIP3 H227886 -0.324 2.234 -1.733 + 7193TIP3 OH227887 0.570 3.045 -1.543 + 7193TIP3 H127888 0.627 2.974 -1.580 + 7193TIP3 H227889 0.548 3.006 -1.457 + 7194TIP3 OH227890 0.340 2.486 -1.377 + 7194TIP3 H127891 0.372 2.420 -1.440 + 7194TIP3 H227892 0.423 2.500 -1.327 + 7195TIP3 OH227893 1.213 1.642 -1.314 + 7195TIP3 H127894 1.235 1.705 -1.244 + 7195TIP3 H227895 1.274 1.673 -1.384 + 7196TIP3 OH227896 0.658 1.911 -1.335 + 7196TIP3 H127897 0.693 1.820 -1.338 + 7196TIP3 H227898 0.667 1.939 -1.427 + 7197TIP3 OH227899 -0.049 1.698 -1.615 + 7197TIP3 H127900 -0.036 1.792 -1.632 + 7197TIP3 H227901 -0.079 1.665 -1.701 + 7198TIP3 OH227902 0.757 1.739 -1.789 + 7198TIP3 H127903 0.813 1.700 -1.719 + 7198TIP3 H227904 0.824 1.783 -1.843 + 7199TIP3 OH227905 -0.326 1.970 -1.547 + 7199TIP3 H127906 -0.257 1.920 -1.503 + 7199TIP3 H227907 -0.325 1.930 -1.636 + 7200TIP3 OH227908 0.173 2.128 -1.611 + 7200TIP3 H127909 0.238 2.070 -1.567 + 7200TIP3 H227910 0.126 2.063 -1.666 + 7201TIP3 OH227911 1.289 1.784 -1.043 + 7201TIP3 H127912 1.228 1.851 -1.078 + 7201TIP3 H227913 1.242 1.756 -0.963 + 7202TIP3 OH227914 0.610 2.590 -1.859 + 7202TIP3 H127915 0.574 2.518 -1.911 + 7202TIP3 H227916 0.538 2.655 -1.852 + 7203TIP3 OH227917 0.147 2.385 -1.185 + 7203TIP3 H127918 0.070 2.444 -1.173 + 7203TIP3 H227919 0.210 2.442 -1.233 + 7204TIP3 OH227920 0.925 1.658 -1.574 + 7204TIP3 H127921 0.919 1.583 -1.515 + 7204TIP3 H227922 0.985 1.718 -1.526 + 7205TIP3 OH227923 -0.065 2.581 -1.148 + 7205TIP3 H127924 -0.063 2.678 -1.142 + 7205TIP3 H227925 -0.140 2.559 -1.089 + 7206TIP3 OH227926 -0.425 2.560 -2.022 + 7206TIP3 H127927 -0.443 2.599 -2.109 + 7206TIP3 H227928 -0.406 2.638 -1.967 + 7207TIP3 OH227929 0.920 2.691 -1.348 + 7207TIP3 H127930 0.823 2.701 -1.350 + 7207TIP3 H227931 0.948 2.775 -1.390 + 7208TIP3 OH227932 0.946 1.592 -1.200 + 7208TIP3 H127933 0.869 1.621 -1.252 + 7208TIP3 H227934 1.021 1.607 -1.260 + 7209TIP3 OH227935 0.748 2.884 -1.695 + 7209TIP3 H127936 0.791 2.800 -1.723 + 7209TIP3 H227937 0.819 2.949 -1.710 + 7210TIP3 OH227938 0.893 2.667 -1.839 + 7210TIP3 H127939 0.839 2.615 -1.901 + 7210TIP3 H227940 0.889 2.607 -1.761 + 7211TIP3 OH227941 1.047 2.553 -0.985 + 7211TIP3 H127942 1.040 2.485 -1.055 + 7211TIP3 H227943 1.062 2.634 -1.037 + 7212TIP3 OH227944 0.511 2.082 -2.309 + 7212TIP3 H127945 0.569 2.090 -2.232 + 7212TIP3 H227946 0.562 2.022 -2.365 + 7213TIP3 OH227947 1.228 2.168 -1.190 + 7213TIP3 H127948 1.155 2.233 -1.181 + 7213TIP3 H227949 1.274 2.204 -1.269 + 7214TIP3 OH227950 0.822 2.081 -1.015 + 7214TIP3 H127951 0.817 2.160 -0.958 + 7214TIP3 H227952 0.754 2.103 -1.080 + 7215TIP3 OH227953 -0.010 2.325 -1.735 + 7215TIP3 H127954 -0.046 2.274 -1.811 + 7215TIP3 H227955 0.051 2.261 -1.694 + 7216TIP3 OH227956 0.121 2.672 -1.501 + 7216TIP3 H127957 0.146 2.595 -1.555 + 7216TIP3 H227958 0.191 2.663 -1.433 + 7217TIP3 OH227959 0.024 2.210 -1.377 + 7217TIP3 H127960 0.089 2.186 -1.446 + 7217TIP3 H227961 0.081 2.253 -1.310 + 7218TIP3 OH227962 0.634 2.755 -1.324 + 7218TIP3 H127963 0.643 2.817 -1.250 + 7218TIP3 H227964 0.616 2.670 -1.279 + 7219TIP3 OH227965 0.131 2.634 -0.899 + 7219TIP3 H127966 0.081 2.700 -0.846 + 7219TIP3 H227967 0.065 2.608 -0.965 + 7220TIP3 OH227968 -0.188 2.310 -0.999 + 7220TIP3 H127969 -0.166 2.334 -0.907 + 7220TIP3 H227970 -0.275 2.270 -0.991 + 7221TIP3 OH227971 0.458 2.848 -1.803 + 7221TIP3 H127972 0.523 2.867 -1.734 + 7221TIP3 H227973 0.430 2.935 -1.834 + 7222TIP3 OH227974 -0.060 2.849 -0.815 + 7222TIP3 H127975 -0.073 2.853 -0.911 + 7222TIP3 H227976 -0.149 2.828 -0.780 + 7223TIP3 OH227977 1.066 1.355 -2.208 + 7223TIP3 H127978 0.977 1.371 -2.169 + 7223TIP3 H227979 1.102 1.445 -2.212 + 7224TIP3 OH227980 -0.126 2.197 -1.973 + 7224TIP3 H127981 -0.141 2.268 -2.037 + 7224TIP3 H227982 -0.186 2.128 -2.004 + 7225TIP3 OH227983 1.204 2.775 -2.361 + 7225TIP3 H127984 1.221 2.867 -2.334 + 7225TIP3 H227985 1.290 2.733 -2.340 + 7226TIP3 OH227986 -0.515 2.458 -1.104 + 7226TIP3 H127987 -0.560 2.463 -1.191 + 7226TIP3 H227988 -0.502 2.363 -1.096 + 7227TIP3 OH227989 -0.512 2.753 -1.413 + 7227TIP3 H127990 -0.420 2.730 -1.400 + 7227TIP3 H227991 -0.526 2.817 -1.341 + 7228TIP3 OH227992 1.328 2.815 -0.835 + 7228TIP3 H127993 1.318 2.720 -0.852 + 7228TIP3 H227994 1.237 2.838 -0.805 + 7229TIP3 OH227995 0.392 2.741 -0.959 + 7229TIP3 H127996 0.400 2.822 -0.905 + 7229TIP3 H227997 0.304 2.708 -0.933 + 7230TIP3 OH227998 0.417 3.117 -1.954 + 7230TIP3 H127999 0.422 3.123 -2.052 + 7230TIP3 H228000 0.426 3.210 -1.927 + 7231TIP3 OH228001 0.754 3.063 -2.239 + 7231TIP3 H128002 0.809 2.996 -2.284 + 7231TIP3 H228003 0.748 3.024 -2.150 + 7232TIP3 OH228004 0.693 3.007 -1.957 + 7232TIP3 H128005 0.597 3.013 -1.946 + 7232TIP3 H228006 0.713 2.930 -1.900 + 7233TIP3 OH228007 1.036 1.973 -0.812 + 7233TIP3 H128008 0.970 2.009 -0.872 + 7233TIP3 H228009 1.034 1.878 -0.834 + 7234TIP3 OH228010 -0.294 2.613 -0.976 + 7234TIP3 H128011 -0.264 2.562 -0.899 + 7234TIP3 H228012 -0.366 2.557 -1.011 + 7235TIP3 OH228013 0.035 1.435 -1.384 + 7235TIP3 H128014 -0.049 1.396 -1.410 + 7235TIP3 H228015 0.010 1.514 -1.338 + 7236TIP3 OH228016 0.858 2.254 -2.342 + 7236TIP3 H128017 0.843 2.255 -2.438 + 7236TIP3 H228018 0.940 2.305 -2.333 + 7237TIP3 OH228019 0.453 1.668 -2.318 + 7237TIP3 H128020 0.396 1.674 -2.240 + 7237TIP3 H228021 0.398 1.612 -2.375 + 7238TIP3 OH228022 0.004 1.954 -1.775 + 7238TIP3 H128023 -0.090 1.936 -1.790 + 7238TIP3 H228024 0.042 1.927 -1.861 + 7239TIP3 OH228025 0.623 1.958 -1.643 + 7239TIP3 H128026 0.630 2.032 -1.709 + 7239TIP3 H228027 0.658 1.885 -1.697 + 7240TIP3 OH228028 0.096 1.729 -2.418 + 7240TIP3 H128029 0.060 1.683 -2.340 + 7240TIP3 H228030 0.020 1.733 -2.477 + 7241TIP3 OH228031 -0.570 1.700 -1.707 + 7241TIP3 H128032 -0.504 1.701 -1.635 + 7241TIP3 H228033 -0.520 1.664 -1.782 + 7242TIP3 OH228034 -0.414 1.747 -2.146 + 7242TIP3 H128035 -0.356 1.796 -2.208 + 7242TIP3 H228036 -0.482 1.814 -2.127 + 7243TIP3 OH228037 0.553 2.112 -1.169 + 7243TIP3 H128038 0.601 2.048 -1.225 + 7243TIP3 H228039 0.521 2.053 -1.098 + 7244TIP3 OH228040 0.262 1.702 -1.675 + 7244TIP3 H128041 0.168 1.705 -1.651 + 7244TIP3 H228042 0.304 1.710 -1.588 + 7245TIP3 OH228043 -0.263 1.834 -1.807 + 7245TIP3 H128044 -0.346 1.860 -1.851 + 7245TIP3 H228045 -0.236 1.754 -1.856 + 7246TIP3 OH228046 0.109 1.866 -2.035 + 7246TIP3 H128047 0.205 1.880 -2.030 + 7246TIP3 H228048 0.081 1.923 -2.109 + 7247TIP3 OH228049 0.690 1.620 -1.340 + 7247TIP3 H128050 0.618 1.625 -1.276 + 7247TIP3 H228051 0.640 1.595 -1.421 + 7248TIP3 OH228052 -0.052 1.988 -2.265 + 7248TIP3 H128053 -0.107 1.952 -2.336 + 7248TIP3 H228054 0.031 2.006 -2.311 + 7249TIP3 OH228055 1.019 3.201 -0.703 + 7249TIP3 H128056 1.043 3.246 -0.786 + 7249TIP3 H228057 1.090 3.231 -0.644 + 7250TIP3 OH228058 -0.183 2.455 -0.739 + 7250TIP3 H128059 -0.111 2.469 -0.676 + 7250TIP3 H228060 -0.259 2.463 -0.680 + 7251TIP3 OH228061 0.370 1.936 -1.468 + 7251TIP3 H128062 0.449 1.919 -1.521 + 7251TIP3 H228063 0.388 1.887 -1.386 + 7252TIP3 OH228064 -0.098 1.600 -1.875 + 7252TIP3 H128065 -0.141 1.516 -1.853 + 7252TIP3 H228066 -0.013 1.570 -1.911 + 7253TIP3 OH228067 0.294 2.448 -2.065 + 7253TIP3 H128068 0.240 2.380 -2.109 + 7253TIP3 H228069 0.306 2.413 -1.976 + 7254TIP3 OH228070 1.015 2.363 -1.200 + 7254TIP3 H128071 1.065 2.416 -1.266 + 7254TIP3 H228072 0.930 2.349 -1.246 + 7255TIP3 OH228073 0.722 1.732 -2.312 + 7255TIP3 H128074 0.624 1.726 -2.311 + 7255TIP3 H228075 0.739 1.805 -2.248 + 7256TIP3 OH228076 0.448 2.444 -0.936 + 7256TIP3 H128077 0.425 2.418 -0.846 + 7256TIP3 H228078 0.422 2.537 -0.938 + 7257TIP3 OH228079 0.769 1.928 -2.124 + 7257TIP3 H128080 0.831 1.914 -2.050 + 7257TIP3 H228081 0.769 2.025 -2.126 + 7258TIP3 OH228082 -0.188 2.375 -1.486 + 7258TIP3 H128083 -0.132 2.372 -1.565 + 7258TIP3 H228084 -0.161 2.293 -1.443 + 7259TIP3 OH228085 0.533 2.592 -2.193 + 7259TIP3 H128086 0.508 2.667 -2.137 + 7259TIP3 H228087 0.485 2.519 -2.151 + 7260TIP3 OH228088 -0.458 2.188 -0.928 + 7260TIP3 H128089 -0.459 2.113 -0.866 + 7260TIP3 H228090 -0.516 2.157 -0.999 + 7261TIP3 OH228091 0.250 2.147 -0.754 + 7261TIP3 H128092 0.224 2.133 -0.846 + 7261TIP3 H228093 0.346 2.143 -0.759 + 7262TIP3 OH228094 0.683 2.711 -0.997 + 7262TIP3 H128095 0.586 2.717 -1.002 + 7262TIP3 H228096 0.699 2.733 -0.904 + 7263TIP3 OH228097 1.238 1.911 -2.119 + 7263TIP3 H128098 1.180 1.895 -2.196 + 7263TIP3 H228099 1.250 2.007 -2.130 + 7264TIP3 OH228100 1.281 2.517 -0.839 + 7264TIP3 H128101 1.187 2.537 -0.858 + 7264TIP3 H228102 1.315 2.499 -0.928 + 7265TIP3 OH228103 1.057 2.772 -2.108 + 7265TIP3 H128104 1.031 2.695 -2.055 + 7265TIP3 H228105 1.111 2.732 -2.178 + 7266TIP3 OH228106 0.780 2.305 -1.367 + 7266TIP3 H128107 0.688 2.291 -1.397 + 7266TIP3 H228108 0.825 2.234 -1.418 + 7267TIP3 OH228109 -0.356 2.194 -2.305 + 7267TIP3 H128110 -0.297 2.262 -2.266 + 7267TIP3 H228111 -0.443 2.225 -2.274 + 7268TIP3 OH228112 0.199 2.527 -1.754 + 7268TIP3 H128113 0.174 2.589 -1.822 + 7268TIP3 H228114 0.141 2.450 -1.768 + 7269TIP3 OH228115 0.241 2.907 -1.175 + 7269TIP3 H128116 0.295 2.983 -1.204 + 7269TIP3 H228117 0.305 2.856 -1.123 + 7270TIP3 OH228118 0.585 2.486 -1.215 + 7270TIP3 H128119 0.557 2.455 -1.127 + 7270TIP3 H228120 0.657 2.424 -1.236 + 7271TIP3 OH228121 0.812 2.606 -2.310 + 7271TIP3 H128122 0.847 2.559 -2.231 + 7271TIP3 H228123 0.717 2.598 -2.290 + 7272TIP3 OH228124 0.879 2.942 -0.972 + 7272TIP3 H128125 0.805 2.895 -1.014 + 7272TIP3 H228126 0.890 3.020 -1.029 + 7273TIP3 OH228127 1.276 3.042 -2.266 + 7273TIP3 H128128 1.347 3.105 -2.288 + 7273TIP3 H228129 1.200 3.102 -2.269 + 7274TIP3 OH228130 0.888 2.462 -2.068 + 7274TIP3 H128131 0.850 2.386 -2.021 + 7274TIP3 H228132 0.983 2.454 -2.049 + 7275TIP3 OH228133 -0.351 2.850 -1.167 + 7275TIP3 H128134 -0.330 2.760 -1.139 + 7275TIP3 H228135 -0.343 2.897 -1.083 + 7276TIP3 OH228136 0.228 2.723 -2.458 + 7276TIP3 H128137 0.252 2.646 -2.513 + 7276TIP3 H228138 0.190 2.679 -2.380 + 7277TIP3 OH228139 0.123 2.662 -2.179 + 7277TIP3 H128140 0.178 2.606 -2.122 + 7277TIP3 H228141 0.138 2.752 -2.144 + 7278TIP3 OH228142 -0.211 2.417 -2.151 + 7278TIP3 H128143 -0.279 2.459 -2.096 + 7278TIP3 H228144 -0.162 2.496 -2.182 + 7279TIP3 OH228145 0.627 1.609 -2.026 + 7279TIP3 H128146 0.638 1.667 -2.103 + 7279TIP3 H228147 0.671 1.660 -1.957 + 7280TIP3 OH228148 0.406 2.847 -2.123 + 7280TIP3 H128149 0.320 2.890 -2.118 + 7280TIP3 H228150 0.440 2.877 -2.209 + 7281TIP3 OH228151 0.391 1.824 -1.925 + 7281TIP3 H128152 0.465 1.885 -1.910 + 7281TIP3 H228153 0.354 1.813 -1.835 + 7282TIP3 OH228154 0.439 1.901 -1.013 + 7282TIP3 H128155 0.405 1.930 -0.928 + 7282TIP3 H228156 0.462 1.809 -0.996 + 7283TIP3 OH228157 0.429 1.512 -1.832 + 7283TIP3 H128158 0.399 1.587 -1.778 + 7283TIP3 H228159 0.498 1.553 -1.888 + 7284TIP3 OH228160 0.121 2.943 -2.106 + 7284TIP3 H128161 0.113 3.012 -2.175 + 7284TIP3 H228162 0.114 2.997 -2.027 + 7285TIP3 OH228163 0.001 1.612 -2.186 + 7285TIP3 H128164 0.002 1.689 -2.126 + 7285TIP3 H228165 0.082 1.566 -2.158 + 7286TIP3 OH228166 1.026 1.716 -0.936 + 7286TIP3 H128167 0.931 1.702 -0.942 + 7286TIP3 H228168 1.053 1.678 -1.021 + 7287TIP3 OH228169 0.869 2.083 -1.512 + 7287TIP3 H128170 0.801 2.042 -1.568 + 7287TIP3 H228171 0.926 2.007 -1.487 + 7288TIP3 OH228172 -0.155 2.693 -2.272 + 7288TIP3 H128173 -0.082 2.747 -2.237 + 7288TIP3 H228174 -0.106 2.643 -2.341 + 7289TIP3 OH228175 -0.342 1.916 -2.368 + 7289TIP3 H128176 -0.332 2.009 -2.341 + 7289TIP3 H228177 -0.432 1.915 -2.404 + 7290TIP3 OH228178 0.982 2.973 -1.385 + 7290TIP3 H128179 0.970 3.056 -1.434 + 7290TIP3 H228180 1.074 2.981 -1.358 + 7291TIP3 OH228181 -0.287 1.385 -1.474 + 7291TIP3 H128182 -0.275 1.389 -1.570 + 7291TIP3 H228183 -0.299 1.291 -1.456 + 7292TIP3 OH228184 -0.319 2.804 -1.843 + 7292TIP3 H128185 -0.405 2.836 -1.812 + 7292TIP3 H228186 -0.313 2.850 -1.929 + 7293TIP3 OH228187 -0.425 3.057 -0.745 + 7293TIP3 H128188 -0.368 3.030 -0.670 + 7293TIP3 H228189 -0.466 2.972 -0.769 + 7294TIP3 OH228190 0.043 2.967 -0.565 + 7294TIP3 H128191 0.111 2.903 -0.540 + 7294TIP3 H228192 0.022 2.938 -0.656 + 7295TIP3 OH228193 0.450 2.888 -2.410 + 7295TIP3 H128194 0.375 2.827 -2.423 + 7295TIP3 H228195 0.522 2.835 -2.448 + 7296TIP3 OH228196 0.688 2.792 -0.704 + 7296TIP3 H128197 0.655 2.708 -0.668 + 7296TIP3 H228198 0.760 2.814 -0.642 + 7297TIP3 OH228199 0.910 2.878 -2.403 + 7297TIP3 H128200 0.925 2.799 -2.349 + 7297TIP3 H228201 0.991 2.881 -2.457 + 7298TIP3 OH228202 -0.469 2.404 -0.629 + 7298TIP3 H128203 -0.428 2.331 -0.676 + 7298TIP3 H228204 -0.523 2.447 -0.698 + 7299TIP3 OH228205 -0.009 2.465 -2.427 + 7299TIP3 H128206 0.009 2.406 -2.352 + 7299TIP3 H228207 0.077 2.462 -2.473 + 7300TIP3 OH228208 0.237 2.430 -0.695 + 7300TIP3 H128209 0.190 2.454 -0.776 + 7300TIP3 H228210 0.235 2.332 -0.696 + 7301TIP3 OH228211 0.522 2.589 -2.470 + 7301TIP3 H128212 0.517 2.589 -2.372 + 7301TIP3 H228213 0.504 2.495 -2.489 + 7302TIP3 OH228214 0.769 2.408 -0.962 + 7302TIP3 H128215 0.848 2.459 -0.986 + 7302TIP3 H228216 0.701 2.477 -0.965 + 7303TIP3 OH228217 0.097 2.275 -2.200 + 7303TIP3 H128218 0.043 2.218 -2.142 + 7303TIP3 H228219 0.134 2.209 -2.262 + 7304TIP3 OH228220 0.206 2.080 -2.365 + 7304TIP3 H128221 0.199 2.064 -2.460 + 7304TIP3 H228222 0.302 2.078 -2.351 + 7305TIP3 OH228223 0.539 2.303 -0.639 + 7305TIP3 H128224 0.635 2.301 -0.651 + 7305TIP3 H228225 0.526 2.237 -0.571 + 7306TIP3 OH228226 1.140 2.325 -2.435 + 7306TIP3 H128227 1.123 2.282 -2.520 + 7306TIP3 H228228 1.129 2.419 -2.459 + 7307TIP3 OH228229 0.265 2.157 -1.054 + 7307TIP3 H128230 0.346 2.150 -1.107 + 7307TIP3 H228231 0.230 2.243 -1.087 + 7308TIP3 OH228232 0.845 2.253 -0.753 + 7308TIP3 H128233 0.809 2.316 -0.819 + 7308TIP3 H228234 0.936 2.243 -0.788 + 7309TIP3 OH228235 0.173 3.190 -2.257 + 7309TIP3 H128236 0.268 3.206 -2.249 + 7309TIP3 H228237 0.153 3.239 -2.338 + 7310TIP3 OH228238 -0.435 2.634 -2.301 + 7310TIP3 H128239 -0.340 2.653 -2.292 + 7310TIP3 H228240 -0.435 2.558 -2.362 + 7311TIP3 OH228241 -0.534 3.155 -1.834 + 7311TIP3 H128242 -0.607 3.123 -1.890 + 7311TIP3 H228243 -0.531 3.086 -1.765 + 7312TIP3 OH228244 -0.501 2.954 -1.635 + 7312TIP3 H128245 -0.539 2.871 -1.602 + 7312TIP3 H228246 -0.474 2.993 -1.551 + 7313TIP3 OH228247 1.256 3.090 -1.335 + 7313TIP3 H128248 1.270 3.082 -1.240 + 7313TIP3 H228249 1.345 3.112 -1.366 + 7314TIP3 OH228250 1.245 3.029 -1.047 + 7314TIP3 H128251 1.194 2.953 -1.081 + 7314TIP3 H228252 1.301 2.983 -0.982 + 7315TIP3 OH228253 1.044 2.572 -0.618 + 7315TIP3 H128254 0.957 2.577 -0.576 + 7315TIP3 H228255 1.090 2.651 -0.585 + 7316TIP3 OH228256 1.183 2.464 -2.045 + 7316TIP3 H128257 1.274 2.494 -2.026 + 7316TIP3 H228258 1.172 2.399 -1.972 + 7317TIP3 OH228259 1.231 2.260 -1.849 + 7317TIP3 H128260 1.163 2.202 -1.809 + 7317TIP3 H228261 1.297 2.268 -1.778 + 7318TIP3 OH228262 1.204 2.509 -1.346 + 7318TIP3 H128263 1.264 2.457 -1.403 + 7318TIP3 H228264 1.217 2.599 -1.380 + 7319TIP3 OH228265 1.076 2.803 -1.126 + 7319TIP3 H128266 1.003 2.838 -1.073 + 7319TIP3 H228267 1.030 2.762 -1.202 + 7320TIP3 OH228268 1.262 2.205 -2.190 + 7320TIP3 H128269 1.205 2.231 -2.265 + 7320TIP3 H228270 1.244 2.276 -2.127 + 7321TIP3 OH228271 1.095 1.951 -2.363 + 7321TIP3 H128272 1.106 2.021 -2.428 + 7321TIP3 H228273 1.061 1.878 -2.417 + 7322TIP3 OH228274 1.040 2.071 -1.767 + 7322TIP3 H128275 0.997 1.992 -1.803 + 7322TIP3 H228276 0.967 2.112 -1.717 + 7323TIP3 OH228277 -0.484 2.293 -1.395 + 7323TIP3 H128278 -0.457 2.294 -1.488 + 7323TIP3 H228279 -0.400 2.268 -1.352 + 7324TIP3 OH228280 1.103 2.264 -0.850 + 7324TIP3 H128281 1.168 2.193 -0.840 + 7324TIP3 H228282 1.159 2.342 -0.861 + 7325TIP3 OH228283 1.283 2.074 -0.747 + 7325TIP3 H128284 1.196 2.030 -0.742 + 7325TIP3 H228285 1.344 2.001 -0.727 + 7326TIP3 OH228286 1.025 1.673 -2.454 + 7326TIP3 H128287 1.090 1.645 -2.386 + 7326TIP3 H228288 0.941 1.653 -2.412 + 7327TIP3 OH228289 0.994 1.821 -1.947 + 7327TIP3 H128290 1.029 1.730 -1.941 + 7327TIP3 H228291 1.070 1.867 -1.988 + 7328TIP3 OH228292 1.032 1.875 -1.409 + 7328TIP3 H128293 1.128 1.891 -1.415 + 7328TIP3 H228294 1.020 1.890 -1.313 + 7329TIP3 OH228295 1.043 1.948 -1.139 + 7329TIP3 H128296 0.963 1.987 -1.097 + 7329TIP3 H228297 1.100 2.027 -1.148 + 7330TIP3 OH228298 1.060 1.539 -1.939 + 7330TIP3 H128299 1.060 1.503 -1.848 + 7330TIP3 H228300 0.981 1.493 -1.975 + 7331TIP3 OH228301 -0.394 1.664 -1.464 + 7331TIP3 H128302 -0.365 1.572 -1.452 + 7331TIP3 H228303 -0.323 1.712 -1.421 + 7332TIP3 OH228304 -0.566 1.935 -1.370 + 7332TIP3 H128305 -0.505 1.914 -1.442 + 7332TIP3 H228306 -0.522 2.012 -1.331 + 7333TIP3 OH228307 1.251 1.592 -2.289 + 7333TIP3 H128308 1.283 1.510 -2.330 + 7333TIP3 H228309 1.334 1.641 -2.272 + 7334TIP3 OH228310 -0.517 1.561 -1.963 + 7334TIP3 H128311 -0.612 1.567 -1.982 + 7334TIP3 H228312 -0.477 1.622 -2.028 + 7335TIP3 OH228313 0.942 3.097 -1.755 + 7335TIP3 H128314 0.987 3.064 -1.834 + 7335TIP3 H228315 1.016 3.124 -1.700 + 7336TIP3 OH228316 -0.309 2.766 -0.684 + 7336TIP3 H128317 -0.383 2.760 -0.746 + 7336TIP3 H228318 -0.354 2.743 -0.599 + 7337TIP3 OH228319 -0.030 2.856 -1.119 + 7337TIP3 H128320 -0.062 2.944 -1.145 + 7337TIP3 H228321 0.066 2.868 -1.137 + 7338TIP3 OH228322 0.419 2.991 -0.812 + 7338TIP3 H128323 0.433 2.972 -0.718 + 7338TIP3 H228324 0.503 3.034 -0.837 + 7339TIP3 OH228325 0.649 3.135 -0.890 + 7339TIP3 H128326 0.717 3.071 -0.911 + 7339TIP3 H228327 0.679 3.166 -0.802 + 7340TIP3 OH228328 1.175 1.424 -0.989 + 7340TIP3 H128329 1.084 1.452 -0.973 + 7340TIP3 H228330 1.171 1.332 -0.960 + 7341TIP3 OH228331 -0.296 3.154 -1.085 + 7341TIP3 H128332 -0.357 3.219 -1.124 + 7341TIP3 H228333 -0.324 3.157 -0.993 + 7342TIP3 OH228334 -0.053 3.128 -1.238 + 7342TIP3 H128335 -0.131 3.150 -1.184 + 7342TIP3 H228336 -0.042 3.208 -1.292 + 7343TIP3 OH228337 0.427 3.135 -1.270 + 7343TIP3 H128338 0.403 3.191 -1.345 + 7343TIP3 H228339 0.440 3.203 -1.200 + 7344TIP3 OH228340 0.664 3.004 -1.178 + 7344TIP3 H128341 0.579 3.039 -1.210 + 7344TIP3 H228342 0.720 3.082 -1.178 + 7345TIP3 OH228343 0.915 3.176 -1.158 + 7345TIP3 H128344 0.913 3.271 -1.181 + 7345TIP3 H228345 0.945 3.138 -1.242 + 7346TIP3 OH228346 -0.312 3.015 -1.395 + 7346TIP3 H128347 -0.337 2.979 -1.307 + 7346TIP3 H228348 -0.221 2.984 -1.398 + 7347TIP3 OH228349 0.492 1.547 -1.528 + 7347TIP3 H128350 0.413 1.498 -1.502 + 7347TIP3 H228351 0.519 1.501 -1.609 + 7348TIP3 OH228352 1.155 1.440 -1.663 + 7348TIP3 H128353 1.226 1.402 -1.717 + 7348TIP3 H228354 1.184 1.532 -1.653 + 7349TIP3 OH228355 -0.267 1.379 -1.773 + 7349TIP3 H128356 -0.358 1.372 -1.809 + 7349TIP3 H228357 -0.242 1.287 -1.764 + 7350TIP3 OH228358 -0.407 1.362 -2.178 + 7350TIP3 H128359 -0.355 1.427 -2.228 + 7350TIP3 H228360 -0.445 1.416 -2.108 + 7351TIP3 OH228361 0.153 1.383 -1.769 + 7351TIP3 H128362 0.243 1.416 -1.783 + 7351TIP3 H228363 0.149 1.372 -1.673 + 7352TIP3 OH228364 0.822 1.401 -2.060 + 7352TIP3 H128365 0.742 1.457 -2.059 + 7352TIP3 H228366 0.790 1.320 -2.015 + 7353TIP3 OH228367 -0.389 2.959 -2.069 + 7353TIP3 H128368 -0.456 2.947 -2.139 + 7353TIP3 H228369 -0.395 3.055 -2.056 + 7354TIP3 OH228370 -0.238 1.545 -2.335 + 7354TIP3 H128371 -0.176 1.491 -2.388 + 7354TIP3 H228372 -0.178 1.581 -2.267 + 7355TIP3 OH228373 0.268 1.572 -2.071 + 7355TIP3 H128374 0.307 1.515 -2.004 + 7355TIP3 H228375 0.291 1.659 -2.037 + 7356TIP3 OH228376 0.479 3.145 -2.251 + 7356TIP3 H128377 0.576 3.142 -2.257 + 7356TIP3 H228378 0.455 3.079 -2.318 + 7357TIP3 OH228379 1.124 3.046 -1.993 + 7357TIP3 H128380 1.104 2.959 -2.034 + 7357TIP3 H228381 1.128 3.102 -2.072 + 7358TIP3 OH228382 -0.248 3.053 -2.385 + 7358TIP3 H128383 -0.273 3.083 -2.296 + 7358TIP3 H228384 -0.169 3.000 -2.369 + 7359TIP3 OH228385 1.077 2.924 -0.755 + 7359TIP3 H128386 1.003 2.903 -0.815 + 7359TIP3 H228387 1.059 3.017 -0.735 + 7360TIP3 OH228388 2.510 2.290 -1.756 + 7360TIP3 H128389 2.504 2.383 -1.728 + 7360TIP3 H228390 2.423 2.278 -1.798 + 7361TIP3 OH228391 2.390 2.229 -1.440 + 7361TIP3 H128392 2.382 2.182 -1.355 + 7361TIP3 H228393 2.352 2.164 -1.500 + 7362TIP3 OH228394 1.630 2.194 -1.268 + 7362TIP3 H128395 1.626 2.118 -1.207 + 7362TIP3 H228396 1.700 2.247 -1.226 + 7363TIP3 OH228397 2.747 2.507 -1.603 + 7363TIP3 H128398 2.712 2.439 -1.543 + 7363TIP3 H228399 2.784 2.569 -1.538 + 7364TIP3 OH228400 1.695 2.658 -1.419 + 7364TIP3 H128401 1.671 2.566 -1.443 + 7364TIP3 H228402 1.787 2.644 -1.393 + 7365TIP3 OH228403 1.393 1.994 -1.880 + 7365TIP3 H128404 1.354 2.081 -1.866 + 7365TIP3 H228405 1.319 1.946 -1.920 + 7366TIP3 OH228406 1.476 2.242 -1.692 + 7366TIP3 H128407 1.490 2.159 -1.643 + 7366TIP3 H228408 1.560 2.250 -1.739 + 7367TIP3 OH228409 2.455 3.044 -1.546 + 7367TIP3 H128410 2.514 2.973 -1.577 + 7367TIP3 H228411 2.429 3.011 -1.459 + 7368TIP3 OH228412 2.232 2.484 -1.379 + 7368TIP3 H128413 2.265 2.413 -1.436 + 7368TIP3 H228414 2.312 2.500 -1.326 + 7369TIP3 OH228415 3.102 1.635 -1.319 + 7369TIP3 H128416 3.114 1.697 -1.245 + 7369TIP3 H228417 3.164 1.673 -1.385 + 7370TIP3 OH228418 2.566 1.921 -1.329 + 7370TIP3 H128419 2.579 1.825 -1.322 + 7370TIP3 H228420 2.549 1.931 -1.424 + 7371TIP3 OH228421 1.860 1.723 -1.622 + 7371TIP3 H128422 1.871 1.809 -1.665 + 7371TIP3 H228423 1.820 1.671 -1.694 + 7372TIP3 OH228424 2.643 1.735 -1.792 + 7372TIP3 H128425 2.702 1.696 -1.723 + 7372TIP3 H228426 2.705 1.787 -1.844 + 7373TIP3 OH228427 1.528 1.992 -1.568 + 7373TIP3 H128428 1.590 1.945 -1.509 + 7373TIP3 H228429 1.537 1.942 -1.650 + 7374TIP3 OH228430 2.072 2.129 -1.622 + 7374TIP3 H128431 2.134 2.069 -1.575 + 7374TIP3 H228432 2.017 2.064 -1.670 + 7375TIP3 OH228433 3.166 1.771 -1.065 + 7375TIP3 H128434 3.125 1.852 -1.100 + 7375TIP3 H228435 3.134 1.775 -0.974 + 7376TIP3 OH228436 1.764 1.596 -1.203 + 7376TIP3 H128437 1.737 1.670 -1.260 + 7376TIP3 H228438 1.705 1.609 -1.127 + 7377TIP3 OH228439 2.494 2.579 -1.869 + 7377TIP3 H128440 2.450 2.553 -1.950 + 7377TIP3 H228441 2.444 2.659 -1.844 + 7378TIP3 OH228442 2.032 2.387 -1.190 + 7378TIP3 H128443 1.957 2.445 -1.165 + 7378TIP3 H228444 2.093 2.449 -1.233 + 7379TIP3 OH228445 2.826 1.662 -1.586 + 7379TIP3 H128446 2.784 1.602 -1.523 + 7379TIP3 H228447 2.875 1.722 -1.527 + 7380TIP3 OH228448 1.696 1.805 -1.410 + 7380TIP3 H128449 1.760 1.862 -1.361 + 7380TIP3 H228450 1.756 1.766 -1.477 + 7381TIP3 OH228451 1.829 2.574 -1.120 + 7381TIP3 H128452 1.825 2.668 -1.147 + 7381TIP3 H228453 1.744 2.565 -1.074 + 7382TIP3 OH228454 1.462 2.545 -2.031 + 7382TIP3 H128455 1.439 2.595 -2.111 + 7382TIP3 H228456 1.477 2.614 -1.963 + 7383TIP3 OH228457 2.806 2.675 -1.357 + 7383TIP3 H128458 2.714 2.706 -1.354 + 7383TIP3 H228459 2.852 2.753 -1.392 + 7384TIP3 OH228460 2.841 1.576 -1.195 + 7384TIP3 H128461 2.763 1.612 -1.240 + 7384TIP3 H228462 2.911 1.587 -1.263 + 7385TIP3 OH228463 2.149 1.352 -1.495 + 7385TIP3 H128464 2.128 1.256 -1.495 + 7385TIP3 H228465 2.065 1.389 -1.460 + 7386TIP3 OH228466 2.635 2.884 -1.700 + 7386TIP3 H128467 2.686 2.804 -1.723 + 7386TIP3 H228468 2.704 2.953 -1.704 + 7387TIP3 OH228469 2.788 2.663 -1.842 + 7387TIP3 H128470 2.717 2.624 -1.897 + 7387TIP3 H228471 2.781 2.609 -1.761 + 7388TIP3 OH228472 2.912 2.540 -0.998 + 7388TIP3 H128473 2.935 2.472 -1.065 + 7388TIP3 H228474 2.949 2.620 -1.039 + 7389TIP3 OH228475 2.362 2.240 -2.017 + 7389TIP3 H128476 2.294 2.302 -2.050 + 7389TIP3 H228477 2.431 2.249 -2.084 + 7390TIP3 OH228478 2.393 2.058 -2.305 + 7390TIP3 H128479 2.465 2.093 -2.250 + 7390TIP3 H228480 2.443 2.007 -2.371 + 7391TIP3 OH228481 2.739 2.203 -1.879 + 7391TIP3 H128482 2.664 2.261 -1.851 + 7391TIP3 H228483 2.746 2.155 -1.795 + 7392TIP3 OH228484 2.695 2.090 -1.022 + 7392TIP3 H128485 2.699 2.167 -0.964 + 7392TIP3 H228486 2.636 2.125 -1.090 + 7393TIP3 OH228487 1.875 2.320 -1.733 + 7393TIP3 H128488 1.841 2.275 -1.812 + 7393TIP3 H228489 1.935 2.254 -1.696 + 7394TIP3 OH228490 2.011 2.662 -1.458 + 7394TIP3 H128491 1.998 2.618 -1.543 + 7394TIP3 H228492 2.089 2.615 -1.423 + 7395TIP3 OH228493 1.929 2.208 -1.388 + 7395TIP3 H128494 1.993 2.207 -1.461 + 7395TIP3 H228495 1.970 2.267 -1.322 + 7396TIP3 OH228496 2.519 2.755 -1.325 + 7396TIP3 H128497 2.529 2.819 -1.253 + 7396TIP3 H228498 2.506 2.671 -1.277 + 7397TIP3 OH228499 2.016 2.633 -0.898 + 7397TIP3 H128500 1.963 2.699 -0.849 + 7397TIP3 H228501 1.952 2.605 -0.966 + 7398TIP3 OH228502 2.618 2.171 -2.154 + 7398TIP3 H128503 2.667 2.203 -2.076 + 7398TIP3 H228504 2.660 2.225 -2.225 + 7399TIP3 OH228505 1.712 2.277 -0.991 + 7399TIP3 H128506 1.717 2.324 -0.906 + 7399TIP3 H228507 1.617 2.252 -0.993 + 7400TIP3 OH228508 2.354 2.846 -1.806 + 7400TIP3 H128509 2.402 2.875 -1.727 + 7400TIP3 H228510 2.304 2.926 -1.831 + 7401TIP3 OH228511 1.824 2.853 -0.815 + 7401TIP3 H128512 1.814 2.853 -0.911 + 7401TIP3 H228513 1.737 2.824 -0.783 + 7402TIP3 OH228514 2.952 1.363 -2.211 + 7402TIP3 H128515 2.865 1.373 -2.167 + 7402TIP3 H228516 2.987 1.453 -2.206 + 7403TIP3 OH228517 1.764 2.194 -1.977 + 7403TIP3 H128518 1.743 2.270 -2.033 + 7403TIP3 H228519 1.698 2.129 -2.004 + 7404TIP3 OH228520 3.091 2.775 -2.360 + 7404TIP3 H128521 3.106 2.868 -2.336 + 7404TIP3 H228522 3.177 2.734 -2.339 + 7405TIP3 OH228523 1.369 2.461 -1.104 + 7405TIP3 H128524 1.326 2.459 -1.191 + 7405TIP3 H228525 1.387 2.367 -1.087 + 7406TIP3 OH228526 1.377 2.758 -1.413 + 7406TIP3 H128527 1.467 2.723 -1.407 + 7406TIP3 H228528 1.373 2.812 -1.333 + 7407TIP3 OH228529 3.213 2.801 -0.829 + 7407TIP3 H128530 3.198 2.705 -0.847 + 7407TIP3 H228531 3.121 2.828 -0.807 + 7408TIP3 OH228532 2.279 2.737 -0.954 + 7408TIP3 H128533 2.286 2.820 -0.902 + 7408TIP3 H228534 2.188 2.708 -0.931 + 7409TIP3 OH228535 2.306 3.119 -1.957 + 7409TIP3 H128536 2.309 3.129 -2.054 + 7409TIP3 H228537 2.313 3.211 -1.926 + 7410TIP3 OH228538 1.687 3.034 -1.793 + 7410TIP3 H128539 1.704 2.988 -1.708 + 7410TIP3 H228540 1.607 2.989 -1.823 + 7411TIP3 OH228541 2.638 3.061 -2.240 + 7411TIP3 H128542 2.695 2.995 -2.283 + 7411TIP3 H228543 2.632 3.024 -2.149 + 7412TIP3 OH228544 2.577 3.003 -1.960 + 7412TIP3 H128545 2.481 3.016 -1.944 + 7412TIP3 H228546 2.596 2.935 -1.893 + 7413TIP3 OH228547 2.875 1.942 -0.773 + 7413TIP3 H128548 2.877 2.001 -0.849 + 7413TIP3 H228549 2.904 1.858 -0.814 + 7414TIP3 OH228550 1.588 2.618 -0.978 + 7414TIP3 H128551 1.618 2.569 -0.899 + 7414TIP3 H228552 1.517 2.560 -1.013 + 7415TIP3 OH228553 1.901 1.460 -1.414 + 7415TIP3 H128554 1.809 1.441 -1.439 + 7415TIP3 H228555 1.887 1.525 -1.342 + 7416TIP3 OH228556 2.337 1.401 -1.026 + 7416TIP3 H128557 2.381 1.349 -0.957 + 7416TIP3 H228558 2.243 1.389 -1.008 + 7417TIP3 OH228559 2.652 1.796 -0.989 + 7417TIP3 H128560 2.608 1.790 -0.902 + 7417TIP3 H228561 2.662 1.893 -1.000 + 7418TIP3 OH228562 2.761 2.286 -2.359 + 7418TIP3 H128563 2.740 2.276 -2.454 + 7418TIP3 H228564 2.852 2.320 -2.364 + 7419TIP3 OH228565 2.332 1.671 -2.312 + 7419TIP3 H128566 2.280 1.660 -2.231 + 7419TIP3 H228567 2.289 1.606 -2.369 + 7420TIP3 OH228568 1.885 1.944 -1.269 + 7420TIP3 H128569 1.844 1.954 -1.182 + 7420TIP3 H228570 1.895 2.037 -1.299 + 7421TIP3 OH228571 1.889 1.953 -1.776 + 7421TIP3 H128572 1.793 1.942 -1.790 + 7421TIP3 H228573 1.923 1.929 -1.864 + 7422TIP3 OH228574 2.451 2.005 -1.900 + 7422TIP3 H128575 2.407 2.088 -1.926 + 7422TIP3 H228576 2.519 2.000 -1.967 + 7423TIP3 OH228577 2.377 2.034 -0.768 + 7423TIP3 H128578 2.321 1.965 -0.728 + 7423TIP3 H228579 2.464 2.015 -0.727 + 7424TIP3 OH228580 2.530 1.947 -1.617 + 7424TIP3 H128581 2.498 2.002 -1.691 + 7424TIP3 H228582 2.550 1.864 -1.664 + 7425TIP3 OH228583 1.621 1.964 -1.078 + 7425TIP3 H128584 1.666 1.985 -0.995 + 7425TIP3 H228585 1.597 1.870 -1.064 + 7426TIP3 OH228586 1.972 1.717 -2.423 + 7426TIP3 H128587 1.936 1.683 -2.338 + 7426TIP3 H228588 1.891 1.731 -2.474 + 7427TIP3 OH228589 1.308 1.693 -1.711 + 7427TIP3 H128590 1.370 1.694 -1.636 + 7427TIP3 H228591 1.361 1.656 -1.783 + 7428TIP3 OH228592 1.472 1.746 -2.143 + 7428TIP3 H128593 1.527 1.796 -2.207 + 7428TIP3 H228594 1.402 1.812 -2.124 + 7429TIP3 OH228595 2.444 2.115 -1.175 + 7429TIP3 H128596 2.490 2.041 -1.223 + 7429TIP3 H228597 2.416 2.071 -1.094 + 7430TIP3 OH228598 2.164 1.707 -1.672 + 7430TIP3 H128599 2.069 1.706 -1.647 + 7430TIP3 H228600 2.205 1.690 -1.585 + 7431TIP3 OH228601 1.622 1.831 -1.804 + 7431TIP3 H128602 1.540 1.859 -1.849 + 7431TIP3 H228603 1.649 1.752 -1.854 + 7432TIP3 OH228604 1.987 1.862 -2.037 + 7432TIP3 H128605 2.083 1.875 -2.030 + 7432TIP3 H228606 1.960 1.924 -2.107 + 7433TIP3 OH228607 2.604 1.623 -1.370 + 7433TIP3 H128608 2.542 1.622 -1.293 + 7433TIP3 H228609 2.544 1.590 -1.439 + 7434TIP3 OH228610 1.832 1.988 -2.257 + 7434TIP3 H128611 1.772 1.961 -2.329 + 7434TIP3 H228612 1.913 2.008 -2.308 + 7435TIP3 OH228613 2.905 3.202 -0.703 + 7435TIP3 H128614 2.929 3.245 -0.787 + 7435TIP3 H228615 2.977 3.231 -0.645 + 7436TIP3 OH228616 1.698 2.468 -0.761 + 7436TIP3 H128617 1.764 2.473 -0.689 + 7436TIP3 H228618 1.617 2.457 -0.707 + 7437TIP3 OH228619 2.264 1.958 -1.476 + 7437TIP3 H128620 2.336 1.911 -1.518 + 7437TIP3 H228621 2.242 1.898 -1.401 + 7438TIP3 OH228622 1.793 1.603 -1.876 + 7438TIP3 H128623 1.741 1.525 -1.852 + 7438TIP3 H228624 1.876 1.564 -1.907 + 7439TIP3 OH228625 2.168 1.801 -1.267 + 7439TIP3 H128626 2.074 1.824 -1.257 + 7439TIP3 H228627 2.200 1.809 -1.176 + 7440TIP3 OH228628 2.180 2.446 -2.074 + 7440TIP3 H128629 2.103 2.396 -2.110 + 7440TIP3 H228630 2.158 2.452 -1.978 + 7441TIP3 OH228631 2.929 2.359 -1.208 + 7441TIP3 H128632 2.988 2.388 -1.278 + 7441TIP3 H228633 2.844 2.349 -1.254 + 7442TIP3 OH228634 2.593 1.737 -2.271 + 7442TIP3 H128635 2.498 1.727 -2.295 + 7442TIP3 H228636 2.598 1.830 -2.249 + 7443TIP3 OH228637 2.343 2.448 -0.944 + 7443TIP3 H128638 2.312 2.415 -0.859 + 7443TIP3 H228639 2.313 2.541 -0.943 + 7444TIP3 OH228640 2.762 1.925 -2.034 + 7444TIP3 H128641 2.803 1.866 -2.100 + 7444TIP3 H228642 2.706 1.982 -2.091 + 7445TIP3 OH228643 1.692 2.388 -1.493 + 7445TIP3 H128644 1.750 2.375 -1.570 + 7445TIP3 H228645 1.702 2.303 -1.446 + 7446TIP3 OH228646 2.418 2.583 -2.183 + 7446TIP3 H128647 2.394 2.669 -2.144 + 7446TIP3 H228648 2.342 2.529 -2.155 + 7447TIP3 OH228649 1.423 2.216 -0.965 + 7447TIP3 H128650 1.432 2.170 -0.879 + 7447TIP3 H228651 1.363 2.155 -1.013 + 7448TIP3 OH228652 2.117 2.171 -0.772 + 7448TIP3 H128653 2.083 2.140 -0.858 + 7448TIP3 H228654 2.210 2.141 -0.780 + 7449TIP3 OH228655 2.567 2.708 -0.998 + 7449TIP3 H128656 2.471 2.717 -1.001 + 7449TIP3 H228657 2.588 2.732 -0.907 + 7450TIP3 OH228658 3.098 1.927 -2.094 + 7450TIP3 H128659 3.063 1.882 -2.173 + 7450TIP3 H228660 3.123 2.012 -2.135 + 7451TIP3 OH228661 3.162 2.522 -0.835 + 7451TIP3 H128662 3.066 2.513 -0.848 + 7451TIP3 H228663 3.194 2.470 -0.911 + 7452TIP3 OH228664 2.930 2.767 -2.117 + 7452TIP3 H128665 2.921 2.699 -2.049 + 7452TIP3 H228666 3.000 2.733 -2.175 + 7453TIP3 OH228667 2.674 2.301 -1.371 + 7453TIP3 H128668 2.581 2.282 -1.391 + 7453TIP3 H228669 2.720 2.227 -1.412 + 7454TIP3 OH228670 1.931 2.713 -1.771 + 7454TIP3 H128671 1.973 2.801 -1.779 + 7454TIP3 H228672 1.839 2.734 -1.789 + 7455TIP3 OH228673 1.529 2.195 -2.307 + 7455TIP3 H128674 1.586 2.263 -2.266 + 7455TIP3 H228675 1.442 2.217 -2.270 + 7456TIP3 OH228676 2.114 2.484 -1.806 + 7456TIP3 H128677 2.083 2.575 -1.790 + 7456TIP3 H228678 2.044 2.432 -1.763 + 7457TIP3 OH228679 2.130 2.910 -1.169 + 7457TIP3 H128680 2.187 2.984 -1.197 + 7457TIP3 H228681 2.191 2.859 -1.114 + 7458TIP3 OH228682 1.975 3.005 -1.846 + 7458TIP3 H128683 1.879 3.020 -1.836 + 7458TIP3 H228684 2.011 3.092 -1.821 + 7459TIP3 OH228685 2.473 2.480 -1.217 + 7459TIP3 H128686 2.445 2.457 -1.127 + 7459TIP3 H228687 2.551 2.424 -1.230 + 7460TIP3 OH228688 2.688 2.612 -2.321 + 7460TIP3 H128689 2.731 2.571 -2.244 + 7460TIP3 H228690 2.595 2.600 -2.295 + 7461TIP3 OH228691 2.760 2.945 -0.967 + 7461TIP3 H128692 2.688 2.898 -1.015 + 7461TIP3 H228693 2.778 3.019 -1.027 + 7462TIP3 OH228694 3.162 3.041 -2.267 + 7462TIP3 H128695 3.232 3.105 -2.287 + 7462TIP3 H228696 3.085 3.101 -2.267 + 7463TIP3 OH228697 1.556 1.684 -1.025 + 7463TIP3 H128698 1.462 1.713 -1.030 + 7463TIP3 H228699 1.547 1.598 -0.980 + 7464TIP3 OH228700 2.784 2.462 -2.083 + 7464TIP3 H128701 2.763 2.403 -2.010 + 7464TIP3 H228702 2.879 2.477 -2.072 + 7465TIP3 OH228703 1.527 2.854 -1.165 + 7465TIP3 H128704 1.555 2.763 -1.149 + 7465TIP3 H228705 1.548 2.895 -1.080 + 7466TIP3 OH228706 2.112 2.720 -2.463 + 7466TIP3 H128707 2.141 2.641 -2.512 + 7466TIP3 H228708 2.070 2.681 -2.385 + 7467TIP3 OH228709 1.998 2.672 -2.193 + 7467TIP3 H128710 2.046 2.619 -2.128 + 7467TIP3 H228711 2.011 2.763 -2.159 + 7468TIP3 OH228712 1.680 2.416 -2.153 + 7468TIP3 H128713 1.607 2.453 -2.100 + 7468TIP3 H228714 1.727 2.498 -2.179 + 7469TIP3 OH228715 2.449 1.650 -1.147 + 7469TIP3 H128716 2.509 1.681 -1.077 + 7469TIP3 H228717 2.397 1.581 -1.102 + 7470TIP3 OH228718 2.511 1.604 -2.023 + 7470TIP3 H128719 2.532 1.653 -2.104 + 7470TIP3 H228720 2.556 1.654 -1.954 + 7471TIP3 OH228721 2.292 2.834 -2.129 + 7471TIP3 H128722 2.210 2.883 -2.111 + 7471TIP3 H228723 2.327 2.882 -2.205 + 7472TIP3 OH228724 2.254 1.806 -1.929 + 7472TIP3 H128725 2.328 1.868 -1.911 + 7472TIP3 H228726 2.221 1.788 -1.839 + 7473TIP3 OH228727 2.280 1.887 -1.002 + 7473TIP3 H128728 2.300 1.952 -0.932 + 7473TIP3 H228729 2.352 1.824 -0.993 + 7474TIP3 OH228730 2.308 1.506 -1.836 + 7474TIP3 H128731 2.289 1.572 -1.767 + 7474TIP3 H228732 2.381 1.549 -1.884 + 7475TIP3 OH228733 2.011 2.942 -2.129 + 7475TIP3 H128734 2.005 3.024 -2.183 + 7475TIP3 H228735 1.998 2.976 -2.038 + 7476TIP3 OH228736 1.885 1.609 -2.184 + 7476TIP3 H128737 1.882 1.683 -2.121 + 7476TIP3 H228738 1.965 1.562 -2.155 + 7477TIP3 OH228739 2.916 1.702 -0.924 + 7477TIP3 H128740 2.820 1.711 -0.938 + 7477TIP3 H228741 2.941 1.677 -1.015 + 7478TIP3 OH228742 2.791 2.069 -1.596 + 7478TIP3 H128743 2.699 2.043 -1.580 + 7478TIP3 H228744 2.837 2.020 -1.525 + 7479TIP3 OH228745 1.724 2.698 -2.276 + 7479TIP3 H128746 1.798 2.746 -2.236 + 7479TIP3 H228747 1.773 2.646 -2.342 + 7480TIP3 OH228748 1.539 1.916 -2.365 + 7480TIP3 H128749 1.550 2.009 -2.341 + 7480TIP3 H228750 1.450 1.915 -2.402 + 7481TIP3 OH228751 2.862 2.971 -1.381 + 7481TIP3 H128752 2.858 3.056 -1.430 + 7481TIP3 H228753 2.956 2.967 -1.360 + 7482TIP3 OH228754 1.615 1.369 -1.469 + 7482TIP3 H128755 1.601 1.386 -1.564 + 7482TIP3 H228756 1.571 1.284 -1.454 + 7483TIP3 OH228757 1.520 2.768 -1.856 + 7483TIP3 H128758 1.441 2.819 -1.834 + 7483TIP3 H228759 1.557 2.820 -1.930 + 7484TIP3 OH228760 1.459 3.059 -0.743 + 7484TIP3 H128761 1.518 3.030 -0.671 + 7484TIP3 H228762 1.422 2.973 -0.772 + 7485TIP3 OH228763 1.928 2.962 -0.561 + 7485TIP3 H128764 2.000 2.899 -0.545 + 7485TIP3 H228765 1.905 2.940 -0.653 + 7486TIP3 OH228766 2.334 2.891 -2.413 + 7486TIP3 H128767 2.258 2.829 -2.422 + 7486TIP3 H228768 2.405 2.836 -2.450 + 7487TIP3 OH228769 2.572 2.796 -0.703 + 7487TIP3 H128770 2.539 2.711 -0.669 + 7487TIP3 H228771 2.646 2.815 -0.643 + 7488TIP3 OH228772 2.796 2.880 -2.403 + 7488TIP3 H128773 2.814 2.802 -2.348 + 7488TIP3 H228774 2.877 2.884 -2.458 + 7489TIP3 OH228775 1.456 2.426 -0.633 + 7489TIP3 H128776 1.464 2.332 -0.656 + 7489TIP3 H228777 1.379 2.452 -0.687 + 7490TIP3 OH228778 1.877 2.464 -2.430 + 7490TIP3 H128779 1.892 2.405 -2.354 + 7490TIP3 H228780 1.963 2.459 -2.474 + 7491TIP3 OH228781 2.118 2.441 -0.696 + 7491TIP3 H128782 2.089 2.474 -0.782 + 7491TIP3 H228783 2.125 2.345 -0.712 + 7492TIP3 OH228784 2.401 2.597 -2.468 + 7492TIP3 H128785 2.396 2.593 -2.371 + 7492TIP3 H228786 2.396 2.501 -2.489 + 7493TIP3 OH228787 2.659 2.402 -0.958 + 7493TIP3 H128788 2.735 2.458 -0.982 + 7493TIP3 H228789 2.586 2.467 -0.960 + 7494TIP3 OH228790 1.570 2.138 -0.715 + 7494TIP3 H128791 1.628 2.061 -0.707 + 7494TIP3 H228792 1.548 2.153 -0.622 + 7495TIP3 OH228793 1.986 2.272 -2.195 + 7495TIP3 H128794 1.924 2.222 -2.140 + 7495TIP3 H228795 2.014 2.203 -2.258 + 7496TIP3 OH228796 1.900 2.034 -0.974 + 7496TIP3 H128797 1.861 2.116 -0.940 + 7496TIP3 H228798 1.973 2.067 -1.029 + 7497TIP3 OH228799 2.080 2.073 -2.370 + 7497TIP3 H128800 2.075 2.081 -2.467 + 7497TIP3 H228801 2.176 2.071 -2.355 + 7498TIP3 OH228802 2.442 2.322 -0.611 + 7498TIP3 H128803 2.532 2.306 -0.642 + 7498TIP3 H228804 2.416 2.234 -0.579 + 7499TIP3 OH228805 3.031 2.324 -2.436 + 7499TIP3 H128806 3.021 2.283 -2.523 + 7499TIP3 H228807 3.021 2.419 -2.460 + 7500TIP3 OH228808 2.155 2.168 -1.068 + 7500TIP3 H128809 2.237 2.159 -1.120 + 7500TIP3 H228810 2.122 2.254 -1.100 + 7501TIP3 OH228811 2.617 1.967 -0.591 + 7501TIP3 H128812 2.635 1.872 -0.584 + 7501TIP3 H228813 2.707 2.000 -0.610 + 7502TIP3 OH228814 2.747 2.247 -0.753 + 7502TIP3 H128815 2.707 2.308 -0.818 + 7502TIP3 H228816 2.832 2.230 -0.794 + 7503TIP3 OH228817 1.812 1.925 -0.681 + 7503TIP3 H128818 1.740 1.859 -0.678 + 7503TIP3 H228819 1.868 1.895 -0.754 + 7504TIP3 OH228820 2.178 1.841 -0.682 + 7504TIP3 H128821 2.167 1.788 -0.601 + 7504TIP3 H228822 2.117 1.801 -0.745 + 7505TIP3 OH228823 2.445 1.720 -0.789 + 7505TIP3 H128824 2.357 1.715 -0.750 + 7505TIP3 H228825 2.494 1.652 -0.739 + 7506TIP3 OH228826 2.623 1.543 -0.646 + 7506TIP3 H128827 2.627 1.449 -0.621 + 7506TIP3 H228828 2.616 1.588 -0.560 + 7507TIP3 OH228829 2.057 3.197 -2.260 + 7507TIP3 H128830 2.153 3.208 -2.249 + 7507TIP3 H228831 2.044 3.242 -2.344 + 7508TIP3 OH228832 1.448 2.638 -2.309 + 7508TIP3 H128833 1.543 2.655 -2.293 + 7508TIP3 H228834 1.449 2.557 -2.364 + 7509TIP3 OH228835 1.344 3.158 -1.827 + 7509TIP3 H128836 1.276 3.118 -1.885 + 7509TIP3 H228837 1.358 3.086 -1.762 + 7510TIP3 OH228838 1.385 2.959 -1.634 + 7510TIP3 H128839 1.357 2.871 -1.603 + 7510TIP3 H228840 1.423 2.992 -1.551 + 7511TIP3 OH228841 3.143 3.108 -1.333 + 7511TIP3 H128842 3.156 3.069 -1.246 + 7511TIP3 H228843 3.233 3.106 -1.368 + 7512TIP3 OH228844 3.129 3.027 -1.040 + 7512TIP3 H128845 3.081 2.952 -1.080 + 7512TIP3 H228846 3.190 2.978 -0.983 + 7513TIP3 OH228847 2.927 2.570 -0.615 + 7513TIP3 H128848 2.840 2.580 -0.573 + 7513TIP3 H228849 2.975 2.650 -0.588 + 7514TIP3 OH228850 3.075 2.452 -2.041 + 7514TIP3 H128851 3.162 2.492 -2.020 + 7514TIP3 H228852 3.058 2.400 -1.961 + 7515TIP3 OH228853 3.076 2.191 -1.811 + 7515TIP3 H128854 3.032 2.199 -1.725 + 7515TIP3 H228855 3.159 2.239 -1.788 + 7516TIP3 OH228856 2.962 2.808 -1.120 + 7516TIP3 H128857 2.882 2.832 -1.071 + 7516TIP3 H228858 2.927 2.762 -1.198 + 7517TIP3 OH228859 3.133 2.200 -2.181 + 7517TIP3 H128860 3.090 2.226 -2.264 + 7517TIP3 H228861 3.130 2.285 -2.133 + 7518TIP3 OH228862 2.968 1.959 -2.361 + 7518TIP3 H128863 2.994 2.018 -2.432 + 7518TIP3 H228864 2.947 1.877 -2.409 + 7519TIP3 OH228865 1.395 2.294 -1.394 + 7519TIP3 H128866 1.420 2.298 -1.488 + 7519TIP3 H228867 1.481 2.271 -1.353 + 7520TIP3 OH228868 2.912 1.696 -2.436 + 7520TIP3 H128869 2.975 1.642 -2.385 + 7520TIP3 H228870 2.837 1.636 -2.451 + 7521TIP3 OH228871 2.924 1.885 -1.413 + 7521TIP3 H128872 3.021 1.900 -1.407 + 7521TIP3 H228873 2.902 1.894 -1.319 + 7522TIP3 OH228874 2.940 1.969 -1.137 + 7522TIP3 H128875 2.857 2.004 -1.099 + 7522TIP3 H228876 2.999 2.045 -1.123 + 7523TIP3 OH228877 3.201 1.367 -0.589 + 7523TIP3 H128878 3.212 1.295 -0.652 + 7523TIP3 H228879 3.190 1.444 -0.648 + 7524TIP3 OH228880 2.938 1.594 -1.950 + 7524TIP3 H128881 2.953 1.561 -1.859 + 7524TIP3 H228882 2.865 1.536 -1.979 + 7525TIP3 OH228883 1.470 1.648 -1.478 + 7525TIP3 H128884 1.510 1.564 -1.452 + 7525TIP3 H228885 1.535 1.711 -1.440 + 7526TIP3 OH228886 1.320 1.925 -1.370 + 7526TIP3 H128887 1.378 1.928 -1.447 + 7526TIP3 H228888 1.353 2.000 -1.318 + 7527TIP3 OH228889 3.128 1.565 -0.762 + 7527TIP3 H128890 3.043 1.612 -0.761 + 7527TIP3 H228891 3.120 1.517 -0.846 + 7528TIP3 OH228892 3.142 1.594 -2.287 + 7528TIP3 H128893 3.170 1.510 -2.326 + 7528TIP3 H228894 3.227 1.640 -2.276 + 7529TIP3 OH228895 1.369 1.544 -1.973 + 7529TIP3 H128896 1.273 1.561 -1.977 + 7529TIP3 H228897 1.407 1.616 -2.027 + 7530TIP3 OH228898 2.828 3.095 -1.755 + 7530TIP3 H128899 2.878 3.064 -1.833 + 7530TIP3 H228900 2.899 3.123 -1.696 + 7531TIP3 OH228901 1.368 1.428 -1.180 + 7531TIP3 H128902 1.309 1.430 -1.102 + 7531TIP3 H228903 1.324 1.493 -1.236 + 7532TIP3 OH228904 1.570 2.769 -0.680 + 7532TIP3 H128905 1.500 2.756 -0.746 + 7532TIP3 H228906 1.523 2.753 -0.597 + 7533TIP3 OH228907 1.854 2.859 -1.114 + 7533TIP3 H128908 1.824 2.944 -1.149 + 7533TIP3 H228909 1.950 2.867 -1.131 + 7534TIP3 OH228910 2.304 2.991 -0.812 + 7534TIP3 H128911 2.321 2.972 -0.719 + 7534TIP3 H228912 2.387 3.034 -0.839 + 7535TIP3 OH228913 2.533 3.135 -0.889 + 7535TIP3 H128914 2.603 3.073 -0.914 + 7535TIP3 H228915 2.564 3.165 -0.802 + 7536TIP3 OH228916 3.029 1.398 -0.973 + 7536TIP3 H128917 2.942 1.423 -1.009 + 7536TIP3 H228918 3.034 1.306 -1.005 + 7537TIP3 OH228919 1.592 3.155 -1.081 + 7537TIP3 H128920 1.531 3.218 -1.124 + 7537TIP3 H228921 1.558 3.157 -0.991 + 7538TIP3 OH228922 1.840 3.131 -1.226 + 7538TIP3 H128923 1.755 3.150 -1.181 + 7538TIP3 H228924 1.844 3.202 -1.293 + 7539TIP3 OH228925 2.315 3.131 -1.270 + 7539TIP3 H128926 2.278 3.177 -1.347 + 7539TIP3 H228927 2.325 3.205 -1.206 + 7540TIP3 OH228928 2.548 3.002 -1.178 + 7540TIP3 H128929 2.465 3.040 -1.211 + 7540TIP3 H228930 2.607 3.079 -1.180 + 7541TIP3 OH228931 2.799 3.176 -1.158 + 7541TIP3 H128932 2.798 3.270 -1.183 + 7541TIP3 H228933 2.832 3.135 -1.240 + 7542TIP3 OH228934 1.549 3.034 -1.387 + 7542TIP3 H128935 1.547 2.985 -1.301 + 7542TIP3 H228936 1.625 2.990 -1.430 + 7543TIP3 OH228937 1.752 2.909 -1.543 + 7543TIP3 H128938 1.736 2.816 -1.516 + 7543TIP3 H228939 1.843 2.924 -1.511 + 7544TIP3 OH228940 2.027 2.955 -1.454 + 7544TIP3 H128941 2.046 2.862 -1.475 + 7544TIP3 H228942 2.035 2.953 -1.357 + 7545TIP3 OH228943 2.362 1.545 -1.525 + 7545TIP3 H128944 2.290 1.481 -1.508 + 7545TIP3 H228945 2.421 1.494 -1.582 + 7546TIP3 OH228946 2.857 1.346 -1.480 + 7546TIP3 H128947 2.931 1.393 -1.523 + 7546TIP3 H228948 2.780 1.376 -1.532 + 7547TIP3 OH228949 3.060 1.459 -1.700 + 7547TIP3 H128950 3.132 1.415 -1.749 + 7547TIP3 H228951 3.097 1.548 -1.684 + 7548TIP3 OH228952 1.605 1.406 -1.761 + 7548TIP3 H128953 1.516 1.396 -1.799 + 7548TIP3 H228954 1.644 1.319 -1.774 + 7549TIP3 OH228955 1.480 1.361 -2.180 + 7549TIP3 H128956 1.530 1.429 -2.229 + 7549TIP3 H228957 1.438 1.414 -2.110 + 7550TIP3 OH228958 2.040 1.388 -1.784 + 7550TIP3 H128959 2.130 1.423 -1.793 + 7550TIP3 H228960 2.032 1.386 -1.687 + 7551TIP3 OH228961 2.600 1.403 -1.640 + 7551TIP3 H128962 2.631 1.382 -1.730 + 7551TIP3 H228963 2.563 1.317 -1.612 + 7552TIP3 OH228964 2.718 1.406 -2.043 + 7552TIP3 H128965 2.633 1.453 -2.053 + 7552TIP3 H228966 2.688 1.316 -2.023 + 7553TIP3 OH228967 1.494 2.961 -2.062 + 7553TIP3 H128968 1.431 2.947 -2.135 + 7553TIP3 H228969 1.494 3.057 -2.057 + 7554TIP3 OH228970 1.647 1.545 -2.336 + 7554TIP3 H128971 1.710 1.492 -2.388 + 7554TIP3 H228972 1.705 1.580 -2.266 + 7555TIP3 OH228973 2.158 1.564 -2.076 + 7555TIP3 H128974 2.193 1.508 -2.004 + 7555TIP3 H228975 2.175 1.651 -2.037 + 7556TIP3 OH228976 2.362 3.144 -2.252 + 7556TIP3 H128977 2.460 3.144 -2.256 + 7556TIP3 H228978 2.342 3.078 -2.320 + 7557TIP3 OH228979 3.012 3.047 -1.994 + 7557TIP3 H128980 2.989 2.963 -2.038 + 7557TIP3 H228981 3.009 3.109 -2.069 + 7558TIP3 OH228982 1.638 3.056 -2.384 + 7558TIP3 H128983 1.616 3.083 -2.293 + 7558TIP3 H228984 1.715 2.998 -2.370 + 7559TIP3 OH228985 2.961 2.922 -0.751 + 7559TIP3 H128986 2.892 2.903 -0.817 + 7559TIP3 H228987 2.947 3.017 -0.737 + 7560TIP3 OH228988 4.187 2.217 -1.456 + 7560TIP3 H128989 4.250 2.226 -1.382 + 7560TIP3 H228990 4.234 2.148 -1.506 + 7561TIP3 OH228991 3.527 2.192 -1.277 + 7561TIP3 H128992 3.517 2.114 -1.219 + 7561TIP3 H228993 3.572 2.253 -1.218 + 7562TIP3 OH228994 3.613 2.665 -1.424 + 7562TIP3 H128995 3.549 2.593 -1.437 + 7562TIP3 H228996 3.692 2.617 -1.397 + 7563TIP3 OH228997 3.280 1.984 -1.883 + 7563TIP3 H128998 3.251 2.075 -1.861 + 7563TIP3 H228999 3.214 1.953 -1.946 + 7564TIP3 OH229000 3.340 2.232 -1.715 + 7564TIP3 H129001 3.351 2.179 -1.634 + 7564TIP3 H229002 3.431 2.263 -1.729 + 7565TIP3 OH229003 3.727 1.704 -1.622 + 7565TIP3 H129004 3.754 1.793 -1.650 + 7565TIP3 H229005 3.689 1.668 -1.704 + 7566TIP3 OH229006 3.413 1.983 -1.563 + 7566TIP3 H129007 3.481 1.946 -1.505 + 7566TIP3 H229008 3.430 1.936 -1.646 + 7567TIP3 OH229009 3.618 1.593 -1.194 + 7567TIP3 H129010 3.597 1.653 -1.267 + 7567TIP3 H229011 3.556 1.623 -1.126 + 7568TIP3 OH229012 3.929 2.395 -1.204 + 7568TIP3 H129013 3.845 2.435 -1.175 + 7568TIP3 H229014 3.987 2.472 -1.199 + 7569TIP3 OH229015 3.611 1.819 -1.394 + 7569TIP3 H129016 3.678 1.878 -1.356 + 7569TIP3 H229017 3.665 1.778 -1.465 + 7570TIP3 OH229018 3.717 2.569 -1.115 + 7570TIP3 H129019 3.712 2.661 -1.149 + 7570TIP3 H229020 3.628 2.564 -1.074 + 7571TIP3 OH229021 3.344 2.543 -2.030 + 7571TIP3 H129022 3.328 2.596 -2.109 + 7571TIP3 H229023 3.364 2.612 -1.962 + 7572TIP3 OH229024 4.042 1.347 -1.493 + 7572TIP3 H129025 4.015 1.253 -1.491 + 7572TIP3 H229026 3.963 1.389 -1.453 + 7573TIP3 OH229027 4.261 2.226 -2.027 + 7573TIP3 H129028 4.198 2.298 -2.046 + 7573TIP3 H229029 4.336 2.251 -2.081 + 7574TIP3 OH229030 4.288 2.075 -2.307 + 7574TIP3 H129031 4.369 2.075 -2.254 + 7574TIP3 H229032 4.296 1.997 -2.362 + 7575TIP3 OH229033 3.801 2.286 -1.729 + 7575TIP3 H129034 3.738 2.274 -1.803 + 7575TIP3 H229035 3.811 2.193 -1.703 + 7576TIP3 OH229036 3.911 2.614 -1.450 + 7576TIP3 H129037 3.904 2.625 -1.546 + 7576TIP3 H229038 4.003 2.632 -1.429 + 7577TIP3 OH229039 3.846 2.220 -1.430 + 7577TIP3 H129040 3.865 2.125 -1.428 + 7577TIP3 H229041 3.830 2.238 -1.335 + 7578TIP3 OH229042 3.903 2.635 -0.900 + 7578TIP3 H129043 3.852 2.701 -0.850 + 7578TIP3 H229044 3.837 2.608 -0.967 + 7579TIP3 OH229045 3.576 2.260 -0.985 + 7579TIP3 H129046 3.584 2.315 -0.905 + 7579TIP3 H229047 3.480 2.260 -0.996 + 7580TIP3 OH229048 4.245 2.842 -1.807 + 7580TIP3 H129049 4.299 2.891 -1.743 + 7580TIP3 H229050 4.199 2.913 -1.854 + 7581TIP3 OH229051 3.711 2.849 -0.816 + 7581TIP3 H129052 3.700 2.853 -0.913 + 7581TIP3 H229053 3.623 2.823 -0.785 + 7582TIP3 OH229054 3.652 2.198 -1.971 + 7582TIP3 H129055 3.629 2.270 -2.031 + 7582TIP3 H229056 3.591 2.128 -1.997 + 7583TIP3 OH229057 3.269 2.433 -1.101 + 7583TIP3 H129058 3.231 2.446 -1.189 + 7583TIP3 H229059 3.231 2.346 -1.076 + 7584TIP3 OH229060 4.171 2.737 -0.950 + 7584TIP3 H129061 4.181 2.824 -0.909 + 7584TIP3 H229062 4.080 2.710 -0.925 + 7585TIP3 OH229063 4.184 3.119 -1.959 + 7585TIP3 H129064 4.206 3.123 -2.053 + 7585TIP3 H229065 4.208 3.206 -1.926 + 7586TIP3 OH229066 3.573 3.033 -1.793 + 7586TIP3 H129067 3.590 2.987 -1.708 + 7586TIP3 H229068 3.489 2.992 -1.819 + 7587TIP3 OH229069 3.475 2.613 -0.981 + 7587TIP3 H129070 3.501 2.564 -0.901 + 7587TIP3 H229071 3.398 2.562 -1.014 + 7588TIP3 OH229072 3.795 1.454 -1.401 + 7588TIP3 H129073 3.711 1.457 -1.451 + 7588TIP3 H229074 3.792 1.541 -1.357 + 7589TIP3 OH229075 4.233 1.401 -0.974 + 7589TIP3 H129076 4.244 1.325 -0.914 + 7589TIP3 H229077 4.142 1.385 -1.007 + 7590TIP3 OH229078 4.234 1.678 -2.300 + 7590TIP3 H129079 4.168 1.659 -2.232 + 7590TIP3 H229080 4.206 1.615 -2.368 + 7591TIP3 OH229081 3.788 1.980 -1.764 + 7591TIP3 H129082 3.694 1.962 -1.774 + 7591TIP3 H229083 3.823 1.945 -1.848 + 7592TIP3 OH229084 4.297 1.969 -1.883 + 7592TIP3 H129085 4.273 2.062 -1.897 + 7592TIP3 H229086 4.323 1.940 -1.971 + 7593TIP3 OH229087 4.252 2.033 -0.746 + 7593TIP3 H129088 4.194 1.954 -0.742 + 7593TIP3 H229089 4.337 1.985 -0.744 + 7594TIP3 OH229090 3.525 1.954 -1.093 + 7594TIP3 H129091 3.535 2.000 -1.009 + 7594TIP3 H229092 3.484 1.870 -1.067 + 7595TIP3 OH229093 3.866 1.723 -2.425 + 7595TIP3 H129094 3.827 1.688 -2.342 + 7595TIP3 H229095 3.787 1.734 -2.480 + 7596TIP3 OH229096 3.201 1.706 -1.714 + 7596TIP3 H129097 3.263 1.711 -1.639 + 7596TIP3 H229098 3.253 1.663 -1.783 + 7597TIP3 OH229099 3.357 1.745 -2.143 + 7597TIP3 H129100 3.413 1.794 -2.207 + 7597TIP3 H229101 3.290 1.812 -2.123 + 7598TIP3 OH229102 4.359 2.073 -1.135 + 7598TIP3 H129103 4.365 2.016 -1.216 + 7598TIP3 H229104 4.272 2.051 -1.104 + 7599TIP3 OH229105 4.044 1.691 -1.668 + 7599TIP3 H129106 3.951 1.699 -1.642 + 7599TIP3 H229107 4.085 1.723 -1.586 + 7600TIP3 OH229108 3.517 1.837 -1.808 + 7600TIP3 H129109 3.432 1.862 -1.847 + 7600TIP3 H229110 3.544 1.758 -1.858 + 7601TIP3 OH229111 3.864 1.864 -2.033 + 7601TIP3 H129112 3.960 1.869 -2.027 + 7601TIP3 H229113 3.840 1.926 -2.104 + 7602TIP3 OH229114 3.721 1.992 -2.259 + 7602TIP3 H129115 3.661 1.962 -2.329 + 7602TIP3 H229116 3.804 2.004 -2.309 + 7603TIP3 OH229117 3.582 2.462 -0.763 + 7603TIP3 H129118 3.649 2.471 -0.692 + 7603TIP3 H229119 3.502 2.455 -0.709 + 7604TIP3 OH229120 3.674 1.602 -1.884 + 7604TIP3 H129121 3.622 1.523 -1.860 + 7604TIP3 H229122 3.761 1.564 -1.903 + 7605TIP3 OH229123 4.071 2.433 -2.073 + 7605TIP3 H129124 3.995 2.385 -2.113 + 7605TIP3 H229125 4.048 2.435 -1.979 + 7606TIP3 OH229126 4.209 2.438 -0.948 + 7606TIP3 H129127 4.183 2.422 -0.857 + 7606TIP3 H229128 4.214 2.535 -0.953 + 7607TIP3 OH229129 3.569 2.374 -1.504 + 7607TIP3 H129130 3.648 2.361 -1.557 + 7607TIP3 H229131 3.569 2.296 -1.446 + 7608TIP3 OH229132 4.287 2.575 -2.175 + 7608TIP3 H129133 4.260 2.665 -2.146 + 7608TIP3 H229134 4.211 2.523 -2.144 + 7609TIP3 OH229135 3.999 2.162 -0.764 + 7609TIP3 H129136 3.959 2.130 -0.847 + 7609TIP3 H229137 4.093 2.137 -0.777 + 7610TIP3 OH229138 3.820 2.713 -1.771 + 7610TIP3 H129139 3.856 2.802 -1.780 + 7610TIP3 H229140 3.725 2.730 -1.778 + 7611TIP3 OH229141 3.415 2.194 -2.304 + 7611TIP3 H129142 3.475 2.260 -2.266 + 7611TIP3 H229143 3.329 2.230 -2.277 + 7612TIP3 OH229144 3.996 2.480 -1.754 + 7612TIP3 H129145 3.973 2.570 -1.783 + 7612TIP3 H229146 3.911 2.432 -1.769 + 7613TIP3 OH229147 4.022 2.911 -1.170 + 7613TIP3 H129148 4.078 2.985 -1.200 + 7613TIP3 H229149 4.083 2.863 -1.112 + 7614TIP3 OH229150 3.859 3.004 -1.846 + 7614TIP3 H129151 3.764 3.019 -1.834 + 7614TIP3 H229152 3.896 3.091 -1.821 + 7615TIP3 OH229153 3.426 1.686 -0.988 + 7615TIP3 H129154 3.339 1.707 -1.026 + 7615TIP3 H229155 3.414 1.593 -0.963 + 7616TIP3 OH229156 3.419 2.869 -1.161 + 7616TIP3 H129157 3.414 2.773 -1.174 + 7616TIP3 H229158 3.445 2.875 -1.069 + 7617TIP3 OH229159 3.993 2.724 -2.463 + 7617TIP3 H129160 4.029 2.648 -2.513 + 7617TIP3 H229161 3.957 2.680 -2.384 + 7618TIP3 OH229162 3.885 2.667 -2.188 + 7618TIP3 H129163 3.936 2.619 -2.121 + 7618TIP3 H229164 3.897 2.760 -2.159 + 7619TIP3 OH229165 3.566 2.416 -2.152 + 7619TIP3 H129166 3.493 2.455 -2.099 + 7619TIP3 H229167 3.612 2.496 -2.181 + 7620TIP3 OH229168 4.346 1.711 -1.106 + 7620TIP3 H129169 4.358 1.642 -1.040 + 7620TIP3 H229170 4.275 1.675 -1.162 + 7621TIP3 OH229171 4.167 2.831 -2.136 + 7621TIP3 H129172 4.089 2.884 -2.112 + 7621TIP3 H229173 4.211 2.889 -2.199 + 7622TIP3 OH229174 4.114 1.778 -1.928 + 7622TIP3 H129175 4.185 1.841 -1.900 + 7622TIP3 H229176 4.079 1.758 -1.839 + 7623TIP3 OH229177 4.147 1.863 -0.984 + 7623TIP3 H129178 4.169 1.955 -0.964 + 7623TIP3 H229179 4.223 1.832 -1.036 + 7624TIP3 OH229180 4.195 1.502 -1.810 + 7624TIP3 H129181 4.163 1.579 -1.757 + 7624TIP3 H229182 4.272 1.541 -1.855 + 7625TIP3 OH229183 3.894 2.940 -2.130 + 7625TIP3 H129184 3.891 3.022 -2.183 + 7625TIP3 H229185 3.880 2.974 -2.039 + 7626TIP3 OH229186 3.773 1.612 -2.190 + 7626TIP3 H129187 3.767 1.681 -2.122 + 7626TIP3 H229188 3.850 1.561 -2.161 + 7627TIP3 OH229189 3.610 2.695 -2.276 + 7627TIP3 H129190 3.682 2.747 -2.235 + 7627TIP3 H229191 3.661 2.646 -2.342 + 7628TIP3 OH229192 3.421 1.914 -2.359 + 7628TIP3 H129193 3.436 2.009 -2.340 + 7628TIP3 H229194 3.340 1.915 -2.411 + 7629TIP3 OH229195 3.513 1.419 -1.484 + 7629TIP3 H129196 3.496 1.419 -1.581 + 7629TIP3 H229197 3.479 1.333 -1.456 + 7630TIP3 OH229198 3.404 2.760 -1.868 + 7630TIP3 H129199 3.336 2.807 -1.817 + 7630TIP3 H229200 3.435 2.828 -1.930 + 7631TIP3 OH229201 3.342 3.055 -0.744 + 7631TIP3 H129202 3.402 3.028 -0.673 + 7631TIP3 H229203 3.304 2.970 -0.771 + 7632TIP3 OH229204 3.813 2.963 -0.563 + 7632TIP3 H129205 3.882 2.897 -0.545 + 7632TIP3 H229206 3.789 2.940 -0.655 + 7633TIP3 OH229207 4.231 2.889 -2.431 + 7633TIP3 H129208 4.147 2.837 -2.430 + 7633TIP3 H229209 4.294 2.816 -2.445 + 7634TIP3 OH229210 3.338 2.415 -0.626 + 7634TIP3 H129211 3.356 2.329 -0.670 + 7634TIP3 H229212 3.264 2.448 -0.681 + 7635TIP3 OH229213 3.762 2.464 -2.430 + 7635TIP3 H129214 3.779 2.405 -2.355 + 7635TIP3 H229215 3.848 2.461 -2.476 + 7636TIP3 OH229216 4.010 2.442 -0.700 + 7636TIP3 H129217 3.977 2.474 -0.785 + 7636TIP3 H229218 4.015 2.345 -0.714 + 7637TIP3 OH229219 4.260 2.597 -2.474 + 7637TIP3 H129220 4.279 2.607 -2.379 + 7637TIP3 H229221 4.244 2.501 -2.479 + 7638TIP3 OH229222 3.442 2.157 -0.704 + 7638TIP3 H129223 3.479 2.071 -0.726 + 7638TIP3 H229224 3.388 2.137 -0.627 + 7639TIP3 OH229225 3.872 2.270 -2.194 + 7639TIP3 H129226 3.808 2.219 -2.142 + 7639TIP3 H229227 3.902 2.202 -2.258 + 7640TIP3 OH229228 3.808 2.057 -0.964 + 7640TIP3 H129229 3.737 2.123 -0.963 + 7640TIP3 H229230 3.848 2.071 -1.051 + 7641TIP3 OH229231 3.979 2.072 -2.367 + 7641TIP3 H129232 3.970 2.078 -2.464 + 7641TIP3 H229233 4.075 2.085 -2.356 + 7642TIP3 OH229234 4.285 2.297 -0.598 + 7642TIP3 H129235 4.355 2.267 -0.655 + 7642TIP3 H229236 4.266 2.215 -0.549 + 7643TIP3 OH229237 3.846 1.776 -0.857 + 7643TIP3 H129238 3.869 1.715 -0.928 + 7643TIP3 H229239 3.839 1.860 -0.905 + 7644TIP3 OH229240 3.908 1.640 -1.145 + 7644TIP3 H129241 3.946 1.712 -1.199 + 7644TIP3 H229242 3.813 1.653 -1.161 + 7645TIP3 OH229243 4.082 2.162 -1.072 + 7645TIP3 H129244 4.120 2.145 -1.158 + 7645TIP3 H229245 4.040 2.248 -1.087 + 7646TIP3 OH229246 3.671 1.950 -0.660 + 7646TIP3 H129247 3.621 1.871 -0.688 + 7646TIP3 H229248 3.748 1.945 -0.718 + 7647TIP3 OH229249 3.965 1.375 -1.072 + 7647TIP3 H129250 3.953 1.468 -1.101 + 7647TIP3 H229251 3.902 1.329 -1.130 + 7648TIP3 OH229252 4.105 1.804 -0.696 + 7648TIP3 H129253 4.056 1.781 -0.615 + 7648TIP3 H229254 4.038 1.786 -0.765 + 7649TIP3 OH229255 3.542 1.712 -0.684 + 7649TIP3 H129256 3.522 1.663 -0.765 + 7649TIP3 H229257 3.502 1.656 -0.615 + 7650TIP3 OH229258 3.943 1.308 -0.795 + 7650TIP3 H129259 4.005 1.234 -0.789 + 7650TIP3 H229260 3.943 1.326 -0.891 + 7651TIP3 OH229261 4.033 1.486 -0.598 + 7651TIP3 H129262 4.010 1.433 -0.676 + 7651TIP3 H229263 3.974 1.562 -0.606 + 7652TIP3 OH229264 3.956 3.194 -2.259 + 7652TIP3 H129265 4.052 3.202 -2.251 + 7652TIP3 H229266 3.941 3.243 -2.341 + 7653TIP3 OH229267 3.334 2.637 -2.306 + 7653TIP3 H129268 3.429 2.656 -2.293 + 7653TIP3 H229269 3.337 2.559 -2.365 + 7654TIP3 OH229270 3.234 3.154 -1.830 + 7654TIP3 H129271 3.162 3.116 -1.883 + 7654TIP3 H229272 3.244 3.085 -1.760 + 7655TIP3 OH229273 3.272 2.946 -1.630 + 7655TIP3 H129274 3.242 2.858 -1.597 + 7655TIP3 H229275 3.305 2.978 -1.544 + 7656TIP3 OH229276 3.256 2.259 -1.396 + 7656TIP3 H129277 3.269 2.327 -1.464 + 7656TIP3 H229278 3.335 2.271 -1.340 + 7657TIP3 OH229279 3.272 1.836 -0.696 + 7657TIP3 H129280 3.336 1.838 -0.768 + 7657TIP3 H229281 3.198 1.788 -0.735 + 7658TIP3 OH229282 3.362 1.675 -1.469 + 7658TIP3 H129283 3.405 1.588 -1.460 + 7658TIP3 H229284 3.430 1.733 -1.432 + 7659TIP3 OH229285 3.202 1.950 -1.358 + 7659TIP3 H129286 3.266 1.939 -1.430 + 7659TIP3 H229287 3.227 2.039 -1.328 + 7660TIP3 OH229288 3.236 1.558 -1.970 + 7660TIP3 H129289 3.143 1.583 -1.984 + 7660TIP3 H229290 3.285 1.620 -2.028 + 7661TIP3 OH229291 3.254 1.448 -1.150 + 7661TIP3 H129292 3.183 1.430 -1.086 + 7661TIP3 H229293 3.207 1.504 -1.214 + 7662TIP3 OH229294 3.456 2.760 -0.682 + 7662TIP3 H129295 3.385 2.753 -0.748 + 7662TIP3 H229296 3.406 2.758 -0.599 + 7663TIP3 OH229297 3.743 2.858 -1.112 + 7663TIP3 H129298 3.704 2.939 -1.148 + 7663TIP3 H229299 3.837 2.873 -1.131 + 7664TIP3 OH229300 4.221 3.021 -0.825 + 7664TIP3 H129301 4.204 2.987 -0.736 + 7664TIP3 H229302 4.315 3.044 -0.817 + 7665TIP3 OH229303 3.485 3.164 -1.077 + 7665TIP3 H129304 3.420 3.217 -1.125 + 7665TIP3 H229305 3.441 3.154 -0.992 + 7666TIP3 OH229306 3.731 3.133 -1.224 + 7666TIP3 H129307 3.645 3.147 -1.179 + 7666TIP3 H229308 3.729 3.203 -1.291 + 7667TIP3 OH229309 4.197 3.108 -1.269 + 7667TIP3 H129310 4.177 3.159 -1.350 + 7667TIP3 H229311 4.258 3.167 -1.222 + 7668TIP3 OH229312 3.435 3.036 -1.385 + 7668TIP3 H129313 3.422 2.981 -1.304 + 7668TIP3 H229314 3.504 2.983 -1.429 + 7669TIP3 OH229315 3.638 2.906 -1.551 + 7669TIP3 H129316 3.616 2.817 -1.514 + 7669TIP3 H229317 3.721 2.925 -1.505 + 7670TIP3 OH229318 3.915 2.961 -1.453 + 7670TIP3 H129319 3.933 2.869 -1.475 + 7670TIP3 H229320 3.919 2.959 -1.356 + 7671TIP3 OH229321 4.275 1.504 -1.522 + 7671TIP3 H129322 4.185 1.470 -1.506 + 7671TIP3 H229323 4.292 1.470 -1.610 + 7672TIP3 OH229324 3.478 1.415 -1.768 + 7672TIP3 H129325 3.392 1.397 -1.810 + 7672TIP3 H229326 3.522 1.329 -1.780 + 7673TIP3 OH229327 3.360 1.365 -2.179 + 7673TIP3 H129328 3.412 1.431 -2.228 + 7673TIP3 H229329 3.318 1.419 -2.110 + 7674TIP3 OH229330 3.930 1.397 -1.780 + 7674TIP3 H129331 4.022 1.427 -1.787 + 7674TIP3 H229332 3.922 1.389 -1.684 + 7675TIP3 OH229333 3.383 2.962 -2.067 + 7675TIP3 H129334 3.316 2.950 -2.136 + 7675TIP3 H229335 3.378 3.057 -2.054 + 7676TIP3 OH229336 3.532 1.548 -2.337 + 7676TIP3 H129337 3.592 1.491 -2.388 + 7676TIP3 H229338 3.593 1.582 -2.268 + 7677TIP3 OH229339 4.066 1.562 -2.082 + 7677TIP3 H129340 4.064 1.498 -2.009 + 7677TIP3 H229341 4.062 1.647 -2.033 + 7678TIP3 OH229342 4.263 3.124 -2.254 + 7678TIP3 H129343 4.351 3.162 -2.272 + 7678TIP3 H229344 4.249 3.066 -2.331 + 7679TIP3 OH229345 3.461 1.430 -0.821 + 7679TIP3 H129346 3.426 1.357 -0.768 + 7679TIP3 H229347 3.554 1.431 -0.791 + 7680TIP3 OH229348 3.695 1.378 -0.642 + 7680TIP3 H129349 3.780 1.346 -0.678 + 7680TIP3 H229350 3.665 1.299 -0.594 + 7681TIP3 OH229351 3.524 3.055 -2.384 + 7681TIP3 H129352 3.499 3.080 -2.293 + 7681TIP3 H229353 3.601 2.998 -2.369 + 7682TIP3 OH229354 -3.158 4.202 -1.760 + 7682TIP3 H129355 -3.188 4.294 -1.758 + 7682TIP3 H229356 -3.233 4.161 -1.806 + 7683TIP3 OH229357 -3.280 4.133 -1.432 + 7683TIP3 H129358 -3.275 4.080 -1.350 + 7683TIP3 H229359 -3.303 4.067 -1.498 + 7684TIP3 OH229360 -4.021 4.074 -1.276 + 7684TIP3 H129361 -4.033 4.005 -1.208 + 7684TIP3 H229362 -3.967 4.138 -1.227 + 7685TIP3 OH229363 -4.212 3.922 -1.995 + 7685TIP3 H129364 -4.234 4.000 -1.942 + 7685TIP3 H229365 -4.299 3.879 -2.004 + 7686TIP3 OH229366 -4.194 4.120 -1.721 + 7686TIP3 H129367 -4.196 4.057 -1.648 + 7686TIP3 H229368 -4.100 4.142 -1.721 + 7687TIP3 OH229369 -2.559 3.521 -1.313 + 7687TIP3 H129370 -2.536 3.585 -1.243 + 7687TIP3 H229371 -2.499 3.550 -1.384 + 7688TIP3 OH229372 -3.095 3.804 -1.326 + 7688TIP3 H129373 -3.083 3.707 -1.322 + 7688TIP3 H229374 -3.105 3.818 -1.421 + 7689TIP3 OH229375 -3.798 3.605 -1.620 + 7689TIP3 H129376 -3.785 3.691 -1.665 + 7689TIP3 H229377 -3.834 3.553 -1.694 + 7690TIP3 OH229378 -3.014 3.622 -1.788 + 7690TIP3 H129379 -2.955 3.580 -1.721 + 7690TIP3 H229380 -2.948 3.668 -1.843 + 7691TIP3 OH229381 -4.143 3.878 -1.570 + 7691TIP3 H129382 -4.083 3.843 -1.501 + 7691TIP3 H229383 -4.117 3.822 -1.645 + 7692TIP3 OH229384 -3.589 4.018 -1.622 + 7692TIP3 H129385 -3.522 3.959 -1.581 + 7692TIP3 H229386 -3.645 3.953 -1.668 + 7693TIP3 OH229387 -2.487 3.659 -1.065 + 7693TIP3 H129388 -2.543 3.732 -1.096 + 7693TIP3 H229389 -2.509 3.658 -0.971 + 7694TIP3 OH229390 -3.919 3.487 -1.202 + 7694TIP3 H129391 -3.962 3.534 -1.275 + 7694TIP3 H229392 -3.981 3.503 -1.129 + 7695TIP3 OH229393 -3.647 4.266 -1.224 + 7695TIP3 H129394 -3.727 4.319 -1.218 + 7695TIP3 H229395 -3.581 4.337 -1.233 + 7696TIP3 OH229396 -2.830 3.545 -1.583 + 7696TIP3 H129397 -2.873 3.490 -1.516 + 7696TIP3 H229398 -2.779 3.607 -1.528 + 7697TIP3 OH229399 -3.957 3.691 -1.410 + 7697TIP3 H129400 -3.894 3.749 -1.364 + 7697TIP3 H229401 -3.899 3.654 -1.480 + 7698TIP3 OH229402 -2.818 3.459 -1.200 + 7698TIP3 H129403 -2.895 3.501 -1.243 + 7698TIP3 H229404 -2.745 3.481 -1.261 + 7699TIP3 OH229405 -3.505 3.233 -1.494 + 7699TIP3 H129406 -3.529 3.138 -1.500 + 7699TIP3 H229407 -3.588 3.272 -1.457 + 7700TIP3 OH229408 -3.308 4.143 -2.020 + 7700TIP3 H129409 -3.372 4.179 -2.084 + 7700TIP3 H229410 -3.230 4.134 -2.078 + 7701TIP3 OH229411 -3.267 3.942 -2.302 + 7701TIP3 H129412 -3.194 3.979 -2.249 + 7701TIP3 H229413 -3.217 3.892 -2.369 + 7702TIP3 OH229414 -2.556 4.054 -1.196 + 7702TIP3 H129415 -2.620 4.127 -1.182 + 7702TIP3 H229416 -2.504 4.094 -1.269 + 7703TIP3 OH229417 -2.936 4.140 -1.919 + 7703TIP3 H129418 -3.001 4.162 -1.850 + 7703TIP3 H229419 -2.869 4.090 -1.869 + 7704TIP3 OH229420 -2.963 3.980 -1.026 + 7704TIP3 H129421 -2.959 4.057 -0.967 + 7704TIP3 H229422 -3.018 4.018 -1.098 + 7705TIP3 OH229423 -3.771 4.217 -1.730 + 7705TIP3 H129424 -3.800 4.181 -1.816 + 7705TIP3 H229425 -3.702 4.154 -1.704 + 7706TIP3 OH229426 -3.731 4.075 -1.390 + 7706TIP3 H129427 -3.668 4.077 -1.466 + 7706TIP3 H229428 -3.696 4.145 -1.331 + 7707TIP3 OH229429 -3.056 4.074 -2.155 + 7707TIP3 H129430 -2.998 4.101 -2.080 + 7707TIP3 H229431 -3.009 4.119 -2.230 + 7708TIP3 OH229432 -3.957 4.144 -0.989 + 7708TIP3 H129433 -3.949 4.202 -0.910 + 7708TIP3 H229434 -4.048 4.167 -1.015 + 7709TIP3 OH229435 -2.705 3.246 -2.213 + 7709TIP3 H129436 -2.792 3.257 -2.170 + 7709TIP3 H229437 -2.669 3.336 -2.209 + 7710TIP3 OH229438 -3.896 4.087 -1.975 + 7710TIP3 H129439 -3.912 4.164 -2.033 + 7710TIP3 H229440 -3.963 4.024 -2.007 + 7711TIP3 OH229441 -4.201 4.278 -1.110 + 7711TIP3 H129442 -4.258 4.314 -1.180 + 7711TIP3 H229443 -4.264 4.242 -1.045 + 7712TIP3 OH229444 -2.764 3.837 -0.792 + 7712TIP3 H129445 -2.815 3.876 -0.865 + 7712TIP3 H229446 -2.759 3.744 -0.821 + 7713TIP3 OH229447 -3.748 3.348 -1.404 + 7713TIP3 H129448 -3.831 3.339 -1.454 + 7713TIP3 H229449 -3.771 3.421 -1.345 + 7714TIP3 OH229450 -3.311 3.306 -1.039 + 7714TIP3 H129451 -3.259 3.254 -0.975 + 7714TIP3 H229452 -3.402 3.273 -1.026 + 7715TIP3 OH229453 -2.993 3.685 -0.986 + 7715TIP3 H129454 -3.055 3.671 -0.912 + 7715TIP3 H229455 -3.002 3.780 -1.004 + 7716TIP3 OH229456 -2.917 4.176 -2.361 + 7716TIP3 H129457 -2.921 4.158 -2.457 + 7716TIP3 H229458 -2.828 4.216 -2.354 + 7717TIP3 OH229459 -3.330 3.557 -2.312 + 7717TIP3 H129460 -3.380 3.544 -2.230 + 7717TIP3 H229461 -3.371 3.490 -2.369 + 7718TIP3 OH229462 -3.761 3.827 -1.261 + 7718TIP3 H129463 -3.823 3.839 -1.187 + 7718TIP3 H229464 -3.756 3.917 -1.299 + 7719TIP3 OH229465 -3.769 3.833 -1.775 + 7719TIP3 H129466 -3.865 3.830 -1.793 + 7719TIP3 H229467 -3.734 3.817 -1.865 + 7720TIP3 OH229468 -3.207 3.898 -1.895 + 7720TIP3 H129469 -3.252 3.975 -1.934 + 7720TIP3 H229470 -3.139 3.879 -1.962 + 7721TIP3 OH229471 -3.287 3.921 -0.753 + 7721TIP3 H129472 -3.337 3.843 -0.721 + 7721TIP3 H229473 -3.198 3.905 -0.716 + 7722TIP3 OH229474 -3.124 3.830 -1.620 + 7722TIP3 H129475 -3.150 3.885 -1.695 + 7722TIP3 H229476 -3.099 3.749 -1.668 + 7723TIP3 OH229477 -4.023 3.842 -1.080 + 7723TIP3 H129478 -4.000 3.884 -0.996 + 7723TIP3 H229479 -4.052 3.754 -1.051 + 7724TIP3 OH229480 -3.687 3.603 -2.419 + 7724TIP3 H129481 -3.724 3.565 -2.338 + 7724TIP3 H229482 -3.764 3.617 -2.474 + 7725TIP3 OH229483 -4.320 3.604 -1.714 + 7725TIP3 H129484 -4.304 3.580 -1.620 + 7725TIP3 H229485 -4.278 3.532 -1.760 + 7726TIP3 OH229486 -4.208 3.645 -2.131 + 7726TIP3 H129487 -4.148 3.674 -2.202 + 7726TIP3 H229488 -4.291 3.687 -2.157 + 7727TIP3 OH229489 -3.225 3.997 -1.177 + 7727TIP3 H129490 -3.170 3.930 -1.224 + 7727TIP3 H229491 -3.251 3.947 -1.098 + 7728TIP3 OH229492 -3.491 3.592 -1.671 + 7728TIP3 H129493 -3.585 3.591 -1.648 + 7728TIP3 H229494 -3.449 3.577 -1.585 + 7729TIP3 OH229495 -4.041 3.720 -1.809 + 7729TIP3 H129496 -4.115 3.735 -1.871 + 7729TIP3 H229497 -4.003 3.637 -1.843 + 7730TIP3 OH229498 -3.671 3.749 -2.037 + 7730TIP3 H129499 -3.574 3.758 -2.030 + 7730TIP3 H229500 -3.695 3.811 -2.108 + 7731TIP3 OH229501 -3.052 3.506 -1.370 + 7731TIP3 H129502 -3.115 3.508 -1.295 + 7731TIP3 H229503 -3.111 3.474 -1.440 + 7732TIP3 OH229504 -3.826 3.878 -2.259 + 7732TIP3 H129505 -3.882 3.844 -2.330 + 7732TIP3 H229506 -3.744 3.897 -2.307 + 7733TIP3 OH229507 -3.956 4.308 -0.775 + 7733TIP3 H129508 -3.891 4.357 -0.721 + 7733TIP3 H229509 -4.036 4.321 -0.721 + 7734TIP3 OH229510 -3.391 3.848 -1.490 + 7734TIP3 H129511 -3.314 3.808 -1.533 + 7734TIP3 H229512 -3.404 3.789 -1.413 + 7735TIP3 OH229513 -3.873 3.485 -1.864 + 7735TIP3 H129514 -3.917 3.399 -1.859 + 7735TIP3 H229515 -3.792 3.464 -1.912 + 7736TIP3 OH229516 -3.492 3.694 -1.265 + 7736TIP3 H129517 -3.569 3.753 -1.264 + 7736TIP3 H229518 -3.442 3.721 -1.185 + 7737TIP3 OH229519 -3.526 4.365 -2.046 + 7737TIP3 H129520 -3.558 4.301 -2.112 + 7737TIP3 H229521 -3.465 4.317 -1.990 + 7738TIP3 OH229522 -2.731 4.265 -1.207 + 7738TIP3 H129523 -2.704 4.311 -1.289 + 7738TIP3 H229524 -2.826 4.256 -1.227 + 7739TIP3 OH229525 -3.062 3.615 -2.297 + 7739TIP3 H129526 -3.160 3.615 -2.302 + 7739TIP3 H229527 -3.043 3.689 -2.236 + 7740TIP3 OH229528 -2.994 3.798 -2.090 + 7740TIP3 H129529 -2.906 3.781 -2.052 + 7740TIP3 H229530 -2.982 3.885 -2.132 + 7741TIP3 OH229531 -3.973 4.217 -1.543 + 7741TIP3 H129532 -3.885 4.232 -1.584 + 7741TIP3 H229533 -3.949 4.167 -1.464 + 7742TIP3 OH229534 -4.283 4.108 -0.919 + 7742TIP3 H129535 -4.237 4.047 -0.858 + 7742TIP3 H229536 -4.299 4.053 -0.999 + 7743TIP3 OH229537 -3.542 4.050 -0.765 + 7743TIP3 H129538 -3.577 4.027 -0.853 + 7743TIP3 H229539 -3.447 4.028 -0.777 + 7744TIP3 OH229540 -2.537 3.798 -2.118 + 7744TIP3 H129541 -2.591 3.779 -2.197 + 7744TIP3 H229542 -2.523 3.894 -2.132 + 7745TIP3 OH229543 -2.989 4.181 -1.340 + 7745TIP3 H129544 -3.080 4.182 -1.373 + 7745TIP3 H229545 -2.941 4.135 -1.410 + 7746TIP3 OH229546 -4.159 4.100 -2.297 + 7746TIP3 H129547 -4.083 4.146 -2.257 + 7746TIP3 H229548 -4.229 4.164 -2.277 + 7747TIP3 OH229549 -4.100 3.572 -1.001 + 7747TIP3 H129550 -4.185 3.608 -1.032 + 7747TIP3 H229551 -4.123 3.487 -0.961 + 7748TIP3 OH229552 -3.960 -4.393 -2.135 + 7748TIP3 H129553 -4.051 -4.358 -2.127 + 7748TIP3 H229554 -3.911 -4.312 -2.154 + 7749TIP3 OH229555 -3.209 3.548 -1.151 + 7749TIP3 H129556 -3.149 3.576 -1.080 + 7749TIP3 H229557 -3.259 3.475 -1.109 + 7750TIP3 OH229558 -3.146 3.493 -2.024 + 7750TIP3 H129559 -3.128 3.545 -2.103 + 7750TIP3 H229560 -3.100 3.544 -1.955 + 7751TIP3 OH229561 -3.404 3.692 -1.929 + 7751TIP3 H129562 -3.328 3.752 -1.915 + 7751TIP3 H229563 -3.434 3.675 -1.837 + 7752TIP3 OH229564 -3.365 3.790 -1.012 + 7752TIP3 H129565 -3.361 3.841 -0.929 + 7752TIP3 H229566 -3.316 3.711 -0.988 + 7753TIP3 OH229567 -3.346 3.393 -1.835 + 7753TIP3 H129568 -3.366 3.463 -1.770 + 7753TIP3 H229569 -3.273 3.435 -1.885 + 7754TIP3 OH229570 -3.774 3.494 -2.177 + 7754TIP3 H129571 -3.765 3.575 -2.123 + 7754TIP3 H229572 -3.692 3.447 -2.153 + 7755TIP3 OH229573 -2.741 3.583 -0.924 + 7755TIP3 H129574 -2.836 3.597 -0.940 + 7755TIP3 H229575 -2.714 3.564 -1.015 + 7756TIP3 OH229576 -2.887 3.967 -1.530 + 7756TIP3 H129577 -2.972 3.922 -1.548 + 7756TIP3 H229578 -2.840 3.899 -1.476 + 7757TIP3 OH229579 -4.113 3.799 -2.362 + 7757TIP3 H129580 -4.108 3.892 -2.337 + 7757TIP3 H229581 -4.198 3.789 -2.404 + 7758TIP3 OH229582 -4.024 3.294 -1.489 + 7758TIP3 H129583 -4.059 3.294 -1.580 + 7758TIP3 H229584 -4.069 3.216 -1.450 + 7759TIP3 OH229585 -4.199 4.349 -0.666 + 7759TIP3 H129586 -4.194 4.253 -0.660 + 7759TIP3 H229587 -4.294 4.361 -0.647 + 7760TIP3 OH229588 -3.586 4.329 -0.727 + 7760TIP3 H129589 -3.585 4.345 -0.823 + 7760TIP3 H229590 -3.551 4.237 -0.723 + 7761TIP3 OH229591 -2.985 -4.376 -0.952 + 7761TIP3 H129592 -2.905 -4.333 -0.986 + 7761TIP3 H229593 -3.052 -4.310 -0.971 + 7762TIP3 OH229594 -4.130 4.021 -0.700 + 7762TIP3 H129595 -4.050 3.966 -0.708 + 7762TIP3 H229596 -4.132 4.037 -0.604 + 7763TIP3 OH229597 -3.662 4.161 -2.200 + 7763TIP3 H129598 -3.727 4.120 -2.142 + 7763TIP3 H229599 -3.646 4.092 -2.267 + 7764TIP3 OH229600 -3.746 3.934 -0.966 + 7764TIP3 H129601 -3.806 4.009 -0.950 + 7764TIP3 H229602 -3.685 3.970 -1.032 + 7765TIP3 OH229603 -3.578 3.957 -2.373 + 7765TIP3 H129604 -3.580 3.972 -2.470 + 7765TIP3 H229605 -3.482 3.955 -2.356 + 7766TIP3 OH229606 -3.218 4.216 -0.612 + 7766TIP3 H129607 -3.131 4.196 -0.649 + 7766TIP3 H229608 -3.252 4.129 -0.589 + 7767TIP3 OH229609 -2.650 4.189 -2.450 + 7767TIP3 H129610 -2.657 4.183 -2.547 + 7767TIP3 H229611 -2.644 4.285 -2.434 + 7768TIP3 OH229612 -3.690 3.663 -0.856 + 7768TIP3 H129613 -3.684 3.598 -0.928 + 7768TIP3 H229614 -3.711 3.744 -0.905 + 7769TIP3 OH229615 -3.656 3.510 -1.112 + 7769TIP3 H129616 -3.605 3.563 -1.175 + 7769TIP3 H229617 -3.748 3.514 -1.147 + 7770TIP3 OH229618 -3.506 4.067 -1.080 + 7770TIP3 H129619 -3.422 4.056 -1.128 + 7770TIP3 H229620 -3.541 4.148 -1.121 + 7771TIP3 OH229621 -3.043 3.849 -0.593 + 7771TIP3 H129622 -3.022 3.755 -0.581 + 7771TIP3 H229623 -2.954 3.888 -0.599 + 7772TIP3 OH229624 -2.947 4.136 -0.758 + 7772TIP3 H129625 -2.971 4.208 -0.821 + 7772TIP3 H229626 -2.856 4.119 -0.786 + 7773TIP3 OH229627 -3.878 3.853 -0.677 + 7773TIP3 H129628 -3.931 3.771 -0.678 + 7773TIP3 H229629 -3.797 3.826 -0.722 + 7774TIP3 OH229630 -3.585 3.243 -1.076 + 7774TIP3 H129631 -3.602 3.338 -1.093 + 7774TIP3 H229632 -3.656 3.201 -1.129 + 7775TIP3 OH229633 -3.457 3.700 -0.698 + 7775TIP3 H129634 -3.493 3.681 -0.609 + 7775TIP3 H229635 -3.537 3.681 -0.752 + 7776TIP3 OH229636 -3.205 3.606 -0.811 + 7776TIP3 H129637 -3.293 3.612 -0.769 + 7776TIP3 H229638 -3.160 3.543 -0.752 + 7777TIP3 OH229639 -3.019 3.453 -0.637 + 7777TIP3 H129640 -3.036 3.358 -0.621 + 7777TIP3 H229641 -3.038 3.495 -0.551 + 7778TIP3 OH229642 -4.013 3.597 -0.694 + 7778TIP3 H129643 -4.017 3.525 -0.759 + 7778TIP3 H229644 -4.033 3.552 -0.611 + 7779TIP3 OH229645 -3.601 3.192 -0.795 + 7779TIP3 H129646 -3.542 3.115 -0.790 + 7779TIP3 H229647 -3.604 3.207 -0.891 + 7780TIP3 OH229648 -3.506 3.378 -0.608 + 7780TIP3 H129649 -3.537 3.319 -0.681 + 7780TIP3 H229650 -3.574 3.447 -0.607 + 7781TIP3 OH229651 -2.570 4.358 -2.014 + 7781TIP3 H129652 -2.474 4.365 -2.025 + 7781TIP3 H229653 -2.582 4.277 -1.962 + 7782TIP3 OH229654 -2.532 4.133 -1.847 + 7782TIP3 H129655 -2.608 4.089 -1.806 + 7782TIP3 H229656 -2.473 4.151 -1.772 + 7783TIP3 OH229657 -2.514 4.093 -2.194 + 7783TIP3 H129658 -2.576 4.117 -2.265 + 7783TIP3 H229659 -2.526 4.168 -2.134 + 7784TIP3 OH229660 -2.687 3.843 -2.361 + 7784TIP3 H129661 -2.666 3.907 -2.431 + 7784TIP3 H229662 -2.710 3.762 -2.411 + 7785TIP3 OH229663 -2.758 3.966 -1.773 + 7785TIP3 H129664 -2.759 3.869 -1.786 + 7785TIP3 H229665 -2.793 3.974 -1.681 + 7786TIP3 OH229666 -4.247 4.214 -1.388 + 7786TIP3 H129667 -4.231 4.179 -1.476 + 7786TIP3 H229668 -4.178 4.170 -1.334 + 7787TIP3 OH229669 -2.672 4.161 -0.849 + 7787TIP3 H129670 -2.599 4.101 -0.823 + 7787TIP3 H229671 -2.629 4.243 -0.876 + 7788TIP3 OH229672 -2.529 3.965 -0.734 + 7788TIP3 H129673 -2.610 3.912 -0.752 + 7788TIP3 H229674 -2.461 3.895 -0.730 + 7789TIP3 OH229675 -2.740 3.579 -2.442 + 7789TIP3 H129676 -2.681 3.530 -2.382 + 7789TIP3 H229677 -2.820 3.524 -2.447 + 7790TIP3 OH229678 -2.759 3.706 -1.946 + 7790TIP3 H129679 -2.733 3.611 -1.941 + 7790TIP3 H229680 -2.678 3.743 -1.987 + 7791TIP3 OH229681 -2.737 3.766 -1.403 + 7791TIP3 H129682 -2.640 3.780 -1.406 + 7791TIP3 H229683 -2.752 3.772 -1.308 + 7792TIP3 OH229684 -2.720 3.837 -1.121 + 7792TIP3 H129685 -2.806 3.876 -1.096 + 7792TIP3 H229686 -2.668 3.917 -1.145 + 7793TIP3 OH229687 -4.289 3.703 -0.770 + 7793TIP3 H129688 -4.200 3.665 -0.759 + 7793TIP3 H229689 -4.349 3.634 -0.740 + 7794TIP3 OH229690 -2.463 3.253 -0.592 + 7794TIP3 H129691 -2.423 3.184 -0.648 + 7794TIP3 H229692 -2.462 3.330 -0.651 + 7795TIP3 OH229693 -2.713 3.427 -1.949 + 7795TIP3 H129694 -2.701 3.396 -1.858 + 7795TIP3 H229695 -2.792 3.378 -1.977 + 7796TIP3 OH229696 -4.194 3.556 -1.451 + 7796TIP3 H129697 -4.159 3.466 -1.445 + 7796TIP3 H229698 -4.117 3.611 -1.425 + 7797TIP3 OH229699 -4.327 3.815 -1.357 + 7797TIP3 H129700 -4.292 3.766 -1.433 + 7797TIP3 H229701 -4.308 3.906 -1.381 + 7798TIP3 OH229702 -2.526 3.457 -0.767 + 7798TIP3 H129703 -2.614 3.500 -0.762 + 7798TIP3 H229704 -2.539 3.403 -0.847 + 7799TIP3 OH229705 -2.517 3.476 -2.284 + 7799TIP3 H129706 -2.483 3.395 -2.327 + 7799TIP3 H229707 -2.436 3.528 -2.272 + 7800TIP3 OH229708 -4.315 3.428 -2.009 + 7800TIP3 H129709 -4.400 3.459 -2.044 + 7800TIP3 H229710 -4.256 3.500 -2.042 + 7801TIP3 OH229711 -4.292 3.321 -1.175 + 7801TIP3 H129712 -4.358 3.316 -1.102 + 7801TIP3 H229713 -4.334 3.379 -1.241 + 7802TIP3 OH229714 -2.639 3.281 -0.969 + 7802TIP3 H129715 -2.719 3.303 -1.020 + 7802TIP3 H229716 -2.618 3.191 -1.003 + 7803TIP3 OH229717 -3.296 3.429 -1.522 + 7803TIP3 H129718 -3.366 3.363 -1.508 + 7803TIP3 H229719 -3.237 3.384 -1.584 + 7804TIP3 OH229720 -2.802 3.229 -1.477 + 7804TIP3 H129721 -2.727 3.276 -1.516 + 7804TIP3 H229722 -2.876 3.262 -1.530 + 7805TIP3 OH229723 -2.594 3.341 -1.692 + 7805TIP3 H129724 -2.521 3.303 -1.744 + 7805TIP3 H229725 -2.562 3.433 -1.680 + 7806TIP3 OH229726 -4.107 3.288 -1.770 + 7806TIP3 H129727 -4.180 3.259 -1.826 + 7806TIP3 H229728 -4.045 3.213 -1.780 + 7807TIP3 OH229729 -4.182 3.249 -2.189 + 7807TIP3 H129730 -4.131 3.316 -2.238 + 7807TIP3 H229731 -4.233 3.305 -2.128 + 7808TIP3 OH229732 -3.615 3.283 -1.779 + 7808TIP3 H129733 -3.524 3.314 -1.794 + 7808TIP3 H229734 -3.617 3.276 -1.683 + 7809TIP3 OH229735 -3.054 3.287 -1.638 + 7809TIP3 H129736 -3.030 3.273 -1.731 + 7809TIP3 H229737 -3.094 3.202 -1.615 + 7810TIP3 OH229738 -2.945 3.288 -2.039 + 7810TIP3 H129739 -3.026 3.339 -2.053 + 7810TIP3 H229740 -2.980 3.198 -2.029 + 7811TIP3 OH229741 -4.006 3.437 -2.335 + 7811TIP3 H129742 -3.948 3.379 -2.387 + 7811TIP3 H229743 -3.944 3.467 -2.265 + 7812TIP3 OH229744 -3.500 3.451 -2.074 + 7812TIP3 H129745 -3.464 3.394 -2.004 + 7812TIP3 H229746 -3.478 3.538 -2.037 + 7813TIP3 OH229747 -4.079 3.327 -0.818 + 7813TIP3 H129748 -4.125 3.252 -0.777 + 7813TIP3 H229749 -3.988 3.312 -0.787 + 7814TIP3 OH229750 -3.844 3.264 -0.641 + 7814TIP3 H129751 -3.762 3.228 -0.681 + 7814TIP3 H229752 -3.879 3.185 -0.596 + 7815TIP3 OH229753 -3.031 3.173 -0.625 + 7815TIP3 H129754 -3.027 3.133 -0.536 + 7815TIP3 H229755 -2.937 3.171 -0.650 + 7816TIP3 OH229756 -1.272 4.203 -1.762 + 7816TIP3 H129757 -1.304 4.294 -1.759 + 7816TIP3 H229758 -1.346 4.159 -1.806 + 7817TIP3 OH229759 -1.391 4.132 -1.432 + 7817TIP3 H129760 -1.389 4.080 -1.351 + 7817TIP3 H229761 -1.418 4.067 -1.498 + 7818TIP3 OH229762 -2.149 4.082 -1.271 + 7818TIP3 H129763 -2.150 4.007 -1.209 + 7818TIP3 H229764 -2.074 4.133 -1.237 + 7819TIP3 OH229765 -2.379 3.885 -1.878 + 7819TIP3 H129766 -2.421 3.972 -1.872 + 7819TIP3 H229767 -2.448 3.833 -1.921 + 7820TIP3 OH229768 -2.284 4.135 -1.693 + 7820TIP3 H129769 -2.285 4.055 -1.637 + 7820TIP3 H229770 -2.204 4.120 -1.744 + 7821TIP3 OH229771 -0.669 3.519 -1.311 + 7821TIP3 H129772 -0.652 3.586 -1.243 + 7821TIP3 H229773 -0.615 3.553 -1.384 + 7822TIP3 OH229774 -1.208 3.804 -1.326 + 7822TIP3 H129775 -1.197 3.708 -1.324 + 7822TIP3 H229776 -1.222 3.820 -1.421 + 7823TIP3 OH229777 -1.916 3.605 -1.618 + 7823TIP3 H129778 -1.898 3.689 -1.664 + 7823TIP3 H229779 -1.945 3.551 -1.694 + 7824TIP3 OH229780 -1.125 3.628 -1.781 + 7824TIP3 H129781 -1.066 3.581 -1.719 + 7824TIP3 H229782 -1.062 3.666 -1.843 + 7825TIP3 OH229783 -2.247 3.876 -1.568 + 7825TIP3 H129784 -2.182 3.831 -1.512 + 7825TIP3 H229785 -2.235 3.829 -1.653 + 7826TIP3 OH229786 -1.705 4.018 -1.619 + 7826TIP3 H129787 -1.636 3.960 -1.581 + 7826TIP3 H229788 -1.757 3.955 -1.671 + 7827TIP3 OH229789 -0.600 3.659 -1.064 + 7827TIP3 H129790 -0.658 3.732 -1.095 + 7827TIP3 H229791 -0.624 3.657 -0.970 + 7828TIP3 OH229792 -2.036 3.483 -1.201 + 7828TIP3 H129793 -2.074 3.533 -1.275 + 7828TIP3 H229794 -2.101 3.502 -1.131 + 7829TIP3 OH229795 -1.761 4.266 -1.225 + 7829TIP3 H129796 -1.842 4.320 -1.220 + 7829TIP3 H229797 -1.695 4.337 -1.233 + 7830TIP3 OH229798 -0.938 3.543 -1.583 + 7830TIP3 H129799 -0.988 3.488 -1.520 + 7830TIP3 H229800 -0.895 3.608 -1.524 + 7831TIP3 OH229801 -2.073 3.688 -1.408 + 7831TIP3 H129802 -2.009 3.746 -1.362 + 7831TIP3 H229803 -2.017 3.653 -1.481 + 7832TIP3 OH229804 -0.931 3.461 -1.198 + 7832TIP3 H129805 -1.009 3.500 -1.243 + 7832TIP3 H229806 -0.860 3.480 -1.263 + 7833TIP3 OH229807 -1.620 3.231 -1.491 + 7833TIP3 H129808 -1.646 3.137 -1.498 + 7833TIP3 H229809 -1.704 3.271 -1.458 + 7834TIP3 OH229810 -1.421 4.144 -2.018 + 7834TIP3 H129811 -1.487 4.176 -2.082 + 7834TIP3 H229812 -1.344 4.132 -2.076 + 7835TIP3 OH229813 -1.383 3.947 -2.305 + 7835TIP3 H129814 -1.309 3.979 -2.250 + 7835TIP3 H229815 -1.336 3.890 -2.367 + 7836TIP3 OH229816 -0.669 4.055 -1.196 + 7836TIP3 H129817 -0.735 4.126 -1.184 + 7836TIP3 H229818 -0.618 4.095 -1.270 + 7837TIP3 OH229819 -1.049 4.142 -1.919 + 7837TIP3 H129820 -1.117 4.162 -1.851 + 7837TIP3 H229821 -0.985 4.089 -1.867 + 7838TIP3 OH229822 -1.077 3.980 -1.026 + 7838TIP3 H129823 -1.075 4.058 -0.968 + 7838TIP3 H229824 -1.133 4.016 -1.098 + 7839TIP3 OH229825 -1.900 4.206 -1.725 + 7839TIP3 H129826 -1.920 4.179 -1.816 + 7839TIP3 H229827 -1.820 4.154 -1.706 + 7840TIP3 OH229828 -1.847 4.069 -1.384 + 7840TIP3 H129829 -1.788 4.072 -1.463 + 7840TIP3 H229830 -1.812 4.142 -1.330 + 7841TIP3 OH229831 -1.169 4.074 -2.155 + 7841TIP3 H129832 -1.112 4.101 -2.080 + 7841TIP3 H229833 -1.123 4.120 -2.230 + 7842TIP3 OH229834 -2.058 4.146 -0.998 + 7842TIP3 H129835 -2.047 4.211 -0.924 + 7842TIP3 H229836 -2.155 4.139 -1.000 + 7843TIP3 OH229837 -0.817 3.244 -2.209 + 7843TIP3 H129838 -0.908 3.253 -2.175 + 7843TIP3 H229839 -0.785 3.336 -2.205 + 7844TIP3 OH229840 -2.016 4.092 -1.970 + 7844TIP3 H129841 -2.027 4.167 -2.032 + 7844TIP3 H229842 -2.069 4.023 -2.011 + 7845TIP3 OH229843 -2.418 4.308 -1.096 + 7845TIP3 H129844 -2.412 4.293 -1.192 + 7845TIP3 H229845 -2.380 4.225 -1.060 + 7846TIP3 OH229846 -0.879 3.838 -0.793 + 7846TIP3 H129847 -0.930 3.876 -0.866 + 7846TIP3 H229848 -0.874 3.744 -0.820 + 7847TIP3 OH229849 -1.862 3.345 -1.398 + 7847TIP3 H129850 -1.939 3.342 -1.458 + 7847TIP3 H229851 -1.883 3.424 -1.347 + 7848TIP3 OH229852 -1.425 3.306 -1.038 + 7848TIP3 H129853 -1.372 3.254 -0.975 + 7848TIP3 H229854 -1.515 3.272 -1.026 + 7849TIP3 OH229855 -1.106 3.685 -0.985 + 7849TIP3 H129856 -1.170 3.671 -0.912 + 7849TIP3 H229857 -1.117 3.780 -1.004 + 7850TIP3 OH229858 -1.029 4.176 -2.361 + 7850TIP3 H129859 -1.037 4.159 -2.457 + 7850TIP3 H229860 -0.940 4.215 -2.355 + 7851TIP3 OH229861 -1.450 3.564 -2.309 + 7851TIP3 H129862 -1.497 3.556 -2.225 + 7851TIP3 H229863 -1.491 3.491 -2.359 + 7852TIP3 OH229864 -1.875 3.824 -1.259 + 7852TIP3 H129865 -1.937 3.839 -1.186 + 7852TIP3 H229866 -1.867 3.914 -1.298 + 7853TIP3 OH229867 -1.882 3.836 -1.773 + 7853TIP3 H129868 -1.976 3.825 -1.793 + 7853TIP3 H229869 -1.843 3.818 -1.862 + 7854TIP3 OH229870 -1.327 3.895 -1.894 + 7854TIP3 H129871 -1.376 3.968 -1.936 + 7854TIP3 H229872 -1.262 3.872 -1.962 + 7855TIP3 OH229873 -1.401 3.921 -0.752 + 7855TIP3 H129874 -1.452 3.843 -0.721 + 7855TIP3 H229875 -1.312 3.904 -0.716 + 7856TIP3 OH229876 -1.236 3.834 -1.622 + 7856TIP3 H129877 -1.268 3.885 -1.698 + 7856TIP3 H229878 -1.213 3.751 -1.669 + 7857TIP3 OH229879 -2.138 3.841 -1.083 + 7857TIP3 H129880 -2.115 3.879 -0.998 + 7857TIP3 H229881 -2.173 3.754 -1.057 + 7858TIP3 OH229882 -1.804 3.614 -2.422 + 7858TIP3 H129883 -1.834 3.573 -2.338 + 7858TIP3 H229884 -1.883 3.609 -2.477 + 7859TIP3 OH229885 -2.459 3.586 -1.714 + 7859TIP3 H129886 -2.397 3.590 -1.638 + 7859TIP3 H229887 -2.404 3.553 -1.786 + 7860TIP3 OH229888 -2.301 3.633 -2.142 + 7860TIP3 H129889 -2.243 3.679 -2.207 + 7860TIP3 H229890 -2.369 3.701 -2.127 + 7861TIP3 OH229891 -1.338 3.997 -1.175 + 7861TIP3 H129892 -1.285 3.931 -1.225 + 7861TIP3 H229893 -1.366 3.944 -1.098 + 7862TIP3 OH229894 -1.602 3.593 -1.670 + 7862TIP3 H129895 -1.697 3.585 -1.652 + 7862TIP3 H229896 -1.564 3.573 -1.583 + 7863TIP3 OH229897 -2.152 3.714 -1.801 + 7863TIP3 H129898 -2.228 3.742 -1.854 + 7863TIP3 H229899 -2.116 3.638 -1.851 + 7864TIP3 OH229900 -1.785 3.766 -2.027 + 7864TIP3 H129901 -1.690 3.742 -2.029 + 7864TIP3 H229902 -1.799 3.814 -2.110 + 7865TIP3 OH229903 -1.163 3.508 -1.368 + 7865TIP3 H129904 -1.229 3.510 -1.296 + 7865TIP3 H229905 -1.220 3.471 -1.439 + 7866TIP3 OH229906 -1.945 3.881 -2.259 + 7866TIP3 H129907 -1.996 3.840 -2.330 + 7866TIP3 H229908 -1.860 3.896 -2.304 + 7867TIP3 OH229909 -2.047 4.316 -0.792 + 7867TIP3 H129910 -1.990 4.365 -0.729 + 7867TIP3 H229911 -2.128 4.305 -0.737 + 7868TIP3 OH229912 -1.503 3.851 -1.486 + 7868TIP3 H129913 -1.436 3.806 -1.539 + 7868TIP3 H229914 -1.517 3.788 -1.413 + 7869TIP3 OH229915 -1.971 3.491 -1.876 + 7869TIP3 H129916 -2.017 3.408 -1.861 + 7869TIP3 H229917 -1.887 3.460 -1.915 + 7870TIP3 OH229918 -1.608 3.692 -1.263 + 7870TIP3 H129919 -1.684 3.753 -1.265 + 7870TIP3 H229920 -1.557 3.721 -1.185 + 7871TIP3 OH229921 -1.637 4.365 -2.050 + 7871TIP3 H129922 -1.674 4.300 -2.112 + 7871TIP3 H229923 -1.582 4.314 -1.989 + 7872TIP3 OH229924 -0.844 4.266 -1.208 + 7872TIP3 H129925 -0.821 4.312 -1.291 + 7872TIP3 H229926 -0.939 4.256 -1.224 + 7873TIP3 OH229927 -1.181 3.624 -2.306 + 7873TIP3 H129928 -1.279 3.613 -2.302 + 7873TIP3 H229929 -1.163 3.687 -2.234 + 7874TIP3 OH229930 -1.111 3.798 -2.089 + 7874TIP3 H129931 -1.023 3.781 -2.051 + 7874TIP3 H229932 -1.099 3.884 -2.132 + 7875TIP3 OH229933 -2.051 4.248 -1.505 + 7875TIP3 H129934 -1.991 4.240 -1.582 + 7875TIP3 H229935 -2.038 4.162 -1.462 + 7876TIP3 OH229936 -2.344 4.079 -0.970 + 7876TIP3 H129937 -2.336 4.042 -0.880 + 7876TIP3 H229938 -2.420 4.031 -1.007 + 7877TIP3 OH229939 -1.656 4.048 -0.765 + 7877TIP3 H129940 -1.690 4.028 -0.854 + 7877TIP3 H229941 -1.562 4.028 -0.776 + 7878TIP3 OH229942 -0.649 3.797 -2.119 + 7878TIP3 H129943 -0.705 3.779 -2.197 + 7878TIP3 H229944 -0.637 3.893 -2.132 + 7879TIP3 OH229945 -1.103 4.181 -1.340 + 7879TIP3 H129946 -1.195 4.182 -1.373 + 7879TIP3 H229947 -1.056 4.134 -1.411 + 7880TIP3 OH229948 -2.250 4.096 -2.315 + 7880TIP3 H129949 -2.188 4.153 -2.267 + 7880TIP3 H229950 -2.333 4.113 -2.268 + 7881TIP3 OH229951 -2.222 3.566 -1.001 + 7881TIP3 H129952 -2.312 3.590 -1.030 + 7881TIP3 H229953 -2.237 3.477 -0.964 + 7882TIP3 OH229954 -2.072 -4.387 -2.131 + 7882TIP3 H129955 -2.162 -4.352 -2.114 + 7882TIP3 H229956 -2.025 -4.305 -2.153 + 7883TIP3 OH229957 -1.324 3.550 -1.149 + 7883TIP3 H129958 -1.263 3.575 -1.078 + 7883TIP3 H229959 -1.374 3.476 -1.110 + 7884TIP3 OH229960 -1.237 3.485 -2.030 + 7884TIP3 H129961 -1.250 3.551 -2.099 + 7884TIP3 H229962 -1.229 3.540 -1.950 + 7885TIP3 OH229963 -1.521 3.691 -1.949 + 7885TIP3 H129964 -1.445 3.743 -1.921 + 7885TIP3 H229965 -1.552 3.652 -1.866 + 7886TIP3 OH229966 -1.481 3.791 -1.011 + 7886TIP3 H129967 -1.475 3.841 -0.928 + 7886TIP3 H229968 -1.431 3.711 -0.991 + 7887TIP3 OH229969 -1.405 3.395 -1.789 + 7887TIP3 H129970 -1.486 3.448 -1.780 + 7887TIP3 H229971 -1.396 3.394 -1.886 + 7888TIP3 OH229972 -1.886 3.502 -2.186 + 7888TIP3 H129973 -1.879 3.573 -2.120 + 7888TIP3 H229974 -1.813 3.443 -2.153 + 7889TIP3 OH229975 -0.855 3.583 -0.925 + 7889TIP3 H129976 -0.951 3.598 -0.939 + 7889TIP3 H229977 -0.831 3.562 -1.016 + 7890TIP3 OH229978 -1.001 3.967 -1.530 + 7890TIP3 H129979 -1.087 3.925 -1.551 + 7890TIP3 H229980 -0.957 3.898 -1.476 + 7891TIP3 OH229981 -2.236 3.799 -2.361 + 7891TIP3 H129982 -2.218 3.894 -2.344 + 7891TIP3 H229983 -2.320 3.802 -2.407 + 7892TIP3 OH229984 -2.143 3.305 -1.484 + 7892TIP3 H129985 -2.157 3.304 -1.581 + 7892TIP3 H229986 -2.176 3.218 -1.457 + 7893TIP3 OH229987 -2.292 4.306 -0.679 + 7893TIP3 H129988 -2.315 4.212 -0.678 + 7893TIP3 H229989 -2.372 4.351 -0.707 + 7894TIP3 OH229990 -1.702 4.328 -0.726 + 7894TIP3 H129991 -1.701 4.346 -0.823 + 7894TIP3 H229992 -1.666 4.238 -0.723 + 7895TIP3 OH229993 -1.099 -4.376 -0.952 + 7895TIP3 H129994 -1.020 -4.330 -0.986 + 7895TIP3 H229995 -1.168 -4.312 -0.972 + 7896TIP3 OH229996 -2.235 4.023 -0.707 + 7896TIP3 H129997 -2.156 3.966 -0.714 + 7896TIP3 H229998 -2.233 4.045 -0.612 + 7897TIP3 OH229999 -1.777 4.161 -2.199 + 7897TIP3 H130000 -1.840 4.117 -2.142 + 7897TIP3 H230001 -1.760 4.094 -2.267 + 7898TIP3 OH230002 -1.862 3.933 -0.966 + 7898TIP3 H130003 -1.918 4.011 -0.951 + 7898TIP3 H230004 -1.798 3.968 -1.032 + 7899TIP3 OH230005 -1.693 3.959 -2.372 + 7899TIP3 H130006 -1.695 3.970 -2.469 + 7899TIP3 H230007 -1.597 3.955 -2.355 + 7900TIP3 OH230008 -1.332 4.215 -0.610 + 7900TIP3 H130009 -1.246 4.197 -0.649 + 7900TIP3 H230010 -1.366 4.127 -0.591 + 7901TIP3 OH230011 -0.760 4.189 -2.451 + 7901TIP3 H130012 -0.774 4.184 -2.547 + 7901TIP3 H230013 -0.761 4.286 -2.432 + 7902TIP3 OH230014 -1.805 3.663 -0.856 + 7902TIP3 H130015 -1.798 3.598 -0.929 + 7902TIP3 H230016 -1.824 3.745 -0.905 + 7903TIP3 OH230017 -1.771 3.510 -1.112 + 7903TIP3 H130018 -1.718 3.563 -1.174 + 7903TIP3 H230019 -1.861 3.515 -1.148 + 7904TIP3 OH230020 -1.621 4.067 -1.079 + 7904TIP3 H130021 -1.537 4.055 -1.127 + 7904TIP3 H230022 -1.656 4.148 -1.120 + 7905TIP3 OH230023 -1.157 3.849 -0.593 + 7905TIP3 H130024 -1.136 3.755 -0.581 + 7905TIP3 H230025 -1.069 3.888 -0.598 + 7906TIP3 OH230026 -1.063 4.137 -0.757 + 7906TIP3 H130027 -1.086 4.209 -0.821 + 7906TIP3 H230028 -0.972 4.116 -0.787 + 7907TIP3 OH230029 -1.989 3.850 -0.675 + 7907TIP3 H130030 -2.039 3.766 -0.678 + 7907TIP3 H230031 -1.907 3.826 -0.721 + 7908TIP3 OH230032 -1.701 3.243 -1.074 + 7908TIP3 H130033 -1.715 3.339 -1.092 + 7908TIP3 H230034 -1.769 3.203 -1.131 + 7909TIP3 OH230035 -1.571 3.700 -0.698 + 7909TIP3 H130036 -1.607 3.680 -0.609 + 7909TIP3 H230037 -1.651 3.682 -0.752 + 7910TIP3 OH230038 -1.319 3.606 -0.810 + 7910TIP3 H130039 -1.407 3.612 -0.769 + 7910TIP3 H230040 -1.274 3.543 -0.752 + 7911TIP3 OH230041 -1.133 3.453 -0.637 + 7911TIP3 H130042 -1.152 3.358 -0.621 + 7911TIP3 H230043 -1.153 3.494 -0.551 + 7912TIP3 OH230044 -2.116 3.594 -0.692 + 7912TIP3 H130045 -2.125 3.526 -0.760 + 7912TIP3 H230046 -2.141 3.545 -0.611 + 7913TIP3 OH230047 -1.717 3.191 -0.794 + 7913TIP3 H130048 -1.654 3.117 -0.789 + 7913TIP3 H230049 -1.719 3.208 -0.890 + 7914TIP3 OH230050 -1.623 3.377 -0.606 + 7914TIP3 H130051 -1.653 3.319 -0.679 + 7914TIP3 H230052 -1.690 3.447 -0.606 + 7915TIP3 OH230053 -0.682 4.361 -2.012 + 7915TIP3 H130054 -0.586 4.360 -2.025 + 7915TIP3 H230055 -0.699 4.279 -1.964 + 7916TIP3 OH230056 -0.645 4.132 -1.848 + 7916TIP3 H130057 -0.723 4.088 -1.808 + 7916TIP3 H230058 -0.590 4.152 -1.770 + 7917TIP3 OH230059 -0.626 4.094 -2.195 + 7917TIP3 H130060 -0.690 4.116 -2.266 + 7917TIP3 H230061 -0.642 4.167 -2.134 + 7918TIP3 OH230062 -0.798 3.842 -2.361 + 7918TIP3 H130063 -0.781 3.906 -2.432 + 7918TIP3 H230064 -0.824 3.762 -2.411 + 7919TIP3 OH230065 -0.870 3.965 -1.772 + 7919TIP3 H130066 -0.875 3.870 -1.787 + 7919TIP3 H230067 -0.908 3.973 -1.681 + 7920TIP3 OH230068 -2.385 4.187 -1.374 + 7920TIP3 H130069 -2.375 4.203 -1.469 + 7920TIP3 H230070 -2.294 4.160 -1.349 + 7921TIP3 OH230071 -0.784 4.159 -0.856 + 7921TIP3 H130072 -0.712 4.101 -0.823 + 7921TIP3 H230073 -0.742 4.245 -0.874 + 7922TIP3 OH230074 -0.644 3.966 -0.732 + 7922TIP3 H130075 -0.725 3.913 -0.752 + 7922TIP3 H230076 -0.576 3.897 -0.730 + 7923TIP3 OH230077 -0.854 3.577 -2.444 + 7923TIP3 H130078 -0.800 3.528 -2.379 + 7923TIP3 H230079 -0.937 3.527 -2.449 + 7924TIP3 OH230080 -0.872 3.706 -1.946 + 7924TIP3 H130081 -0.849 3.611 -1.942 + 7924TIP3 H230082 -0.792 3.742 -1.988 + 7925TIP3 OH230083 -0.850 3.764 -1.403 + 7925TIP3 H130084 -0.754 3.780 -1.405 + 7925TIP3 H230085 -0.868 3.772 -1.307 + 7926TIP3 OH230086 -0.833 3.837 -1.121 + 7926TIP3 H130087 -0.920 3.874 -1.096 + 7926TIP3 H230088 -0.783 3.918 -1.144 + 7927TIP3 OH230089 -2.387 3.716 -0.752 + 7927TIP3 H130090 -2.293 3.690 -0.752 + 7927TIP3 H230091 -2.430 3.629 -0.746 + 7928TIP3 OH230092 -0.578 3.254 -0.593 + 7928TIP3 H130093 -0.537 3.184 -0.647 + 7928TIP3 H230094 -0.575 3.331 -0.652 + 7929TIP3 OH230095 -0.824 3.426 -1.949 + 7929TIP3 H130096 -0.823 3.396 -1.857 + 7929TIP3 H230097 -0.904 3.379 -1.982 + 7930TIP3 OH230098 -2.309 3.547 -1.472 + 7930TIP3 H130099 -2.261 3.462 -1.467 + 7930TIP3 H230100 -2.240 3.608 -1.440 + 7931TIP3 OH230101 -2.454 3.815 -1.367 + 7931TIP3 H130102 -2.394 3.812 -1.444 + 7931TIP3 H230103 -2.422 3.894 -1.322 + 7932TIP3 OH230104 -0.640 3.458 -0.769 + 7932TIP3 H130105 -0.727 3.500 -0.762 + 7932TIP3 H230106 -0.655 3.403 -0.848 + 7933TIP3 OH230107 -0.630 3.474 -2.280 + 7933TIP3 H130108 -0.600 3.396 -2.328 + 7933TIP3 H230109 -0.549 3.529 -2.276 + 7934TIP3 OH230110 -2.404 3.443 -1.967 + 7934TIP3 H130111 -2.499 3.454 -1.985 + 7934TIP3 H230112 -2.362 3.508 -2.028 + 7935TIP3 OH230113 -2.400 3.336 -1.149 + 7935TIP3 H130114 -2.472 3.312 -1.089 + 7935TIP3 H230115 -2.448 3.390 -1.214 + 7936TIP3 OH230116 -0.752 3.281 -0.970 + 7936TIP3 H130117 -0.833 3.303 -1.020 + 7936TIP3 H230118 -0.733 3.191 -1.003 + 7937TIP3 OH230119 -1.408 3.424 -1.505 + 7937TIP3 H130120 -1.482 3.361 -1.501 + 7937TIP3 H230121 -1.374 3.407 -1.594 + 7938TIP3 OH230122 -0.914 3.230 -1.477 + 7938TIP3 H130123 -0.842 3.279 -1.521 + 7938TIP3 H230124 -0.992 3.256 -1.530 + 7939TIP3 OH230125 -0.703 3.341 -1.683 + 7939TIP3 H130126 -0.636 3.304 -1.743 + 7939TIP3 H230127 -0.679 3.435 -1.679 + 7940TIP3 OH230128 -2.181 3.299 -1.760 + 7940TIP3 H130129 -2.262 3.287 -1.812 + 7940TIP3 H230130 -2.130 3.220 -1.784 + 7941TIP3 OH230131 -2.294 3.251 -2.181 + 7941TIP3 H130132 -2.240 3.316 -2.229 + 7941TIP3 H230133 -2.334 3.306 -2.111 + 7942TIP3 OH230134 -1.750 3.280 -1.753 + 7942TIP3 H130135 -1.689 3.310 -1.824 + 7942TIP3 H230136 -1.694 3.272 -1.676 + 7943TIP3 OH230137 -1.146 3.279 -1.630 + 7943TIP3 H130138 -1.159 3.293 -1.724 + 7943TIP3 H230139 -1.211 3.209 -1.612 + 7944TIP3 OH230140 -1.051 3.286 -2.041 + 7944TIP3 H130141 -1.129 3.347 -2.047 + 7944TIP3 H230142 -1.096 3.201 -2.030 + 7945TIP3 OH230143 -2.118 3.431 -2.331 + 7945TIP3 H130144 -2.057 3.379 -2.386 + 7945TIP3 H230145 -2.056 3.467 -2.264 + 7946TIP3 OH230146 -2.197 3.322 -0.817 + 7946TIP3 H130147 -2.235 3.242 -0.779 + 7946TIP3 H230148 -2.104 3.314 -0.789 + 7947TIP3 OH230149 -1.959 3.264 -0.641 + 7947TIP3 H130150 -1.876 3.231 -0.682 + 7947TIP3 H230151 -1.991 3.183 -0.599 + 7948TIP3 OH230152 -1.144 3.170 -0.627 + 7948TIP3 H130153 -1.143 3.135 -0.537 + 7948TIP3 H230154 -1.049 3.173 -0.650 + 7949TIP3 OH230155 0.611 4.200 -1.765 + 7949TIP3 H130156 0.584 4.291 -1.748 + 7949TIP3 H230157 0.537 4.169 -1.819 + 7950TIP3 OH230158 0.500 4.130 -1.434 + 7950TIP3 H130159 0.497 4.083 -1.348 + 7950TIP3 H230160 0.463 4.065 -1.495 + 7951TIP3 OH230161 -0.260 4.081 -1.273 + 7951TIP3 H130162 -0.264 4.008 -1.209 + 7951TIP3 H230163 -0.191 4.135 -1.234 + 7952TIP3 OH230164 -0.491 3.886 -1.880 + 7952TIP3 H130165 -0.536 3.972 -1.871 + 7952TIP3 H230166 -0.561 3.832 -1.916 + 7953TIP3 OH230167 -0.397 4.137 -1.691 + 7953TIP3 H130168 -0.399 4.056 -1.636 + 7953TIP3 H230169 -0.318 4.119 -1.744 + 7954TIP3 OH230170 1.212 3.523 -1.316 + 7954TIP3 H130171 1.234 3.582 -1.242 + 7954TIP3 H230172 1.276 3.554 -1.383 + 7955TIP3 OH230173 0.680 3.805 -1.330 + 7955TIP3 H130174 0.692 3.709 -1.322 + 7955TIP3 H230175 0.662 3.814 -1.425 + 7956TIP3 OH230176 -0.026 3.605 -1.620 + 7956TIP3 H130177 -0.015 3.691 -1.665 + 7956TIP3 H230178 -0.062 3.553 -1.694 + 7957TIP3 OH230179 -0.361 3.879 -1.568 + 7957TIP3 H130180 -0.298 3.832 -1.511 + 7957TIP3 H230181 -0.352 3.829 -1.652 + 7958TIP3 OH230182 0.185 4.017 -1.622 + 7958TIP3 H130183 0.250 3.957 -1.581 + 7958TIP3 H230184 0.127 3.955 -1.668 + 7959TIP3 OH230185 1.284 3.659 -1.066 + 7959TIP3 H130186 1.225 3.732 -1.094 + 7959TIP3 H230187 1.264 3.657 -0.971 + 7960TIP3 OH230188 -0.149 3.483 -1.204 + 7960TIP3 H130189 -0.187 3.538 -1.274 + 7960TIP3 H230190 -0.214 3.498 -1.132 + 7961TIP3 OH230191 0.124 4.266 -1.228 + 7961TIP3 H130192 0.043 4.319 -1.217 + 7961TIP3 H230193 0.189 4.338 -1.229 + 7962TIP3 OH230194 0.925 3.570 -1.615 + 7962TIP3 H130195 0.888 3.497 -1.564 + 7962TIP3 H230196 0.975 3.616 -1.546 + 7963TIP3 OH230197 -0.187 3.687 -1.408 + 7963TIP3 H130198 -0.125 3.746 -1.361 + 7963TIP3 H230199 -0.129 3.654 -1.480 + 7964TIP3 OH230200 0.953 3.462 -1.200 + 7964TIP3 H130201 0.876 3.501 -1.245 + 7964TIP3 H230202 1.025 3.480 -1.264 + 7965TIP3 OH230203 0.248 3.214 -1.508 + 7965TIP3 H130204 0.252 3.124 -1.473 + 7965TIP3 H230205 0.174 3.255 -1.458 + 7966TIP3 OH230206 0.480 4.134 -2.024 + 7966TIP3 H130207 0.414 4.197 -2.059 + 7966TIP3 H230208 0.542 4.131 -2.098 + 7967TIP3 OH230209 0.506 3.942 -2.299 + 7967TIP3 H130210 0.585 3.969 -2.248 + 7967TIP3 H230211 0.548 3.899 -2.375 + 7968TIP3 OH230212 1.216 4.054 -1.197 + 7968TIP3 H130213 1.151 4.126 -1.182 + 7968TIP3 H230214 1.268 4.095 -1.269 + 7969TIP3 OH230215 0.828 4.137 -1.924 + 7969TIP3 H130216 0.764 4.168 -1.856 + 7969TIP3 H230217 0.895 4.094 -1.870 + 7970TIP3 OH230218 0.808 3.980 -1.026 + 7970TIP3 H130219 0.812 4.056 -0.965 + 7970TIP3 H230220 0.754 4.021 -1.097 + 7971TIP3 OH230221 -0.020 4.199 -1.723 + 7971TIP3 H130222 -0.034 4.178 -1.817 + 7971TIP3 H230223 0.066 4.157 -1.707 + 7972TIP3 OH230224 0.044 4.066 -1.386 + 7972TIP3 H130225 0.100 4.077 -1.465 + 7972TIP3 H230226 0.072 4.141 -1.330 + 7973TIP3 OH230227 0.738 4.013 -2.148 + 7973TIP3 H130228 0.780 4.063 -2.074 + 7973TIP3 H230229 0.778 4.063 -2.223 + 7974TIP3 OH230230 -0.174 4.147 -0.999 + 7974TIP3 H130231 -0.161 4.210 -0.925 + 7974TIP3 H230232 -0.271 4.141 -1.001 + 7975TIP3 OH230233 1.067 3.247 -2.210 + 7975TIP3 H130234 0.980 3.259 -2.168 + 7975TIP3 H230235 1.103 3.338 -2.214 + 7976TIP3 OH230236 -0.124 4.088 -1.976 + 7976TIP3 H130237 -0.141 4.167 -2.031 + 7976TIP3 H230238 -0.188 4.024 -2.009 + 7977TIP3 OH230239 -0.517 4.310 -1.097 + 7977TIP3 H130240 -0.529 4.290 -1.191 + 7977TIP3 H230241 -0.494 4.222 -1.060 + 7978TIP3 OH230242 1.007 3.837 -0.792 + 7978TIP3 H130243 0.957 3.876 -0.865 + 7978TIP3 H230244 1.013 3.744 -0.820 + 7979TIP3 OH230245 0.023 3.346 -1.400 + 7979TIP3 H130246 -0.057 3.346 -1.455 + 7979TIP3 H230247 0.006 3.424 -1.345 + 7980TIP3 OH230248 0.461 3.303 -1.041 + 7980TIP3 H130249 0.514 3.255 -0.975 + 7980TIP3 H230250 0.371 3.272 -1.025 + 7981TIP3 OH230251 0.775 3.685 -0.989 + 7981TIP3 H130252 0.717 3.670 -0.913 + 7981TIP3 H230253 0.769 3.782 -1.003 + 7982TIP3 OH230254 0.850 4.162 -2.347 + 7982TIP3 H130255 0.840 4.157 -2.444 + 7982TIP3 H230256 0.934 4.211 -2.340 + 7983TIP3 OH230257 0.467 3.549 -2.311 + 7983TIP3 H130258 0.405 3.551 -2.237 + 7983TIP3 H230259 0.417 3.493 -2.373 + 7984TIP3 OH230260 0.010 3.823 -1.259 + 7984TIP3 H130261 -0.050 3.838 -1.184 + 7984TIP3 H230262 0.019 3.914 -1.297 + 7985TIP3 OH230263 0.004 3.833 -1.775 + 7985TIP3 H130264 -0.092 3.828 -1.790 + 7985TIP3 H230265 0.037 3.817 -1.865 + 7986TIP3 OH230266 0.605 3.877 -1.926 + 7986TIP3 H130267 0.544 3.953 -1.926 + 7986TIP3 H230268 0.651 3.898 -2.009 + 7987TIP3 OH230269 0.484 3.920 -0.755 + 7987TIP3 H130270 0.434 3.843 -0.721 + 7987TIP3 H230271 0.573 3.905 -0.716 + 7988TIP3 OH230272 0.656 3.808 -1.632 + 7988TIP3 H130273 0.631 3.867 -1.705 + 7988TIP3 H230274 0.662 3.723 -1.676 + 7989TIP3 OH230275 -0.250 3.839 -1.084 + 7989TIP3 H130276 -0.233 3.881 -0.998 + 7989TIP3 H230277 -0.288 3.754 -1.057 + 7990TIP3 OH230278 0.088 3.600 -2.420 + 7990TIP3 H130279 0.047 3.565 -2.339 + 7990TIP3 H230280 0.010 3.620 -2.474 + 7991TIP3 OH230281 -0.571 3.596 -1.716 + 7991TIP3 H130282 -0.511 3.588 -1.639 + 7991TIP3 H230283 -0.523 3.552 -1.788 + 7992TIP3 OH230284 -0.410 3.635 -2.143 + 7992TIP3 H130285 -0.359 3.683 -2.210 + 7992TIP3 H230286 -0.482 3.698 -2.126 + 7993TIP3 OH230287 0.543 3.996 -1.178 + 7993TIP3 H130288 0.602 3.932 -1.224 + 7993TIP3 H230289 0.521 3.947 -1.097 + 7994TIP3 OH230290 0.283 3.594 -1.669 + 7994TIP3 H130291 0.187 3.593 -1.652 + 7994TIP3 H230292 0.318 3.574 -1.581 + 7995TIP3 OH230293 -0.263 3.717 -1.804 + 7995TIP3 H130294 -0.345 3.745 -1.850 + 7995TIP3 H230295 -0.236 3.638 -1.853 + 7996TIP3 OH230296 0.100 3.747 -2.039 + 7996TIP3 H130297 0.196 3.761 -2.032 + 7996TIP3 H230298 0.073 3.809 -2.110 + 7997TIP3 OH230299 0.715 3.508 -1.371 + 7997TIP3 H130300 0.656 3.509 -1.293 + 7997TIP3 H230301 0.655 3.471 -1.437 + 7998TIP3 OH230302 -0.053 3.875 -2.257 + 7998TIP3 H130303 -0.111 3.847 -2.330 + 7998TIP3 H230304 0.028 3.897 -2.307 + 7999TIP3 OH230305 -0.160 4.316 -0.793 + 7999TIP3 H130306 -0.105 4.365 -0.729 + 7999TIP3 H230307 -0.242 4.304 -0.739 + 8000TIP3 OH230308 0.392 3.847 -1.493 + 8000TIP3 H130309 0.461 3.794 -1.534 + 8000TIP3 H230310 0.371 3.794 -1.413 + 8001TIP3 OH230311 -0.096 3.483 -1.867 + 8001TIP3 H130312 -0.145 3.400 -1.854 + 8001TIP3 H230313 -0.017 3.452 -1.914 + 8002TIP3 OH230314 0.282 3.699 -1.270 + 8002TIP3 H130315 0.202 3.755 -1.264 + 8002TIP3 H230316 0.331 3.722 -1.189 + 8003TIP3 OH230317 0.290 4.334 -2.067 + 8003TIP3 H130318 0.216 4.291 -2.114 + 8003TIP3 H230319 0.267 4.325 -1.974 + 8004TIP3 OH230320 1.041 4.265 -1.207 + 8004TIP3 H130321 1.067 4.312 -1.288 + 8004TIP3 H230322 0.946 4.256 -1.225 + 8005TIP3 OH230323 0.711 3.656 -2.215 + 8005TIP3 H130324 0.629 3.637 -2.266 + 8005TIP3 H230325 0.730 3.747 -2.244 + 8006TIP3 OH230326 -0.164 4.251 -1.502 + 8006TIP3 H130327 -0.106 4.239 -1.581 + 8006TIP3 H230328 -0.157 4.163 -1.461 + 8007TIP3 OH230329 -0.461 4.077 -0.971 + 8007TIP3 H130330 -0.452 4.043 -0.880 + 8007TIP3 H230331 -0.538 4.030 -1.006 + 8008TIP3 OH230332 0.229 4.048 -0.765 + 8008TIP3 H130333 0.195 4.027 -0.854 + 8008TIP3 H230334 0.324 4.028 -0.776 + 8009TIP3 OH230335 1.233 3.793 -2.111 + 8009TIP3 H130336 1.176 3.771 -2.187 + 8009TIP3 H230337 1.240 3.889 -2.126 + 8010TIP3 OH230338 0.782 4.173 -1.339 + 8010TIP3 H130339 0.692 4.180 -1.374 + 8010TIP3 H230340 0.832 4.140 -1.415 + 8011TIP3 OH230341 -0.363 4.094 -2.313 + 8011TIP3 H130342 -0.305 4.155 -2.266 + 8011TIP3 H230343 -0.449 4.110 -2.269 + 8012TIP3 OH230344 -0.336 3.563 -1.005 + 8012TIP3 H130345 -0.427 3.590 -1.029 + 8012TIP3 H230346 -0.351 3.477 -0.961 + 8013TIP3 OH230347 -0.185 -4.387 -2.128 + 8013TIP3 H130348 -0.276 -4.353 -2.115 + 8013TIP3 H230349 -0.140 -4.305 -2.154 + 8014TIP3 OH230350 0.561 3.547 -1.151 + 8014TIP3 H130351 0.621 3.579 -1.081 + 8014TIP3 H230352 0.513 3.475 -1.107 + 8015TIP3 OH230353 0.628 3.525 -1.985 + 8015TIP3 H130354 0.643 3.564 -2.074 + 8015TIP3 H230355 0.716 3.519 -1.949 + 8016TIP3 OH230356 0.363 3.698 -1.929 + 8016TIP3 H130357 0.447 3.746 -1.921 + 8016TIP3 H230358 0.337 3.682 -1.837 + 8017TIP3 OH230359 0.406 3.789 -1.012 + 8017TIP3 H130360 0.408 3.841 -0.929 + 8017TIP3 H230361 0.456 3.710 -0.986 + 8018TIP3 OH230362 0.424 3.393 -1.834 + 8018TIP3 H130363 0.395 3.460 -1.770 + 8018TIP3 H230364 0.495 3.441 -1.881 + 8019TIP3 OH230365 -0.003 3.493 -2.180 + 8019TIP3 H130366 0.000 3.572 -2.124 + 8019TIP3 H230367 0.080 3.448 -2.155 + 8020TIP3 OH230368 1.030 3.585 -0.925 + 8020TIP3 H130369 0.934 3.596 -0.940 + 8020TIP3 H230370 1.056 3.562 -1.015 + 8021TIP3 OH230371 0.891 3.963 -1.551 + 8021TIP3 H130372 0.803 3.921 -1.553 + 8021TIP3 H230373 0.937 3.907 -1.486 + 8022TIP3 OH230374 -0.350 3.800 -2.361 + 8022TIP3 H130375 -0.336 3.895 -2.344 + 8022TIP3 H230376 -0.433 3.800 -2.409 + 8023TIP3 OH230377 -0.254 3.299 -1.490 + 8023TIP3 H130378 -0.271 3.296 -1.586 + 8023TIP3 H230379 -0.292 3.215 -1.459 + 8024TIP3 OH230380 -0.404 4.307 -0.680 + 8024TIP3 H130381 -0.430 4.213 -0.675 + 8024TIP3 H230382 -0.485 4.353 -0.703 + 8025TIP3 OH230383 0.183 4.329 -0.726 + 8025TIP3 H130384 0.185 4.346 -0.823 + 8025TIP3 H230385 0.220 4.239 -0.721 + 8026TIP3 OH230386 0.787 -4.377 -0.953 + 8026TIP3 H130387 0.866 -4.330 -0.985 + 8026TIP3 H230388 0.718 -4.312 -0.972 + 8027TIP3 OH230389 -0.349 4.023 -0.708 + 8027TIP3 H130390 -0.271 3.966 -0.714 + 8027TIP3 H230391 -0.347 4.046 -0.613 + 8028TIP3 OH230392 0.108 4.160 -2.190 + 8028TIP3 H130393 0.039 4.114 -2.140 + 8028TIP3 H230394 0.126 4.099 -2.263 + 8029TIP3 OH230395 0.025 3.932 -0.968 + 8029TIP3 H130396 -0.033 4.008 -0.950 + 8029TIP3 H230397 0.088 3.971 -1.032 + 8030TIP3 OH230398 0.192 3.956 -2.374 + 8030TIP3 H130399 0.190 3.971 -2.470 + 8030TIP3 H230400 0.288 3.962 -2.356 + 8031TIP3 OH230401 0.552 4.215 -0.617 + 8031TIP3 H130402 0.641 4.196 -0.648 + 8031TIP3 H230403 0.520 4.130 -0.587 + 8032TIP3 OH230404 1.113 4.188 -2.451 + 8032TIP3 H130405 1.115 4.183 -2.547 + 8032TIP3 H230406 1.120 4.284 -2.432 + 8033TIP3 OH230407 0.081 3.664 -0.856 + 8033TIP3 H130408 0.088 3.598 -0.928 + 8033TIP3 H230409 0.060 3.745 -0.905 + 8034TIP3 OH230410 0.115 3.509 -1.115 + 8034TIP3 H130411 0.165 3.566 -1.176 + 8034TIP3 H230412 0.023 3.517 -1.147 + 8035TIP3 OH230413 0.264 4.065 -1.081 + 8035TIP3 H130414 0.349 4.056 -1.127 + 8035TIP3 H230415 0.230 4.148 -1.119 + 8036TIP3 OH230416 0.728 3.849 -0.593 + 8036TIP3 H130417 0.750 3.755 -0.580 + 8036TIP3 H230418 0.817 3.888 -0.598 + 8037TIP3 OH230419 0.824 4.136 -0.759 + 8037TIP3 H130420 0.800 4.208 -0.821 + 8037TIP3 H230421 0.915 4.119 -0.787 + 8038TIP3 OH230422 -0.104 3.851 -0.677 + 8038TIP3 H130423 -0.154 3.767 -0.678 + 8038TIP3 H230424 -0.021 3.825 -0.720 + 8039TIP3 OH230425 0.186 3.244 -1.077 + 8039TIP3 H130426 0.170 3.339 -1.093 + 8039TIP3 H230427 0.115 3.203 -1.128 + 8040TIP3 OH230428 0.314 3.700 -0.698 + 8040TIP3 H130429 0.280 3.681 -0.609 + 8040TIP3 H230430 0.234 3.681 -0.751 + 8041TIP3 OH230431 0.565 3.605 -0.812 + 8041TIP3 H130432 0.478 3.612 -0.768 + 8041TIP3 H230433 0.612 3.543 -0.752 + 8042TIP3 OH230434 0.751 3.454 -0.638 + 8042TIP3 H130435 0.736 3.359 -0.623 + 8042TIP3 H230436 0.733 3.494 -0.551 + 8043TIP3 OH230437 -0.232 3.594 -0.693 + 8043TIP3 H130438 -0.240 3.524 -0.759 + 8043TIP3 H230439 -0.254 3.546 -0.611 + 8044TIP3 OH230440 0.170 3.191 -0.794 + 8044TIP3 H130441 0.230 3.115 -0.788 + 8044TIP3 H230442 0.170 3.207 -0.890 + 8045TIP3 OH230443 0.265 3.379 -0.609 + 8045TIP3 H130444 0.233 3.319 -0.680 + 8045TIP3 H230445 0.196 3.447 -0.606 + 8046TIP3 OH230446 1.204 4.360 -2.004 + 8046TIP3 H130447 1.298 4.360 -2.028 + 8046TIP3 H230448 1.188 4.273 -1.965 + 8047TIP3 OH230449 1.232 4.124 -1.843 + 8047TIP3 H130450 1.166 4.076 -1.791 + 8047TIP3 H230451 1.296 4.152 -1.775 + 8048TIP3 OH230452 1.257 4.094 -2.193 + 8048TIP3 H130453 1.193 4.113 -2.264 + 8048TIP3 H230454 1.246 4.172 -2.137 + 8049TIP3 OH230455 1.088 3.842 -2.362 + 8049TIP3 H130456 1.105 3.907 -2.431 + 8049TIP3 H230457 1.063 3.763 -2.414 + 8050TIP3 OH230458 0.995 3.879 -1.790 + 8050TIP3 H130459 1.048 3.825 -1.730 + 8050TIP3 H230460 0.966 3.948 -1.727 + 8051TIP3 OH230461 -0.500 4.186 -1.375 + 8051TIP3 H130462 -0.490 4.203 -1.470 + 8051TIP3 H230463 -0.409 4.162 -1.349 + 8052TIP3 OH230464 1.100 4.160 -0.852 + 8052TIP3 H130465 1.173 4.101 -0.823 + 8052TIP3 H230466 1.143 4.244 -0.876 + 8053TIP3 OH230467 1.242 3.965 -0.734 + 8053TIP3 H130468 1.161 3.912 -0.751 + 8053TIP3 H230469 1.311 3.896 -0.730 + 8054TIP3 OH230470 1.028 3.578 -2.442 + 8054TIP3 H130471 1.087 3.526 -2.386 + 8054TIP3 H230472 0.949 3.522 -2.453 + 8055TIP3 OH230473 1.035 3.766 -1.411 + 8055TIP3 H130474 1.133 3.777 -1.405 + 8055TIP3 H230475 1.014 3.768 -1.316 + 8056TIP3 OH230476 1.051 3.837 -1.123 + 8056TIP3 H130477 0.965 3.875 -1.097 + 8056TIP3 H230478 1.102 3.917 -1.146 + 8057TIP3 OH230479 -0.501 3.716 -0.754 + 8057TIP3 H130480 -0.407 3.690 -0.750 + 8057TIP3 H230481 -0.545 3.630 -0.746 + 8058TIP3 OH230482 1.307 3.253 -0.592 + 8058TIP3 H130483 1.349 3.183 -0.646 + 8058TIP3 H230484 1.310 3.330 -0.652 + 8059TIP3 OH230485 1.017 3.493 -1.931 + 8059TIP3 H130486 1.065 3.450 -1.857 + 8059TIP3 H230487 0.981 3.415 -1.977 + 8060TIP3 OH230488 -0.421 3.547 -1.477 + 8060TIP3 H130489 -0.376 3.462 -1.464 + 8060TIP3 H230490 -0.356 3.609 -1.439 + 8061TIP3 OH230491 -0.566 3.813 -1.366 + 8061TIP3 H130492 -0.511 3.814 -1.446 + 8061TIP3 H230493 -0.537 3.894 -1.321 + 8062TIP3 OH230494 1.246 3.458 -0.768 + 8062TIP3 H130495 1.158 3.500 -0.762 + 8062TIP3 H230496 1.233 3.402 -0.847 + 8063TIP3 OH230497 1.253 3.473 -2.282 + 8063TIP3 H130498 1.286 3.395 -2.329 + 8063TIP3 H230499 1.333 3.527 -2.274 + 8064TIP3 OH230500 -0.518 3.451 -1.961 + 8064TIP3 H130501 -0.613 3.452 -1.982 + 8064TIP3 H230502 -0.479 3.509 -2.028 + 8065TIP3 OH230503 -0.517 3.331 -1.155 + 8065TIP3 H130504 -0.585 3.312 -1.088 + 8065TIP3 H230505 -0.565 3.391 -1.214 + 8066TIP3 OH230506 1.133 3.280 -0.970 + 8066TIP3 H130507 1.051 3.299 -1.020 + 8066TIP3 H230508 1.154 3.190 -1.002 + 8067TIP3 OH230509 0.470 3.420 -1.521 + 8067TIP3 H130510 0.398 3.355 -1.515 + 8067TIP3 H230511 0.531 3.376 -1.582 + 8068TIP3 OH230512 0.970 3.239 -1.477 + 8068TIP3 H130513 1.046 3.281 -1.520 + 8068TIP3 H230514 0.896 3.263 -1.534 + 8069TIP3 OH230515 1.167 3.353 -1.706 + 8069TIP3 H130516 1.240 3.300 -1.743 + 8069TIP3 H230517 1.213 3.437 -1.686 + 8070TIP3 OH230518 -0.271 3.261 -1.774 + 8070TIP3 H130519 -0.359 3.260 -1.817 + 8070TIP3 H230520 -0.246 3.169 -1.781 + 8071TIP3 OH230521 -0.405 3.248 -2.178 + 8071TIP3 H130522 -0.358 3.315 -2.231 + 8071TIP3 H230523 -0.452 3.304 -2.113 + 8072TIP3 OH230524 0.151 3.280 -1.783 + 8072TIP3 H130525 0.244 3.299 -1.801 + 8072TIP3 H230526 0.155 3.253 -1.691 + 8073TIP3 OH230527 0.712 3.289 -1.646 + 8073TIP3 H130528 0.746 3.262 -1.732 + 8073TIP3 H230529 0.678 3.204 -1.612 + 8074TIP3 OH230530 0.827 3.295 -2.040 + 8074TIP3 H130531 0.741 3.326 -2.072 + 8074TIP3 H230532 0.805 3.202 -2.019 + 8075TIP3 OH230533 -0.239 3.430 -2.335 + 8075TIP3 H130534 -0.176 3.378 -2.388 + 8075TIP3 H230535 -0.180 3.465 -2.265 + 8076TIP3 OH230536 0.276 3.450 -2.078 + 8076TIP3 H130537 0.304 3.394 -2.004 + 8076TIP3 H230538 0.288 3.538 -2.040 + 8077TIP3 OH230539 -0.310 3.323 -0.818 + 8077TIP3 H130540 -0.351 3.243 -0.780 + 8077TIP3 H230541 -0.219 3.312 -0.785 + 8078TIP3 OH230542 -0.074 3.263 -0.643 + 8078TIP3 H130543 0.009 3.227 -0.681 + 8078TIP3 H230544 -0.108 3.185 -0.597 + 8079TIP3 OH230545 0.740 3.174 -0.625 + 8079TIP3 H130546 0.743 3.132 -0.536 + 8079TIP3 H230547 0.834 3.171 -0.650 + 8080TIP3 OH230548 2.501 4.207 -1.765 + 8080TIP3 H130549 2.464 4.295 -1.759 + 8080TIP3 H230550 2.426 4.159 -1.803 + 8081TIP3 OH230551 2.382 4.130 -1.433 + 8081TIP3 H130552 2.382 4.081 -1.350 + 8081TIP3 H230553 2.352 4.064 -1.496 + 8082TIP3 OH230554 1.625 4.082 -1.270 + 8082TIP3 H130555 1.620 4.006 -1.209 + 8082TIP3 H230556 1.696 4.134 -1.230 + 8083TIP3 OH230557 1.389 3.879 -1.878 + 8083TIP3 H130558 1.354 3.970 -1.874 + 8083TIP3 H230559 1.321 3.834 -1.929 + 8084TIP3 OH230560 1.479 4.132 -1.700 + 8084TIP3 H130561 1.483 4.057 -1.637 + 8084TIP3 H230562 1.566 4.125 -1.740 + 8085TIP3 OH230563 3.094 3.528 -1.318 + 8085TIP3 H130564 3.121 3.580 -1.240 + 8085TIP3 H230565 3.161 3.555 -1.383 + 8086TIP3 OH230566 2.562 3.806 -1.327 + 8086TIP3 H130567 2.576 3.710 -1.320 + 8086TIP3 H230568 2.552 3.816 -1.423 + 8087TIP3 OH230569 1.858 3.606 -1.618 + 8087TIP3 H130570 1.872 3.691 -1.664 + 8087TIP3 H230571 1.823 3.553 -1.693 + 8088TIP3 OH230572 2.643 3.621 -1.789 + 8088TIP3 H130573 2.699 3.579 -1.720 + 8088TIP3 H230574 2.709 3.672 -1.838 + 8089TIP3 OH230575 1.523 3.875 -1.567 + 8089TIP3 H130576 1.589 3.832 -1.510 + 8089TIP3 H230577 1.537 3.828 -1.651 + 8090TIP3 OH230578 2.068 4.018 -1.620 + 8090TIP3 H130579 2.135 3.959 -1.580 + 8090TIP3 H230580 2.013 3.954 -1.668 + 8091TIP3 OH230581 3.169 3.661 -1.066 + 8091TIP3 H130582 3.106 3.731 -1.091 + 8091TIP3 H230583 3.158 3.659 -0.970 + 8092TIP3 OH230584 1.737 3.484 -1.204 + 8092TIP3 H130585 1.697 3.536 -1.275 + 8092TIP3 H230586 1.672 3.498 -1.132 + 8093TIP3 OH230587 2.010 4.266 -1.227 + 8093TIP3 H130588 1.929 4.318 -1.215 + 8093TIP3 H230589 2.075 4.338 -1.229 + 8094TIP3 OH230590 2.826 3.547 -1.584 + 8094TIP3 H130591 2.788 3.486 -1.520 + 8094TIP3 H230592 2.876 3.607 -1.526 + 8095TIP3 OH230593 1.697 3.690 -1.410 + 8095TIP3 H130594 1.761 3.746 -1.361 + 8095TIP3 H230595 1.756 3.653 -1.479 + 8096TIP3 OH230596 2.839 3.463 -1.200 + 8096TIP3 H130597 2.762 3.501 -1.245 + 8096TIP3 H230598 2.911 3.481 -1.262 + 8097TIP3 OH230599 2.151 3.234 -1.496 + 8097TIP3 H130600 2.130 3.139 -1.499 + 8097TIP3 H230601 2.069 3.271 -1.457 + 8098TIP3 OH230602 2.348 4.144 -2.021 + 8098TIP3 H130603 2.283 4.180 -2.083 + 8098TIP3 H230604 2.425 4.134 -2.079 + 8099TIP3 OH230605 2.389 3.942 -2.301 + 8099TIP3 H130606 2.464 3.979 -2.249 + 8099TIP3 H230607 2.437 3.892 -2.368 + 8100TIP3 OH230608 3.104 4.057 -1.198 + 8100TIP3 H130609 3.036 4.127 -1.184 + 8100TIP3 H230610 3.152 4.096 -1.273 + 8101TIP3 OH230611 2.724 4.140 -1.917 + 8101TIP3 H130612 2.655 4.162 -1.851 + 8101TIP3 H230613 2.786 4.087 -1.865 + 8102TIP3 OH230614 2.694 3.981 -1.027 + 8102TIP3 H130615 2.696 4.056 -0.966 + 8102TIP3 H230616 2.637 4.018 -1.096 + 8103TIP3 OH230617 1.876 4.208 -1.725 + 8103TIP3 H130618 1.855 4.181 -1.816 + 8103TIP3 H230619 1.954 4.153 -1.705 + 8104TIP3 OH230620 1.922 4.073 -1.389 + 8104TIP3 H130621 1.984 4.075 -1.464 + 8104TIP3 H230622 1.958 4.143 -1.331 + 8105TIP3 OH230623 2.604 4.073 -2.155 + 8105TIP3 H130624 2.660 4.101 -2.079 + 8105TIP3 H230625 2.649 4.122 -2.229 + 8106TIP3 OH230626 1.712 4.148 -1.000 + 8106TIP3 H130627 1.724 4.211 -0.925 + 8106TIP3 H230628 1.615 4.139 -0.999 + 8107TIP3 OH230629 2.952 3.247 -2.212 + 8107TIP3 H130630 2.864 3.256 -2.171 + 8107TIP3 H230631 2.986 3.338 -2.206 + 8108TIP3 OH230632 1.761 4.089 -1.974 + 8108TIP3 H130633 1.745 4.167 -2.031 + 8108TIP3 H230634 1.699 4.024 -2.011 + 8109TIP3 OH230635 1.356 4.308 -1.096 + 8109TIP3 H130636 1.359 4.292 -1.191 + 8109TIP3 H230637 1.391 4.224 -1.060 + 8110TIP3 OH230638 2.891 3.837 -0.793 + 8110TIP3 H130639 2.843 3.874 -0.868 + 8110TIP3 H230640 2.899 3.743 -0.819 + 8111TIP3 OH230641 1.910 3.349 -1.403 + 8111TIP3 H130642 1.827 3.342 -1.454 + 8111TIP3 H230643 1.887 3.421 -1.343 + 8112TIP3 OH230644 2.346 3.306 -1.039 + 8112TIP3 H130645 2.400 3.254 -0.976 + 8112TIP3 H230646 2.256 3.271 -1.026 + 8113TIP3 OH230647 2.660 3.685 -0.989 + 8113TIP3 H130648 2.602 3.670 -0.913 + 8113TIP3 H230649 2.655 3.782 -1.003 + 8114TIP3 OH230650 2.746 4.182 -2.358 + 8114TIP3 H130651 2.724 4.162 -2.451 + 8114TIP3 H230652 2.842 4.199 -2.368 + 8115TIP3 OH230653 2.328 3.557 -2.312 + 8115TIP3 H130654 2.277 3.544 -2.230 + 8115TIP3 H230655 2.286 3.490 -2.369 + 8116TIP3 OH230656 1.894 3.825 -1.261 + 8116TIP3 H130657 1.836 3.838 -1.184 + 8116TIP3 H230658 1.902 3.916 -1.297 + 8117TIP3 OH230659 1.890 3.835 -1.775 + 8117TIP3 H130660 1.794 3.827 -1.791 + 8117TIP3 H230661 1.924 3.815 -1.864 + 8118TIP3 OH230662 2.453 3.901 -1.893 + 8118TIP3 H130663 2.404 3.974 -1.934 + 8118TIP3 H230664 2.516 3.878 -1.963 + 8119TIP3 OH230665 2.369 3.921 -0.753 + 8119TIP3 H130666 2.320 3.843 -0.721 + 8119TIP3 H230667 2.458 3.905 -0.716 + 8120TIP3 OH230668 2.533 3.831 -1.620 + 8120TIP3 H130669 2.505 3.884 -1.697 + 8120TIP3 H230670 2.557 3.748 -1.666 + 8121TIP3 OH230671 1.634 3.840 -1.084 + 8121TIP3 H130672 1.655 3.879 -0.998 + 8121TIP3 H230673 1.598 3.753 -1.058 + 8122TIP3 OH230674 1.971 3.603 -2.422 + 8122TIP3 H130675 1.935 3.567 -2.339 + 8122TIP3 H230676 1.892 3.616 -2.475 + 8123TIP3 OH230677 1.311 3.589 -1.712 + 8123TIP3 H130678 1.373 3.591 -1.637 + 8123TIP3 H230679 1.366 3.555 -1.784 + 8124TIP3 OH230680 1.470 3.634 -2.139 + 8124TIP3 H130681 1.525 3.681 -2.206 + 8124TIP3 H230682 1.399 3.699 -2.125 + 8125TIP3 OH230683 2.432 3.997 -1.176 + 8125TIP3 H130684 2.486 3.930 -1.224 + 8125TIP3 H230685 2.405 3.945 -1.098 + 8126TIP3 OH230686 2.166 3.595 -1.671 + 8126TIP3 H130687 2.072 3.590 -1.648 + 8126TIP3 H230688 2.209 3.575 -1.586 + 8127TIP3 OH230689 1.620 3.716 -1.803 + 8127TIP3 H130690 1.542 3.744 -1.853 + 8127TIP3 H230691 1.653 3.638 -1.852 + 8128TIP3 OH230692 1.986 3.751 -2.036 + 8128TIP3 H130693 2.083 3.758 -2.031 + 8128TIP3 H230694 1.962 3.810 -2.109 + 8129TIP3 OH230695 2.604 3.509 -1.370 + 8129TIP3 H130696 2.542 3.509 -1.295 + 8129TIP3 H230697 2.546 3.474 -1.440 + 8130TIP3 OH230698 1.830 3.877 -2.258 + 8130TIP3 H130699 1.774 3.844 -2.330 + 8130TIP3 H230700 1.912 3.897 -2.306 + 8131TIP3 OH230701 1.726 4.316 -0.793 + 8131TIP3 H130702 1.780 4.365 -0.728 + 8131TIP3 H230703 1.644 4.304 -0.740 + 8132TIP3 OH230704 2.266 3.850 -1.489 + 8132TIP3 H130705 2.342 3.808 -1.533 + 8132TIP3 H230706 2.251 3.791 -1.413 + 8133TIP3 OH230707 1.797 3.490 -1.873 + 8133TIP3 H130708 1.743 3.411 -1.857 + 8133TIP3 H230709 1.878 3.453 -1.909 + 8134TIP3 OH230710 2.165 3.695 -1.266 + 8134TIP3 H130711 2.087 3.753 -1.262 + 8134TIP3 H230712 2.216 3.720 -1.186 + 8135TIP3 OH230713 2.136 4.366 -2.052 + 8135TIP3 H130714 2.095 4.300 -2.112 + 8135TIP3 H230715 2.185 4.313 -1.988 + 8136TIP3 OH230716 2.928 4.267 -1.208 + 8136TIP3 H130717 2.950 4.311 -1.292 + 8136TIP3 H230718 2.832 4.255 -1.223 + 8137TIP3 OH230719 2.595 3.618 -2.299 + 8137TIP3 H130720 2.497 3.613 -2.302 + 8137TIP3 H230721 2.612 3.689 -2.234 + 8138TIP3 OH230722 2.665 3.797 -2.090 + 8138TIP3 H130723 2.753 3.782 -2.050 + 8138TIP3 H230724 2.675 3.883 -2.133 + 8139TIP3 OH230725 1.706 4.236 -1.516 + 8139TIP3 H130726 1.777 4.235 -1.584 + 8139TIP3 H230727 1.733 4.162 -1.459 + 8140TIP3 OH230728 1.428 4.078 -0.971 + 8140TIP3 H130729 1.436 4.043 -0.880 + 8140TIP3 H230730 1.350 4.030 -1.006 + 8141TIP3 OH230731 2.115 4.050 -0.766 + 8141TIP3 H130732 2.082 4.027 -0.855 + 8141TIP3 H230733 2.209 4.027 -0.775 + 8142TIP3 OH230734 3.120 3.794 -2.120 + 8142TIP3 H130735 3.066 3.777 -2.200 + 8142TIP3 H230736 3.136 3.889 -2.130 + 8143TIP3 OH230737 2.670 4.180 -1.345 + 8143TIP3 H130738 2.577 4.177 -1.374 + 8143TIP3 H230739 2.716 4.130 -1.414 + 8144TIP3 OH230740 1.523 4.094 -2.313 + 8144TIP3 H130741 1.582 4.155 -2.267 + 8144TIP3 H230742 1.438 4.112 -2.269 + 8145TIP3 OH230743 1.550 3.565 -1.004 + 8145TIP3 H130744 1.459 3.589 -1.030 + 8145TIP3 H230745 1.536 3.478 -0.963 + 8146TIP3 OH230746 1.699 -4.387 -2.130 + 8146TIP3 H130747 1.609 -4.352 -2.114 + 8146TIP3 H230748 1.745 -4.305 -2.154 + 8147TIP3 OH230749 2.446 3.549 -1.150 + 8147TIP3 H130750 2.509 3.577 -1.081 + 8147TIP3 H230751 2.399 3.475 -1.107 + 8148TIP3 OH230752 2.510 3.492 -2.023 + 8148TIP3 H130753 2.529 3.545 -2.102 + 8148TIP3 H230754 2.557 3.542 -1.954 + 8149TIP3 OH230755 2.252 3.694 -1.929 + 8149TIP3 H130756 2.330 3.751 -1.912 + 8149TIP3 H230757 2.222 3.674 -1.838 + 8150TIP3 OH230758 2.293 3.792 -1.012 + 8150TIP3 H130759 2.297 3.840 -0.927 + 8150TIP3 H230760 2.340 3.710 -0.990 + 8151TIP3 OH230761 2.309 3.394 -1.836 + 8151TIP3 H130762 2.292 3.461 -1.768 + 8151TIP3 H230763 2.383 3.434 -1.885 + 8152TIP3 OH230764 1.883 3.495 -2.183 + 8152TIP3 H130765 1.886 3.570 -2.122 + 8152TIP3 H230766 1.964 3.446 -2.156 + 8153TIP3 OH230767 2.915 3.585 -0.923 + 8153TIP3 H130768 2.819 3.596 -0.941 + 8153TIP3 H230769 2.944 3.560 -1.012 + 8154TIP3 OH230770 2.777 3.967 -1.547 + 8154TIP3 H130771 2.691 3.925 -1.558 + 8154TIP3 H230772 2.823 3.903 -1.488 + 8155TIP3 OH230773 1.534 3.799 -2.359 + 8155TIP3 H130774 1.551 3.893 -2.344 + 8155TIP3 H230775 1.453 3.800 -2.410 + 8156TIP3 OH230776 1.630 3.304 -1.485 + 8156TIP3 H130777 1.612 3.301 -1.581 + 8156TIP3 H230778 1.598 3.217 -1.454 + 8157TIP3 OH230779 1.482 4.306 -0.683 + 8157TIP3 H130780 1.456 4.213 -0.674 + 8157TIP3 H230781 1.400 4.353 -0.700 + 8158TIP3 OH230782 2.070 4.329 -0.726 + 8158TIP3 H130783 2.071 4.345 -0.823 + 8158TIP3 H230784 2.105 4.238 -0.722 + 8159TIP3 OH230785 2.672 -4.376 -0.954 + 8159TIP3 H130786 2.751 -4.329 -0.984 + 8159TIP3 H230787 2.603 -4.310 -0.970 + 8160TIP3 OH230788 1.537 4.022 -0.708 + 8160TIP3 H130789 1.616 3.965 -0.714 + 8160TIP3 H230790 1.538 4.045 -0.613 + 8161TIP3 OH230791 1.998 4.160 -2.196 + 8161TIP3 H130792 1.929 4.119 -2.142 + 8161TIP3 H230793 2.010 4.094 -2.267 + 8162TIP3 OH230794 1.910 3.932 -0.969 + 8162TIP3 H130795 1.854 4.010 -0.950 + 8162TIP3 H230796 1.974 3.970 -1.032 + 8163TIP3 OH230797 2.078 3.957 -2.373 + 8163TIP3 H130798 2.075 3.971 -2.470 + 8163TIP3 H230799 2.174 3.957 -2.356 + 8164TIP3 OH230800 2.438 4.216 -0.614 + 8164TIP3 H130801 2.526 4.195 -0.648 + 8164TIP3 H230802 2.405 4.129 -0.587 + 8165TIP3 OH230803 3.000 4.191 -2.447 + 8165TIP3 H130804 2.999 4.174 -2.543 + 8165TIP3 H230805 3.025 4.286 -2.442 + 8166TIP3 OH230806 1.967 3.663 -0.856 + 8166TIP3 H130807 1.973 3.597 -0.928 + 8166TIP3 H230808 1.946 3.744 -0.905 + 8167TIP3 OH230809 2.000 3.510 -1.112 + 8167TIP3 H130810 2.052 3.562 -1.176 + 8167TIP3 H230811 1.909 3.514 -1.148 + 8168TIP3 OH230812 2.149 4.065 -1.081 + 8168TIP3 H130813 2.234 4.054 -1.126 + 8168TIP3 H230814 2.116 4.148 -1.120 + 8169TIP3 OH230815 2.615 3.849 -0.592 + 8169TIP3 H130816 2.635 3.755 -0.582 + 8169TIP3 H230817 2.704 3.887 -0.598 + 8170TIP3 OH230818 2.708 4.136 -0.758 + 8170TIP3 H130819 2.686 4.208 -0.822 + 8170TIP3 H230820 2.799 4.116 -0.785 + 8171TIP3 OH230821 1.781 3.851 -0.678 + 8171TIP3 H130822 1.732 3.767 -0.678 + 8171TIP3 H230823 1.864 3.824 -0.720 + 8172TIP3 OH230824 2.071 3.243 -1.075 + 8172TIP3 H130825 2.054 3.338 -1.092 + 8172TIP3 H230826 2.002 3.201 -1.129 + 8173TIP3 OH230827 2.199 3.701 -0.698 + 8173TIP3 H130828 2.164 3.681 -0.609 + 8173TIP3 H230829 2.119 3.681 -0.751 + 8174TIP3 OH230830 2.451 3.607 -0.810 + 8174TIP3 H130831 2.364 3.611 -0.768 + 8174TIP3 H230832 2.499 3.543 -0.753 + 8175TIP3 OH230833 2.634 3.455 -0.639 + 8175TIP3 H130834 2.623 3.359 -0.624 + 8175TIP3 H230835 2.619 3.494 -0.551 + 8176TIP3 OH230836 1.654 3.594 -0.692 + 8176TIP3 H130837 1.646 3.524 -0.759 + 8176TIP3 H230838 1.631 3.546 -0.610 + 8177TIP3 OH230839 2.056 3.191 -0.794 + 8177TIP3 H130840 2.116 3.115 -0.789 + 8177TIP3 H230841 2.053 3.207 -0.891 + 8178TIP3 OH230842 2.149 3.378 -0.607 + 8178TIP3 H130843 2.121 3.319 -0.680 + 8178TIP3 H230844 2.081 3.447 -0.608 + 8179TIP3 OH230845 3.138 4.131 -2.169 + 8179TIP3 H130846 3.085 4.100 -2.245 + 8179TIP3 H230847 3.106 4.224 -2.171 + 8180TIP3 OH230848 2.977 3.846 -2.362 + 8180TIP3 H130849 2.992 3.904 -2.438 + 8180TIP3 H230850 2.947 3.763 -2.404 + 8181TIP3 OH230851 2.948 3.987 -1.781 + 8181TIP3 H130852 2.931 3.893 -1.798 + 8181TIP3 H230853 2.905 3.999 -1.694 + 8182TIP3 OH230854 1.387 4.187 -1.375 + 8182TIP3 H130855 1.397 4.204 -1.470 + 8182TIP3 H230856 1.478 4.161 -1.349 + 8183TIP3 OH230857 2.987 4.160 -0.853 + 8183TIP3 H130858 3.058 4.099 -0.826 + 8183TIP3 H230859 3.032 4.244 -0.871 + 8184TIP3 OH230860 3.128 3.964 -0.734 + 8184TIP3 H130861 3.048 3.909 -0.752 + 8184TIP3 H230862 3.198 3.896 -0.732 + 8185TIP3 OH230863 2.914 3.582 -2.438 + 8185TIP3 H130864 2.974 3.529 -2.383 + 8185TIP3 H230865 2.836 3.526 -2.449 + 8186TIP3 OH230866 2.903 3.721 -1.939 + 8186TIP3 H130867 2.919 3.625 -1.929 + 8186TIP3 H230868 2.983 3.746 -1.989 + 8187TIP3 OH230869 2.920 3.772 -1.405 + 8187TIP3 H130870 3.018 3.778 -1.403 + 8187TIP3 H230871 2.902 3.771 -1.309 + 8188TIP3 OH230872 2.937 3.838 -1.121 + 8188TIP3 H130873 2.851 3.875 -1.096 + 8188TIP3 H230874 2.988 3.918 -1.144 + 8189TIP3 OH230875 1.385 3.716 -0.754 + 8189TIP3 H130876 1.479 3.690 -0.751 + 8189TIP3 H230877 1.341 3.629 -0.746 + 8190TIP3 OH230878 3.191 3.250 -0.593 + 8190TIP3 H130879 3.233 3.182 -0.649 + 8190TIP3 H230880 3.196 3.329 -0.650 + 8191TIP3 OH230881 2.942 3.435 -1.949 + 8191TIP3 H130882 2.957 3.398 -1.859 + 8191TIP3 H230883 2.864 3.383 -1.977 + 8192TIP3 OH230884 1.463 3.547 -1.474 + 8192TIP3 H130885 1.509 3.462 -1.465 + 8192TIP3 H230886 1.531 3.608 -1.440 + 8193TIP3 OH230887 1.316 3.815 -1.371 + 8193TIP3 H130888 1.380 3.815 -1.444 + 8193TIP3 H230889 1.347 3.891 -1.320 + 8194TIP3 OH230890 3.130 3.457 -0.766 + 8194TIP3 H130891 3.042 3.500 -0.765 + 8194TIP3 H230892 3.121 3.402 -0.846 + 8195TIP3 OH230893 3.142 3.477 -2.283 + 8195TIP3 H130894 3.171 3.395 -2.327 + 8195TIP3 H230895 3.225 3.526 -2.276 + 8196TIP3 OH230896 1.349 3.447 -1.973 + 8196TIP3 H130897 1.261 3.480 -1.993 + 8196TIP3 H230898 1.406 3.506 -2.027 + 8197TIP3 OH230899 1.372 3.338 -1.148 + 8197TIP3 H130900 1.301 3.309 -1.088 + 8197TIP3 H230901 1.321 3.388 -1.214 + 8198TIP3 OH230902 3.016 3.279 -0.968 + 8198TIP3 H130903 2.936 3.296 -1.022 + 8198TIP3 H230904 3.040 3.189 -1.000 + 8199TIP3 OH230905 2.359 3.431 -1.525 + 8199TIP3 H130906 2.291 3.362 -1.509 + 8199TIP3 H230907 2.422 3.382 -1.582 + 8200TIP3 OH230908 2.854 3.235 -1.476 + 8200TIP3 H130909 2.932 3.276 -1.516 + 8200TIP3 H230910 2.782 3.263 -1.535 + 8201TIP3 OH230911 3.060 3.345 -1.698 + 8201TIP3 H130912 3.135 3.299 -1.740 + 8201TIP3 H230913 3.096 3.433 -1.680 + 8202TIP3 OH230914 1.593 3.301 -1.770 + 8202TIP3 H130915 1.506 3.283 -1.811 + 8202TIP3 H230916 1.638 3.215 -1.782 + 8203TIP3 OH230917 1.476 3.250 -2.178 + 8203TIP3 H130918 1.528 3.316 -2.229 + 8203TIP3 H230919 1.432 3.306 -2.112 + 8204TIP3 OH230920 2.041 3.285 -1.780 + 8204TIP3 H130921 2.133 3.313 -1.794 + 8204TIP3 H230922 2.040 3.275 -1.684 + 8205TIP3 OH230923 2.599 3.289 -1.641 + 8205TIP3 H130924 2.629 3.269 -1.730 + 8205TIP3 H230925 2.563 3.203 -1.613 + 8206TIP3 OH230926 2.713 3.288 -2.041 + 8206TIP3 H130927 2.630 3.338 -2.054 + 8206TIP3 H230928 2.679 3.199 -2.025 + 8207TIP3 OH230929 1.647 3.432 -2.334 + 8207TIP3 H130930 1.707 3.377 -2.387 + 8207TIP3 H230931 1.708 3.465 -2.266 + 8208TIP3 OH230932 2.157 3.451 -2.075 + 8208TIP3 H130933 2.193 3.393 -2.005 + 8208TIP3 H230934 2.177 3.538 -2.036 + 8209TIP3 OH230935 1.574 3.324 -0.815 + 8209TIP3 H130936 1.535 3.243 -0.780 + 8209TIP3 H230937 1.667 3.312 -0.788 + 8210TIP3 OH230938 1.814 3.264 -0.641 + 8210TIP3 H130939 1.895 3.229 -0.682 + 8210TIP3 H230940 1.778 3.184 -0.599 + 8211TIP3 OH230941 2.626 3.175 -0.623 + 8211TIP3 H130942 2.631 3.133 -0.535 + 8211TIP3 H230943 2.719 3.171 -0.652 + 8212TIP3 OH230944 4.194 4.105 -1.412 + 8212TIP3 H130945 4.276 4.126 -1.364 + 8212TIP3 H230946 4.227 4.080 -1.499 + 8213TIP3 OH230947 3.509 4.085 -1.271 + 8213TIP3 H130948 3.504 4.007 -1.213 + 8213TIP3 H230949 3.581 4.133 -1.227 + 8214TIP3 OH230950 3.252 3.917 -1.895 + 8214TIP3 H130951 3.188 3.953 -1.832 + 8214TIP3 H230952 3.212 3.832 -1.916 + 8215TIP3 OH230953 3.339 4.152 -1.735 + 8215TIP3 H130954 3.320 4.082 -1.669 + 8215TIP3 H230955 3.435 4.143 -1.735 + 8216TIP3 OH230956 3.744 3.607 -1.619 + 8216TIP3 H130957 3.758 3.693 -1.664 + 8216TIP3 H230958 3.709 3.554 -1.693 + 8217TIP3 OH230959 3.406 3.882 -1.571 + 8217TIP3 H130960 3.472 3.843 -1.511 + 8217TIP3 H230961 3.425 3.832 -1.653 + 8218TIP3 OH230962 3.953 4.015 -1.619 + 8218TIP3 H130963 4.026 3.960 -1.584 + 8218TIP3 H230964 3.900 3.948 -1.665 + 8219TIP3 OH230965 3.628 3.485 -1.204 + 8219TIP3 H130966 3.585 3.536 -1.274 + 8219TIP3 H230967 3.561 3.493 -1.132 + 8220TIP3 OH230968 3.890 4.266 -1.222 + 8220TIP3 H130969 3.811 4.322 -1.217 + 8220TIP3 H230970 3.960 4.333 -1.220 + 8221TIP3 OH230971 3.582 3.693 -1.411 + 8221TIP3 H130972 3.648 3.747 -1.361 + 8221TIP3 H230973 3.641 3.654 -1.478 + 8222TIP3 OH230974 4.043 3.231 -1.490 + 8222TIP3 H130975 4.015 3.137 -1.489 + 8222TIP3 H230976 3.964 3.274 -1.452 + 8223TIP3 OH230977 4.265 4.126 -2.026 + 8223TIP3 H130978 4.197 4.192 -2.050 + 8223TIP3 H230979 4.329 4.141 -2.096 + 8224TIP3 OH230980 4.285 3.957 -2.296 + 8224TIP3 H130981 4.372 3.962 -2.255 + 8224TIP3 H230982 4.297 3.893 -2.367 + 8225TIP3 OH230983 3.765 4.212 -1.729 + 8225TIP3 H130984 3.742 4.173 -1.815 + 8225TIP3 H230985 3.838 4.154 -1.700 + 8226TIP3 OH230986 3.803 4.082 -1.394 + 8226TIP3 H130987 3.872 4.073 -1.462 + 8226TIP3 H230988 3.844 4.145 -1.332 + 8227TIP3 OH230989 3.597 4.152 -1.003 + 8227TIP3 H130990 3.610 4.212 -0.925 + 8227TIP3 H230991 3.501 4.142 -1.000 + 8228TIP3 OH230992 3.646 4.090 -1.973 + 8228TIP3 H130993 3.631 4.166 -2.034 + 8228TIP3 H230994 3.588 4.022 -2.009 + 8229TIP3 OH230995 3.262 4.312 -1.100 + 8229TIP3 H130996 3.238 4.286 -1.190 + 8229TIP3 H230997 3.279 4.226 -1.057 + 8230TIP3 OH230998 3.798 3.351 -1.406 + 8230TIP3 H130999 3.714 3.341 -1.454 + 8230TIP3 H231000 3.774 3.420 -1.343 + 8231TIP3 OH231001 4.234 3.284 -0.977 + 8231TIP3 H131002 4.244 3.212 -0.913 + 8231TIP3 H231003 4.143 3.269 -1.008 + 8232TIP3 OH231004 4.232 3.564 -2.307 + 8232TIP3 H131005 4.171 3.548 -2.233 + 8232TIP3 H231006 4.202 3.496 -2.369 + 8233TIP3 OH231007 3.777 3.828 -1.261 + 8233TIP3 H131008 3.721 3.837 -1.182 + 8233TIP3 H231009 3.783 3.919 -1.294 + 8234TIP3 OH231010 3.773 3.835 -1.776 + 8234TIP3 H131011 3.677 3.826 -1.792 + 8234TIP3 H231012 3.808 3.815 -1.864 + 8235TIP3 OH231013 4.275 3.878 -1.831 + 8235TIP3 H131014 4.271 3.974 -1.849 + 8235TIP3 H231015 4.367 3.863 -1.804 + 8236TIP3 OH231016 4.263 3.923 -0.706 + 8236TIP3 H131017 4.197 3.852 -0.716 + 8236TIP3 H231018 4.343 3.872 -0.731 + 8237TIP3 OH231019 3.519 3.843 -1.081 + 8237TIP3 H131020 3.543 3.876 -0.994 + 8237TIP3 H231021 3.486 3.754 -1.059 + 8238TIP3 OH231022 3.861 3.609 -2.421 + 8238TIP3 H131023 3.823 3.569 -2.340 + 8238TIP3 H231024 3.784 3.617 -2.479 + 8239TIP3 OH231025 3.213 3.610 -1.724 + 8239TIP3 H131026 3.261 3.592 -1.641 + 8239TIP3 H231027 3.250 3.546 -1.787 + 8240TIP3 OH231028 3.360 3.634 -2.142 + 8240TIP3 H131029 3.413 3.681 -2.209 + 8240TIP3 H231030 3.288 3.697 -2.128 + 8241TIP3 OH231031 4.346 3.973 -1.142 + 8241TIP3 H131032 4.378 3.902 -1.202 + 8241TIP3 H231033 4.272 3.925 -1.100 + 8242TIP3 OH231034 4.049 3.579 -1.668 + 8242TIP3 H131035 3.955 3.584 -1.644 + 8242TIP3 H231036 4.090 3.586 -1.580 + 8243TIP3 OH231037 3.506 3.725 -1.814 + 8243TIP3 H131038 3.418 3.733 -1.854 + 8243TIP3 H231039 3.538 3.641 -1.853 + 8244TIP3 OH231040 3.873 3.747 -2.039 + 8244TIP3 H131041 3.969 3.760 -2.030 + 8244TIP3 H231042 3.847 3.811 -2.108 + 8245TIP3 OH231043 3.718 3.882 -2.260 + 8245TIP3 H131044 3.662 3.844 -2.330 + 8245TIP3 H231045 3.802 3.893 -2.307 + 8246TIP3 OH231046 3.611 4.319 -0.795 + 8246TIP3 H131047 3.668 4.360 -0.726 + 8246TIP3 H231048 3.530 4.303 -0.741 + 8247TIP3 OH231049 4.145 3.829 -1.527 + 8247TIP3 H131050 4.215 3.781 -1.573 + 8247TIP3 H231051 4.161 3.802 -1.434 + 8248TIP3 OH231052 3.679 3.493 -1.873 + 8248TIP3 H131053 3.623 3.415 -1.855 + 8248TIP3 H231054 3.760 3.452 -1.906 + 8249TIP3 OH231055 4.051 3.686 -1.263 + 8249TIP3 H131056 3.978 3.749 -1.271 + 8249TIP3 H231057 4.105 3.726 -1.192 + 8250TIP3 OH231058 4.067 4.334 -2.064 + 8250TIP3 H131059 3.994 4.290 -2.113 + 8250TIP3 H231060 4.044 4.319 -1.972 + 8251TIP3 OH231061 3.572 4.224 -1.537 + 8251TIP3 H131062 3.656 4.231 -1.587 + 8251TIP3 H231063 3.599 4.163 -1.465 + 8252TIP3 OH231064 3.306 4.082 -0.966 + 8252TIP3 H131065 3.324 4.042 -0.878 + 8252TIP3 H231066 3.238 4.024 -1.003 + 8253TIP3 OH231067 4.002 4.068 -0.755 + 8253TIP3 H131068 3.954 4.009 -0.815 + 8253TIP3 H231069 4.088 4.025 -0.748 + 8254TIP3 OH231070 3.401 4.092 -2.309 + 8254TIP3 H131071 3.467 4.149 -2.268 + 8254TIP3 H231072 3.320 4.124 -2.266 + 8255TIP3 OH231073 3.439 3.563 -1.009 + 8255TIP3 H131074 3.347 3.588 -1.029 + 8255TIP3 H231075 3.425 3.479 -0.961 + 8256TIP3 OH231076 3.586 -4.386 -2.130 + 8256TIP3 H131077 3.496 -4.349 -2.117 + 8256TIP3 H231078 3.634 -4.307 -2.158 + 8257TIP3 OH231079 4.339 3.590 -1.100 + 8257TIP3 H131080 4.375 3.516 -1.052 + 8257TIP3 H231081 4.272 3.549 -1.156 + 8258TIP3 OH231082 4.135 3.675 -1.931 + 8258TIP3 H131083 4.197 3.747 -1.904 + 8258TIP3 H231084 4.099 3.656 -1.843 + 8259TIP3 OH231085 4.176 3.793 -1.019 + 8259TIP3 H131086 4.172 3.828 -0.929 + 8259TIP3 H231087 4.236 3.717 -1.011 + 8260TIP3 OH231088 4.193 3.389 -1.812 + 8260TIP3 H131089 4.166 3.467 -1.758 + 8260TIP3 H231090 4.271 3.424 -1.858 + 8261TIP3 OH231091 3.769 3.496 -2.185 + 8261TIP3 H131092 3.770 3.570 -2.122 + 8261TIP3 H231093 3.848 3.446 -2.159 + 8262TIP3 OH231094 3.423 3.800 -2.360 + 8262TIP3 H131095 3.434 3.895 -2.343 + 8262TIP3 H231096 3.341 3.797 -2.411 + 8263TIP3 OH231097 3.518 3.303 -1.485 + 8263TIP3 H131098 3.496 3.298 -1.580 + 8263TIP3 H231099 3.484 3.218 -1.451 + 8264TIP3 OH231100 3.366 4.306 -0.684 + 8264TIP3 H131101 3.346 4.213 -0.665 + 8264TIP3 H231102 3.281 4.346 -0.705 + 8265TIP3 OH231103 3.960 4.332 -0.723 + 8265TIP3 H131104 3.958 4.339 -0.820 + 8265TIP3 H231105 3.986 4.238 -0.713 + 8266TIP3 OH231106 3.430 4.017 -0.709 + 8266TIP3 H131107 3.499 3.950 -0.711 + 8266TIP3 H231108 3.434 4.044 -0.615 + 8267TIP3 OH231109 3.876 4.163 -2.193 + 8267TIP3 H131110 3.814 4.113 -2.140 + 8267TIP3 H231111 3.900 4.100 -2.263 + 8268TIP3 OH231112 3.798 3.944 -0.962 + 8268TIP3 H131113 3.741 4.021 -0.948 + 8268TIP3 H231114 3.861 3.977 -1.029 + 8269TIP3 OH231115 3.977 3.957 -2.369 + 8269TIP3 H131116 3.971 3.967 -2.466 + 8269TIP3 H231117 4.073 3.969 -2.354 + 8270TIP3 OH231118 4.287 4.197 -0.602 + 8270TIP3 H131119 4.351 4.161 -0.664 + 8270TIP3 H231120 4.235 4.118 -0.585 + 8271TIP3 OH231121 3.863 3.671 -0.844 + 8271TIP3 H131122 3.848 3.611 -0.918 + 8271TIP3 H231123 3.821 3.754 -0.873 + 8272TIP3 OH231124 3.886 3.511 -1.104 + 8272TIP3 H131125 3.934 3.571 -1.165 + 8272TIP3 H231126 3.794 3.515 -1.137 + 8273TIP3 OH231127 4.058 4.062 -1.089 + 8273TIP3 H131128 4.134 4.060 -1.149 + 8273TIP3 H231129 4.018 4.148 -1.110 + 8274TIP3 OH231130 3.973 3.251 -1.078 + 8274TIP3 H131131 3.946 3.345 -1.089 + 8274TIP3 H231132 3.903 3.206 -1.130 + 8275TIP3 OH231133 4.102 3.692 -0.711 + 8275TIP3 H131134 4.069 3.668 -0.623 + 8275TIP3 H231135 4.020 3.676 -0.763 + 8276TIP3 OH231136 3.535 3.608 -0.705 + 8276TIP3 H131137 3.532 3.529 -0.760 + 8276TIP3 H231138 3.521 3.573 -0.615 + 8277TIP3 OH231139 3.941 3.190 -0.793 + 8277TIP3 H131140 4.006 3.118 -0.791 + 8277TIP3 H231141 3.940 3.211 -0.888 + 8278TIP3 OH231142 4.043 3.370 -0.602 + 8278TIP3 H131143 4.004 3.319 -0.676 + 8278TIP3 H231144 3.979 3.444 -0.594 + 8279TIP3 OH231145 3.274 4.190 -1.379 + 8279TIP3 H131146 3.291 4.190 -1.474 + 8279TIP3 H231147 3.361 4.162 -1.344 + 8280TIP3 OH231148 3.270 3.713 -0.767 + 8280TIP3 H131149 3.365 3.698 -0.746 + 8280TIP3 H231150 3.233 3.626 -0.748 + 8281TIP3 OH231151 3.348 3.548 -1.478 + 8281TIP3 H131152 3.391 3.462 -1.464 + 8281TIP3 H231153 3.415 3.608 -1.439 + 8282TIP3 OH231154 3.202 3.816 -1.371 + 8282TIP3 H131155 3.264 3.812 -1.445 + 8282TIP3 H231156 3.237 3.891 -1.321 + 8283TIP3 OH231157 3.249 3.449 -1.963 + 8283TIP3 H131158 3.155 3.454 -1.985 + 8283TIP3 H231159 3.291 3.507 -2.029 + 8284TIP3 OH231160 3.258 3.343 -1.146 + 8284TIP3 H131161 3.189 3.305 -1.090 + 8284TIP3 H231162 3.204 3.384 -1.216 + 8285TIP3 OH231163 4.263 3.398 -1.521 + 8285TIP3 H131164 4.181 3.348 -1.508 + 8285TIP3 H231165 4.296 3.359 -1.603 + 8286TIP3 OH231166 3.482 3.302 -1.772 + 8286TIP3 H131167 3.394 3.285 -1.812 + 8286TIP3 H231168 3.523 3.214 -1.780 + 8287TIP3 OH231169 3.360 3.251 -2.181 + 8287TIP3 H131170 3.412 3.316 -2.231 + 8287TIP3 H231171 3.322 3.304 -2.110 + 8288TIP3 OH231172 3.932 3.286 -1.779 + 8288TIP3 H131173 4.025 3.314 -1.786 + 8288TIP3 H231174 3.924 3.275 -1.684 + 8289TIP3 OH231175 3.533 3.433 -2.336 + 8289TIP3 H131176 3.592 3.377 -2.388 + 8289TIP3 H231177 3.594 3.465 -2.267 + 8290TIP3 OH231178 4.066 3.451 -2.080 + 8290TIP3 H131179 4.066 3.390 -2.005 + 8290TIP3 H231180 4.061 3.537 -2.035 + 8291TIP3 OH231181 3.458 3.331 -0.810 + 8291TIP3 H131182 3.422 3.247 -0.778 + 8291TIP3 H231183 3.551 3.322 -0.785 + 8292TIP3 OH231184 3.698 3.261 -0.642 + 8292TIP3 H131185 3.781 3.227 -0.681 + 8292TIP3 H231186 3.663 3.181 -0.600 + 8293TIP3 OH231187 -3.161 -3.367 0.145 + 8293TIP3 H131188 -3.160 -3.271 0.155 + 8293TIP3 H231189 -3.237 -3.379 0.086 + 8294TIP3 OH231190 -3.277 -3.422 0.451 + 8294TIP3 H131191 -3.276 -3.478 0.530 + 8294TIP3 H231192 -3.302 -3.485 0.382 + 8295TIP3 OH231193 -4.029 -3.463 0.616 + 8295TIP3 H131194 -4.032 -3.537 0.679 + 8295TIP3 H231195 -3.958 -3.409 0.654 + 8296TIP3 OH231196 -2.908 -3.149 0.283 + 8296TIP3 H131197 -2.944 -3.220 0.338 + 8296TIP3 H231198 -2.876 -3.087 0.350 + 8297TIP3 OH231199 -3.960 -3.003 0.467 + 8297TIP3 H131200 -3.987 -3.092 0.440 + 8297TIP3 H231201 -3.866 -3.017 0.485 + 8298TIP3 OH231202 -4.214 -3.612 -0.107 + 8298TIP3 H131203 -4.227 -3.536 -0.048 + 8298TIP3 H231204 -4.306 -3.639 -0.121 + 8299TIP3 OH231205 -4.204 -3.430 0.165 + 8299TIP3 H131206 -4.188 -3.488 0.241 + 8299TIP3 H231207 -4.120 -3.383 0.156 + 8300TIP3 OH231208 -3.203 -2.614 0.340 + 8300TIP3 H131209 -3.143 -2.683 0.307 + 8300TIP3 H231210 -3.227 -2.649 0.426 + 8301TIP3 OH231211 -3.426 -3.172 0.508 + 8301TIP3 H131212 -3.393 -3.244 0.451 + 8301TIP3 H231213 -3.345 -3.155 0.559 + 8302TIP3 OH231214 -2.563 -4.013 0.554 + 8302TIP3 H131215 -2.532 -3.982 0.640 + 8302TIP3 H231216 -2.496 -3.974 0.496 + 8303TIP3 OH231217 -3.100 -3.740 0.560 + 8303TIP3 H131218 -3.077 -3.835 0.561 + 8303TIP3 H231219 -3.105 -3.724 0.464 + 8304TIP3 OH231220 -3.802 -3.941 0.270 + 8304TIP3 H131221 -3.783 -3.857 0.224 + 8304TIP3 H231222 -3.832 -3.995 0.195 + 8305TIP3 OH231223 -3.011 -3.922 0.102 + 8305TIP3 H131224 -2.950 -3.964 0.166 + 8305TIP3 H231225 -2.948 -3.877 0.044 + 8306TIP3 OH231226 -4.139 -3.663 0.320 + 8306TIP3 H131227 -4.080 -3.705 0.385 + 8306TIP3 H231228 -4.120 -3.716 0.241 + 8307TIP3 OH231229 -3.593 -3.526 0.264 + 8307TIP3 H131230 -3.522 -3.580 0.301 + 8307TIP3 H231231 -3.643 -3.593 0.214 + 8308TIP3 OH231232 -2.472 -3.841 0.819 + 8308TIP3 H131233 -2.560 -3.803 0.803 + 8308TIP3 H231234 -2.486 -3.904 0.890 + 8309TIP3 OH231235 -3.917 -4.051 0.689 + 8309TIP3 H131236 -3.957 -4.010 0.612 + 8309TIP3 H231237 -3.987 -4.034 0.756 + 8310TIP3 OH231238 -3.172 -3.084 0.023 + 8310TIP3 H131239 -3.200 -3.103 -0.067 + 8310TIP3 H231240 -3.215 -2.998 0.041 + 8311TIP3 OH231241 -3.626 -3.270 0.695 + 8311TIP3 H131242 -3.698 -3.209 0.720 + 8311TIP3 H231243 -3.562 -3.210 0.651 + 8312TIP3 OH231244 -2.823 -4.015 0.305 + 8312TIP3 H131245 -2.873 -4.058 0.376 + 8312TIP3 H231246 -2.769 -3.952 0.355 + 8313TIP3 OH231247 -3.958 -3.850 0.476 + 8313TIP3 H131248 -3.893 -3.793 0.521 + 8313TIP3 H231249 -3.902 -3.888 0.405 + 8314TIP3 OH231250 -3.828 -3.083 0.768 + 8314TIP3 H131251 -3.829 -2.992 0.735 + 8314TIP3 H231252 -3.916 -3.088 0.809 + 8315TIP3 OH231253 -4.183 -3.119 -0.142 + 8315TIP3 H131254 -4.264 -3.101 -0.194 + 8315TIP3 H231255 -4.192 -3.058 -0.067 + 8316TIP3 OH231256 -2.852 -2.968 0.533 + 8316TIP3 H131257 -2.948 -2.954 0.533 + 8316TIP3 H231258 -2.821 -2.883 0.496 + 8317TIP3 OH231259 -2.807 -4.111 0.702 + 8317TIP3 H131260 -2.887 -4.076 0.660 + 8317TIP3 H231261 -2.739 -4.096 0.634 + 8318TIP3 OH231262 -3.496 4.381 0.415 + 8318TIP3 H131263 -3.502 4.285 0.415 + 8318TIP3 H231264 -3.586 4.412 0.437 + 8319TIP3 OH231265 -3.020 -2.773 0.189 + 8319TIP3 H131266 -2.972 -2.852 0.159 + 8319TIP3 H231267 -2.951 -2.704 0.179 + 8320TIP3 OH231268 -2.876 -2.987 0.052 + 8320TIP3 H131269 -2.925 -3.034 -0.018 + 8320TIP3 H231270 -2.881 -3.051 0.125 + 8321TIP3 OH231271 -2.723 -3.105 0.901 + 8321TIP3 H131272 -2.731 -3.169 0.827 + 8321TIP3 H231273 -2.709 -3.022 0.853 + 8322TIP3 OH231274 -3.297 -3.415 -0.130 + 8322TIP3 H131275 -3.361 -3.353 -0.169 + 8322TIP3 H231276 -3.223 -3.409 -0.194 + 8323TIP3 OH231277 -3.267 -3.596 -0.425 + 8323TIP3 H131278 -3.198 -3.565 -0.363 + 8323TIP3 H231279 -3.214 -3.653 -0.483 + 8324TIP3 OH231280 -2.546 -3.487 0.699 + 8324TIP3 H131281 -2.617 -3.421 0.702 + 8324TIP3 H231282 -2.496 -3.458 0.620 + 8325TIP3 OH231283 -2.944 -3.416 -0.022 + 8325TIP3 H131284 -3.012 -3.393 0.046 + 8325TIP3 H231285 -2.882 -3.470 0.030 + 8326TIP3 OH231286 -2.961 -3.562 0.861 + 8326TIP3 H131287 -2.954 -3.481 0.914 + 8326TIP3 H231288 -3.024 -3.531 0.794 + 8327TIP3 OH231289 -3.783 -3.337 0.155 + 8327TIP3 H131290 -3.815 -3.381 0.074 + 8327TIP3 H231291 -3.718 -3.401 0.188 + 8328TIP3 OH231292 -3.649 -2.999 0.430 + 8328TIP3 H131293 -3.657 -3.035 0.341 + 8328TIP3 H231294 -3.568 -3.044 0.462 + 8329TIP3 OH231295 -3.728 -3.454 0.503 + 8329TIP3 H131296 -3.670 -3.453 0.425 + 8329TIP3 H231297 -3.686 -3.389 0.563 + 8330TIP3 OH231298 -3.135 -2.904 0.562 + 8330TIP3 H131299 -3.129 -2.837 0.632 + 8330TIP3 H231300 -3.154 -2.986 0.610 + 8331TIP3 OH231301 -3.642 -3.026 0.988 + 8331TIP3 H131302 -3.694 -2.958 1.036 + 8331TIP3 H231303 -3.706 -3.051 0.918 + 8332TIP3 OH231304 -3.049 -3.471 -0.276 + 8332TIP3 H131305 -3.001 -3.443 -0.195 + 8332TIP3 H231306 -2.999 -3.420 -0.345 + 8333TIP3 OH231307 -3.956 -3.390 0.904 + 8333TIP3 H131308 -3.947 -3.329 0.979 + 8333TIP3 H231309 -4.053 -3.393 0.893 + 8334TIP3 OH231310 -3.305 -2.810 0.081 + 8334TIP3 H131311 -3.254 -2.781 0.158 + 8334TIP3 H231312 -3.353 -2.730 0.054 + 8335TIP3 OH231313 -3.836 -2.808 1.072 + 8335TIP3 H131314 -3.842 -2.803 0.975 + 8335TIP3 H231315 -3.927 -2.827 1.099 + 8336TIP3 OH231316 -2.728 -4.325 -0.353 + 8336TIP3 H131317 -2.771 -4.322 -0.267 + 8336TIP3 H231318 -2.652 -4.268 -0.336 + 8337TIP3 OH231319 -3.893 -3.464 -0.092 + 8337TIP3 H131320 -3.916 -3.387 -0.147 + 8337TIP3 H231321 -3.962 -3.527 -0.116 + 8338TIP3 OH231322 -2.566 -2.878 -0.471 + 8338TIP3 H131323 -2.548 -2.785 -0.447 + 8338TIP3 H231324 -2.479 -2.920 -0.452 + 8339TIP3 OH231325 -4.267 -3.180 0.761 + 8339TIP3 H131326 -4.287 -3.215 0.672 + 8339TIP3 H231327 -4.306 -3.250 0.817 + 8340TIP3 OH231328 -4.281 -2.900 0.458 + 8340TIP3 H131329 -4.197 -2.944 0.476 + 8340TIP3 H231330 -4.298 -2.853 0.540 + 8341TIP3 OH231331 -2.441 -2.842 1.056 + 8341TIP3 H131332 -2.452 -2.936 1.032 + 8341TIP3 H231333 -2.533 -2.818 1.080 + 8342TIP3 OH231334 -3.378 -2.920 0.932 + 8342TIP3 H131335 -3.370 -2.837 0.983 + 8342TIP3 H231336 -3.468 -2.949 0.955 + 8343TIP3 OH231337 -3.354 -2.537 -0.072 + 8343TIP3 H131338 -3.346 -2.528 -0.168 + 8343TIP3 H231339 -3.343 -2.446 -0.040 + 8344TIP3 OH231340 -3.979 -2.623 0.093 + 8344TIP3 H131341 -3.953 -2.666 0.177 + 8344TIP3 H231342 -4.055 -2.678 0.070 + 8345TIP3 OH231343 -3.020 -2.596 -0.353 + 8345TIP3 H131344 -2.961 -2.661 -0.397 + 8345TIP3 H231345 -3.024 -2.634 -0.263 + 8346TIP3 OH231346 -3.081 -2.653 -0.074 + 8346TIP3 H131347 -3.175 -2.642 -0.056 + 8346TIP3 H231348 -3.059 -2.723 -0.009 + 8347TIP3 OH231349 -2.763 -3.708 1.092 + 8347TIP3 H131350 -2.812 -3.668 1.019 + 8347TIP3 H231351 -2.755 -3.800 1.063 + 8348TIP3 OH231352 -4.072 -3.040 0.910 + 8348TIP3 H131353 -4.042 -3.099 0.982 + 8348TIP3 H231354 -4.147 -3.090 0.870 + 8349TIP3 OH231355 -3.753 -4.223 0.498 + 8349TIP3 H131356 -3.839 -4.230 0.454 + 8349TIP3 H231357 -3.763 -4.136 0.540 + 8350TIP3 OH231358 -3.290 -4.263 0.854 + 8350TIP3 H131359 -3.270 -4.308 0.936 + 8350TIP3 H231360 -3.385 -4.277 0.846 + 8351TIP3 OH231361 -2.996 -3.864 0.894 + 8351TIP3 H131362 -3.050 -3.875 0.974 + 8351TIP3 H231363 -2.998 -3.768 0.878 + 8352TIP3 OH231364 -2.895 -3.363 -0.476 + 8352TIP3 H131365 -2.914 -3.380 -0.571 + 8352TIP3 H231366 -2.801 -3.337 -0.481 + 8353TIP3 OH231367 -3.329 -3.993 -0.431 + 8353TIP3 H131368 -3.383 -4.004 -0.350 + 8353TIP3 H231369 -3.378 -4.054 -0.490 + 8354TIP3 OH231370 -3.761 -3.714 0.623 + 8354TIP3 H131371 -3.821 -3.703 0.699 + 8354TIP3 H231372 -3.754 -3.624 0.587 + 8355TIP3 OH231373 -3.770 -3.710 0.113 + 8355TIP3 H131374 -3.865 -3.716 0.094 + 8355TIP3 H231375 -3.733 -3.727 0.024 + 8356TIP3 OH231376 -3.206 -3.652 -0.012 + 8356TIP3 H131377 -3.247 -3.569 -0.044 + 8356TIP3 H231378 -3.138 -3.667 -0.079 + 8357TIP3 OH231379 -3.287 -3.631 1.123 + 8357TIP3 H131380 -3.338 -3.707 1.160 + 8357TIP3 H231381 -3.200 -3.644 1.165 + 8358TIP3 OH231382 -3.122 -3.711 0.267 + 8358TIP3 H131383 -3.150 -3.653 0.194 + 8358TIP3 H231384 -3.100 -3.792 0.216 + 8359TIP3 OH231385 -4.026 -3.697 0.807 + 8359TIP3 H131386 -3.995 -3.663 0.891 + 8359TIP3 H231387 -4.052 -3.788 0.830 + 8360TIP3 OH231388 -3.690 -3.940 -0.535 + 8360TIP3 H131389 -3.723 -3.978 -0.451 + 8360TIP3 H231390 -3.770 -3.928 -0.587 + 8361TIP3 OH231391 -4.317 -3.938 0.169 + 8361TIP3 H131392 -4.305 -3.970 0.261 + 8361TIP3 H231393 -4.293 -4.016 0.117 + 8362TIP3 OH231394 -4.207 -3.896 -0.245 + 8362TIP3 H131395 -4.150 -3.865 -0.318 + 8362TIP3 H231396 -4.291 -3.854 -0.266 + 8363TIP3 OH231397 -3.213 -3.544 0.712 + 8363TIP3 H131398 -3.168 -3.616 0.662 + 8363TIP3 H231399 -3.242 -3.590 0.791 + 8364TIP3 OH231400 -3.490 -3.941 0.211 + 8364TIP3 H131401 -3.583 -3.961 0.231 + 8364TIP3 H231402 -3.446 -3.971 0.292 + 8365TIP3 OH231403 -4.039 -3.821 0.076 + 8365TIP3 H131404 -4.116 -3.811 0.018 + 8365TIP3 H231405 -4.002 -3.905 0.044 + 8366TIP3 OH231406 -3.671 -3.791 -0.149 + 8366TIP3 H131407 -3.574 -3.786 -0.144 + 8366TIP3 H231408 -3.694 -3.730 -0.221 + 8367TIP3 OH231409 -3.056 -4.033 0.515 + 8367TIP3 H131410 -3.119 -4.035 0.590 + 8367TIP3 H231411 -3.115 -4.063 0.444 + 8368TIP3 OH231412 -3.825 -3.667 -0.374 + 8368TIP3 H131413 -3.882 -3.698 -0.446 + 8368TIP3 H231414 -3.743 -3.648 -0.422 + 8369TIP3 OH231415 -2.751 -2.455 1.182 + 8369TIP3 H131416 -2.728 -2.411 1.098 + 8369TIP3 H231417 -2.678 -2.425 1.240 + 8370TIP3 OH231418 -3.953 -3.196 1.124 + 8370TIP3 H131419 -3.890 -3.192 1.199 + 8370TIP3 H231420 -4.037 -3.185 1.174 + 8371TIP3 OH231421 -3.389 -3.694 0.397 + 8371TIP3 H131422 -3.316 -3.736 0.349 + 8371TIP3 H231423 -3.404 -3.757 0.470 + 8372TIP3 OH231424 -3.880 -4.060 0.021 + 8372TIP3 H131425 -3.923 -4.146 0.033 + 8372TIP3 H231426 -3.794 -4.085 -0.018 + 8373TIP3 OH231427 -3.493 -3.851 0.623 + 8373TIP3 H131428 -3.567 -3.788 0.622 + 8373TIP3 H231429 -3.443 -3.823 0.702 + 8374TIP3 OH231430 -3.479 -3.208 -0.190 + 8374TIP3 H131431 -3.555 -3.260 -0.224 + 8374TIP3 H231432 -3.497 -3.204 -0.093 + 8375TIP3 OH231433 -2.756 -3.293 0.685 + 8375TIP3 H131434 -2.704 -3.240 0.620 + 8375TIP3 H231435 -2.841 -3.304 0.637 + 8376TIP3 OH231436 -3.061 -3.932 -0.427 + 8376TIP3 H131437 -3.159 -3.938 -0.425 + 8376TIP3 H231438 -3.041 -3.863 -0.361 + 8377TIP3 OH231439 -3.316 -3.210 0.943 + 8377TIP3 H131440 -3.342 -3.240 1.031 + 8377TIP3 H231441 -3.343 -3.116 0.943 + 8378TIP3 OH231442 -2.996 -3.749 -0.213 + 8378TIP3 H131443 -2.909 -3.763 -0.169 + 8378TIP3 H231444 -2.986 -3.660 -0.250 + 8379TIP3 OH231445 -3.978 -3.280 0.380 + 8379TIP3 H131446 -3.909 -3.286 0.311 + 8379TIP3 H231447 -3.961 -3.360 0.432 + 8380TIP3 OH231448 -3.238 -3.073 -0.297 + 8380TIP3 H131449 -3.263 -2.987 -0.258 + 8380TIP3 H231450 -3.314 -3.128 -0.269 + 8381TIP3 OH231451 -4.240 -3.425 0.948 + 8381TIP3 H131452 -4.230 -3.492 1.019 + 8381TIP3 H231453 -4.287 -3.476 0.878 + 8382TIP3 OH231454 -3.541 -3.494 1.118 + 8382TIP3 H131455 -3.574 -3.517 1.030 + 8382TIP3 H231456 -3.447 -3.520 1.109 + 8383TIP3 OH231457 -3.088 -2.953 0.890 + 8383TIP3 H131458 -3.184 -2.941 0.884 + 8383TIP3 H231459 -3.070 -2.924 0.981 + 8384TIP3 OH231460 -2.535 -3.745 -0.232 + 8384TIP3 H131461 -2.591 -3.764 -0.310 + 8384TIP3 H231462 -2.523 -3.649 -0.246 + 8385TIP3 OH231463 -2.489 -3.141 1.048 + 8385TIP3 H131464 -2.583 -3.119 1.028 + 8385TIP3 H231465 -2.455 -3.160 0.959 + 8386TIP3 OH231466 -2.721 -2.886 -0.228 + 8386TIP3 H131467 -2.733 -2.961 -0.168 + 8386TIP3 H231468 -2.658 -2.919 -0.293 + 8387TIP3 OH231469 -2.990 -3.350 0.516 + 8387TIP3 H131470 -3.082 -3.365 0.490 + 8387TIP3 H231471 -2.945 -3.422 0.466 + 8388TIP3 OH231472 -3.728 -2.942 0.121 + 8388TIP3 H131473 -3.685 -2.856 0.107 + 8388TIP3 H231474 -3.819 -2.922 0.095 + 8389TIP3 OH231475 -4.152 -3.444 -0.413 + 8389TIP3 H131476 -4.080 -3.391 -0.374 + 8389TIP3 H231477 -4.228 -3.388 -0.393 + 8390TIP3 OH231478 -3.543 -3.173 0.080 + 8390TIP3 H131479 -3.572 -3.082 0.096 + 8390TIP3 H231480 -3.614 -3.223 0.123 + 8391TIP3 OH231481 -3.526 -2.746 0.716 + 8391TIP3 H131482 -3.470 -2.672 0.687 + 8391TIP3 H231483 -3.464 -2.796 0.771 + 8392TIP3 OH231484 -3.681 -2.652 0.041 + 8392TIP3 H131485 -3.777 -2.637 0.048 + 8392TIP3 H231486 -3.645 -2.565 0.064 + 8393TIP3 OH231487 -3.186 -3.172 0.672 + 8393TIP3 H131488 -3.213 -3.200 0.762 + 8393TIP3 H231489 -3.111 -3.232 0.655 + 8394TIP3 OH231490 -2.971 -3.043 -0.435 + 8394TIP3 H131491 -2.925 -3.085 -0.361 + 8394TIP3 H231492 -3.063 -3.057 -0.407 + 8395TIP3 OH231493 -2.892 -2.714 0.913 + 8395TIP3 H131494 -2.967 -2.758 0.869 + 8395TIP3 H231495 -2.879 -2.635 0.858 + 8396TIP3 OH231496 -2.490 -2.605 -0.376 + 8396TIP3 H131497 -2.430 -2.545 -0.423 + 8396TIP3 H231498 -2.571 -2.550 -0.376 + 8397TIP3 OH231499 -4.107 -3.957 0.883 + 8397TIP3 H131500 -4.196 -3.924 0.864 + 8397TIP3 H231501 -4.124 -4.045 0.922 + 8398TIP3 OH231502 -2.873 -3.180 -0.195 + 8398TIP3 H131503 -2.898 -3.253 -0.136 + 8398TIP3 H231504 -2.776 -3.182 -0.189 + 8399TIP3 OH231505 -4.129 -2.799 0.726 + 8399TIP3 H131506 -4.109 -2.893 0.735 + 8399TIP3 H231507 -4.094 -2.766 0.809 + 8400TIP3 OH231508 -3.547 -2.936 -0.578 + 8400TIP3 H131509 -3.514 -3.014 -0.626 + 8400TIP3 H231510 -3.586 -2.977 -0.500 + 8401TIP3 OH231511 -3.664 -2.986 -0.304 + 8401TIP3 H131512 -3.610 -3.039 -0.243 + 8401TIP3 H231513 -3.647 -2.895 -0.273 + 8402TIP3 OH231514 -3.987 -3.244 -0.272 + 8402TIP3 H131515 -4.056 -3.203 -0.216 + 8402TIP3 H231516 -3.936 -3.165 -0.295 + 8403TIP3 OH231517 -3.217 -4.006 0.746 + 8403TIP3 H131518 -3.151 -3.980 0.812 + 8403TIP3 H231519 -3.249 -4.092 0.780 + 8404TIP3 OH231520 -3.135 -4.057 -0.141 + 8404TIP3 H131521 -3.129 -3.997 -0.216 + 8404TIP3 H231522 -3.100 -4.002 -0.069 + 8405TIP3 OH231523 -3.366 -2.823 -0.243 + 8405TIP3 H131524 -3.447 -2.772 -0.226 + 8405TIP3 H231525 -3.328 -2.776 -0.318 + 8406TIP3 OH231526 -3.403 -3.852 -0.041 + 8406TIP3 H131527 -3.329 -3.788 -0.028 + 8406TIP3 H231528 -3.432 -3.867 0.051 + 8407TIP3 OH231529 -3.372 -3.762 0.873 + 8407TIP3 H131530 -3.361 -3.710 0.954 + 8407TIP3 H231531 -3.312 -3.836 0.887 + 8408TIP3 OH231532 -3.330 -4.174 0.059 + 8408TIP3 H131533 -3.364 -4.099 0.111 + 8408TIP3 H231534 -3.275 -4.128 -0.008 + 8409TIP3 OH231535 -3.647 -2.715 -0.243 + 8409TIP3 H131536 -3.652 -2.633 -0.297 + 8409TIP3 H231537 -3.657 -2.681 -0.153 + 8410TIP3 OH231538 -3.775 -4.050 -0.289 + 8410TIP3 H131539 -3.772 -3.968 -0.238 + 8410TIP3 H231540 -3.688 -4.088 -0.267 + 8411TIP3 OH231541 -2.735 -3.963 0.956 + 8411TIP3 H131542 -2.830 -3.952 0.938 + 8411TIP3 H231543 -2.705 -3.987 0.867 + 8412TIP3 OH231544 -2.889 -3.574 0.364 + 8412TIP3 H131545 -2.970 -3.621 0.336 + 8412TIP3 H231546 -2.839 -3.646 0.410 + 8413TIP3 OH231547 -3.931 -2.957 -0.390 + 8413TIP3 H131548 -3.855 -2.915 -0.348 + 8413TIP3 H231549 -3.885 -3.013 -0.454 + 8414TIP3 OH231550 -4.112 -3.746 -0.476 + 8414TIP3 H131551 -4.106 -3.651 -0.454 + 8414TIP3 H231552 -4.196 -3.754 -0.522 + 8415TIP3 OH231553 -2.788 -2.688 0.503 + 8415TIP3 H131554 -2.804 -2.607 0.451 + 8415TIP3 H231555 -2.694 -2.675 0.525 + 8416TIP3 OH231556 -4.076 -4.236 0.421 + 8416TIP3 H131557 -4.060 -4.256 0.327 + 8416TIP3 H231558 -4.110 -4.322 0.451 + 8417TIP3 OH231559 -4.135 -2.877 0.029 + 8417TIP3 H131560 -4.227 -2.848 0.032 + 8417TIP3 H231561 -4.105 -2.841 -0.056 + 8418TIP3 OH231562 -4.214 -2.605 1.148 + 8418TIP3 H131563 -4.151 -2.604 1.222 + 8418TIP3 H231564 -4.214 -2.701 1.133 + 8419TIP3 OH231565 -3.727 -2.692 1.321 + 8419TIP3 H131566 -3.657 -2.756 1.342 + 8419TIP3 H231567 -3.750 -2.718 1.231 + 8420TIP3 OH231568 -3.323 -2.766 -0.527 + 8420TIP3 H131569 -3.397 -2.829 -0.538 + 8420TIP3 H231570 -3.250 -2.818 -0.565 + 8421TIP3 OH231571 -3.082 -2.863 1.181 + 8421TIP3 H131572 -3.118 -2.947 1.216 + 8421TIP3 H231573 -3.011 -2.842 1.243 + 8422TIP3 OH231574 -2.861 -2.775 -0.517 + 8422TIP3 H131575 -2.842 -2.854 -0.464 + 8422TIP3 H231576 -2.782 -2.770 -0.574 + 8423TIP3 OH231577 -4.200 -3.200 1.210 + 8423TIP3 H131578 -4.189 -3.289 1.173 + 8423TIP3 H231579 -4.287 -3.174 1.176 + 8424TIP3 OH231580 -3.782 -3.195 -0.545 + 8424TIP3 H131581 -3.762 -3.252 -0.468 + 8424TIP3 H231582 -3.695 -3.195 -0.590 + 8425TIP3 OH231583 -3.540 -3.216 1.190 + 8425TIP3 H131584 -3.568 -3.183 1.103 + 8425TIP3 H231585 -3.531 -3.312 1.174 + 8426TIP3 OH231586 -3.261 -3.062 -0.582 + 8426TIP3 H131587 -3.259 -3.065 -0.485 + 8426TIP3 H231588 -3.262 -3.158 -0.602 + 8427TIP3 OH231589 -3.002 -3.253 0.928 + 8427TIP3 H131590 -2.922 -3.201 0.907 + 8427TIP3 H231591 -3.070 -3.184 0.925 + 8428TIP3 OH231592 -4.135 -3.532 1.188 + 8428TIP3 H131593 -4.053 -3.584 1.175 + 8428TIP3 H231594 -4.122 -3.498 1.278 + 8429TIP3 OH231595 -3.675 -3.383 -0.312 + 8429TIP3 H131596 -3.733 -3.436 -0.254 + 8429TIP3 H231597 -3.642 -3.451 -0.374 + 8430TIP3 OH231598 -3.751 -3.608 0.915 + 8430TIP3 H131599 -3.805 -3.529 0.933 + 8430TIP3 H231600 -3.684 -3.574 0.854 + 8431TIP3 OH231601 -3.576 -3.583 -0.484 + 8431TIP3 H131602 -3.579 -3.575 -0.582 + 8431TIP3 H231603 -3.480 -3.588 -0.468 + 8432TIP3 OH231604 -3.219 -3.337 1.271 + 8432TIP3 H131605 -3.129 -3.356 1.239 + 8432TIP3 H231606 -3.243 -3.422 1.311 + 8433TIP3 OH231607 -2.626 -3.333 -0.552 + 8433TIP3 H131608 -2.634 -3.373 -0.639 + 8433TIP3 H231609 -2.633 -3.238 -0.575 + 8434TIP3 OH231610 -3.694 -3.881 1.026 + 8434TIP3 H131611 -3.682 -3.944 0.953 + 8434TIP3 H231612 -3.711 -3.798 0.978 + 8435TIP3 OH231613 -3.651 -4.038 0.768 + 8435TIP3 H131614 -3.599 -3.981 0.708 + 8435TIP3 H231615 -3.743 -4.026 0.735 + 8436TIP3 OH231616 -3.502 -3.488 0.815 + 8436TIP3 H131617 -3.418 -3.496 0.767 + 8436TIP3 H231618 -3.532 -3.400 0.784 + 8437TIP3 OH231619 -3.045 -3.693 1.293 + 8437TIP3 H131620 -3.023 -3.787 1.307 + 8437TIP3 H231621 -2.956 -3.654 1.287 + 8438TIP3 OH231622 -2.948 -3.415 1.142 + 8438TIP3 H131623 -2.982 -3.353 1.073 + 8438TIP3 H231624 -2.858 -3.430 1.107 + 8439TIP3 OH231625 -3.881 -3.691 1.207 + 8439TIP3 H131626 -3.928 -3.777 1.206 + 8439TIP3 H231627 -3.797 -3.716 1.164 + 8440TIP3 OH231628 -3.607 -4.277 0.893 + 8440TIP3 H131629 -3.591 -4.188 0.856 + 8440TIP3 H231630 -3.699 -4.287 0.866 + 8441TIP3 OH231631 -3.457 -3.844 1.186 + 8441TIP3 H131632 -3.488 -3.871 1.274 + 8441TIP3 H231633 -3.538 -3.863 1.134 + 8442TIP3 OH231634 -3.197 -3.944 1.085 + 8442TIP3 H131635 -3.286 -3.931 1.122 + 8442TIP3 H231636 -3.159 -4.010 1.146 + 8443TIP3 OH231637 -3.032 -4.135 1.251 + 8443TIP3 H131638 -3.034 -4.223 1.291 + 8443TIP3 H231639 -3.038 -4.076 1.328 + 8444TIP3 OH231640 -4.002 -3.952 1.194 + 8444TIP3 H131641 -4.023 -4.018 1.126 + 8444TIP3 H231642 -4.040 -3.993 1.274 + 8445TIP3 OH231643 -3.495 -4.148 1.298 + 8445TIP3 H131644 -3.517 -4.229 1.249 + 8445TIP3 H231645 -3.579 -4.099 1.300 + 8446TIP3 OH231646 -3.600 -2.457 -0.374 + 8446TIP3 H131647 -3.504 -2.450 -0.362 + 8446TIP3 H231648 -3.611 -2.418 -0.461 + 8447TIP3 OH231649 -4.199 -2.970 -0.466 + 8447TIP3 H131650 -4.122 -2.975 -0.407 + 8447TIP3 H231651 -4.217 -3.062 -0.486 + 8448TIP3 OH231652 -4.275 -2.690 0.248 + 8448TIP3 H131653 -4.276 -2.780 0.284 + 8448TIP3 H231654 -4.241 -2.642 0.325 + 8449TIP3 OH231655 -2.518 -2.575 0.553 + 8449TIP3 H131656 -2.497 -2.571 0.647 + 8449TIP3 H231657 -2.435 -2.541 0.515 + 8450TIP3 OH231658 -2.530 -2.628 0.843 + 8450TIP3 H131659 -2.575 -2.704 0.802 + 8450TIP3 H231660 -2.467 -2.673 0.901 + 8451TIP3 OH231661 -2.726 -3.086 1.270 + 8451TIP3 H131662 -2.815 -3.077 1.309 + 8451TIP3 H231663 -2.681 -3.004 1.298 + 8452TIP3 OH231664 -2.587 -3.194 -0.158 + 8452TIP3 H131665 -2.497 -3.160 -0.144 + 8452TIP3 H231666 -2.592 -3.257 -0.084 + 8453TIP3 OH231667 -2.536 -3.400 0.043 + 8453TIP3 H131668 -2.605 -3.455 0.084 + 8453TIP3 H231669 -2.469 -3.390 0.114 + 8454TIP3 OH231670 -2.568 -3.150 0.536 + 8454TIP3 H131671 -2.503 -3.199 0.483 + 8454TIP3 H231672 -2.552 -3.059 0.508 + 8455TIP3 OH231673 -2.696 -2.859 0.763 + 8455TIP3 H131674 -2.769 -2.817 0.811 + 8455TIP3 H231675 -2.741 -2.894 0.683 + 8456TIP3 OH231676 -2.517 -3.456 -0.301 + 8456TIP3 H131677 -2.566 -3.425 -0.380 + 8456TIP3 H231678 -2.526 -3.379 -0.243 + 8457TIP3 OH231679 -2.689 -3.698 -0.477 + 8457TIP3 H131680 -2.660 -3.637 -0.546 + 8457TIP3 H231681 -2.711 -3.778 -0.528 + 8458TIP3 OH231682 -2.749 -3.583 0.120 + 8458TIP3 H131683 -2.753 -3.678 0.104 + 8458TIP3 H231684 -2.784 -3.575 0.211 + 8459TIP3 OH231685 -4.256 -3.335 0.519 + 8459TIP3 H131686 -4.222 -3.313 0.431 + 8459TIP3 H231687 -4.176 -3.377 0.558 + 8460TIP3 OH231688 -2.684 -3.394 1.044 + 8460TIP3 H131689 -2.608 -3.455 1.047 + 8460TIP3 H231690 -2.642 -3.312 1.015 + 8461TIP3 OH231691 -2.522 -3.594 1.158 + 8461TIP3 H131692 -2.606 -3.637 1.134 + 8461TIP3 H231693 -2.460 -3.670 1.149 + 8462TIP3 OH231694 -2.745 -3.970 -0.561 + 8462TIP3 H131695 -2.685 -4.012 -0.496 + 8462TIP3 H231696 -2.828 -4.019 -0.549 + 8463TIP3 OH231697 -2.764 -3.827 -0.059 + 8463TIP3 H131698 -2.746 -3.924 -0.054 + 8463TIP3 H231699 -2.682 -3.796 -0.101 + 8464TIP3 OH231700 -2.738 -3.774 0.480 + 8464TIP3 H131701 -2.640 -3.764 0.475 + 8464TIP3 H231702 -2.749 -3.776 0.577 + 8465TIP3 OH231703 -2.723 -3.708 0.767 + 8465TIP3 H131704 -2.806 -3.662 0.790 + 8465TIP3 H231705 -2.664 -3.633 0.745 + 8466TIP3 OH231706 -4.282 -3.838 1.145 + 8466TIP3 H131707 -4.200 -3.880 1.116 + 8466TIP3 H231708 -4.347 -3.910 1.145 + 8467TIP3 OH231709 -2.462 -4.294 1.315 + 8467TIP3 H131710 -2.403 -4.363 1.280 + 8467TIP3 H231711 -2.476 -4.232 1.241 + 8468TIP3 OH231712 -2.734 -4.098 -0.052 + 8468TIP3 H131713 -2.709 -4.148 0.028 + 8468TIP3 H231714 -2.796 -4.160 -0.094 + 8469TIP3 OH231715 -4.194 -3.989 0.437 + 8469TIP3 H131716 -4.160 -4.081 0.443 + 8469TIP3 H231717 -4.114 -3.938 0.457 + 8470TIP3 OH231718 -4.333 -3.727 0.527 + 8470TIP3 H131719 -4.294 -3.779 0.455 + 8470TIP3 H231720 -4.313 -3.637 0.498 + 8471TIP3 OH231721 -2.535 -4.102 1.128 + 8471TIP3 H131722 -2.623 -4.061 1.123 + 8471TIP3 H231723 -2.529 -4.140 1.040 + 8472TIP3 OH231724 -2.521 -4.058 -0.391 + 8472TIP3 H131725 -2.501 -4.142 -0.436 + 8472TIP3 H231726 -2.435 -4.014 -0.388 + 8473TIP3 OH231727 -4.316 -4.108 -0.116 + 8473TIP3 H131728 -4.398 -4.079 -0.157 + 8473TIP3 H231729 -4.254 -4.040 -0.152 + 8474TIP3 OH231730 -2.828 -2.568 0.133 + 8474TIP3 H131731 -2.781 -2.592 0.051 + 8474TIP3 H231732 -2.757 -2.527 0.184 + 8475TIP3 OH231733 -4.292 -4.164 0.719 + 8475TIP3 H131734 -4.350 -4.225 0.769 + 8475TIP3 H231735 -4.328 -4.167 0.630 + 8476TIP3 OH231736 -4.120 -2.861 1.182 + 8476TIP3 H131737 -4.168 -2.926 1.130 + 8476TIP3 H231738 -4.134 -2.896 1.273 + 8477TIP3 OH231739 -3.802 -2.796 0.774 + 8477TIP3 H131740 -3.832 -2.713 0.734 + 8477TIP3 H231741 -3.706 -2.788 0.756 + 8478TIP3 OH231742 -3.353 -2.667 1.073 + 8478TIP3 H131743 -3.335 -2.684 1.167 + 8478TIP3 H231744 -3.270 -2.622 1.046 + 8479TIP3 OH231745 -3.125 -2.523 0.997 + 8479TIP3 H131746 -3.054 -2.584 0.972 + 8479TIP3 H231747 -3.092 -2.490 1.083 + 8480TIP3 OH231748 -2.677 -4.282 0.919 + 8480TIP3 H131749 -2.710 -4.210 0.863 + 8480TIP3 H231750 -2.663 -4.351 0.852 + 8481TIP3 OH231751 -4.070 -2.492 0.798 + 8481TIP3 H131752 -4.137 -2.441 0.749 + 8481TIP3 H231753 -4.102 -2.485 0.888 + 8482TIP3 OH231754 -3.819 -2.526 0.661 + 8482TIP3 H131755 -3.905 -2.506 0.702 + 8482TIP3 H231756 -3.813 -2.458 0.591 + 8483TIP3 OH231757 -3.343 -2.526 0.617 + 8483TIP3 H131758 -3.377 -2.480 0.538 + 8483TIP3 H231759 -3.331 -2.451 0.678 + 8484TIP3 OH231760 -3.109 -2.655 0.709 + 8484TIP3 H131761 -3.192 -2.617 0.675 + 8484TIP3 H231762 -3.049 -2.578 0.705 + 8485TIP3 OH231763 -2.859 -2.482 0.725 + 8485TIP3 H131764 -2.859 -2.386 0.705 + 8485TIP3 H231765 -2.826 -2.517 0.641 + 8486TIP3 OH231766 -4.124 -2.615 0.495 + 8486TIP3 H131767 -4.133 -2.662 0.581 + 8486TIP3 H231768 -4.049 -2.664 0.456 + 8487TIP3 OH231769 -3.911 -2.743 0.347 + 8487TIP3 H131770 -3.926 -2.836 0.372 + 8487TIP3 H231771 -3.819 -2.728 0.378 + 8488TIP3 OH231772 -3.632 -2.702 0.432 + 8488TIP3 H131773 -3.612 -2.794 0.409 + 8488TIP3 H231774 -3.622 -2.705 0.528 + 8489TIP3 OH231775 -3.300 -4.112 0.361 + 8489TIP3 H131776 -3.362 -4.182 0.389 + 8489TIP3 H231777 -3.240 -4.161 0.303 + 8490TIP3 OH231778 -2.772 -4.334 0.404 + 8490TIP3 H131779 -2.712 -4.288 0.342 + 8490TIP3 H231780 -2.859 -4.304 0.375 + 8491TIP3 OH231781 -2.575 -4.227 0.188 + 8491TIP3 H131782 -2.522 -4.242 0.109 + 8491TIP3 H231783 -2.556 -4.132 0.205 + 8492TIP3 OH231784 -4.073 -4.281 0.095 + 8492TIP3 H131785 -4.160 -4.314 0.069 + 8492TIP3 H231786 -4.029 -4.361 0.125 + 8493TIP3 OH231787 -4.205 -4.300 -0.300 + 8493TIP3 H131788 -4.170 -4.233 -0.361 + 8493TIP3 H231789 -4.259 -4.246 -0.240 + 8494TIP3 OH231790 -3.614 -4.219 0.125 + 8494TIP3 H131791 -3.522 -4.234 0.098 + 8494TIP3 H231792 -3.635 -4.298 0.176 + 8495TIP3 OH231793 -3.060 -4.265 0.256 + 8495TIP3 H131794 -3.026 -4.261 0.166 + 8495TIP3 H231795 -3.072 -4.359 0.271 + 8496TIP3 OH231796 -2.950 -4.272 -0.148 + 8496TIP3 H131797 -3.024 -4.212 -0.167 + 8496TIP3 H231798 -2.991 -4.360 -0.152 + 8497TIP3 OH231799 -4.189 -2.692 -0.198 + 8497TIP3 H131800 -4.250 -2.711 -0.270 + 8497TIP3 H231801 -4.182 -2.595 -0.202 + 8498TIP3 OH231802 -4.008 -4.111 -0.444 + 8498TIP3 H131803 -3.943 -4.158 -0.498 + 8498TIP3 H231804 -3.951 -4.070 -0.377 + 8499TIP3 OH231805 -3.492 -4.059 -0.210 + 8499TIP3 H131806 -3.482 -4.143 -0.161 + 8499TIP3 H231807 -3.470 -3.991 -0.143 + 8500TIP3 OH231808 -3.296 -2.513 -0.366 + 8500TIP3 H131809 -3.198 -2.511 -0.370 + 8500TIP3 H231810 -3.314 -2.580 -0.435 + 8501TIP3 OH231811 -2.648 -2.609 -0.103 + 8501TIP3 H131812 -2.665 -2.692 -0.150 + 8501TIP3 H231813 -2.638 -2.547 -0.177 + 8502TIP3 OH231814 -4.110 -4.176 1.039 + 8502TIP3 H131815 -4.159 -4.245 1.088 + 8502TIP3 H231816 -4.027 -4.224 1.024 + 8503TIP3 OH231817 -3.808 -4.277 1.299 + 8503TIP3 H131818 -3.722 -4.303 1.259 + 8503TIP3 H231819 -3.828 -4.355 1.352 + 8504TIP3 OH231820 -4.012 -2.592 -0.500 + 8504TIP3 H131821 -4.039 -2.576 -0.409 + 8504TIP3 H231822 -3.941 -2.658 -0.488 + 8505TIP3 OH231823 -2.697 -2.735 1.133 + 8505TIP3 H131824 -2.768 -2.752 1.069 + 8505TIP3 H231825 -2.710 -2.640 1.149 + 8506TIP3 OH231826 -1.276 -3.367 0.144 + 8506TIP3 H131827 -1.274 -3.270 0.154 + 8506TIP3 H231828 -1.352 -3.378 0.086 + 8507TIP3 OH231829 -1.383 -3.424 0.450 + 8507TIP3 H131830 -1.395 -3.478 0.530 + 8507TIP3 H231831 -1.417 -3.483 0.380 + 8508TIP3 OH231832 -2.155 -3.474 0.643 + 8508TIP3 H131833 -2.132 -3.561 0.680 + 8508TIP3 H231834 -2.068 -3.432 0.642 + 8509TIP3 OH231835 -1.018 -3.152 0.281 + 8509TIP3 H131836 -1.059 -3.217 0.339 + 8509TIP3 H231837 -0.995 -3.082 0.344 + 8510TIP3 OH231838 -2.076 -3.005 0.472 + 8510TIP3 H131839 -2.097 -3.097 0.449 + 8510TIP3 H231840 -1.980 -3.012 0.486 + 8511TIP3 OH231841 -2.382 -3.665 0.007 + 8511TIP3 H131842 -2.415 -3.575 0.018 + 8511TIP3 H231843 -2.456 -3.707 -0.040 + 8512TIP3 OH231844 -2.290 -3.433 0.208 + 8512TIP3 H131845 -2.267 -3.514 0.257 + 8512TIP3 H231846 -2.209 -3.418 0.156 + 8513TIP3 OH231847 -1.324 -2.624 0.336 + 8513TIP3 H131848 -1.250 -2.682 0.310 + 8513TIP3 H231849 -1.339 -2.650 0.428 + 8514TIP3 OH231850 -1.541 -3.172 0.509 + 8514TIP3 H131851 -1.508 -3.239 0.448 + 8514TIP3 H231852 -1.458 -3.155 0.558 + 8515TIP3 OH231853 -0.685 -4.018 0.565 + 8515TIP3 H131854 -0.652 -3.972 0.643 + 8515TIP3 H231855 -0.621 -3.989 0.498 + 8516TIP3 OH231856 -1.214 -3.740 0.562 + 8516TIP3 H131857 -1.192 -3.835 0.559 + 8516TIP3 H231858 -1.219 -3.719 0.468 + 8517TIP3 OH231859 -1.907 -3.944 0.286 + 8517TIP3 H131860 -1.915 -3.849 0.268 + 8517TIP3 H231861 -1.960 -3.982 0.214 + 8518TIP3 OH231862 -1.125 -3.923 0.102 + 8518TIP3 H131863 -1.063 -3.964 0.165 + 8518TIP3 H231864 -1.065 -3.876 0.043 + 8519TIP3 OH231865 -2.208 -3.681 0.340 + 8519TIP3 H131866 -2.148 -3.731 0.397 + 8519TIP3 H231867 -2.205 -3.733 0.258 + 8520TIP3 OH231868 -1.711 -3.524 0.265 + 8520TIP3 H131869 -1.640 -3.578 0.304 + 8520TIP3 H231870 -1.760 -3.590 0.214 + 8521TIP3 OH231871 -0.590 -3.847 0.831 + 8521TIP3 H131872 -0.664 -3.795 0.795 + 8521TIP3 H231873 -0.631 -3.890 0.907 + 8522TIP3 OH231874 -1.289 -3.086 0.023 + 8522TIP3 H131875 -1.310 -3.098 -0.070 + 8522TIP3 H231876 -1.328 -2.999 0.042 + 8523TIP3 OH231877 -1.738 -3.272 0.696 + 8523TIP3 H131878 -1.813 -3.212 0.716 + 8523TIP3 H231879 -1.678 -3.213 0.646 + 8524TIP3 OH231880 -0.937 -4.016 0.306 + 8524TIP3 H131881 -0.988 -4.057 0.377 + 8524TIP3 H231882 -0.885 -3.951 0.355 + 8525TIP3 OH231883 -1.943 -3.083 0.773 + 8525TIP3 H131884 -1.943 -2.994 0.733 + 8525TIP3 H231885 -2.030 -3.082 0.816 + 8526TIP3 OH231886 -2.314 -3.111 -0.144 + 8526TIP3 H131887 -2.327 -3.061 -0.226 + 8526TIP3 H231888 -2.293 -3.041 -0.078 + 8527TIP3 OH231889 -0.966 -2.966 0.534 + 8527TIP3 H131890 -1.062 -2.953 0.533 + 8527TIP3 H231891 -0.936 -2.882 0.495 + 8528TIP3 OH231892 -0.923 -4.111 0.705 + 8528TIP3 H131893 -1.003 -4.077 0.661 + 8528TIP3 H231894 -0.855 -4.096 0.636 + 8529TIP3 OH231895 -1.633 4.383 0.401 + 8529TIP3 H131896 -1.627 4.291 0.429 + 8529TIP3 H231897 -1.708 4.420 0.450 + 8530TIP3 OH231898 -1.116 -2.772 0.204 + 8530TIP3 H131899 -1.083 -2.845 0.149 + 8530TIP3 H231900 -1.102 -2.695 0.148 + 8531TIP3 OH231901 -0.986 -2.978 0.040 + 8531TIP3 H131902 -1.030 -3.028 -0.030 + 8531TIP3 H231903 -0.988 -3.041 0.114 + 8532TIP3 OH231904 -0.835 -3.106 0.901 + 8532TIP3 H131905 -0.846 -3.167 0.826 + 8532TIP3 H231906 -0.826 -3.020 0.855 + 8533TIP3 OH231907 -1.413 -3.417 -0.132 + 8533TIP3 H131908 -1.477 -3.351 -0.166 + 8533TIP3 H231909 -1.339 -3.406 -0.193 + 8534TIP3 OH231910 -1.380 -3.598 -0.424 + 8534TIP3 H131911 -1.313 -3.565 -0.362 + 8534TIP3 H231912 -1.325 -3.652 -0.483 + 8535TIP3 OH231913 -0.661 -3.488 0.695 + 8535TIP3 H131914 -0.733 -3.422 0.701 + 8535TIP3 H231915 -0.612 -3.454 0.617 + 8536TIP3 OH231916 -1.060 -3.418 -0.022 + 8536TIP3 H131917 -1.127 -3.391 0.045 + 8536TIP3 H231918 -0.998 -3.470 0.032 + 8537TIP3 OH231919 -1.078 -3.562 0.861 + 8537TIP3 H131920 -1.069 -3.480 0.913 + 8537TIP3 H231921 -1.140 -3.530 0.793 + 8538TIP3 OH231922 -1.905 -3.340 0.160 + 8538TIP3 H131923 -1.932 -3.381 0.075 + 8538TIP3 H231924 -1.834 -3.400 0.189 + 8539TIP3 OH231925 -1.768 -3.004 0.432 + 8539TIP3 H131926 -1.773 -3.033 0.340 + 8539TIP3 H231927 -1.684 -3.044 0.462 + 8540TIP3 OH231928 -1.850 -3.480 0.514 + 8540TIP3 H131929 -1.794 -3.474 0.435 + 8540TIP3 H231930 -1.809 -3.417 0.575 + 8541TIP3 OH231931 -1.247 -2.905 0.563 + 8541TIP3 H131932 -1.244 -2.835 0.629 + 8541TIP3 H231933 -1.267 -2.986 0.614 + 8542TIP3 OH231934 -1.758 -3.028 0.994 + 8542TIP3 H131935 -1.809 -2.956 1.034 + 8542TIP3 H231936 -1.817 -3.054 0.920 + 8543TIP3 OH231937 -1.161 -3.474 -0.276 + 8543TIP3 H131938 -1.116 -3.442 -0.194 + 8543TIP3 H231939 -1.113 -3.420 -0.344 + 8544TIP3 OH231940 -2.040 -3.417 0.916 + 8544TIP3 H131941 -2.042 -3.347 0.982 + 8544TIP3 H231942 -2.130 -3.414 0.881 + 8545TIP3 OH231943 -1.420 -2.814 0.088 + 8545TIP3 H131944 -1.366 -2.773 0.157 + 8545TIP3 H231945 -1.454 -2.737 0.041 + 8546TIP3 OH231946 -1.944 -2.807 1.072 + 8546TIP3 H131947 -1.952 -2.797 0.975 + 8546TIP3 H231948 -2.034 -2.833 1.098 + 8547TIP3 OH231949 -0.844 -4.323 -0.355 + 8547TIP3 H131950 -0.885 -4.323 -0.267 + 8547TIP3 H231951 -0.766 -4.268 -0.337 + 8548TIP3 OH231952 -2.006 -3.463 -0.091 + 8548TIP3 H131953 -2.026 -3.387 -0.148 + 8548TIP3 H231954 -2.073 -3.527 -0.120 + 8549TIP3 OH231955 -0.685 -2.844 -0.456 + 8549TIP3 H131956 -0.663 -2.753 -0.435 + 8549TIP3 H231957 -0.604 -2.892 -0.431 + 8550TIP3 OH231958 -2.403 -3.195 0.783 + 8550TIP3 H131959 -2.443 -3.196 0.694 + 8550TIP3 H231960 -2.387 -3.290 0.798 + 8551TIP3 OH231961 -2.396 -2.906 0.476 + 8551TIP3 H131962 -2.303 -2.931 0.479 + 8551TIP3 H231963 -2.399 -2.840 0.548 + 8552TIP3 OH231964 -0.557 -2.842 1.056 + 8552TIP3 H131965 -0.569 -2.935 1.033 + 8552TIP3 H231966 -0.649 -2.817 1.081 + 8553TIP3 OH231967 -1.491 -2.922 0.935 + 8553TIP3 H131968 -1.485 -2.837 0.983 + 8553TIP3 H231969 -1.583 -2.948 0.953 + 8554TIP3 OH231970 -2.074 -2.631 0.088 + 8554TIP3 H131971 -2.066 -2.667 0.178 + 8554TIP3 H231972 -2.165 -2.654 0.065 + 8555TIP3 OH231973 -0.879 -3.710 1.093 + 8555TIP3 H131974 -0.927 -3.667 1.020 + 8555TIP3 H231975 -0.871 -3.801 1.060 + 8556TIP3 OH231976 -2.184 -3.040 0.909 + 8556TIP3 H131977 -2.154 -3.092 0.986 + 8556TIP3 H231978 -2.256 -3.094 0.873 + 8557TIP3 OH231979 -1.876 -4.194 0.532 + 8557TIP3 H131980 -1.952 -4.218 0.478 + 8557TIP3 H231981 -1.896 -4.100 0.548 + 8558TIP3 OH231982 -1.406 -4.264 0.854 + 8558TIP3 H131983 -1.390 -4.310 0.937 + 8558TIP3 H231984 -1.502 -4.275 0.844 + 8559TIP3 OH231985 -1.110 -3.865 0.897 + 8559TIP3 H131986 -1.166 -3.873 0.976 + 8559TIP3 H231987 -1.112 -3.770 0.877 + 8560TIP3 OH231988 -1.013 -3.364 -0.479 + 8560TIP3 H131989 -1.026 -3.380 -0.574 + 8560TIP3 H231990 -0.921 -3.331 -0.479 + 8561TIP3 OH231991 -1.442 -3.995 -0.431 + 8561TIP3 H131992 -1.498 -4.003 -0.350 + 8561TIP3 H231993 -1.493 -4.055 -0.490 + 8562TIP3 OH231994 -1.881 -3.704 0.112 + 8562TIP3 H131995 -1.976 -3.718 0.099 + 8562TIP3 H231996 -1.846 -3.730 0.025 + 8563TIP3 OH231997 -1.323 -3.653 -0.013 + 8563TIP3 H131998 -1.363 -3.569 -0.044 + 8563TIP3 H231999 -1.254 -3.666 -0.080 + 8564TIP3 OH232000 -1.408 -3.630 1.128 + 8564TIP3 H132001 -1.456 -3.709 1.157 + 8564TIP3 H232002 -1.319 -3.644 1.166 + 8565TIP3 OH232003 -1.234 -3.712 0.268 + 8565TIP3 H132004 -1.265 -3.652 0.197 + 8565TIP3 H232005 -1.214 -3.791 0.214 + 8566TIP3 OH232006 -1.804 -3.947 -0.535 + 8566TIP3 H132007 -1.840 -3.980 -0.451 + 8566TIP3 H232008 -1.883 -3.926 -0.586 + 8567TIP3 OH232009 -2.460 -3.969 0.177 + 8567TIP3 H132010 -2.398 -3.949 0.249 + 8567TIP3 H232011 -2.402 -3.989 0.103 + 8568TIP3 OH232012 -2.301 -3.912 -0.258 + 8568TIP3 H132013 -2.246 -3.861 -0.321 + 8568TIP3 H232014 -2.371 -3.846 -0.240 + 8569TIP3 OH232015 -1.334 -3.543 0.714 + 8569TIP3 H132016 -1.286 -3.613 0.663 + 8569TIP3 H232017 -1.360 -3.591 0.794 + 8570TIP3 OH232018 -1.628 -3.953 0.213 + 8570TIP3 H132019 -1.722 -3.950 0.241 + 8570TIP3 H232020 -1.583 -3.965 0.299 + 8571TIP3 OH232021 -2.151 -3.826 0.084 + 8571TIP3 H132022 -2.230 -3.794 0.037 + 8571TIP3 H232023 -2.122 -3.904 0.033 + 8572TIP3 OH232024 -1.785 -3.795 -0.152 + 8572TIP3 H132025 -1.689 -3.782 -0.146 + 8572TIP3 H232026 -1.811 -3.733 -0.222 + 8573TIP3 OH232027 -1.171 -4.035 0.515 + 8573TIP3 H132028 -1.235 -4.035 0.589 + 8573TIP3 H232029 -1.229 -4.062 0.442 + 8574TIP3 OH232030 -1.939 -3.674 -0.374 + 8574TIP3 H132031 -1.996 -3.695 -0.450 + 8574TIP3 H232032 -1.858 -3.647 -0.420 + 8575TIP3 OH232033 -0.862 -2.460 1.181 + 8575TIP3 H132034 -0.848 -2.409 1.099 + 8575TIP3 H232035 -0.794 -2.422 1.239 + 8576TIP3 OH232036 -2.072 -3.198 1.123 + 8576TIP3 H132037 -2.006 -3.183 1.193 + 8576TIP3 H232038 -2.154 -3.197 1.176 + 8577TIP3 OH232039 -1.504 -3.697 0.395 + 8577TIP3 H132040 -1.427 -3.740 0.355 + 8577TIP3 H232041 -1.525 -3.756 0.469 + 8578TIP3 OH232042 -1.988 -4.061 0.022 + 8578TIP3 H132043 -2.028 -4.148 0.034 + 8578TIP3 H232044 -1.902 -4.083 -0.016 + 8579TIP3 OH232045 -1.641 -3.837 0.634 + 8579TIP3 H132046 -1.719 -3.780 0.628 + 8579TIP3 H232047 -1.591 -3.799 0.710 + 8580TIP3 OH232048 -1.593 -3.209 -0.190 + 8580TIP3 H132049 -1.671 -3.257 -0.225 + 8580TIP3 H232050 -1.612 -3.203 -0.094 + 8581TIP3 OH232051 -0.870 -3.295 0.684 + 8581TIP3 H132052 -0.820 -3.239 0.621 + 8581TIP3 H232053 -0.955 -3.305 0.638 + 8582TIP3 OH232054 -1.174 -3.932 -0.427 + 8582TIP3 H132055 -1.273 -3.937 -0.425 + 8582TIP3 H232056 -1.155 -3.862 -0.361 + 8583TIP3 OH232057 -1.432 -3.211 0.945 + 8583TIP3 H132058 -1.457 -3.234 1.036 + 8583TIP3 H232059 -1.456 -3.118 0.939 + 8584TIP3 OH232060 -1.110 -3.750 -0.214 + 8584TIP3 H132061 -1.023 -3.761 -0.170 + 8584TIP3 H232062 -1.103 -3.658 -0.249 + 8585TIP3 OH232063 -2.068 -3.287 0.403 + 8585TIP3 H132064 -2.017 -3.288 0.320 + 8585TIP3 H232065 -2.056 -3.378 0.433 + 8586TIP3 OH232066 -1.352 -3.070 -0.293 + 8586TIP3 H132067 -1.377 -2.980 -0.263 + 8586TIP3 H232068 -1.431 -3.121 -0.268 + 8587TIP3 OH232069 -2.363 -3.441 0.927 + 8587TIP3 H132070 -2.337 -3.497 1.002 + 8587TIP3 H232071 -2.411 -3.502 0.869 + 8588TIP3 OH232072 -1.695 -3.541 1.086 + 8588TIP3 H132073 -1.692 -3.514 0.991 + 8588TIP3 H232074 -1.599 -3.536 1.103 + 8589TIP3 OH232075 -1.203 -2.963 0.896 + 8589TIP3 H132076 -1.297 -2.941 0.883 + 8589TIP3 H232077 -1.184 -2.921 0.981 + 8590TIP3 OH232078 -0.648 -3.745 -0.233 + 8590TIP3 H132079 -0.705 -3.762 -0.310 + 8590TIP3 H232080 -0.637 -3.648 -0.245 + 8591TIP3 OH232081 -0.604 -3.144 1.048 + 8591TIP3 H132082 -0.697 -3.119 1.028 + 8591TIP3 H232083 -0.569 -3.158 0.957 + 8592TIP3 OH232084 -1.106 -3.353 0.519 + 8592TIP3 H132085 -1.198 -3.365 0.490 + 8592TIP3 H232086 -1.061 -3.421 0.465 + 8593TIP3 OH232087 -1.841 -2.937 0.120 + 8593TIP3 H132088 -1.793 -2.854 0.104 + 8593TIP3 H232089 -1.930 -2.913 0.090 + 8594TIP3 OH232090 -2.241 -3.463 -0.419 + 8594TIP3 H132091 -2.182 -3.395 -0.380 + 8594TIP3 H232092 -2.328 -3.432 -0.389 + 8595TIP3 OH232093 -1.659 -3.174 0.081 + 8595TIP3 H132094 -1.681 -3.081 0.095 + 8595TIP3 H232095 -1.732 -3.219 0.126 + 8596TIP3 OH232096 -1.640 -2.747 0.718 + 8596TIP3 H132097 -1.589 -2.671 0.683 + 8596TIP3 H232098 -1.572 -2.793 0.769 + 8597TIP3 OH232099 -1.793 -2.643 0.032 + 8597TIP3 H132100 -1.889 -2.628 0.042 + 8597TIP3 H232101 -1.755 -2.565 0.075 + 8598TIP3 OH232102 -1.299 -3.173 0.673 + 8598TIP3 H132103 -1.327 -3.200 0.762 + 8598TIP3 H232104 -1.225 -3.233 0.654 + 8599TIP3 OH232105 -1.082 -3.025 -0.440 + 8599TIP3 H132106 -1.035 -3.068 -0.367 + 8599TIP3 H232107 -1.173 -3.040 -0.410 + 8600TIP3 OH232108 -1.006 -2.715 0.911 + 8600TIP3 H132109 -1.081 -2.754 0.864 + 8600TIP3 H232110 -0.991 -2.634 0.859 + 8601TIP3 OH232111 -0.989 -3.179 -0.201 + 8601TIP3 H132112 -1.008 -3.250 -0.138 + 8601TIP3 H232113 -0.893 -3.168 -0.193 + 8602TIP3 OH232114 -2.249 -2.802 0.722 + 8602TIP3 H132115 -2.213 -2.891 0.736 + 8602TIP3 H232116 -2.219 -2.758 0.803 + 8603TIP3 OH232117 -1.655 -2.930 -0.595 + 8603TIP3 H132118 -1.624 -3.017 -0.625 + 8603TIP3 H232119 -1.699 -2.951 -0.511 + 8604TIP3 OH232120 -1.779 -2.975 -0.295 + 8604TIP3 H132121 -1.719 -3.025 -0.238 + 8604TIP3 H232122 -1.753 -2.882 -0.276 + 8605TIP3 OH232123 -2.092 -3.242 -0.267 + 8605TIP3 H132124 -2.163 -3.201 -0.213 + 8605TIP3 H232125 -2.044 -3.162 -0.296 + 8606TIP3 OH232126 -1.334 -4.006 0.744 + 8606TIP3 H132127 -1.266 -3.981 0.809 + 8606TIP3 H232128 -1.367 -4.091 0.777 + 8607TIP3 OH232129 -1.248 -4.058 -0.141 + 8607TIP3 H132130 -1.245 -3.998 -0.217 + 8607TIP3 H232131 -1.215 -4.001 -0.070 + 8608TIP3 OH232132 -1.481 -2.813 -0.240 + 8608TIP3 H132133 -1.559 -2.755 -0.234 + 8608TIP3 H232134 -1.434 -2.771 -0.314 + 8609TIP3 OH232135 -1.514 -3.858 -0.037 + 8609TIP3 H132136 -1.445 -3.790 -0.025 + 8609TIP3 H232137 -1.551 -3.865 0.053 + 8610TIP3 OH232138 -1.496 -3.763 0.874 + 8610TIP3 H132139 -1.472 -3.709 0.951 + 8610TIP3 H232140 -1.429 -3.833 0.875 + 8611TIP3 OH232141 -1.449 -4.171 0.059 + 8611TIP3 H132142 -1.481 -4.095 0.110 + 8611TIP3 H232143 -1.392 -4.127 -0.007 + 8612TIP3 OH232144 -1.748 -2.691 -0.260 + 8612TIP3 H132145 -1.747 -2.606 -0.307 + 8612TIP3 H232146 -1.773 -2.663 -0.170 + 8613TIP3 OH232147 -1.893 -4.050 -0.286 + 8613TIP3 H132148 -1.888 -3.966 -0.237 + 8613TIP3 H232149 -1.805 -4.087 -0.265 + 8614TIP3 OH232150 -0.846 -3.963 0.953 + 8614TIP3 H132151 -0.943 -3.952 0.943 + 8614TIP3 H232152 -0.824 -3.988 0.862 + 8615TIP3 OH232153 -1.004 -3.574 0.364 + 8615TIP3 H132154 -1.086 -3.618 0.335 + 8615TIP3 H232155 -0.955 -3.646 0.409 + 8616TIP3 OH232156 -2.052 -2.967 -0.390 + 8616TIP3 H132157 -1.984 -2.909 -0.350 + 8616TIP3 H232158 -1.997 -3.011 -0.456 + 8617TIP3 OH232159 -2.235 -3.746 -0.479 + 8617TIP3 H132160 -2.219 -3.652 -0.457 + 8617TIP3 H232161 -2.321 -3.741 -0.521 + 8618TIP3 OH232162 -0.900 -2.685 0.506 + 8618TIP3 H132163 -0.919 -2.609 0.448 + 8618TIP3 H232164 -0.805 -2.669 0.523 + 8619TIP3 OH232165 -2.218 -4.248 0.410 + 8619TIP3 H132166 -2.177 -4.242 0.323 + 8619TIP3 H232167 -2.196 -4.337 0.438 + 8620TIP3 OH232168 -2.257 -2.891 0.022 + 8620TIP3 H132169 -2.328 -2.833 0.050 + 8620TIP3 H232170 -2.210 -2.834 -0.041 + 8621TIP3 OH232171 -2.311 -2.599 1.144 + 8621TIP3 H132172 -2.254 -2.627 1.218 + 8621TIP3 H232173 -2.349 -2.683 1.113 + 8622TIP3 OH232174 -1.814 -2.692 1.341 + 8622TIP3 H132175 -1.763 -2.775 1.337 + 8622TIP3 H232176 -1.855 -2.696 1.253 + 8623TIP3 OH232177 -1.425 -2.776 -0.508 + 8623TIP3 H132178 -1.505 -2.818 -0.546 + 8623TIP3 H232179 -1.358 -2.795 -0.575 + 8624TIP3 OH232180 -1.205 -2.853 1.190 + 8624TIP3 H132181 -1.237 -2.940 1.219 + 8624TIP3 H232182 -1.127 -2.839 1.246 + 8625TIP3 OH232183 -2.316 -3.236 1.256 + 8625TIP3 H132184 -2.304 -3.323 1.215 + 8625TIP3 H232185 -2.392 -3.203 1.204 + 8626TIP3 OH232186 -1.895 -3.195 -0.544 + 8626TIP3 H132187 -1.876 -3.252 -0.467 + 8626TIP3 H232188 -1.808 -3.191 -0.586 + 8627TIP3 OH232189 -1.660 -3.221 1.190 + 8627TIP3 H132190 -1.684 -3.180 1.105 + 8627TIP3 H232191 -1.648 -3.314 1.166 + 8628TIP3 OH232192 -1.369 -3.061 -0.591 + 8628TIP3 H132193 -1.376 -3.052 -0.494 + 8628TIP3 H232194 -1.375 -3.158 -0.601 + 8629TIP3 OH232195 -1.116 -3.252 0.929 + 8629TIP3 H132196 -1.037 -3.202 0.907 + 8629TIP3 H232197 -1.183 -3.182 0.924 + 8630TIP3 OH232198 -2.208 -3.526 1.173 + 8630TIP3 H132199 -2.198 -3.621 1.181 + 8630TIP3 H232200 -2.228 -3.500 1.264 + 8631TIP3 OH232201 -1.788 -3.385 -0.311 + 8631TIP3 H132202 -1.846 -3.437 -0.254 + 8631TIP3 H232203 -1.756 -3.454 -0.374 + 8632TIP3 OH232204 -1.692 -3.585 -0.485 + 8632TIP3 H132205 -1.695 -3.573 -0.581 + 8632TIP3 H232206 -1.595 -3.586 -0.469 + 8633TIP3 OH232207 -1.334 -3.337 1.273 + 8633TIP3 H132208 -1.245 -3.352 1.238 + 8633TIP3 H232209 -1.354 -3.424 1.310 + 8634TIP3 OH232210 -0.743 -3.328 -0.554 + 8634TIP3 H132211 -0.752 -3.362 -0.644 + 8634TIP3 H232212 -0.746 -3.232 -0.569 + 8635TIP3 OH232213 -1.773 -4.032 0.801 + 8635TIP3 H132214 -1.719 -3.977 0.741 + 8635TIP3 H232215 -1.863 -4.006 0.770 + 8636TIP3 OH232216 -1.620 -3.488 0.826 + 8636TIP3 H132217 -1.542 -3.499 0.770 + 8636TIP3 H232218 -1.661 -3.409 0.785 + 8637TIP3 OH232219 -1.161 -3.693 1.295 + 8637TIP3 H132220 -1.137 -3.786 1.304 + 8637TIP3 H232221 -1.074 -3.651 1.286 + 8638TIP3 OH232222 -1.062 -3.416 1.141 + 8638TIP3 H132223 -1.096 -3.353 1.073 + 8638TIP3 H232224 -0.971 -3.428 1.107 + 8639TIP3 OH232225 -1.696 -4.293 0.869 + 8639TIP3 H132226 -1.718 -4.198 0.853 + 8639TIP3 H232227 -1.773 -4.336 0.828 + 8640TIP3 OH232228 -1.593 -3.843 1.176 + 8640TIP3 H132229 -1.609 -3.871 1.268 + 8640TIP3 H232230 -1.651 -3.906 1.130 + 8641TIP3 OH232231 -1.311 -3.940 1.091 + 8641TIP3 H132232 -1.404 -3.936 1.120 + 8641TIP3 H232233 -1.275 -4.009 1.149 + 8642TIP3 OH232234 -1.143 -4.136 1.251 + 8642TIP3 H132235 -1.154 -4.224 1.290 + 8642TIP3 H232236 -1.154 -4.077 1.328 + 8643TIP3 OH232237 -2.075 -3.942 1.176 + 8643TIP3 H132238 -2.115 -4.008 1.116 + 8643TIP3 H232239 -2.125 -3.961 1.257 + 8644TIP3 OH232240 -1.614 -4.140 1.289 + 8644TIP3 H132241 -1.626 -4.228 1.249 + 8644TIP3 H232242 -1.705 -4.113 1.306 + 8645TIP3 OH232243 -2.324 -3.020 -0.422 + 8645TIP3 H132244 -2.228 -3.001 -0.406 + 8645TIP3 H232245 -2.320 -3.099 -0.479 + 8646TIP3 OH232246 -2.417 -2.499 0.057 + 8646TIP3 H132247 -2.488 -2.536 0.002 + 8646TIP3 H232248 -2.405 -2.568 0.125 + 8647TIP3 OH232249 -2.386 -2.701 0.252 + 8647TIP3 H132250 -2.413 -2.788 0.286 + 8647TIP3 H232251 -2.347 -2.663 0.333 + 8648TIP3 OH232252 -0.623 -2.592 0.553 + 8648TIP3 H132253 -0.619 -2.564 0.646 + 8648TIP3 H232254 -0.555 -2.534 0.516 + 8649TIP3 OH232255 -0.645 -2.626 0.848 + 8649TIP3 H132256 -0.689 -2.698 0.801 + 8649TIP3 H232257 -0.585 -2.675 0.906 + 8650TIP3 OH232258 -0.841 -3.085 1.272 + 8650TIP3 H132259 -0.930 -3.074 1.310 + 8650TIP3 H232260 -0.796 -3.003 1.296 + 8651TIP3 OH232261 -0.697 -3.207 -0.163 + 8651TIP3 H132262 -0.612 -3.162 -0.147 + 8651TIP3 H232263 -0.705 -3.261 -0.083 + 8652TIP3 OH232264 -0.653 -3.401 0.041 + 8652TIP3 H132265 -0.721 -3.457 0.085 + 8652TIP3 H232266 -0.586 -3.387 0.110 + 8653TIP3 OH232267 -0.681 -3.150 0.540 + 8653TIP3 H132268 -0.620 -3.195 0.480 + 8653TIP3 H232269 -0.672 -3.057 0.510 + 8654TIP3 OH232270 -0.811 -2.864 0.765 + 8654TIP3 H132271 -0.882 -2.814 0.809 + 8654TIP3 H232272 -0.855 -2.891 0.682 + 8655TIP3 OH232273 -0.630 -3.454 -0.303 + 8655TIP3 H132274 -0.680 -3.423 -0.381 + 8655TIP3 H232275 -0.644 -3.378 -0.243 + 8656TIP3 OH232276 -0.801 -3.701 -0.476 + 8656TIP3 H132277 -0.776 -3.635 -0.543 + 8656TIP3 H232278 -0.825 -3.778 -0.530 + 8657TIP3 OH232279 -0.858 -3.585 0.123 + 8657TIP3 H132280 -0.870 -3.680 0.104 + 8657TIP3 H232281 -0.899 -3.576 0.211 + 8658TIP3 OH232282 -2.373 -3.363 0.495 + 8658TIP3 H132283 -2.345 -3.363 0.401 + 8658TIP3 H232284 -2.289 -3.388 0.539 + 8659TIP3 OH232285 -0.801 -3.393 1.038 + 8659TIP3 H132286 -0.725 -3.452 1.052 + 8659TIP3 H232287 -0.759 -3.309 1.014 + 8660TIP3 OH232288 -0.645 -3.585 1.160 + 8660TIP3 H132289 -0.724 -3.637 1.135 + 8660TIP3 H232290 -0.575 -3.652 1.156 + 8661TIP3 OH232291 -0.859 -3.972 -0.563 + 8661TIP3 H132292 -0.800 -4.012 -0.496 + 8661TIP3 H232293 -0.942 -4.018 -0.548 + 8662TIP3 OH232294 -0.878 -3.827 -0.058 + 8662TIP3 H132295 -0.860 -3.924 -0.054 + 8662TIP3 H232296 -0.797 -3.795 -0.101 + 8663TIP3 OH232297 -0.853 -3.776 0.479 + 8663TIP3 H132298 -0.755 -3.767 0.476 + 8663TIP3 H232299 -0.866 -3.774 0.576 + 8664TIP3 OH232300 -0.838 -3.705 0.767 + 8664TIP3 H132301 -0.922 -3.661 0.790 + 8664TIP3 H232302 -0.782 -3.628 0.743 + 8665TIP3 OH232303 -2.377 -3.838 1.146 + 8665TIP3 H132304 -2.289 -3.869 1.122 + 8665TIP3 H232305 -2.429 -3.920 1.134 + 8666TIP3 OH232306 -0.621 -4.276 1.343 + 8666TIP3 H132307 -0.569 -4.355 1.320 + 8666TIP3 H232308 -0.619 -4.218 1.263 + 8667TIP3 OH232309 -0.847 -4.099 -0.052 + 8667TIP3 H132310 -0.824 -4.148 0.028 + 8667TIP3 H232311 -0.910 -4.160 -0.095 + 8668TIP3 OH232312 -2.280 -3.978 0.416 + 8668TIP3 H132313 -2.259 -4.073 0.424 + 8668TIP3 H232314 -2.220 -3.941 0.483 + 8669TIP3 OH232315 -2.458 -3.718 0.499 + 8669TIP3 H132316 -2.385 -3.740 0.440 + 8669TIP3 H232317 -2.415 -3.657 0.559 + 8670TIP3 OH232318 -0.642 -4.112 1.127 + 8670TIP3 H132319 -0.728 -4.064 1.133 + 8670TIP3 H232320 -0.650 -4.146 1.036 + 8671TIP3 OH232321 -0.636 -4.058 -0.391 + 8671TIP3 H132322 -0.615 -4.142 -0.436 + 8671TIP3 H232323 -0.551 -4.013 -0.387 + 8672TIP3 OH232324 -2.400 -4.106 -0.084 + 8672TIP3 H132325 -2.495 -4.092 -0.098 + 8672TIP3 H232326 -2.360 -4.034 -0.138 + 8673TIP3 OH232327 -0.857 -2.564 0.061 + 8673TIP3 H132328 -0.888 -2.654 0.059 + 8673TIP3 H232329 -0.894 -2.528 0.143 + 8674TIP3 OH232330 -2.459 -4.142 0.777 + 8674TIP3 H132331 -2.409 -4.221 0.803 + 8674TIP3 H232332 -2.434 -4.134 0.684 + 8675TIP3 OH232333 -2.201 -2.903 1.208 + 8675TIP3 H132334 -2.269 -2.900 1.140 + 8675TIP3 H232335 -2.253 -2.896 1.289 + 8676TIP3 OH232336 -1.917 -2.795 0.775 + 8676TIP3 H132337 -1.947 -2.711 0.735 + 8676TIP3 H232338 -1.822 -2.787 0.754 + 8677TIP3 OH232339 -1.468 -2.664 1.080 + 8677TIP3 H132340 -1.440 -2.687 1.170 + 8677TIP3 H232341 -1.385 -2.624 1.046 + 8678TIP3 OH232342 -1.237 -2.539 1.006 + 8678TIP3 H132343 -1.160 -2.591 0.978 + 8678TIP3 H232344 -1.202 -2.494 1.086 + 8679TIP3 OH232345 -0.780 -4.278 0.917 + 8679TIP3 H132346 -0.828 -4.213 0.862 + 8679TIP3 H232347 -0.763 -4.346 0.850 + 8680TIP3 OH232348 -2.183 -2.506 0.808 + 8680TIP3 H132349 -2.238 -2.441 0.760 + 8680TIP3 H232350 -2.213 -2.490 0.898 + 8681TIP3 OH232351 -1.933 -2.528 0.656 + 8681TIP3 H132352 -2.015 -2.502 0.701 + 8681TIP3 H232353 -1.924 -2.459 0.588 + 8682TIP3 OH232354 -1.466 -2.529 0.613 + 8682TIP3 H132355 -1.493 -2.480 0.532 + 8682TIP3 H232356 -1.452 -2.455 0.675 + 8683TIP3 OH232357 -1.226 -2.654 0.708 + 8683TIP3 H132358 -1.309 -2.616 0.674 + 8683TIP3 H232359 -1.168 -2.577 0.705 + 8684TIP3 OH232360 -0.969 -2.483 0.727 + 8684TIP3 H132361 -0.977 -2.388 0.707 + 8684TIP3 H232362 -0.942 -2.517 0.639 + 8685TIP3 OH232363 -2.225 -2.626 0.497 + 8685TIP3 H132364 -2.222 -2.671 0.584 + 8685TIP3 H232365 -2.145 -2.664 0.455 + 8686TIP3 OH232366 -2.022 -2.747 0.346 + 8686TIP3 H132367 -2.032 -2.841 0.370 + 8686TIP3 H232368 -1.929 -2.729 0.373 + 8687TIP3 OH232369 -1.754 -2.706 0.431 + 8687TIP3 H132370 -1.723 -2.796 0.411 + 8687TIP3 H232371 -1.738 -2.702 0.526 + 8688TIP3 OH232372 -1.414 -4.109 0.362 + 8688TIP3 H132373 -1.480 -4.176 0.386 + 8688TIP3 H232374 -1.357 -4.158 0.300 + 8689TIP3 OH232375 -0.888 -4.333 0.404 + 8689TIP3 H132376 -0.826 -4.289 0.343 + 8689TIP3 H232377 -0.973 -4.301 0.373 + 8690TIP3 OH232378 -0.691 -4.225 0.188 + 8690TIP3 H132379 -0.635 -4.244 0.112 + 8690TIP3 H232380 -0.672 -4.130 0.203 + 8691TIP3 OH232381 -2.179 -4.284 0.093 + 8691TIP3 H132382 -2.271 -4.296 0.067 + 8691TIP3 H232383 -2.153 -4.372 0.120 + 8692TIP3 OH232384 -2.321 -4.291 -0.283 + 8692TIP3 H132385 -2.274 -4.243 -0.354 + 8692TIP3 H232386 -2.356 -4.216 -0.231 + 8693TIP3 OH232387 -1.735 -4.261 0.119 + 8693TIP3 H132388 -1.646 -4.231 0.097 + 8693TIP3 H232389 -1.726 -4.283 0.212 + 8694TIP3 OH232390 -1.176 -4.265 0.255 + 8694TIP3 H132391 -1.140 -4.258 0.166 + 8694TIP3 H232392 -1.185 -4.360 0.269 + 8695TIP3 OH232393 -1.064 -4.273 -0.146 + 8695TIP3 H132394 -1.138 -4.211 -0.167 + 8695TIP3 H232395 -1.106 -4.359 -0.155 + 8696TIP3 OH232396 -2.276 -2.689 -0.170 + 8696TIP3 H132397 -2.332 -2.691 -0.249 + 8696TIP3 H232398 -2.264 -2.594 -0.158 + 8697TIP3 OH232399 -2.129 -4.129 -0.438 + 8697TIP3 H132400 -2.057 -4.160 -0.497 + 8697TIP3 H232401 -2.077 -4.075 -0.375 + 8698TIP3 OH232402 -1.606 -4.063 -0.209 + 8698TIP3 H132403 -1.598 -4.142 -0.154 + 8698TIP3 H232404 -1.587 -3.990 -0.147 + 8699TIP3 OH232405 -2.235 -4.161 1.074 + 8699TIP3 H132406 -2.288 -4.240 1.087 + 8699TIP3 H232407 -2.157 -4.202 1.033 + 8700TIP3 OH232408 -1.926 -4.287 1.300 + 8700TIP3 H132409 -1.843 -4.320 1.260 + 8700TIP3 H232410 -1.965 -4.367 1.337 + 8701TIP3 OH232411 -0.814 -2.737 1.136 + 8701TIP3 H132412 -0.883 -2.752 1.069 + 8701TIP3 H232413 -0.824 -2.641 1.150 + 8702TIP3 OH232414 0.611 -3.368 0.142 + 8702TIP3 H132415 0.607 -3.272 0.152 + 8702TIP3 H232416 0.536 -3.385 0.083 + 8703TIP3 OH232417 0.498 -3.422 0.451 + 8703TIP3 H132418 0.495 -3.480 0.528 + 8703TIP3 H232419 0.472 -3.483 0.380 + 8704TIP3 OH232420 -0.256 -3.464 0.618 + 8704TIP3 H132421 -0.257 -3.538 0.682 + 8704TIP3 H232422 -0.184 -3.410 0.653 + 8705TIP3 OH232423 0.869 -3.145 0.286 + 8705TIP3 H132424 0.829 -3.216 0.339 + 8705TIP3 H232425 0.890 -3.079 0.352 + 8706TIP3 OH232426 -0.189 -2.999 0.469 + 8706TIP3 H132427 -0.215 -3.090 0.443 + 8706TIP3 H232428 -0.096 -3.013 0.491 + 8707TIP3 OH232429 -0.493 -3.663 0.009 + 8707TIP3 H132430 -0.528 -3.573 0.016 + 8707TIP3 H232431 -0.566 -3.708 -0.036 + 8708TIP3 OH232432 -0.410 -3.414 0.195 + 8708TIP3 H132433 -0.394 -3.498 0.242 + 8708TIP3 H232434 -0.328 -3.405 0.144 + 8709TIP3 OH232435 0.571 -2.616 0.337 + 8709TIP3 H132436 0.631 -2.690 0.318 + 8709TIP3 H232437 0.542 -2.635 0.427 + 8710TIP3 OH232438 0.345 -3.171 0.508 + 8710TIP3 H132439 0.376 -3.243 0.450 + 8710TIP3 H232440 0.426 -3.158 0.560 + 8711TIP3 OH232441 1.201 -4.018 0.566 + 8711TIP3 H132442 1.235 -3.971 0.644 + 8711TIP3 H232443 1.264 -3.988 0.498 + 8712TIP3 OH232444 0.673 -3.740 0.557 + 8712TIP3 H132445 0.690 -3.836 0.554 + 8712TIP3 H232446 0.660 -3.721 0.463 + 8713TIP3 OH232447 -0.012 -3.943 0.273 + 8713TIP3 H132448 0.031 -3.865 0.232 + 8713TIP3 H232449 -0.038 -3.991 0.192 + 8714TIP3 OH232450 0.764 -3.924 0.111 + 8714TIP3 H132451 0.834 -3.960 0.168 + 8714TIP3 H232452 0.815 -3.881 0.041 + 8715TIP3 OH232453 -0.360 -3.666 0.318 + 8715TIP3 H132454 -0.294 -3.713 0.373 + 8715TIP3 H232455 -0.350 -3.712 0.233 + 8716TIP3 OH232456 0.177 -3.525 0.265 + 8716TIP3 H132457 0.250 -3.580 0.299 + 8716TIP3 H232458 0.129 -3.590 0.210 + 8717TIP3 OH232459 1.294 -3.849 0.828 + 8717TIP3 H132460 1.219 -3.797 0.796 + 8717TIP3 H232461 1.257 -3.889 0.908 + 8718TIP3 OH232462 -0.150 -4.055 0.683 + 8718TIP3 H132463 -0.179 -3.999 0.609 + 8718TIP3 H232464 -0.218 -4.032 0.750 + 8719TIP3 OH232465 0.603 -3.081 0.024 + 8719TIP3 H132466 0.571 -3.108 -0.062 + 8719TIP3 H232467 0.556 -2.997 0.039 + 8720TIP3 OH232468 0.146 -3.269 0.696 + 8720TIP3 H132469 0.072 -3.210 0.721 + 8720TIP3 H232470 0.207 -3.208 0.651 + 8721TIP3 OH232471 0.952 -4.023 0.310 + 8721TIP3 H132472 0.892 -4.051 0.380 + 8721TIP3 H232473 1.001 -3.952 0.355 + 8722TIP3 OH232474 -0.177 -3.863 0.471 + 8722TIP3 H132475 -0.115 -3.800 0.514 + 8722TIP3 H232476 -0.119 -3.894 0.397 + 8723TIP3 OH232477 -0.056 -3.082 0.768 + 8723TIP3 H132478 -0.059 -2.990 0.736 + 8723TIP3 H232479 -0.143 -3.086 0.812 + 8724TIP3 OH232480 -0.424 -3.110 -0.146 + 8724TIP3 H132481 -0.445 -3.066 -0.230 + 8724TIP3 H232482 -0.410 -3.036 -0.084 + 8725TIP3 OH232483 0.928 -2.927 0.509 + 8725TIP3 H132484 0.832 -2.947 0.515 + 8725TIP3 H232485 0.924 -2.833 0.521 + 8726TIP3 OH232486 0.961 -4.112 0.704 + 8726TIP3 H132487 0.882 -4.076 0.662 + 8726TIP3 H232488 1.029 -4.095 0.635 + 8727TIP3 OH232489 0.272 4.358 0.399 + 8727TIP3 H132490 0.249 4.275 0.443 + 8727TIP3 H232491 0.201 4.417 0.433 + 8728TIP3 OH232492 0.765 -2.777 0.210 + 8728TIP3 H132493 0.796 -2.855 0.160 + 8728TIP3 H232494 0.807 -2.705 0.161 + 8729TIP3 OH232495 0.896 -2.987 0.054 + 8729TIP3 H132496 0.848 -3.034 -0.016 + 8729TIP3 H232497 0.889 -3.052 0.126 + 8730TIP3 OH232498 1.051 -3.102 0.900 + 8730TIP3 H132499 1.039 -3.168 0.829 + 8730TIP3 H232500 1.067 -3.020 0.850 + 8731TIP3 OH232501 0.477 -3.419 -0.123 + 8731TIP3 H132502 0.412 -3.357 -0.162 + 8731TIP3 H232503 0.549 -3.417 -0.187 + 8732TIP3 OH232504 0.503 -3.595 -0.426 + 8732TIP3 H132505 0.572 -3.564 -0.364 + 8732TIP3 H232506 0.557 -3.651 -0.484 + 8733TIP3 OH232507 1.225 -3.488 0.694 + 8733TIP3 H132508 1.153 -3.423 0.703 + 8733TIP3 H232509 1.273 -3.454 0.616 + 8734TIP3 OH232510 0.829 -3.412 -0.023 + 8734TIP3 H132511 0.758 -3.393 0.043 + 8734TIP3 H232512 0.885 -3.472 0.030 + 8735TIP3 OH232513 0.812 -3.562 0.862 + 8735TIP3 H132514 0.816 -3.480 0.913 + 8735TIP3 H232515 0.745 -3.534 0.796 + 8736TIP3 OH232516 -0.013 -3.337 0.156 + 8736TIP3 H132517 -0.045 -3.379 0.073 + 8736TIP3 H232518 0.050 -3.403 0.188 + 8737TIP3 OH232519 0.124 -2.996 0.428 + 8737TIP3 H132520 0.111 -3.037 0.342 + 8737TIP3 H232521 0.203 -3.044 0.461 + 8738TIP3 OH232522 0.046 -3.460 0.507 + 8738TIP3 H132523 0.100 -3.457 0.426 + 8738TIP3 H232524 0.086 -3.389 0.562 + 8739TIP3 OH232525 0.657 -2.908 0.564 + 8739TIP3 H132526 0.639 -2.838 0.629 + 8739TIP3 H232527 0.620 -2.988 0.608 + 8740TIP3 OH232528 0.128 -3.027 0.990 + 8740TIP3 H132529 0.078 -2.957 1.036 + 8740TIP3 H232530 0.065 -3.051 0.919 + 8741TIP3 OH232531 0.723 -3.470 -0.277 + 8741TIP3 H132532 0.770 -3.444 -0.195 + 8741TIP3 H232533 0.772 -3.419 -0.345 + 8742TIP3 OH232534 -0.176 -3.388 0.903 + 8742TIP3 H132535 -0.171 -3.326 0.978 + 8742TIP3 H232536 -0.272 -3.396 0.891 + 8743TIP3 OH232537 0.476 -2.813 0.083 + 8743TIP3 H132538 0.519 -2.781 0.163 + 8743TIP3 H232539 0.416 -2.742 0.059 + 8744TIP3 OH232540 -0.059 -2.809 1.069 + 8744TIP3 H132541 -0.071 -2.801 0.972 + 8744TIP3 H232542 -0.148 -2.832 1.100 + 8745TIP3 OH232543 1.048 -4.331 -0.352 + 8745TIP3 H132544 0.990 -4.320 -0.275 + 8745TIP3 H232545 1.119 -4.268 -0.331 + 8746TIP3 OH232546 -0.123 -3.459 -0.091 + 8746TIP3 H132547 -0.143 -3.382 -0.149 + 8746TIP3 H232548 -0.188 -3.524 -0.122 + 8747TIP3 OH232549 1.203 -2.877 -0.466 + 8747TIP3 H132550 1.222 -2.782 -0.453 + 8747TIP3 H232551 1.291 -2.917 -0.449 + 8748TIP3 OH232552 -0.514 -3.196 0.782 + 8748TIP3 H132553 -0.559 -3.193 0.695 + 8748TIP3 H232554 -0.503 -3.292 0.796 + 8749TIP3 OH232555 -0.510 -2.905 0.474 + 8749TIP3 H132556 -0.417 -2.928 0.482 + 8749TIP3 H232557 -0.520 -2.837 0.542 + 8750TIP3 OH232558 1.328 -2.840 1.050 + 8750TIP3 H132559 1.317 -2.935 1.033 + 8750TIP3 H232560 1.237 -2.815 1.077 + 8751TIP3 OH232561 0.394 -2.920 0.932 + 8751TIP3 H132562 0.402 -2.837 0.984 + 8751TIP3 H232563 0.304 -2.948 0.955 + 8752TIP3 OH232564 -0.195 -2.622 0.094 + 8752TIP3 H132565 -0.188 -2.669 0.180 + 8752TIP3 H232566 -0.278 -2.659 0.061 + 8753TIP3 OH232567 0.754 -2.595 -0.309 + 8753TIP3 H132568 0.811 -2.640 -0.375 + 8753TIP3 H232569 0.752 -2.662 -0.241 + 8754TIP3 OH232570 1.008 -3.709 1.091 + 8754TIP3 H132571 0.957 -3.668 1.020 + 8754TIP3 H232572 1.015 -3.801 1.061 + 8755TIP3 OH232573 -0.296 -3.041 0.905 + 8755TIP3 H132574 -0.270 -3.088 0.987 + 8755TIP3 H232575 -0.370 -3.095 0.872 + 8756TIP3 OH232576 0.029 -4.220 0.494 + 8756TIP3 H132577 -0.056 -4.246 0.457 + 8756TIP3 H232578 0.007 -4.133 0.532 + 8757TIP3 OH232579 0.479 -4.266 0.852 + 8757TIP3 H132580 0.500 -4.309 0.936 + 8757TIP3 H232581 0.383 -4.275 0.848 + 8758TIP3 OH232582 0.779 -3.864 0.897 + 8758TIP3 H132583 0.719 -3.874 0.974 + 8758TIP3 H232584 0.773 -3.768 0.878 + 8759TIP3 OH232585 0.879 -3.360 -0.475 + 8759TIP3 H132586 0.857 -3.378 -0.568 + 8759TIP3 H232587 0.973 -3.336 -0.483 + 8760TIP3 OH232588 0.433 -3.998 -0.406 + 8760TIP3 H132589 0.383 -4.006 -0.324 + 8760TIP3 H232590 0.384 -4.059 -0.465 + 8761TIP3 OH232591 0.007 -3.716 0.624 + 8761TIP3 H132592 -0.057 -3.703 0.696 + 8761TIP3 H232593 0.015 -3.625 0.587 + 8762TIP3 OH232594 0.009 -3.703 0.111 + 8762TIP3 H132595 -0.086 -3.720 0.096 + 8762TIP3 H232596 0.046 -3.730 0.025 + 8763TIP3 OH232597 0.544 -3.663 -0.005 + 8763TIP3 H132598 0.499 -3.588 -0.047 + 8763TIP3 H232599 0.599 -3.697 -0.077 + 8764TIP3 OH232600 0.485 -3.632 1.123 + 8764TIP3 H132601 0.433 -3.706 1.160 + 8764TIP3 H232602 0.571 -3.644 1.166 + 8765TIP3 OH232603 0.654 -3.703 0.254 + 8765TIP3 H132604 0.613 -3.652 0.181 + 8765TIP3 H232605 0.665 -3.788 0.206 + 8766TIP3 OH232606 -0.252 -3.698 0.805 + 8766TIP3 H132607 -0.227 -3.667 0.892 + 8766TIP3 H232608 -0.293 -3.784 0.826 + 8767TIP3 OH232609 0.081 -3.945 -0.537 + 8767TIP3 H132610 0.050 -3.979 -0.451 + 8767TIP3 H232611 -0.002 -3.930 -0.586 + 8768TIP3 OH232612 -0.577 -3.965 0.173 + 8768TIP3 H132613 -0.519 -3.954 0.250 + 8768TIP3 H232614 -0.516 -3.989 0.102 + 8769TIP3 OH232615 -0.416 -3.911 -0.258 + 8769TIP3 H132616 -0.360 -3.860 -0.320 + 8769TIP3 H232617 -0.486 -3.845 -0.240 + 8770TIP3 OH232618 0.563 -3.544 0.714 + 8770TIP3 H132619 0.604 -3.616 0.661 + 8770TIP3 H232620 0.526 -3.592 0.789 + 8771TIP3 OH232621 -0.266 -3.830 0.088 + 8771TIP3 H132622 -0.342 -3.798 0.035 + 8771TIP3 H232623 -0.234 -3.907 0.039 + 8772TIP3 OH232624 0.111 -3.792 -0.155 + 8772TIP3 H132625 0.206 -3.792 -0.135 + 8772TIP3 H232626 0.099 -3.719 -0.218 + 8773TIP3 OH232627 0.711 -4.038 0.509 + 8773TIP3 H132628 0.650 -4.036 0.586 + 8773TIP3 H232629 0.644 -4.060 0.440 + 8774TIP3 OH232630 -0.055 -3.673 -0.372 + 8774TIP3 H132631 -0.111 -3.696 -0.447 + 8774TIP3 H232632 0.029 -3.652 -0.416 + 8775TIP3 OH232633 1.018 -2.452 1.182 + 8775TIP3 H132634 1.041 -2.412 1.096 + 8775TIP3 H232635 1.092 -2.421 1.237 + 8776TIP3 OH232636 -0.190 -3.198 1.124 + 8776TIP3 H132637 -0.122 -3.186 1.194 + 8776TIP3 H232638 -0.270 -3.192 1.180 + 8777TIP3 OH232639 0.386 -3.696 0.400 + 8777TIP3 H132640 0.438 -3.747 0.336 + 8777TIP3 H232641 0.367 -3.764 0.468 + 8778TIP3 OH232642 -0.102 -4.063 0.019 + 8778TIP3 H132643 -0.144 -4.150 0.023 + 8778TIP3 H232644 -0.020 -4.078 -0.030 + 8779TIP3 OH232645 0.276 -3.853 0.628 + 8779TIP3 H132646 0.204 -3.789 0.618 + 8779TIP3 H232647 0.326 -3.819 0.705 + 8780TIP3 OH232648 0.297 -3.213 -0.187 + 8780TIP3 H132649 0.221 -3.262 -0.225 + 8780TIP3 H232650 0.274 -3.209 -0.092 + 8781TIP3 OH232651 1.015 -3.292 0.686 + 8781TIP3 H132652 1.065 -3.242 0.618 + 8781TIP3 H232653 0.930 -3.308 0.640 + 8782TIP3 OH232654 0.701 -3.925 -0.429 + 8782TIP3 H132655 0.604 -3.937 -0.417 + 8782TIP3 H232656 0.724 -3.866 -0.354 + 8783TIP3 OH232657 0.458 -3.208 0.943 + 8783TIP3 H132658 0.428 -3.239 1.029 + 8783TIP3 H232659 0.428 -3.115 0.942 + 8784TIP3 OH232660 0.772 -3.749 -0.209 + 8784TIP3 H132661 0.858 -3.761 -0.165 + 8784TIP3 H232662 0.780 -3.658 -0.244 + 8785TIP3 OH232663 -0.190 -3.270 0.394 + 8785TIP3 H132664 -0.138 -3.280 0.313 + 8785TIP3 H232665 -0.182 -3.358 0.435 + 8786TIP3 OH232666 0.533 -3.073 -0.297 + 8786TIP3 H132667 0.507 -2.989 -0.254 + 8786TIP3 H232668 0.460 -3.132 -0.270 + 8787TIP3 OH232669 -0.468 -3.444 0.920 + 8787TIP3 H132670 -0.451 -3.490 1.005 + 8787TIP3 H232671 -0.527 -3.505 0.873 + 8788TIP3 OH232672 0.230 -3.495 1.119 + 8788TIP3 H132673 0.194 -3.517 1.031 + 8788TIP3 H232674 0.324 -3.519 1.107 + 8789TIP3 OH232675 0.685 -2.951 0.891 + 8789TIP3 H132676 0.589 -2.940 0.885 + 8789TIP3 H232677 0.702 -2.922 0.982 + 8790TIP3 OH232678 1.238 -3.746 -0.233 + 8790TIP3 H132679 1.181 -3.764 -0.310 + 8790TIP3 H232680 1.249 -3.650 -0.246 + 8791TIP3 OH232681 1.282 -3.141 1.048 + 8791TIP3 H132682 1.188 -3.118 1.030 + 8791TIP3 H232683 1.315 -3.158 0.958 + 8792TIP3 OH232684 1.058 -2.883 -0.219 + 8792TIP3 H132685 1.038 -2.965 -0.173 + 8792TIP3 H232686 1.107 -2.913 -0.297 + 8793TIP3 OH232687 0.783 -3.350 0.515 + 8793TIP3 H132688 0.689 -3.364 0.491 + 8793TIP3 H232689 0.825 -3.423 0.465 + 8794TIP3 OH232690 0.045 -2.941 0.115 + 8794TIP3 H132691 0.086 -2.854 0.105 + 8794TIP3 H232692 -0.047 -2.923 0.094 + 8795TIP3 OH232693 -0.356 -3.463 -0.418 + 8795TIP3 H132694 -0.299 -3.394 -0.381 + 8795TIP3 H232695 -0.443 -3.434 -0.388 + 8796TIP3 OH232696 0.228 -3.171 0.083 + 8796TIP3 H132697 0.193 -3.081 0.095 + 8796TIP3 H232698 0.158 -3.224 0.124 + 8797TIP3 OH232699 0.248 -2.746 0.713 + 8797TIP3 H132700 0.301 -2.667 0.692 + 8797TIP3 H232701 0.307 -2.791 0.775 + 8798TIP3 OH232702 0.096 -2.632 0.040 + 8798TIP3 H132703 -0.001 -2.636 0.048 + 8798TIP3 H232704 0.119 -2.562 0.101 + 8799TIP3 OH232705 0.586 -3.172 0.674 + 8799TIP3 H132706 0.555 -3.198 0.762 + 8799TIP3 H232707 0.658 -3.235 0.658 + 8800TIP3 OH232708 0.805 -3.036 -0.434 + 8800TIP3 H132709 0.845 -3.086 -0.360 + 8800TIP3 H232710 0.711 -3.054 -0.414 + 8801TIP3 OH232711 0.883 -2.714 0.909 + 8801TIP3 H132712 0.799 -2.750 0.878 + 8801TIP3 H232713 0.891 -2.632 0.857 + 8802TIP3 OH232714 1.278 -2.600 -0.390 + 8802TIP3 H132715 1.349 -2.534 -0.398 + 8802TIP3 H232716 1.201 -2.540 -0.384 + 8803TIP3 OH232717 -0.334 -3.961 0.879 + 8803TIP3 H132718 -0.426 -3.941 0.848 + 8803TIP3 H232719 -0.351 -4.048 0.922 + 8804TIP3 OH232720 0.900 -3.177 -0.194 + 8804TIP3 H132721 0.871 -3.252 -0.139 + 8804TIP3 H232722 0.997 -3.184 -0.188 + 8805TIP3 OH232723 -0.357 -2.802 0.720 + 8805TIP3 H132724 -0.329 -2.893 0.738 + 8805TIP3 H232725 -0.338 -2.760 0.804 + 8806TIP3 OH232726 0.230 -2.936 -0.576 + 8806TIP3 H132727 0.256 -3.016 -0.627 + 8806TIP3 H232728 0.184 -2.976 -0.500 + 8807TIP3 OH232729 0.121 -2.985 -0.311 + 8807TIP3 H132730 0.160 -3.039 -0.241 + 8807TIP3 H232731 0.125 -2.895 -0.275 + 8808TIP3 OH232732 -0.203 -3.240 -0.264 + 8808TIP3 H132733 -0.280 -3.203 -0.216 + 8808TIP3 H232734 -0.164 -3.158 -0.300 + 8809TIP3 OH232735 0.557 -4.007 0.744 + 8809TIP3 H132736 0.621 -3.981 0.812 + 8809TIP3 H232737 0.521 -4.091 0.778 + 8810TIP3 OH232738 0.664 -4.071 -0.146 + 8810TIP3 H132739 0.630 -4.009 -0.211 + 8810TIP3 H232740 0.641 -4.026 -0.063 + 8811TIP3 OH232741 0.408 -2.803 -0.234 + 8811TIP3 H132742 0.315 -2.774 -0.233 + 8811TIP3 H232743 0.435 -2.781 -0.324 + 8812TIP3 OH232744 0.400 -3.761 0.873 + 8812TIP3 H132745 0.411 -3.709 0.954 + 8812TIP3 H232746 0.460 -3.835 0.888 + 8813TIP3 OH232747 0.134 -2.716 -0.241 + 8813TIP3 H132748 0.110 -2.644 -0.303 + 8813TIP3 H232749 0.109 -2.676 -0.156 + 8814TIP3 OH232750 0.021 -4.053 -0.282 + 8814TIP3 H132751 0.023 -3.968 -0.234 + 8814TIP3 H232752 0.107 -4.090 -0.255 + 8815TIP3 OH232753 1.040 -3.963 0.953 + 8815TIP3 H132754 0.943 -3.952 0.943 + 8815TIP3 H232755 1.061 -3.987 0.862 + 8816TIP3 OH232756 0.880 -3.573 0.364 + 8816TIP3 H132757 0.799 -3.616 0.330 + 8816TIP3 H232758 0.927 -3.648 0.408 + 8817TIP3 OH232759 -0.162 -2.972 -0.386 + 8817TIP3 H132760 -0.100 -2.903 -0.358 + 8817TIP3 H232761 -0.109 -3.016 -0.454 + 8818TIP3 OH232762 -0.348 -3.745 -0.480 + 8818TIP3 H132763 -0.333 -3.651 -0.457 + 8818TIP3 H232764 -0.436 -3.741 -0.520 + 8819TIP3 OH232765 -0.338 -4.244 0.417 + 8819TIP3 H132766 -0.297 -4.241 0.329 + 8819TIP3 H232767 -0.311 -4.333 0.444 + 8820TIP3 OH232768 -0.363 -2.875 0.022 + 8820TIP3 H132769 -0.445 -2.829 0.040 + 8820TIP3 H232770 -0.333 -2.831 -0.059 + 8821TIP3 OH232771 -0.421 -2.599 1.140 + 8821TIP3 H132772 -0.370 -2.625 1.219 + 8821TIP3 H232773 -0.465 -2.682 1.115 + 8822TIP3 OH232774 0.048 -2.692 1.324 + 8822TIP3 H132775 0.115 -2.760 1.340 + 8822TIP3 H232776 0.023 -2.714 1.232 + 8823TIP3 OH232777 0.450 -2.769 -0.515 + 8823TIP3 H132778 0.371 -2.824 -0.536 + 8823TIP3 H232779 0.519 -2.818 -0.563 + 8824TIP3 OH232780 0.694 -2.870 1.178 + 8824TIP3 H132781 0.652 -2.948 1.218 + 8824TIP3 H232782 0.759 -2.843 1.244 + 8825TIP3 OH232783 0.906 -2.764 -0.507 + 8825TIP3 H132784 0.919 -2.851 -0.464 + 8825TIP3 H232785 0.983 -2.761 -0.568 + 8826TIP3 OH232786 -0.432 -3.238 1.256 + 8826TIP3 H132787 -0.421 -3.326 1.216 + 8826TIP3 H232788 -0.507 -3.203 1.204 + 8827TIP3 OH232789 -0.008 -3.194 -0.544 + 8827TIP3 H132790 0.009 -3.251 -0.467 + 8827TIP3 H232791 0.079 -3.197 -0.589 + 8828TIP3 OH232792 0.233 -3.216 1.189 + 8828TIP3 H132793 0.202 -3.181 1.104 + 8828TIP3 H232794 0.239 -3.313 1.172 + 8829TIP3 OH232795 0.518 -3.060 -0.583 + 8829TIP3 H132796 0.509 -3.065 -0.486 + 8829TIP3 H232797 0.512 -3.156 -0.605 + 8830TIP3 OH232798 0.770 -3.254 0.928 + 8830TIP3 H132799 0.847 -3.198 0.910 + 8830TIP3 H232800 0.699 -3.188 0.927 + 8831TIP3 OH232801 -0.345 -3.526 1.171 + 8831TIP3 H132802 -0.268 -3.585 1.174 + 8831TIP3 H232803 -0.349 -3.498 1.264 + 8832TIP3 OH232804 0.103 -3.386 -0.308 + 8832TIP3 H132805 0.038 -3.434 -0.255 + 8832TIP3 H232806 0.130 -3.454 -0.373 + 8833TIP3 OH232807 0.021 -3.608 0.918 + 8833TIP3 H132808 -0.034 -3.529 0.933 + 8833TIP3 H232809 0.084 -3.575 0.852 + 8834TIP3 OH232810 0.195 -3.585 -0.484 + 8834TIP3 H132811 0.191 -3.573 -0.581 + 8834TIP3 H232812 0.291 -3.587 -0.470 + 8835TIP3 OH232813 0.553 -3.338 1.272 + 8835TIP3 H132814 0.642 -3.356 1.240 + 8835TIP3 H232815 0.528 -3.423 1.310 + 8836TIP3 OH232816 1.147 -3.331 -0.552 + 8836TIP3 H132817 1.135 -3.373 -0.639 + 8836TIP3 H232818 1.136 -3.237 -0.576 + 8837TIP3 OH232819 0.080 -3.879 1.026 + 8837TIP3 H132820 0.089 -3.943 0.953 + 8837TIP3 H232821 0.061 -3.797 0.977 + 8838TIP3 OH232822 0.119 -4.039 0.767 + 8838TIP3 H132823 0.172 -3.981 0.709 + 8838TIP3 H232824 0.028 -4.025 0.732 + 8839TIP3 OH232825 0.271 -3.487 0.816 + 8839TIP3 H132826 0.353 -3.494 0.765 + 8839TIP3 H232827 0.237 -3.400 0.785 + 8840TIP3 OH232828 0.726 -3.693 1.293 + 8840TIP3 H132829 0.749 -3.787 1.307 + 8840TIP3 H232830 0.814 -3.653 1.288 + 8841TIP3 OH232831 0.824 -3.415 1.142 + 8841TIP3 H132832 0.789 -3.354 1.074 + 8841TIP3 H232833 0.914 -3.430 1.105 + 8842TIP3 OH232834 -0.097 -3.698 1.214 + 8842TIP3 H132835 -0.149 -3.780 1.208 + 8842TIP3 H232836 -0.018 -3.721 1.163 + 8843TIP3 OH232837 0.167 -4.278 0.885 + 8843TIP3 H132838 0.180 -4.186 0.854 + 8843TIP3 H232839 0.072 -4.285 0.868 + 8844TIP3 OH232840 0.315 -3.846 1.186 + 8844TIP3 H132841 0.281 -3.870 1.274 + 8844TIP3 H232842 0.235 -3.862 1.133 + 8845TIP3 OH232843 0.574 -3.945 1.084 + 8845TIP3 H132844 0.485 -3.930 1.121 + 8845TIP3 H232845 0.610 -4.010 1.147 + 8846TIP3 OH232846 0.745 -4.137 1.252 + 8846TIP3 H132847 0.732 -4.224 1.291 + 8846TIP3 H232848 0.732 -4.077 1.328 + 8847TIP3 OH232849 -0.216 -3.961 1.197 + 8847TIP3 H132850 -0.245 -4.019 1.124 + 8847TIP3 H232851 -0.266 -3.997 1.272 + 8848TIP3 OH232852 0.276 -4.148 1.299 + 8848TIP3 H132853 0.254 -4.228 1.250 + 8848TIP3 H232854 0.192 -4.098 1.300 + 8849TIP3 OH232855 0.167 -2.443 -0.366 + 8849TIP3 H132856 0.263 -2.445 -0.369 + 8849TIP3 H232857 0.146 -2.420 -0.458 + 8850TIP3 OH232858 -0.447 -3.023 -0.412 + 8850TIP3 H132859 -0.356 -2.986 -0.414 + 8850TIP3 H232860 -0.443 -3.087 -0.485 + 8851TIP3 OH232861 -0.560 -2.513 0.025 + 8851TIP3 H132862 -0.652 -2.531 -0.000 + 8851TIP3 H232863 -0.550 -2.572 0.101 + 8852TIP3 OH232864 -0.497 -2.693 0.249 + 8852TIP3 H132865 -0.528 -2.780 0.277 + 8852TIP3 H232866 -0.474 -2.655 0.335 + 8853TIP3 OH232867 1.244 -2.617 0.837 + 8853TIP3 H132868 1.194 -2.688 0.795 + 8853TIP3 H232869 1.303 -2.667 0.895 + 8854TIP3 OH232870 1.046 -3.086 1.270 + 8854TIP3 H132871 0.956 -3.077 1.307 + 8854TIP3 H232872 1.090 -3.004 1.298 + 8855TIP3 OH232873 1.184 -3.194 -0.157 + 8855TIP3 H132874 1.275 -3.162 -0.143 + 8855TIP3 H232875 1.177 -3.259 -0.084 + 8856TIP3 OH232876 1.230 -3.397 0.040 + 8856TIP3 H132877 1.164 -3.455 0.082 + 8856TIP3 H232878 1.299 -3.388 0.109 + 8857TIP3 OH232879 1.199 -3.147 0.537 + 8857TIP3 H132880 1.259 -3.200 0.482 + 8857TIP3 H232881 1.221 -3.057 0.510 + 8858TIP3 OH232882 1.071 -2.845 0.747 + 8858TIP3 H132883 1.003 -2.810 0.808 + 8858TIP3 H232884 1.019 -2.901 0.687 + 8859TIP3 OH232885 1.257 -3.454 -0.302 + 8859TIP3 H132886 1.206 -3.426 -0.381 + 8859TIP3 H232887 1.243 -3.378 -0.244 + 8860TIP3 OH232888 1.087 -3.700 -0.477 + 8860TIP3 H132889 1.110 -3.638 -0.548 + 8860TIP3 H232890 1.059 -3.779 -0.526 + 8861TIP3 OH232891 1.029 -3.585 0.123 + 8861TIP3 H132892 1.016 -3.679 0.101 + 8861TIP3 H232893 0.985 -3.578 0.210 + 8862TIP3 OH232894 -0.491 -3.368 0.491 + 8862TIP3 H132895 -0.467 -3.359 0.397 + 8862TIP3 H232896 -0.403 -3.386 0.530 + 8863TIP3 OH232897 1.086 -3.392 1.035 + 8863TIP3 H132898 1.159 -3.455 1.052 + 8863TIP3 H232899 1.133 -3.309 1.019 + 8864TIP3 OH232900 1.240 -3.583 1.158 + 8864TIP3 H132901 1.161 -3.637 1.134 + 8864TIP3 H232902 1.310 -3.651 1.156 + 8865TIP3 OH232903 1.026 -3.970 -0.561 + 8865TIP3 H132904 1.084 -4.012 -0.495 + 8865TIP3 H232905 0.943 -4.019 -0.551 + 8866TIP3 OH232906 1.011 -3.826 -0.058 + 8866TIP3 H132907 1.025 -3.923 -0.054 + 8866TIP3 H232908 1.092 -3.798 -0.103 + 8867TIP3 OH232909 1.033 -3.776 0.479 + 8867TIP3 H132910 1.131 -3.767 0.477 + 8867TIP3 H232911 1.019 -3.775 0.575 + 8868TIP3 OH232912 1.048 -3.707 0.766 + 8868TIP3 H132913 0.964 -3.664 0.791 + 8868TIP3 H232914 1.104 -3.629 0.743 + 8869TIP3 OH232915 -0.505 -3.837 1.148 + 8869TIP3 H132916 -0.414 -3.858 1.123 + 8869TIP3 H232917 -0.549 -3.923 1.140 + 8870TIP3 OH232918 1.263 -4.278 1.342 + 8870TIP3 H132919 1.318 -4.354 1.320 + 8870TIP3 H232920 1.267 -4.218 1.264 + 8871TIP3 OH232921 1.038 -4.098 -0.052 + 8871TIP3 H132922 1.060 -4.150 0.026 + 8871TIP3 H232923 0.978 -4.158 -0.100 + 8872TIP3 OH232924 -0.429 -3.989 0.414 + 8872TIP3 H132925 -0.399 -4.082 0.424 + 8872TIP3 H232926 -0.350 -3.940 0.443 + 8873TIP3 OH232927 -0.569 -3.728 0.515 + 8873TIP3 H132928 -0.510 -3.733 0.439 + 8873TIP3 H232929 -0.533 -3.651 0.562 + 8874TIP3 OH232930 1.244 -4.111 1.127 + 8874TIP3 H132931 1.159 -4.064 1.134 + 8874TIP3 H232932 1.235 -4.147 1.036 + 8875TIP3 OH232933 1.251 -4.059 -0.389 + 8875TIP3 H132934 1.270 -4.143 -0.436 + 8875TIP3 H232935 1.337 -4.014 -0.390 + 8876TIP3 OH232936 -0.515 -4.107 -0.085 + 8876TIP3 H132937 -0.610 -4.091 -0.098 + 8876TIP3 H232938 -0.474 -4.035 -0.138 + 8877TIP3 OH232939 0.929 -2.562 0.105 + 8877TIP3 H132940 0.993 -2.593 0.038 + 8877TIP3 H232941 0.985 -2.510 0.164 + 8878TIP3 OH232942 -0.542 -4.127 0.776 + 8878TIP3 H132943 -0.535 -4.221 0.799 + 8878TIP3 H232944 -0.557 -4.131 0.681 + 8879TIP3 OH232945 -0.317 -2.907 1.205 + 8879TIP3 H132946 -0.388 -2.896 1.141 + 8879TIP3 H232947 -0.361 -2.893 1.290 + 8880TIP3 OH232948 -0.031 -2.796 0.769 + 8880TIP3 H132949 -0.062 -2.709 0.740 + 8880TIP3 H232950 0.064 -2.786 0.751 + 8881TIP3 OH232951 0.407 -2.676 1.076 + 8881TIP3 H132952 0.437 -2.685 1.168 + 8881TIP3 H232953 0.481 -2.622 1.039 + 8882TIP3 OH232954 0.621 -2.537 0.995 + 8882TIP3 H132955 0.704 -2.567 0.958 + 8882TIP3 H232956 0.649 -2.464 1.051 + 8883TIP3 OH232957 1.106 -4.276 0.918 + 8883TIP3 H132958 1.056 -4.215 0.861 + 8883TIP3 H232959 1.130 -4.343 0.851 + 8884TIP3 OH232960 -0.289 -2.500 0.806 + 8884TIP3 H132961 -0.354 -2.445 0.757 + 8884TIP3 H232962 -0.327 -2.496 0.895 + 8885TIP3 OH232963 -0.029 -2.513 0.678 + 8885TIP3 H132964 -0.113 -2.501 0.725 + 8885TIP3 H232965 -0.041 -2.454 0.602 + 8886TIP3 OH232966 0.427 -2.513 0.627 + 8886TIP3 H132967 0.392 -2.462 0.552 + 8886TIP3 H232968 0.442 -2.443 0.692 + 8887TIP3 OH232969 0.667 -2.643 0.698 + 8887TIP3 H132970 0.576 -2.610 0.682 + 8887TIP3 H232971 0.712 -2.558 0.710 + 8888TIP3 OH232972 0.934 -2.501 0.703 + 8888TIP3 H132973 0.904 -2.408 0.714 + 8888TIP3 H232974 0.951 -2.499 0.608 + 8889TIP3 OH232975 -0.326 -2.618 0.501 + 8889TIP3 H132976 -0.336 -2.669 0.584 + 8889TIP3 H232977 -0.257 -2.670 0.455 + 8890TIP3 OH232978 -0.132 -2.750 0.342 + 8890TIP3 H132979 -0.151 -2.842 0.370 + 8890TIP3 H232980 -0.042 -2.736 0.378 + 8891TIP3 OH232981 0.140 -2.704 0.433 + 8891TIP3 H132982 0.158 -2.798 0.414 + 8891TIP3 H232983 0.152 -2.703 0.529 + 8892TIP3 OH232984 0.492 -4.115 0.367 + 8892TIP3 H132985 0.402 -4.149 0.369 + 8892TIP3 H232986 0.521 -4.131 0.276 + 8893TIP3 OH232987 1.002 -4.337 0.402 + 8893TIP3 H132988 1.064 -4.290 0.343 + 8893TIP3 H232989 0.918 -4.296 0.380 + 8894TIP3 OH232990 1.198 -4.226 0.191 + 8894TIP3 H132991 1.247 -4.245 0.110 + 8894TIP3 H232992 1.213 -4.130 0.201 + 8895TIP3 OH232993 -0.292 -4.285 0.091 + 8895TIP3 H132994 -0.384 -4.302 0.072 + 8895TIP3 H232995 -0.262 -4.369 0.129 + 8896TIP3 OH232996 -0.433 -4.290 -0.284 + 8896TIP3 H132997 -0.385 -4.240 -0.353 + 8896TIP3 H232998 -0.470 -4.217 -0.231 + 8897TIP3 OH232999 0.204 -4.294 0.122 + 8897TIP3 H133000 0.228 -4.205 0.085 + 8897TIP3 H233001 0.133 -4.267 0.182 + 8898TIP3 OH233002 0.664 -4.304 0.221 + 8898TIP3 H133003 0.730 -4.259 0.165 + 8898TIP3 H233004 0.719 -4.357 0.279 + 8899TIP3 OH233005 0.834 -4.282 -0.164 + 8899TIP3 H133006 0.766 -4.210 -0.167 + 8899TIP3 H233007 0.781 -4.360 -0.145 + 8900TIP3 OH233008 -0.426 -2.698 -0.198 + 8900TIP3 H133009 -0.469 -2.703 -0.284 + 8900TIP3 H233010 -0.414 -2.602 -0.193 + 8901TIP3 OH233011 -0.231 -4.129 -0.429 + 8901TIP3 H133012 -0.163 -4.157 -0.492 + 8901TIP3 H233013 -0.180 -4.071 -0.370 + 8902TIP3 OH233014 0.492 -2.499 -0.339 + 8902TIP3 H133015 0.581 -2.519 -0.373 + 8902TIP3 H233016 0.441 -2.562 -0.392 + 8903TIP3 OH233017 1.130 -2.613 -0.106 + 8903TIP3 H133018 1.113 -2.696 -0.154 + 8903TIP3 H233019 1.127 -2.548 -0.178 + 8904TIP3 OH233020 -0.331 -4.178 1.041 + 8904TIP3 H133021 -0.375 -4.259 1.070 + 8904TIP3 H233022 -0.243 -4.214 1.026 + 8905TIP3 OH233023 -0.037 -4.279 1.304 + 8905TIP3 H133024 0.050 -4.305 1.266 + 8905TIP3 H233025 -0.061 -4.358 1.353 + 8906TIP3 OH233026 1.074 -2.735 1.130 + 8906TIP3 H133027 0.999 -2.751 1.069 + 8906TIP3 H233028 1.060 -2.640 1.150 + 8907TIP3 OH233029 2.497 -3.366 0.144 + 8907TIP3 H133030 2.496 -3.270 0.154 + 8907TIP3 H233031 2.420 -3.380 0.087 + 8908TIP3 OH233032 2.383 -3.422 0.451 + 8908TIP3 H133033 2.380 -3.479 0.530 + 8908TIP3 H233034 2.354 -3.484 0.382 + 8909TIP3 OH233035 1.628 -3.464 0.618 + 8909TIP3 H133036 1.628 -3.539 0.681 + 8909TIP3 H233037 1.700 -3.410 0.655 + 8910TIP3 OH233038 2.751 -3.150 0.283 + 8910TIP3 H133039 2.712 -3.220 0.338 + 8910TIP3 H233040 2.777 -3.085 0.350 + 8911TIP3 OH233041 1.692 -3.002 0.468 + 8911TIP3 H133042 1.673 -3.095 0.443 + 8911TIP3 H233043 1.787 -3.010 0.489 + 8912TIP3 OH233044 1.394 -3.661 0.007 + 8912TIP3 H133045 1.355 -3.573 0.015 + 8912TIP3 H233046 1.321 -3.711 -0.033 + 8913TIP3 OH233047 1.475 -3.413 0.194 + 8913TIP3 H133048 1.490 -3.498 0.241 + 8913TIP3 H233049 1.558 -3.404 0.145 + 8914TIP3 OH233050 2.457 -2.614 0.338 + 8914TIP3 H133051 2.516 -2.685 0.308 + 8914TIP3 H233052 2.428 -2.646 0.425 + 8915TIP3 OH233053 2.230 -3.172 0.508 + 8915TIP3 H133054 2.263 -3.243 0.450 + 8915TIP3 H233055 2.312 -3.156 0.559 + 8916TIP3 OH233056 3.086 -4.017 0.564 + 8916TIP3 H133057 3.120 -3.972 0.643 + 8916TIP3 H233058 3.151 -3.988 0.498 + 8917TIP3 OH233059 2.559 -3.740 0.560 + 8917TIP3 H133060 2.579 -3.836 0.561 + 8917TIP3 H233061 2.550 -3.724 0.465 + 8918TIP3 OH233062 1.854 -3.941 0.269 + 8918TIP3 H133063 1.872 -3.856 0.224 + 8918TIP3 H233064 1.823 -3.994 0.194 + 8919TIP3 OH233065 2.646 -3.922 0.102 + 8919TIP3 H133066 2.707 -3.964 0.166 + 8919TIP3 H233067 2.708 -3.877 0.043 + 8920TIP3 OH233068 1.526 -3.662 0.317 + 8920TIP3 H133069 1.587 -3.711 0.374 + 8920TIP3 H233070 1.534 -3.712 0.233 + 8921TIP3 OH233071 2.065 -3.525 0.263 + 8921TIP3 H133072 2.135 -3.580 0.302 + 8921TIP3 H233073 2.014 -3.592 0.213 + 8922TIP3 OH233074 3.181 -3.847 0.831 + 8922TIP3 H133075 3.105 -3.797 0.796 + 8922TIP3 H233076 3.141 -3.891 0.907 + 8923TIP3 OH233077 1.736 -4.056 0.684 + 8923TIP3 H133078 1.703 -4.001 0.612 + 8923TIP3 H233079 1.669 -4.036 0.753 + 8924TIP3 OH233080 2.487 -3.082 0.022 + 8924TIP3 H133081 2.456 -3.102 -0.066 + 8924TIP3 H233082 2.442 -2.997 0.041 + 8925TIP3 OH233083 2.031 -3.269 0.695 + 8925TIP3 H133084 1.957 -3.210 0.720 + 8925TIP3 H233085 2.093 -3.209 0.650 + 8926TIP3 OH233086 2.834 -4.014 0.305 + 8926TIP3 H133087 2.785 -4.060 0.373 + 8926TIP3 H233088 2.885 -3.950 0.357 + 8927TIP3 OH233089 1.698 -3.856 0.479 + 8927TIP3 H133090 1.761 -3.795 0.522 + 8927TIP3 H233091 1.754 -3.890 0.405 + 8928TIP3 OH233092 1.829 -3.083 0.767 + 8928TIP3 H133093 1.827 -2.991 0.736 + 8928TIP3 H233094 1.743 -3.088 0.813 + 8929TIP3 OH233095 1.460 -3.111 -0.144 + 8929TIP3 H133096 1.442 -3.063 -0.228 + 8929TIP3 H233097 1.477 -3.039 -0.080 + 8930TIP3 OH233098 2.806 -2.967 0.534 + 8930TIP3 H133099 2.709 -2.956 0.535 + 8930TIP3 H233100 2.833 -2.881 0.496 + 8931TIP3 OH233101 2.849 -4.110 0.706 + 8931TIP3 H133102 2.768 -4.078 0.662 + 8931TIP3 H233103 2.915 -4.097 0.635 + 8932TIP3 OH233104 2.159 4.381 0.409 + 8932TIP3 H133105 2.155 4.285 0.417 + 8932TIP3 H233106 2.072 4.412 0.439 + 8933TIP3 OH233107 2.639 -2.776 0.194 + 8933TIP3 H133108 2.688 -2.852 0.157 + 8933TIP3 H233109 2.702 -2.703 0.177 + 8934TIP3 OH233110 2.784 -2.990 0.051 + 8934TIP3 H133111 2.728 -3.032 -0.016 + 8934TIP3 H233112 2.775 -3.053 0.125 + 8935TIP3 OH233113 2.938 -3.105 0.900 + 8935TIP3 H133114 2.924 -3.169 0.828 + 8935TIP3 H233115 2.946 -3.021 0.851 + 8936TIP3 OH233116 2.361 -3.416 -0.130 + 8936TIP3 H133117 2.295 -3.354 -0.166 + 8936TIP3 H233118 2.432 -3.409 -0.195 + 8937TIP3 OH233119 2.390 -3.596 -0.424 + 8937TIP3 H133120 2.459 -3.565 -0.363 + 8937TIP3 H233121 2.443 -3.653 -0.483 + 8938TIP3 OH233122 3.111 -3.487 0.695 + 8938TIP3 H133123 3.038 -3.423 0.702 + 8938TIP3 H233124 3.158 -3.453 0.616 + 8939TIP3 OH233125 2.713 -3.415 -0.022 + 8939TIP3 H133126 2.644 -3.392 0.045 + 8939TIP3 H233127 2.773 -3.470 0.031 + 8940TIP3 OH233128 2.697 -3.562 0.861 + 8940TIP3 H133129 2.702 -3.480 0.914 + 8940TIP3 H233130 2.632 -3.533 0.795 + 8941TIP3 OH233131 1.870 -3.338 0.156 + 8941TIP3 H133132 1.840 -3.380 0.073 + 8941TIP3 H233133 1.937 -3.401 0.188 + 8942TIP3 OH233134 2.006 -2.999 0.431 + 8942TIP3 H133135 1.997 -3.033 0.341 + 8942TIP3 H233136 2.087 -3.044 0.462 + 8943TIP3 OH233137 1.932 -3.458 0.506 + 8943TIP3 H133138 1.988 -3.453 0.425 + 8943TIP3 H233139 1.971 -3.389 0.563 + 8944TIP3 OH233140 2.528 -2.906 0.562 + 8944TIP3 H133141 2.527 -2.838 0.632 + 8944TIP3 H233142 2.503 -2.987 0.610 + 8945TIP3 OH233143 2.015 -3.025 0.989 + 8945TIP3 H133144 1.964 -2.957 1.036 + 8945TIP3 H233145 1.951 -3.051 0.919 + 8946TIP3 OH233146 2.609 -3.473 -0.276 + 8946TIP3 H133147 2.655 -3.443 -0.195 + 8946TIP3 H233148 2.658 -3.420 -0.345 + 8947TIP3 OH233149 1.709 -3.385 0.900 + 8947TIP3 H133150 1.714 -3.327 0.978 + 8947TIP3 H233151 1.613 -3.398 0.892 + 8948TIP3 OH233152 2.355 -2.810 0.081 + 8948TIP3 H133153 2.398 -2.777 0.160 + 8948TIP3 H233154 2.306 -2.732 0.049 + 8949TIP3 OH233155 1.826 -2.808 1.070 + 8949TIP3 H133156 1.815 -2.801 0.973 + 8949TIP3 H233157 1.737 -2.833 1.101 + 8950TIP3 OH233158 2.927 -4.321 -0.354 + 8950TIP3 H133159 2.885 -4.324 -0.268 + 8950TIP3 H233160 3.006 -4.269 -0.333 + 8951TIP3 OH233161 1.763 -3.463 -0.090 + 8951TIP3 H133162 1.745 -3.387 -0.148 + 8951TIP3 H233163 1.698 -3.527 -0.120 + 8952TIP3 OH233164 3.089 -2.884 -0.471 + 8952TIP3 H133165 3.104 -2.789 -0.450 + 8952TIP3 H233166 3.177 -2.922 -0.452 + 8953TIP3 OH233167 1.368 -3.197 0.781 + 8953TIP3 H133168 1.328 -3.201 0.693 + 8953TIP3 H233169 1.384 -3.291 0.800 + 8954TIP3 OH233170 1.369 -2.896 0.488 + 8954TIP3 H133171 1.455 -2.938 0.471 + 8954TIP3 H233172 1.391 -2.846 0.568 + 8955TIP3 OH233173 3.214 -2.841 1.052 + 8955TIP3 H133174 3.203 -2.936 1.032 + 8955TIP3 H233175 3.123 -2.818 1.080 + 8956TIP3 OH233176 2.280 -2.920 0.933 + 8956TIP3 H133177 2.287 -2.837 0.983 + 8956TIP3 H233178 2.189 -2.949 0.954 + 8957TIP3 OH233179 2.317 -2.540 -0.073 + 8957TIP3 H133180 2.309 -2.525 -0.169 + 8957TIP3 H233181 2.308 -2.451 -0.037 + 8958TIP3 OH233182 1.697 -2.638 0.084 + 8958TIP3 H133183 1.705 -2.665 0.177 + 8958TIP3 H233184 1.605 -2.661 0.064 + 8959TIP3 OH233185 2.640 -2.595 -0.353 + 8959TIP3 H133186 2.695 -2.662 -0.398 + 8959TIP3 H233187 2.632 -2.633 -0.263 + 8960TIP3 OH233188 2.578 -2.655 -0.073 + 8960TIP3 H133189 2.484 -2.633 -0.062 + 8960TIP3 H233190 2.587 -2.727 -0.008 + 8961TIP3 OH233191 2.895 -3.708 1.092 + 8961TIP3 H133192 2.843 -3.668 1.020 + 8961TIP3 H233193 2.901 -3.801 1.062 + 8962TIP3 OH233194 1.590 -3.042 0.908 + 8962TIP3 H133195 1.617 -3.090 0.989 + 8962TIP3 H233196 1.517 -3.097 0.873 + 8963TIP3 OH233197 1.911 -4.220 0.498 + 8963TIP3 H133198 1.829 -4.242 0.452 + 8963TIP3 H233199 1.887 -4.136 0.539 + 8964TIP3 OH233200 2.367 -4.262 0.855 + 8964TIP3 H133201 2.385 -4.309 0.937 + 8964TIP3 H233202 2.272 -4.278 0.845 + 8965TIP3 OH233203 2.664 -3.863 0.898 + 8965TIP3 H133204 2.604 -3.875 0.974 + 8965TIP3 H233205 2.657 -3.768 0.879 + 8966TIP3 OH233206 2.763 -3.365 -0.477 + 8966TIP3 H133207 2.743 -3.380 -0.571 + 8966TIP3 H233208 2.856 -3.336 -0.481 + 8967TIP3 OH233209 2.329 -3.994 -0.430 + 8967TIP3 H133210 2.274 -4.004 -0.350 + 8967TIP3 H233211 2.279 -4.054 -0.490 + 8968TIP3 OH233212 1.895 -3.716 0.624 + 8968TIP3 H133213 1.836 -3.703 0.700 + 8968TIP3 H233214 1.903 -3.625 0.588 + 8969TIP3 OH233215 1.889 -3.709 0.113 + 8969TIP3 H133216 1.794 -3.717 0.096 + 8969TIP3 H233217 1.925 -3.727 0.023 + 8970TIP3 OH233218 2.451 -3.652 -0.011 + 8970TIP3 H133219 2.410 -3.569 -0.044 + 8970TIP3 H233220 2.518 -3.667 -0.080 + 8971TIP3 OH233221 2.370 -3.632 1.123 + 8971TIP3 H133222 2.318 -3.706 1.160 + 8971TIP3 H233223 2.456 -3.644 1.166 + 8972TIP3 OH233224 2.536 -3.711 0.267 + 8972TIP3 H133225 2.507 -3.653 0.194 + 8972TIP3 H233226 2.557 -3.792 0.216 + 8973TIP3 OH233227 1.631 -3.696 0.806 + 8973TIP3 H133228 1.659 -3.669 0.894 + 8973TIP3 H233229 1.592 -3.784 0.825 + 8974TIP3 OH233230 1.968 -3.944 -0.536 + 8974TIP3 H133231 1.933 -3.979 -0.452 + 8974TIP3 H233232 1.888 -3.926 -0.587 + 8975TIP3 OH233233 1.311 -3.956 0.171 + 8975TIP3 H133234 1.369 -3.956 0.249 + 8975TIP3 H233235 1.367 -3.993 0.101 + 8976TIP3 OH233236 1.472 -3.911 -0.258 + 8976TIP3 H133237 1.525 -3.860 -0.322 + 8976TIP3 H233238 1.400 -3.847 -0.240 + 8977TIP3 OH233239 2.446 -3.543 0.713 + 8977TIP3 H133240 2.489 -3.616 0.663 + 8977TIP3 H233241 2.412 -3.591 0.790 + 8978TIP3 OH233242 2.167 -3.943 0.211 + 8978TIP3 H133243 2.073 -3.958 0.232 + 8978TIP3 H233244 2.209 -3.972 0.293 + 8979TIP3 OH233245 1.622 -3.827 0.082 + 8979TIP3 H133246 1.542 -3.798 0.036 + 8979TIP3 H233247 1.649 -3.908 0.035 + 8980TIP3 OH233248 1.986 -3.790 -0.148 + 8980TIP3 H133249 2.083 -3.783 -0.146 + 8980TIP3 H233250 1.960 -3.733 -0.223 + 8981TIP3 OH233251 2.601 -4.033 0.516 + 8981TIP3 H133252 2.537 -4.035 0.590 + 8981TIP3 H233253 2.543 -4.063 0.444 + 8982TIP3 OH233254 1.834 -3.673 -0.373 + 8982TIP3 H133255 1.774 -3.695 -0.446 + 8982TIP3 H233256 1.914 -3.648 -0.421 + 8983TIP3 OH233257 2.906 -2.458 1.182 + 8983TIP3 H133258 2.925 -2.412 1.099 + 8983TIP3 H233259 2.976 -2.425 1.241 + 8984TIP3 OH233260 1.697 -3.196 1.125 + 8984TIP3 H133261 1.765 -3.187 1.195 + 8984TIP3 H233262 1.616 -3.195 1.180 + 8985TIP3 OH233263 2.268 -3.694 0.398 + 8985TIP3 H133264 2.340 -3.738 0.349 + 8985TIP3 H233265 2.252 -3.757 0.471 + 8986TIP3 OH233266 1.781 -4.066 0.019 + 8986TIP3 H133267 1.736 -4.152 0.032 + 8986TIP3 H233268 1.866 -4.093 -0.018 + 8987TIP3 OH233269 2.164 -3.849 0.623 + 8987TIP3 H133270 2.089 -3.788 0.622 + 8987TIP3 H233271 2.214 -3.822 0.703 + 8988TIP3 OH233272 2.179 -3.210 -0.189 + 8988TIP3 H133273 2.103 -3.260 -0.225 + 8988TIP3 H233274 2.159 -3.205 -0.093 + 8989TIP3 OH233275 2.901 -3.294 0.685 + 8989TIP3 H133276 2.951 -3.239 0.620 + 8989TIP3 H233277 2.816 -3.305 0.639 + 8990TIP3 OH233278 2.596 -3.930 -0.428 + 8990TIP3 H133279 2.498 -3.938 -0.425 + 8990TIP3 H233280 2.615 -3.863 -0.360 + 8991TIP3 OH233281 2.344 -3.208 0.943 + 8991TIP3 H133282 2.313 -3.240 1.029 + 8991TIP3 H233283 2.313 -3.116 0.943 + 8992TIP3 OH233284 2.661 -3.750 -0.213 + 8992TIP3 H133285 2.748 -3.762 -0.170 + 8992TIP3 H233286 2.670 -3.659 -0.250 + 8993TIP3 OH233287 1.694 -3.270 0.393 + 8993TIP3 H133288 1.749 -3.281 0.313 + 8993TIP3 H233289 1.703 -3.357 0.436 + 8994TIP3 OH233290 2.419 -3.074 -0.295 + 8994TIP3 H133291 2.392 -2.987 -0.260 + 8994TIP3 H233292 2.342 -3.128 -0.269 + 8995TIP3 OH233293 1.417 -3.442 0.920 + 8995TIP3 H133294 1.435 -3.487 1.005 + 8995TIP3 H233295 1.359 -3.505 0.874 + 8996TIP3 OH233296 2.116 -3.493 1.118 + 8996TIP3 H133297 2.082 -3.517 1.030 + 8996TIP3 H233298 2.209 -3.520 1.108 + 8997TIP3 OH233299 2.570 -2.950 0.891 + 8997TIP3 H133300 2.474 -2.942 0.883 + 8997TIP3 H233301 2.585 -2.924 0.983 + 8998TIP3 OH233302 3.123 -3.746 -0.233 + 8998TIP3 H133303 3.066 -3.765 -0.310 + 8998TIP3 H233304 3.134 -3.649 -0.246 + 8999TIP3 OH233305 3.169 -3.139 1.047 + 8999TIP3 H133306 3.075 -3.119 1.028 + 8999TIP3 H233307 3.201 -3.159 0.957 + 9000TIP3 OH233308 2.943 -2.883 -0.222 + 9000TIP3 H133309 2.922 -2.962 -0.170 + 9000TIP3 H233310 2.995 -2.920 -0.296 + 9001TIP3 OH233311 2.667 -3.351 0.516 + 9001TIP3 H133312 2.574 -3.365 0.491 + 9001TIP3 H233313 2.711 -3.422 0.465 + 9002TIP3 OH233314 1.928 -2.940 0.122 + 9002TIP3 H133315 1.972 -2.854 0.108 + 9002TIP3 H233316 1.839 -2.919 0.094 + 9003TIP3 OH233317 1.531 -3.463 -0.419 + 9003TIP3 H133318 1.587 -3.394 -0.381 + 9003TIP3 H233319 1.442 -3.434 -0.388 + 9004TIP3 OH233320 2.114 -3.174 0.081 + 9004TIP3 H133321 2.086 -3.082 0.095 + 9004TIP3 H233322 2.041 -3.222 0.124 + 9005TIP3 OH233323 2.130 -2.747 0.717 + 9005TIP3 H133324 2.184 -2.672 0.686 + 9005TIP3 H233325 2.194 -2.795 0.773 + 9006TIP3 OH233326 1.974 -2.655 0.042 + 9006TIP3 H133327 1.879 -2.635 0.047 + 9006TIP3 H233328 2.013 -2.567 0.064 + 9007TIP3 OH233329 2.471 -3.172 0.673 + 9007TIP3 H133330 2.442 -3.200 0.762 + 9007TIP3 H233331 2.545 -3.233 0.656 + 9008TIP3 OH233332 2.688 -3.043 -0.435 + 9008TIP3 H133333 2.730 -3.087 -0.359 + 9008TIP3 H233334 2.595 -3.055 -0.410 + 9009TIP3 OH233335 2.767 -2.715 0.912 + 9009TIP3 H133336 2.690 -2.761 0.871 + 9009TIP3 H233337 2.774 -2.635 0.856 + 9010TIP3 OH233338 3.164 -2.615 -0.382 + 9010TIP3 H133339 3.230 -2.550 -0.408 + 9010TIP3 H233340 3.085 -2.558 -0.379 + 9011TIP3 OH233341 1.552 -3.961 0.878 + 9011TIP3 H133342 1.461 -3.943 0.847 + 9011TIP3 H233343 1.536 -4.047 0.922 + 9012TIP3 OH233344 2.784 -3.181 -0.197 + 9012TIP3 H133345 2.758 -3.252 -0.136 + 9012TIP3 H233346 2.881 -3.182 -0.187 + 9013TIP3 OH233347 1.521 -2.808 0.722 + 9013TIP3 H133348 1.563 -2.894 0.738 + 9013TIP3 H233349 1.547 -2.761 0.803 + 9014TIP3 OH233350 2.113 -2.936 -0.578 + 9014TIP3 H133351 2.141 -3.016 -0.626 + 9014TIP3 H233352 2.070 -2.975 -0.500 + 9015TIP3 OH233353 1.997 -2.985 -0.306 + 9015TIP3 H133354 2.049 -3.036 -0.242 + 9015TIP3 H233355 2.011 -2.893 -0.275 + 9016TIP3 OH233356 1.681 -3.241 -0.265 + 9016TIP3 H133357 1.608 -3.202 -0.214 + 9016TIP3 H233358 1.727 -3.161 -0.296 + 9017TIP3 OH233359 2.442 -4.007 0.745 + 9017TIP3 H133360 2.505 -3.981 0.813 + 9017TIP3 H233361 2.406 -4.092 0.779 + 9018TIP3 OH233362 2.522 -4.058 -0.141 + 9018TIP3 H133363 2.526 -3.997 -0.216 + 9018TIP3 H233364 2.556 -4.002 -0.069 + 9019TIP3 OH233365 2.290 -2.826 -0.244 + 9019TIP3 H133366 2.211 -2.773 -0.223 + 9019TIP3 H233367 2.328 -2.774 -0.317 + 9020TIP3 OH233368 2.256 -3.853 -0.041 + 9020TIP3 H133369 2.328 -3.788 -0.027 + 9020TIP3 H233370 2.225 -3.867 0.051 + 9021TIP3 OH233371 2.288 -3.761 0.871 + 9021TIP3 H133372 2.296 -3.710 0.953 + 9021TIP3 H233373 2.344 -3.837 0.889 + 9022TIP3 OH233374 2.327 -4.173 0.060 + 9022TIP3 H133375 2.292 -4.097 0.110 + 9022TIP3 H233376 2.381 -4.128 -0.008 + 9023TIP3 OH233377 2.011 -2.715 -0.243 + 9023TIP3 H133378 2.006 -2.634 -0.299 + 9023TIP3 H233379 1.996 -2.679 -0.154 + 9024TIP3 OH233380 1.880 -4.051 -0.291 + 9024TIP3 H133381 1.882 -3.969 -0.238 + 9024TIP3 H233382 1.968 -4.087 -0.269 + 9025TIP3 OH233383 2.926 -3.963 0.953 + 9025TIP3 H133384 2.829 -3.952 0.944 + 9025TIP3 H233385 2.945 -3.989 0.862 + 9026TIP3 OH233386 2.767 -3.574 0.363 + 9026TIP3 H133387 2.685 -3.619 0.336 + 9026TIP3 H233388 2.816 -3.646 0.409 + 9027TIP3 OH233389 1.723 -2.963 -0.389 + 9027TIP3 H133390 1.795 -2.909 -0.351 + 9027TIP3 H233391 1.773 -3.010 -0.457 + 9028TIP3 OH233392 1.538 -3.745 -0.479 + 9028TIP3 H133393 1.550 -3.651 -0.456 + 9028TIP3 H233394 1.451 -3.743 -0.522 + 9029TIP3 OH233395 2.870 -2.689 0.503 + 9029TIP3 H133396 2.849 -2.609 0.451 + 9029TIP3 H233397 2.963 -2.672 0.525 + 9030TIP3 OH233398 1.551 -4.242 0.418 + 9030TIP3 H133399 1.590 -4.241 0.330 + 9030TIP3 H233400 1.574 -4.333 0.444 + 9031TIP3 OH233401 1.513 -2.879 0.037 + 9031TIP3 H133402 1.432 -2.830 0.023 + 9031TIP3 H233403 1.569 -2.842 -0.032 + 9032TIP3 OH233404 1.459 -2.596 1.143 + 9032TIP3 H133405 1.515 -2.624 1.218 + 9032TIP3 H233406 1.419 -2.681 1.115 + 9033TIP3 OH233407 1.928 -2.694 1.323 + 9033TIP3 H133408 1.998 -2.757 1.342 + 9033TIP3 H233409 1.906 -2.717 1.231 + 9034TIP3 OH233410 2.335 -2.766 -0.528 + 9034TIP3 H133411 2.259 -2.827 -0.537 + 9034TIP3 H233412 2.405 -2.821 -0.567 + 9035TIP3 OH233413 2.578 -2.866 1.178 + 9035TIP3 H133414 2.537 -2.946 1.215 + 9035TIP3 H233415 2.645 -2.844 1.245 + 9036TIP3 OH233416 2.797 -2.775 -0.515 + 9036TIP3 H133417 2.814 -2.857 -0.467 + 9036TIP3 H233418 2.873 -2.770 -0.576 + 9037TIP3 OH233419 1.455 -3.236 1.255 + 9037TIP3 H133420 1.464 -3.326 1.220 + 9037TIP3 H233421 1.378 -3.204 1.203 + 9038TIP3 OH233422 1.876 -3.194 -0.544 + 9038TIP3 H133423 1.894 -3.252 -0.468 + 9038TIP3 H233424 1.963 -3.196 -0.589 + 9039TIP3 OH233425 2.119 -3.216 1.189 + 9039TIP3 H133426 2.088 -3.182 1.103 + 9039TIP3 H233427 2.125 -3.312 1.173 + 9040TIP3 OH233428 2.401 -3.061 -0.582 + 9040TIP3 H133429 2.395 -3.064 -0.485 + 9040TIP3 H233430 2.395 -3.157 -0.603 + 9041TIP3 OH233431 2.655 -3.254 0.929 + 9041TIP3 H133432 2.733 -3.200 0.907 + 9041TIP3 H233433 2.585 -3.188 0.926 + 9042TIP3 OH233434 1.541 -3.523 1.171 + 9042TIP3 H133435 1.616 -3.585 1.173 + 9042TIP3 H233436 1.537 -3.499 1.265 + 9043TIP3 OH233437 1.986 -3.385 -0.310 + 9043TIP3 H133438 1.925 -3.437 -0.255 + 9043TIP3 H233439 2.016 -3.453 -0.373 + 9044TIP3 OH233440 1.906 -3.609 0.915 + 9044TIP3 H133441 1.853 -3.530 0.935 + 9044TIP3 H233442 1.972 -3.573 0.852 + 9045TIP3 OH233443 2.080 -3.584 -0.484 + 9045TIP3 H133444 2.076 -3.575 -0.581 + 9045TIP3 H233445 2.176 -3.587 -0.469 + 9046TIP3 OH233446 2.438 -3.338 1.272 + 9046TIP3 H133447 2.528 -3.357 1.240 + 9046TIP3 H233448 2.412 -3.422 1.311 + 9047TIP3 OH233449 3.034 -3.332 -0.552 + 9047TIP3 H133450 3.021 -3.372 -0.639 + 9047TIP3 H233451 3.021 -3.237 -0.574 + 9048TIP3 OH233452 1.966 -3.879 1.026 + 9048TIP3 H133453 1.974 -3.944 0.954 + 9048TIP3 H233454 1.946 -3.797 0.977 + 9049TIP3 OH233455 2.004 -4.037 0.768 + 9049TIP3 H133456 2.057 -3.982 0.707 + 9049TIP3 H233457 1.913 -4.026 0.734 + 9050TIP3 OH233458 2.155 -3.487 0.815 + 9050TIP3 H133459 2.239 -3.495 0.766 + 9050TIP3 H233460 2.123 -3.400 0.784 + 9051TIP3 OH233461 2.612 -3.693 1.292 + 9051TIP3 H133462 2.632 -3.786 1.309 + 9051TIP3 H233463 2.701 -3.654 1.288 + 9052TIP3 OH233464 2.710 -3.415 1.142 + 9052TIP3 H133465 2.675 -3.354 1.074 + 9052TIP3 H233466 2.799 -3.430 1.105 + 9053TIP3 OH233467 1.787 -3.696 1.209 + 9053TIP3 H133468 1.736 -3.778 1.210 + 9053TIP3 H233469 1.868 -3.725 1.164 + 9054TIP3 OH233470 2.051 -4.277 0.890 + 9054TIP3 H133471 2.066 -4.187 0.855 + 9054TIP3 H233472 1.957 -4.287 0.868 + 9055TIP3 OH233473 2.200 -3.844 1.186 + 9055TIP3 H133474 2.169 -3.871 1.274 + 9055TIP3 H233475 2.119 -3.863 1.134 + 9056TIP3 OH233476 2.459 -3.944 1.084 + 9056TIP3 H133477 2.370 -3.930 1.121 + 9056TIP3 H233478 2.495 -4.010 1.147 + 9057TIP3 OH233479 2.635 -4.137 1.254 + 9057TIP3 H133480 2.616 -4.224 1.291 + 9057TIP3 H233481 2.617 -4.077 1.328 + 9058TIP3 OH233482 1.667 -3.960 1.196 + 9058TIP3 H133483 1.640 -4.020 1.125 + 9058TIP3 H233484 1.622 -3.998 1.274 + 9059TIP3 OH233485 2.163 -4.145 1.294 + 9059TIP3 H133486 2.140 -4.228 1.249 + 9059TIP3 H233487 2.078 -4.099 1.302 + 9060TIP3 OH233488 2.059 -2.466 -0.378 + 9060TIP3 H133489 2.152 -2.444 -0.360 + 9060TIP3 H233490 2.044 -2.410 -0.456 + 9061TIP3 OH233491 1.448 -3.022 -0.418 + 9061TIP3 H133492 1.544 -3.001 -0.408 + 9061TIP3 H233493 1.450 -3.097 -0.479 + 9062TIP3 OH233494 1.357 -2.496 0.052 + 9062TIP3 H133495 1.286 -2.527 -0.006 + 9062TIP3 H233496 1.360 -2.562 0.123 + 9063TIP3 OH233497 1.351 -2.701 0.277 + 9063TIP3 H133498 1.379 -2.794 0.273 + 9063TIP3 H233499 1.424 -2.664 0.331 + 9064TIP3 OH233500 3.142 -2.573 0.552 + 9064TIP3 H133501 3.158 -2.576 0.648 + 9064TIP3 H233502 3.227 -2.543 0.518 + 9065TIP3 OH233503 3.134 -2.628 0.840 + 9065TIP3 H133504 3.079 -2.700 0.803 + 9065TIP3 H233505 3.186 -2.677 0.905 + 9066TIP3 OH233506 2.931 -3.086 1.269 + 9066TIP3 H133507 2.842 -3.077 1.308 + 9066TIP3 H233508 2.976 -3.004 1.299 + 9067TIP3 OH233509 3.071 -3.195 -0.158 + 9067TIP3 H133510 3.161 -3.162 -0.142 + 9067TIP3 H233511 3.062 -3.258 -0.085 + 9068TIP3 OH233512 3.117 -3.398 0.039 + 9068TIP3 H133513 3.050 -3.455 0.082 + 9068TIP3 H233514 3.185 -3.387 0.108 + 9069TIP3 OH233515 3.091 -3.149 0.540 + 9069TIP3 H133516 3.150 -3.198 0.481 + 9069TIP3 H233517 3.100 -3.058 0.507 + 9070TIP3 OH233518 2.961 -2.857 0.762 + 9070TIP3 H133519 2.887 -2.816 0.811 + 9070TIP3 H233520 2.916 -2.892 0.683 + 9071TIP3 OH233521 3.143 -3.454 -0.303 + 9071TIP3 H133522 3.091 -3.425 -0.381 + 9071TIP3 H233523 3.129 -3.379 -0.243 + 9072TIP3 OH233524 2.971 -3.699 -0.477 + 9072TIP3 H133525 2.996 -3.638 -0.547 + 9072TIP3 H233526 2.945 -3.779 -0.527 + 9073TIP3 OH233527 2.912 -3.584 0.122 + 9073TIP3 H133528 2.903 -3.679 0.103 + 9073TIP3 H233529 2.872 -3.576 0.211 + 9074TIP3 OH233530 1.394 -3.361 0.492 + 9074TIP3 H133531 1.418 -3.359 0.398 + 9074TIP3 H233532 1.480 -3.384 0.532 + 9075TIP3 OH233533 2.971 -3.393 1.037 + 9075TIP3 H133534 3.045 -3.454 1.052 + 9075TIP3 H233535 3.016 -3.310 1.015 + 9076TIP3 OH233536 3.127 -3.584 1.158 + 9076TIP3 H133537 3.047 -3.636 1.134 + 9076TIP3 H233538 3.196 -3.653 1.155 + 9077TIP3 OH233539 2.912 -3.969 -0.561 + 9077TIP3 H133540 2.971 -4.012 -0.496 + 9077TIP3 H233541 2.829 -4.018 -0.550 + 9078TIP3 OH233542 2.894 -3.827 -0.059 + 9078TIP3 H133543 2.911 -3.924 -0.054 + 9078TIP3 H233544 2.976 -3.797 -0.102 + 9079TIP3 OH233545 2.919 -3.774 0.479 + 9079TIP3 H133546 3.017 -3.768 0.477 + 9079TIP3 H233547 2.905 -3.776 0.575 + 9080TIP3 OH233548 2.934 -3.706 0.766 + 9080TIP3 H133549 2.850 -3.665 0.791 + 9080TIP3 H233550 2.989 -3.629 0.743 + 9081TIP3 OH233551 1.380 -3.836 1.144 + 9081TIP3 H133552 1.472 -3.858 1.127 + 9081TIP3 H233553 1.337 -3.923 1.141 + 9082TIP3 OH233554 3.152 -4.275 1.343 + 9082TIP3 H133555 3.198 -4.356 1.319 + 9082TIP3 H233556 3.152 -4.218 1.263 + 9083TIP3 OH233557 2.923 -4.099 -0.051 + 9083TIP3 H133558 2.947 -4.150 0.027 + 9083TIP3 H233559 2.861 -4.160 -0.095 + 9084TIP3 OH233560 1.456 -3.990 0.412 + 9084TIP3 H133561 1.487 -4.083 0.423 + 9084TIP3 H233562 1.531 -3.940 0.449 + 9085TIP3 OH233563 1.316 -3.728 0.514 + 9085TIP3 H133564 1.375 -3.734 0.437 + 9085TIP3 H233565 1.355 -3.654 0.562 + 9086TIP3 OH233566 3.129 -4.111 1.127 + 9086TIP3 H133567 3.044 -4.064 1.133 + 9086TIP3 H233568 3.120 -4.147 1.036 + 9087TIP3 OH233569 3.137 -4.057 -0.392 + 9087TIP3 H133570 3.155 -4.143 -0.436 + 9087TIP3 H233571 3.224 -4.015 -0.390 + 9088TIP3 OH233572 1.371 -4.102 -0.080 + 9088TIP3 H133573 1.276 -4.094 -0.099 + 9088TIP3 H233574 1.410 -4.033 -0.138 + 9089TIP3 OH233575 2.831 -2.570 0.132 + 9089TIP3 H133576 2.878 -2.593 0.050 + 9089TIP3 H233577 2.901 -2.532 0.186 + 9090TIP3 OH233578 1.349 -4.128 0.773 + 9090TIP3 H133579 1.347 -4.222 0.799 + 9090TIP3 H233580 1.327 -4.133 0.679 + 9091TIP3 OH233581 1.570 -2.900 1.205 + 9091TIP3 H133582 1.498 -2.897 1.140 + 9091TIP3 H233583 1.522 -2.897 1.289 + 9092TIP3 OH233584 1.853 -2.797 0.772 + 9092TIP3 H133585 1.823 -2.712 0.736 + 9092TIP3 H233586 1.949 -2.789 0.754 + 9093TIP3 OH233587 2.306 -2.669 1.073 + 9093TIP3 H133588 2.320 -2.684 1.168 + 9093TIP3 H233589 2.388 -2.622 1.047 + 9094TIP3 OH233590 2.534 -2.521 0.997 + 9094TIP3 H133591 2.602 -2.587 0.974 + 9094TIP3 H233592 2.564 -2.492 1.085 + 9095TIP3 OH233593 2.993 -4.276 0.917 + 9095TIP3 H133594 2.942 -4.214 0.862 + 9095TIP3 H233595 3.013 -4.344 0.851 + 9096TIP3 OH233596 1.588 -2.506 0.802 + 9096TIP3 H133597 1.531 -2.442 0.757 + 9096TIP3 H233598 1.559 -2.495 0.893 + 9097TIP3 OH233599 1.840 -2.525 0.657 + 9097TIP3 H133600 1.756 -2.503 0.703 + 9097TIP3 H233601 1.843 -2.457 0.588 + 9098TIP3 OH233602 2.316 -2.526 0.616 + 9098TIP3 H133603 2.277 -2.484 0.536 + 9098TIP3 H233604 2.323 -2.449 0.675 + 9099TIP3 OH233605 2.548 -2.654 0.709 + 9099TIP3 H133606 2.464 -2.619 0.675 + 9099TIP3 H233607 2.603 -2.574 0.704 + 9100TIP3 OH233608 2.806 -2.481 0.728 + 9100TIP3 H133609 2.796 -2.386 0.704 + 9100TIP3 H233610 2.829 -2.518 0.641 + 9101TIP3 OH233611 1.521 -2.628 0.494 + 9101TIP3 H133612 1.525 -2.658 0.587 + 9101TIP3 H233613 1.610 -2.653 0.463 + 9102TIP3 OH233614 1.742 -2.742 0.350 + 9102TIP3 H133615 1.733 -2.836 0.375 + 9102TIP3 H233616 1.834 -2.723 0.374 + 9103TIP3 OH233617 2.023 -2.702 0.431 + 9103TIP3 H133618 2.044 -2.794 0.409 + 9103TIP3 H233619 2.032 -2.704 0.527 + 9104TIP3 OH233620 2.357 -4.112 0.362 + 9104TIP3 H133621 2.294 -4.182 0.389 + 9104TIP3 H233622 2.416 -4.161 0.302 + 9105TIP3 OH233623 2.885 -4.330 0.407 + 9105TIP3 H133624 2.945 -4.289 0.342 + 9105TIP3 H233625 2.798 -4.305 0.373 + 9106TIP3 OH233626 3.080 -4.225 0.189 + 9106TIP3 H133627 3.136 -4.246 0.113 + 9106TIP3 H233628 3.099 -4.130 0.201 + 9107TIP3 OH233629 1.593 -4.284 0.091 + 9107TIP3 H133630 1.501 -4.304 0.073 + 9107TIP3 H233631 1.626 -4.365 0.130 + 9108TIP3 OH233632 1.450 -4.291 -0.282 + 9108TIP3 H133633 1.496 -4.244 -0.354 + 9108TIP3 H233634 1.414 -4.217 -0.231 + 9109TIP3 OH233635 2.041 -4.227 0.121 + 9109TIP3 H133636 2.135 -4.235 0.098 + 9109TIP3 H233637 2.029 -4.293 0.189 + 9110TIP3 OH233638 2.599 -4.265 0.257 + 9110TIP3 H133639 2.631 -4.262 0.165 + 9110TIP3 H233640 2.583 -4.359 0.271 + 9111TIP3 OH233641 2.708 -4.272 -0.147 + 9111TIP3 H133642 2.632 -4.213 -0.168 + 9111TIP3 H233643 2.668 -4.360 -0.151 + 9112TIP3 OH233644 1.478 -2.697 -0.180 + 9112TIP3 H133645 1.421 -2.700 -0.258 + 9112TIP3 H233646 1.493 -2.601 -0.173 + 9113TIP3 OH233647 1.642 -4.128 -0.439 + 9113TIP3 H133648 1.713 -4.160 -0.497 + 9113TIP3 H233649 1.694 -4.074 -0.376 + 9114TIP3 OH233650 2.166 -4.061 -0.211 + 9114TIP3 H133651 2.173 -4.143 -0.159 + 9114TIP3 H233652 2.185 -3.991 -0.144 + 9115TIP3 OH233653 2.362 -2.515 -0.365 + 9115TIP3 H133654 2.459 -2.511 -0.371 + 9115TIP3 H233655 2.342 -2.578 -0.435 + 9116TIP3 OH233656 3.015 -2.610 -0.108 + 9116TIP3 H133657 2.989 -2.694 -0.151 + 9116TIP3 H233658 3.004 -2.548 -0.182 + 9117TIP3 OH233659 1.555 -4.179 1.039 + 9117TIP3 H133660 1.510 -4.258 1.072 + 9117TIP3 H233661 1.644 -4.215 1.027 + 9118TIP3 OH233662 1.848 -4.278 1.304 + 9118TIP3 H133663 1.935 -4.305 1.266 + 9118TIP3 H233664 1.825 -4.356 1.355 + 9119TIP3 OH233665 1.635 -2.608 -0.497 + 9119TIP3 H133666 1.617 -2.569 -0.410 + 9119TIP3 H233667 1.718 -2.655 -0.484 + 9120TIP3 OH233668 2.963 -2.734 1.130 + 9120TIP3 H133669 2.889 -2.754 1.069 + 9120TIP3 H233670 2.943 -2.640 1.151 + 9121TIP3 OH233671 4.211 -3.455 0.459 + 9121TIP3 H133672 4.292 -3.430 0.509 + 9121TIP3 H233673 4.245 -3.462 0.369 + 9122TIP3 OH233674 3.514 -3.464 0.618 + 9122TIP3 H133675 3.513 -3.539 0.681 + 9122TIP3 H233676 3.587 -3.410 0.654 + 9123TIP3 OH233677 3.581 -3.000 0.469 + 9123TIP3 H133678 3.556 -3.091 0.443 + 9123TIP3 H233679 3.674 -3.014 0.491 + 9124TIP3 OH233680 3.280 -3.661 0.007 + 9124TIP3 H133681 3.240 -3.573 0.015 + 9124TIP3 H233682 3.207 -3.710 -0.033 + 9125TIP3 OH233683 3.361 -3.413 0.193 + 9125TIP3 H133684 3.375 -3.497 0.241 + 9125TIP3 H233685 3.444 -3.405 0.145 + 9126TIP3 OH233686 4.120 -3.171 0.518 + 9126TIP3 H133687 4.144 -3.246 0.462 + 9126TIP3 H233688 4.203 -3.151 0.562 + 9127TIP3 OH233689 3.742 -3.941 0.269 + 9127TIP3 H133690 3.759 -3.856 0.225 + 9127TIP3 H233691 3.708 -3.993 0.194 + 9128TIP3 OH233692 3.412 -3.662 0.316 + 9128TIP3 H133693 3.473 -3.711 0.374 + 9128TIP3 H233694 3.420 -3.712 0.233 + 9129TIP3 OH233695 3.951 -3.528 0.265 + 9129TIP3 H133696 4.027 -3.581 0.299 + 9129TIP3 H233697 3.902 -3.598 0.217 + 9130TIP3 OH233698 3.622 -4.056 0.685 + 9130TIP3 H133699 3.589 -4.001 0.612 + 9130TIP3 H233700 3.555 -4.036 0.753 + 9131TIP3 OH233701 3.916 -3.276 0.697 + 9131TIP3 H133702 3.843 -3.215 0.722 + 9131TIP3 H233703 3.981 -3.215 0.658 + 9132TIP3 OH233704 3.584 -3.856 0.478 + 9132TIP3 H133705 3.647 -3.795 0.521 + 9132TIP3 H233706 3.640 -3.890 0.405 + 9133TIP3 OH233707 3.715 -3.083 0.769 + 9133TIP3 H133708 3.712 -2.991 0.736 + 9133TIP3 H233709 3.628 -3.089 0.812 + 9134TIP3 OH233710 3.348 -3.112 -0.144 + 9134TIP3 H133711 3.327 -3.063 -0.226 + 9134TIP3 H233712 3.363 -3.041 -0.078 + 9135TIP3 OH233713 4.048 4.380 0.411 + 9135TIP3 H133714 4.042 4.283 0.418 + 9135TIP3 H233715 3.960 4.411 0.439 + 9136TIP3 OH233716 4.267 -3.428 -0.143 + 9136TIP3 H133717 4.198 -3.360 -0.152 + 9136TIP3 H233718 4.330 -3.400 -0.208 + 9137TIP3 OH233719 4.291 -3.579 -0.424 + 9137TIP3 H133720 4.367 -3.584 -0.364 + 9137TIP3 H233721 4.293 -3.662 -0.472 + 9138TIP3 OH233722 3.759 -3.339 0.156 + 9138TIP3 H133723 3.728 -3.382 0.074 + 9138TIP3 H233724 3.823 -3.404 0.190 + 9139TIP3 OH233725 3.898 -2.998 0.431 + 9139TIP3 H133726 3.888 -3.039 0.344 + 9139TIP3 H233727 3.977 -3.045 0.465 + 9140TIP3 OH233728 3.816 -3.457 0.504 + 9140TIP3 H133729 3.875 -3.459 0.427 + 9140TIP3 H233730 3.858 -3.391 0.562 + 9141TIP3 OH233731 3.904 -3.021 0.986 + 9141TIP3 H133732 3.851 -2.957 1.036 + 9141TIP3 H233733 3.840 -3.050 0.918 + 9142TIP3 OH233734 3.595 -3.386 0.901 + 9142TIP3 H133735 3.599 -3.328 0.978 + 9142TIP3 H233736 3.499 -3.398 0.891 + 9143TIP3 OH233737 4.250 -2.815 0.075 + 9143TIP3 H133738 4.299 -2.765 0.143 + 9143TIP3 H233739 4.199 -2.745 0.032 + 9144TIP3 OH233740 3.710 -2.802 1.071 + 9144TIP3 H133741 3.700 -2.803 0.974 + 9144TIP3 H233742 3.622 -2.833 1.102 + 9145TIP3 OH233743 3.650 -3.463 -0.091 + 9145TIP3 H133744 3.630 -3.387 -0.148 + 9145TIP3 H233745 3.583 -3.527 -0.119 + 9146TIP3 OH233746 3.257 -3.196 0.781 + 9146TIP3 H133747 3.212 -3.196 0.695 + 9146TIP3 H233748 3.269 -3.291 0.798 + 9147TIP3 OH233749 3.262 -2.901 0.473 + 9147TIP3 H133750 3.354 -2.933 0.480 + 9147TIP3 H233751 3.256 -2.844 0.551 + 9148TIP3 OH233752 4.172 -2.920 0.936 + 9148TIP3 H133753 4.179 -2.832 0.976 + 9148TIP3 H233754 4.082 -2.949 0.959 + 9149TIP3 OH233755 4.178 -2.534 -0.073 + 9149TIP3 H133756 4.204 -2.538 -0.166 + 9149TIP3 H233757 4.211 -2.449 -0.043 + 9150TIP3 OH233758 3.574 -2.622 0.092 + 9150TIP3 H133759 3.587 -2.670 0.177 + 9150TIP3 H233760 3.493 -2.664 0.060 + 9151TIP3 OH233761 3.474 -3.040 0.907 + 9151TIP3 H133762 3.502 -3.089 0.987 + 9151TIP3 H233763 3.401 -3.095 0.872 + 9152TIP3 OH233764 3.798 -4.221 0.499 + 9152TIP3 H133765 3.716 -4.247 0.454 + 9152TIP3 H233766 3.771 -4.137 0.539 + 9153TIP3 OH233767 4.226 -4.306 0.859 + 9153TIP3 H133768 4.256 -4.315 0.950 + 9153TIP3 H233769 4.133 -4.280 0.870 + 9154TIP3 OH233770 4.225 -3.988 -0.428 + 9154TIP3 H133771 4.164 -4.000 -0.353 + 9154TIP3 H233772 4.186 -4.052 -0.490 + 9155TIP3 OH233773 3.779 -3.714 0.624 + 9155TIP3 H133774 3.717 -3.703 0.698 + 9155TIP3 H233775 3.787 -3.624 0.587 + 9156TIP3 OH233776 3.774 -3.710 0.113 + 9156TIP3 H133777 3.679 -3.718 0.096 + 9156TIP3 H233778 3.810 -3.726 0.023 + 9157TIP3 OH233779 4.278 -3.671 0.062 + 9157TIP3 H133780 4.280 -3.575 0.045 + 9157TIP3 H233781 4.371 -3.695 0.072 + 9158TIP3 OH233782 4.250 -3.626 1.144 + 9158TIP3 H133783 4.193 -3.705 1.156 + 9158TIP3 H233784 4.337 -3.670 1.147 + 9159TIP3 OH233785 3.520 -3.697 0.806 + 9159TIP3 H133786 3.542 -3.668 0.895 + 9159TIP3 H233787 3.478 -3.784 0.823 + 9160TIP3 OH233788 3.859 -3.936 -0.534 + 9160TIP3 H133789 3.822 -3.977 -0.454 + 9160TIP3 H233790 3.782 -3.926 -0.591 + 9161TIP3 OH233791 3.197 -3.955 0.170 + 9161TIP3 H133792 3.254 -3.956 0.249 + 9161TIP3 H233793 3.253 -3.994 0.101 + 9162TIP3 OH233794 3.357 -3.911 -0.257 + 9162TIP3 H133795 3.411 -3.860 -0.322 + 9162TIP3 H233796 3.286 -3.847 -0.240 + 9163TIP3 OH233797 4.351 -3.572 0.748 + 9163TIP3 H133798 4.380 -3.638 0.682 + 9163TIP3 H233799 4.272 -3.616 0.783 + 9164TIP3 OH233800 4.050 -3.970 0.209 + 9164TIP3 H133801 3.957 -3.963 0.236 + 9164TIP3 H233802 4.095 -3.955 0.294 + 9165TIP3 OH233803 3.509 -3.826 0.082 + 9165TIP3 H133804 3.427 -3.799 0.036 + 9165TIP3 H233805 3.535 -3.908 0.035 + 9166TIP3 OH233806 3.869 -3.791 -0.149 + 9166TIP3 H133807 3.966 -3.784 -0.145 + 9166TIP3 H233808 3.844 -3.732 -0.222 + 9167TIP3 OH233809 3.722 -3.670 -0.374 + 9167TIP3 H133810 3.662 -3.694 -0.446 + 9167TIP3 H233811 3.804 -3.654 -0.424 + 9168TIP3 OH233812 3.582 -3.193 1.124 + 9168TIP3 H133813 3.650 -3.186 1.195 + 9168TIP3 H233814 3.502 -3.197 1.180 + 9169TIP3 OH233815 4.139 -3.734 0.356 + 9169TIP3 H133816 4.216 -3.765 0.309 + 9169TIP3 H233817 4.165 -3.746 0.449 + 9170TIP3 OH233818 3.667 -4.066 0.020 + 9170TIP3 H133819 3.621 -4.151 0.031 + 9170TIP3 H233820 3.751 -4.094 -0.020 + 9171TIP3 OH233821 4.049 -3.859 0.628 + 9171TIP3 H133822 3.980 -3.793 0.609 + 9171TIP3 H233823 4.100 -3.815 0.698 + 9172TIP3 OH233824 4.073 -3.225 -0.185 + 9172TIP3 H133825 3.994 -3.270 -0.222 + 9172TIP3 H233826 4.049 -3.214 -0.090 + 9173TIP3 OH233827 4.205 -3.224 0.938 + 9173TIP3 H133828 4.184 -3.234 1.031 + 9173TIP3 H233829 4.214 -3.128 0.927 + 9174TIP3 OH233830 3.580 -3.270 0.393 + 9174TIP3 H133831 3.635 -3.281 0.314 + 9174TIP3 H233832 3.589 -3.356 0.437 + 9175TIP3 OH233833 4.286 -3.082 -0.289 + 9175TIP3 H133834 4.260 -2.993 -0.259 + 9175TIP3 H233835 4.211 -3.135 -0.256 + 9176TIP3 OH233836 3.303 -3.443 0.920 + 9176TIP3 H133837 3.319 -3.489 1.005 + 9176TIP3 H233838 3.244 -3.504 0.873 + 9177TIP3 OH233839 4.002 -3.492 1.122 + 9177TIP3 H133840 3.966 -3.523 1.037 + 9177TIP3 H233841 4.095 -3.518 1.112 + 9178TIP3 OH233842 3.815 -2.942 0.119 + 9178TIP3 H133843 3.858 -2.856 0.106 + 9178TIP3 H233844 3.723 -2.923 0.094 + 9179TIP3 OH233845 3.415 -3.463 -0.420 + 9179TIP3 H133846 3.473 -3.394 -0.381 + 9179TIP3 H233847 3.328 -3.435 -0.388 + 9180TIP3 OH233848 3.995 -3.174 0.079 + 9180TIP3 H133849 3.968 -3.082 0.095 + 9180TIP3 H233850 3.924 -3.223 0.122 + 9181TIP3 OH233851 4.020 -2.743 0.721 + 9181TIP3 H133852 4.079 -2.673 0.686 + 9181TIP3 H233853 4.083 -2.798 0.769 + 9182TIP3 OH233854 3.859 -2.652 0.041 + 9182TIP3 H133855 3.763 -2.637 0.049 + 9182TIP3 H233856 3.895 -2.564 0.063 + 9183TIP3 OH233857 3.437 -3.961 0.879 + 9183TIP3 H133858 3.346 -3.943 0.847 + 9183TIP3 H233859 3.422 -4.047 0.922 + 9184TIP3 OH233860 3.414 -2.802 0.721 + 9184TIP3 H133861 3.440 -2.894 0.735 + 9184TIP3 H233862 3.435 -2.765 0.808 + 9185TIP3 OH233863 3.994 -2.933 -0.577 + 9185TIP3 H133864 4.030 -3.010 -0.626 + 9185TIP3 H233865 3.957 -2.977 -0.499 + 9186TIP3 OH233866 3.887 -2.990 -0.303 + 9186TIP3 H133867 3.934 -3.040 -0.235 + 9186TIP3 H233868 3.899 -2.898 -0.272 + 9187TIP3 OH233869 3.567 -3.241 -0.266 + 9187TIP3 H133870 3.493 -3.203 -0.214 + 9187TIP3 H233871 3.612 -3.160 -0.295 + 9188TIP3 OH233872 4.330 -3.929 0.794 + 9188TIP3 H133873 4.391 -4.003 0.782 + 9188TIP3 H233874 4.269 -3.954 0.722 + 9189TIP3 OH233875 4.169 -2.822 -0.249 + 9189TIP3 H133876 4.088 -2.773 -0.229 + 9189TIP3 H233877 4.209 -2.769 -0.318 + 9190TIP3 OH233878 4.133 -3.868 -0.042 + 9190TIP3 H133879 4.195 -3.796 -0.014 + 9190TIP3 H233880 4.097 -3.889 0.046 + 9191TIP3 OH233881 4.147 -3.763 0.891 + 9191TIP3 H133882 4.184 -3.702 0.956 + 9191TIP3 H233883 4.221 -3.826 0.876 + 9192TIP3 OH233884 4.203 -4.171 0.088 + 9192TIP3 H133885 4.170 -4.084 0.121 + 9192TIP3 H233886 4.269 -4.146 0.021 + 9193TIP3 OH233887 3.895 -2.717 -0.244 + 9193TIP3 H133888 3.889 -2.636 -0.298 + 9193TIP3 H233889 3.882 -2.682 -0.154 + 9194TIP3 OH233890 3.766 -4.050 -0.292 + 9194TIP3 H133891 3.767 -3.968 -0.240 + 9194TIP3 H233892 3.855 -4.084 -0.272 + 9195TIP3 OH233893 3.611 -2.961 -0.389 + 9195TIP3 H133894 3.685 -2.911 -0.349 + 9195TIP3 H233895 3.659 -3.010 -0.456 + 9196TIP3 OH233896 3.424 -3.743 -0.479 + 9196TIP3 H133897 3.436 -3.649 -0.456 + 9196TIP3 H233898 3.337 -3.743 -0.520 + 9197TIP3 OH233899 3.435 -4.242 0.417 + 9197TIP3 H133900 3.476 -4.243 0.330 + 9197TIP3 H233901 3.457 -4.332 0.446 + 9198TIP3 OH233902 3.407 -2.888 0.029 + 9198TIP3 H133903 3.327 -2.838 0.052 + 9198TIP3 H233904 3.441 -2.836 -0.045 + 9199TIP3 OH233905 3.346 -2.597 1.140 + 9199TIP3 H133906 3.404 -2.625 1.213 + 9199TIP3 H233907 3.307 -2.682 1.112 + 9200TIP3 OH233908 3.818 -2.689 1.319 + 9200TIP3 H133909 3.882 -2.758 1.342 + 9200TIP3 H233910 3.790 -2.718 1.231 + 9201TIP3 OH233911 4.230 -2.768 -0.544 + 9201TIP3 H133912 4.147 -2.820 -0.545 + 9201TIP3 H233913 4.294 -2.841 -0.559 + 9202TIP3 OH233914 3.341 -3.235 1.254 + 9202TIP3 H133915 3.350 -3.326 1.221 + 9202TIP3 H233916 3.264 -3.204 1.203 + 9203TIP3 OH233917 3.763 -3.192 -0.543 + 9203TIP3 H133918 3.779 -3.251 -0.468 + 9203TIP3 H233919 3.848 -3.196 -0.589 + 9204TIP3 OH233920 4.007 -3.214 1.187 + 9204TIP3 H133921 3.979 -3.182 1.099 + 9204TIP3 H233922 4.015 -3.310 1.173 + 9205TIP3 OH233923 4.261 -3.060 -0.589 + 9205TIP3 H133924 4.278 -3.050 -0.494 + 9205TIP3 H233925 4.242 -3.155 -0.595 + 9206TIP3 OH233926 3.428 -3.522 1.172 + 9206TIP3 H133927 3.502 -3.585 1.173 + 9206TIP3 H233928 3.422 -3.500 1.266 + 9207TIP3 OH233929 3.871 -3.386 -0.312 + 9207TIP3 H133930 3.809 -3.436 -0.257 + 9207TIP3 H233931 3.902 -3.457 -0.373 + 9208TIP3 OH233932 3.797 -3.604 0.920 + 9208TIP3 H133933 3.739 -3.527 0.934 + 9208TIP3 H233934 3.852 -3.574 0.846 + 9209TIP3 OH233935 3.979 -3.585 -0.481 + 9209TIP3 H133936 3.969 -3.579 -0.578 + 9209TIP3 H233937 4.074 -3.572 -0.471 + 9210TIP3 OH233938 4.283 -3.359 1.287 + 9210TIP3 H133939 4.353 -3.389 1.228 + 9210TIP3 H233940 4.266 -3.440 1.337 + 9211TIP3 OH233941 3.853 -3.879 1.029 + 9211TIP3 H133942 3.863 -3.942 0.957 + 9211TIP3 H233943 3.840 -3.796 0.980 + 9212TIP3 OH233944 3.891 -4.037 0.767 + 9212TIP3 H133945 3.942 -3.978 0.708 + 9212TIP3 H233946 3.800 -4.025 0.734 + 9213TIP3 OH233947 4.068 -3.493 0.804 + 9213TIP3 H133948 4.136 -3.491 0.736 + 9213TIP3 H233949 4.029 -3.405 0.793 + 9214TIP3 OH233950 3.675 -3.698 1.212 + 9214TIP3 H133951 3.622 -3.780 1.209 + 9214TIP3 H233952 3.754 -3.725 1.162 + 9215TIP3 OH233953 3.934 -4.272 0.893 + 9215TIP3 H133954 3.944 -4.183 0.852 + 9215TIP3 H233955 3.844 -4.291 0.865 + 9216TIP3 OH233956 4.106 -3.856 1.184 + 9216TIP3 H133957 4.069 -3.887 1.268 + 9216TIP3 H233958 4.031 -3.875 1.124 + 9217TIP3 OH233959 3.552 -3.959 1.196 + 9217TIP3 H133960 3.526 -4.020 1.124 + 9217TIP3 H233961 3.507 -3.998 1.273 + 9218TIP3 OH233962 4.054 -4.146 1.300 + 9218TIP3 H133963 4.028 -4.228 1.255 + 9218TIP3 H233964 3.970 -4.096 1.303 + 9219TIP3 OH233965 3.956 -2.458 -0.369 + 9219TIP3 H133966 4.053 -2.456 -0.369 + 9219TIP3 H233967 3.937 -2.417 -0.454 + 9220TIP3 OH233968 3.335 -3.021 -0.419 + 9220TIP3 H133969 3.430 -3.002 -0.408 + 9220TIP3 H233970 3.335 -3.098 -0.479 + 9221TIP3 OH233971 3.234 -2.500 0.051 + 9221TIP3 H133972 3.163 -2.537 -0.004 + 9221TIP3 H233973 3.242 -2.569 0.121 + 9222TIP3 OH233974 3.273 -2.698 0.251 + 9222TIP3 H133975 3.243 -2.786 0.281 + 9222TIP3 H233976 3.305 -2.663 0.335 + 9223TIP3 OH233977 3.280 -3.364 0.491 + 9223TIP3 H133978 3.305 -3.359 0.397 + 9223TIP3 H233979 3.367 -3.386 0.531 + 9224TIP3 OH233980 3.267 -3.836 1.147 + 9224TIP3 H133981 3.358 -3.859 1.125 + 9224TIP3 H233982 3.222 -3.921 1.140 + 9225TIP3 OH233983 3.341 -3.990 0.412 + 9225TIP3 H133984 3.372 -4.082 0.421 + 9225TIP3 H233985 3.417 -3.940 0.448 + 9226TIP3 OH233986 3.202 -3.728 0.515 + 9226TIP3 H133987 3.261 -3.733 0.438 + 9226TIP3 H233988 3.240 -3.652 0.562 + 9227TIP3 OH233989 3.256 -4.103 -0.080 + 9227TIP3 H133990 3.161 -4.094 -0.099 + 9227TIP3 H233991 3.295 -4.034 -0.137 + 9228TIP3 OH233992 3.233 -4.126 0.773 + 9228TIP3 H133993 3.233 -4.221 0.799 + 9228TIP3 H233994 3.213 -4.134 0.678 + 9229TIP3 OH233995 3.456 -2.892 1.205 + 9229TIP3 H133996 3.384 -2.900 1.140 + 9229TIP3 H233997 3.408 -2.903 1.289 + 9230TIP3 OH233998 3.740 -2.797 0.772 + 9230TIP3 H133999 3.710 -2.713 0.736 + 9230TIP3 H234000 3.836 -2.789 0.755 + 9231TIP3 OH234001 4.219 -2.633 1.062 + 9231TIP3 H134002 4.205 -2.672 1.150 + 9231TIP3 H234003 4.314 -2.614 1.067 + 9232TIP3 OH234004 3.480 -2.498 0.806 + 9232TIP3 H134005 3.417 -2.440 0.760 + 9232TIP3 H234006 3.439 -2.504 0.893 + 9233TIP3 OH234007 3.730 -2.522 0.665 + 9233TIP3 H134008 3.643 -2.507 0.707 + 9233TIP3 H234009 3.730 -2.457 0.592 + 9234TIP3 OH234010 4.195 -2.548 0.618 + 9234TIP3 H134011 4.178 -2.500 0.535 + 9234TIP3 H234012 4.258 -2.490 0.663 + 9235TIP3 OH234013 3.438 -2.621 0.502 + 9235TIP3 H134014 3.434 -2.673 0.585 + 9235TIP3 H234015 3.510 -2.668 0.455 + 9236TIP3 OH234016 3.636 -2.747 0.345 + 9236TIP3 H134017 3.621 -2.841 0.369 + 9236TIP3 H234018 3.728 -2.734 0.375 + 9237TIP3 OH234019 3.913 -2.698 0.432 + 9237TIP3 H134020 3.935 -2.790 0.408 + 9237TIP3 H234021 3.921 -2.703 0.529 + 9238TIP3 OH234022 4.258 -4.142 0.369 + 9238TIP3 H134023 4.180 -4.198 0.385 + 9238TIP3 H234024 4.288 -4.176 0.284 + 9239TIP3 OH234025 3.478 -4.282 0.093 + 9239TIP3 H134026 3.387 -4.306 0.072 + 9239TIP3 H234027 3.513 -4.365 0.127 + 9240TIP3 OH234028 3.337 -4.291 -0.282 + 9240TIP3 H134029 3.383 -4.245 -0.354 + 9240TIP3 H234030 3.302 -4.216 -0.230 + 9241TIP3 OH234031 3.934 -4.248 0.100 + 9241TIP3 H134032 4.029 -4.225 0.105 + 9241TIP3 H234033 3.919 -4.288 0.186 + 9242TIP3 OH234034 3.381 -2.696 -0.177 + 9242TIP3 H134035 3.316 -2.710 -0.248 + 9242TIP3 H234036 3.378 -2.599 -0.170 + 9243TIP3 OH234037 3.529 -4.124 -0.442 + 9243TIP3 H134038 3.599 -4.163 -0.497 + 9243TIP3 H234039 3.582 -4.074 -0.378 + 9244TIP3 OH234040 4.053 -4.063 -0.217 + 9244TIP3 H134041 4.065 -4.149 -0.172 + 9244TIP3 H234042 4.064 -3.998 -0.145 + 9245TIP3 OH234043 4.263 -2.532 -0.369 + 9245TIP3 H134044 4.352 -2.495 -0.387 + 9245TIP3 H234045 4.249 -2.591 -0.445 + 9246TIP3 OH234046 3.441 -4.178 1.041 + 9246TIP3 H134047 3.395 -4.258 1.071 + 9246TIP3 H234048 3.529 -4.216 1.026 + 9247TIP3 OH234049 3.733 -4.278 1.305 + 9247TIP3 H134050 3.820 -4.304 1.267 + 9247TIP3 H234051 3.708 -4.359 1.351 + 9248TIP3 OH234052 3.524 -2.602 -0.497 + 9248TIP3 H134053 3.498 -2.574 -0.408 + 9248TIP3 H234054 3.600 -2.659 -0.481 + 9249TIP3 OH234055 -3.162 -1.481 0.142 + 9249TIP3 H134056 -3.157 -1.385 0.157 + 9249TIP3 H234057 -3.242 -1.487 0.090 + 9250TIP3 OH234058 -3.266 -1.533 0.451 + 9250TIP3 H134059 -3.265 -1.585 0.534 + 9250TIP3 H234060 -3.288 -1.599 0.384 + 9251TIP3 OH234061 -4.031 -1.577 0.619 + 9251TIP3 H134062 -4.030 -1.651 0.682 + 9251TIP3 H234063 -3.956 -1.524 0.650 + 9252TIP3 OH234064 -2.904 -1.249 0.301 + 9252TIP3 H134065 -2.936 -1.315 0.363 + 9252TIP3 H234066 -2.893 -1.172 0.357 + 9253TIP3 OH234067 -3.958 -1.116 0.470 + 9253TIP3 H134068 -3.982 -1.205 0.439 + 9253TIP3 H234069 -3.861 -1.126 0.480 + 9254TIP3 OH234070 -4.297 -1.737 0.068 + 9254TIP3 H134071 -4.300 -1.653 0.117 + 9254TIP3 H234072 -4.389 -1.762 0.059 + 9255TIP3 OH234073 -4.211 -1.517 0.202 + 9255TIP3 H134074 -4.176 -1.590 0.258 + 9255TIP3 H234075 -4.129 -1.480 0.167 + 9256TIP3 OH234076 -3.419 -1.290 0.514 + 9256TIP3 H134077 -3.380 -1.361 0.460 + 9256TIP3 H234078 -3.338 -1.267 0.565 + 9257TIP3 OH234079 -2.558 -2.131 0.565 + 9257TIP3 H134080 -2.533 -2.078 0.643 + 9257TIP3 H234081 -2.487 -2.108 0.502 + 9258TIP3 OH234082 -3.099 -1.854 0.559 + 9258TIP3 H134083 -3.082 -1.949 0.562 + 9258TIP3 H234084 -3.104 -1.838 0.463 + 9259TIP3 OH234085 -3.803 -2.052 0.267 + 9259TIP3 H134086 -3.784 -1.966 0.222 + 9259TIP3 H234087 -3.834 -2.105 0.191 + 9260TIP3 OH234088 -3.013 -2.034 0.098 + 9260TIP3 H134089 -2.958 -2.075 0.168 + 9260TIP3 H234090 -2.944 -1.992 0.044 + 9261TIP3 OH234091 -4.140 -1.775 0.328 + 9261TIP3 H134092 -4.074 -1.821 0.382 + 9261TIP3 H234093 -4.128 -1.819 0.242 + 9262TIP3 OH234094 -3.592 -1.638 0.261 + 9262TIP3 H134095 -3.521 -1.691 0.302 + 9262TIP3 H234096 -3.644 -1.707 0.216 + 9263TIP3 OH234097 -2.504 -2.005 0.811 + 9263TIP3 H134098 -2.526 -1.914 0.787 + 9263TIP3 H234099 -2.488 -1.994 0.905 + 9264TIP3 OH234100 -3.920 -2.171 0.683 + 9264TIP3 H134101 -3.962 -2.125 0.610 + 9264TIP3 H234102 -3.981 -2.152 0.757 + 9265TIP3 OH234103 -3.173 -1.204 0.025 + 9265TIP3 H134104 -3.211 -1.214 -0.061 + 9265TIP3 H234105 -3.202 -1.114 0.050 + 9266TIP3 OH234106 -3.628 -1.385 0.694 + 9266TIP3 H134107 -3.698 -1.320 0.716 + 9266TIP3 H234108 -3.561 -1.329 0.650 + 9267TIP3 OH234109 -2.832 -2.104 0.307 + 9267TIP3 H134110 -2.864 -2.164 0.375 + 9267TIP3 H234111 -2.768 -2.050 0.357 + 9268TIP3 OH234112 -3.959 -1.965 0.475 + 9268TIP3 H134113 -3.894 -1.909 0.522 + 9268TIP3 H234114 -3.901 -2.002 0.405 + 9269TIP3 OH234115 -3.829 -1.197 0.769 + 9269TIP3 H134116 -3.827 -1.109 0.727 + 9269TIP3 H234117 -3.918 -1.196 0.809 + 9270TIP3 OH234118 -4.185 -1.237 -0.147 + 9270TIP3 H134119 -4.268 -1.217 -0.195 + 9270TIP3 H234120 -4.186 -1.171 -0.075 + 9271TIP3 OH234121 -2.815 -2.198 0.683 + 9271TIP3 H134122 -2.891 -2.156 0.639 + 9271TIP3 H234123 -2.741 -2.174 0.624 + 9272TIP3 OH234124 -3.506 -2.423 0.389 + 9272TIP3 H134125 -3.527 -2.519 0.386 + 9272TIP3 H234126 -3.588 -2.386 0.428 + 9273TIP3 OH234127 -2.865 -1.087 0.029 + 9273TIP3 H134128 -2.936 -1.139 -0.008 + 9273TIP3 H234129 -2.879 -1.102 0.124 + 9274TIP3 OH234130 -3.320 -1.481 -0.153 + 9274TIP3 H134131 -3.369 -1.507 -0.231 + 9274TIP3 H234132 -3.228 -1.501 -0.181 + 9275TIP3 OH234133 -3.277 -1.708 -0.422 + 9275TIP3 H134134 -3.203 -1.680 -0.365 + 9275TIP3 H234135 -3.230 -1.769 -0.481 + 9276TIP3 OH234136 -2.948 -1.534 -0.024 + 9276TIP3 H134137 -3.009 -1.508 0.049 + 9276TIP3 H234138 -2.880 -1.583 0.027 + 9277TIP3 OH234139 -2.958 -1.680 0.863 + 9277TIP3 H134140 -2.964 -1.610 0.930 + 9277TIP3 H234141 -3.010 -1.641 0.791 + 9278TIP3 OH234142 -3.791 -1.458 0.154 + 9278TIP3 H134143 -3.810 -1.502 0.069 + 9278TIP3 H234144 -3.719 -1.512 0.190 + 9279TIP3 OH234145 -3.668 -1.130 0.439 + 9279TIP3 H134146 -3.654 -1.132 0.343 + 9279TIP3 H234147 -3.576 -1.137 0.471 + 9280TIP3 OH234148 -3.729 -1.568 0.504 + 9280TIP3 H134149 -3.670 -1.565 0.426 + 9280TIP3 H234150 -3.688 -1.502 0.563 + 9281TIP3 OH234151 -3.647 -1.144 0.993 + 9281TIP3 H134152 -3.695 -1.069 1.033 + 9281TIP3 H234153 -3.704 -1.165 0.916 + 9282TIP3 OH234154 -3.065 -1.575 -0.273 + 9282TIP3 H134155 -3.011 -1.556 -0.193 + 9282TIP3 H234156 -3.009 -1.531 -0.342 + 9283TIP3 OH234157 -3.957 -1.506 0.906 + 9283TIP3 H134158 -3.946 -1.443 0.979 + 9283TIP3 H234159 -4.053 -1.506 0.893 + 9284TIP3 OH234160 -3.283 -0.916 0.082 + 9284TIP3 H134161 -3.227 -0.893 0.158 + 9284TIP3 H234162 -3.344 -0.841 0.079 + 9285TIP3 OH234163 -3.836 -0.919 1.073 + 9285TIP3 H134164 -3.838 -0.912 0.976 + 9285TIP3 H234165 -3.927 -0.942 1.096 + 9286TIP3 OH234166 -2.706 -2.408 -0.331 + 9286TIP3 H134167 -2.790 -2.400 -0.282 + 9286TIP3 H234168 -2.668 -2.319 -0.321 + 9287TIP3 OH234169 -3.871 -1.571 -0.096 + 9287TIP3 H134170 -3.905 -1.497 -0.148 + 9287TIP3 H234171 -3.934 -1.641 -0.119 + 9288TIP3 OH234172 -4.273 -1.296 0.762 + 9288TIP3 H134173 -4.288 -1.328 0.671 + 9288TIP3 H234174 -4.301 -1.374 0.813 + 9289TIP3 OH234175 -4.285 -1.023 0.462 + 9289TIP3 H134176 -4.195 -1.056 0.474 + 9289TIP3 H234177 -4.296 -0.965 0.538 + 9290TIP3 OH234178 -3.375 -1.040 0.938 + 9290TIP3 H134179 -3.372 -0.950 0.972 + 9290TIP3 H234180 -3.469 -1.064 0.951 + 9291TIP3 OH234181 -3.359 -0.650 -0.082 + 9291TIP3 H134182 -3.339 -0.632 -0.175 + 9291TIP3 H234183 -3.343 -0.565 -0.038 + 9292TIP3 OH234184 -3.979 -0.742 0.097 + 9292TIP3 H134185 -3.945 -0.777 0.182 + 9292TIP3 H234186 -4.059 -0.795 0.086 + 9293TIP3 OH234187 -3.015 -0.713 -0.356 + 9293TIP3 H134188 -2.970 -0.790 -0.395 + 9293TIP3 H234189 -3.013 -0.736 -0.260 + 9294TIP3 OH234190 -3.066 -0.759 -0.070 + 9294TIP3 H134191 -3.159 -0.757 -0.043 + 9294TIP3 H234192 -3.029 -0.810 0.004 + 9295TIP3 OH234193 -2.798 -1.833 1.098 + 9295TIP3 H134194 -2.817 -1.787 1.016 + 9295TIP3 H234195 -2.770 -1.921 1.066 + 9296TIP3 OH234196 -4.076 -1.154 0.917 + 9296TIP3 H134197 -4.040 -1.217 0.981 + 9296TIP3 H234198 -4.147 -1.204 0.872 + 9297TIP3 OH234199 -3.749 -2.310 0.483 + 9297TIP3 H134200 -3.831 -2.317 0.432 + 9297TIP3 H234201 -3.770 -2.235 0.541 + 9298TIP3 OH234202 -3.311 -2.351 0.849 + 9298TIP3 H134203 -3.257 -2.404 0.911 + 9298TIP3 H234204 -3.401 -2.387 0.860 + 9299TIP3 OH234205 -2.999 -1.975 0.889 + 9299TIP3 H134206 -3.048 -1.986 0.972 + 9299TIP3 H234207 -2.994 -1.878 0.879 + 9300TIP3 OH234208 -2.900 -1.479 -0.476 + 9300TIP3 H134209 -2.914 -1.502 -0.569 + 9300TIP3 H234210 -2.805 -1.458 -0.477 + 9301TIP3 OH234211 -3.335 -2.095 -0.427 + 9301TIP3 H134212 -3.377 -2.115 -0.342 + 9301TIP3 H234213 -3.369 -2.167 -0.482 + 9302TIP3 OH234214 -3.766 -1.829 0.620 + 9302TIP3 H134215 -3.815 -1.814 0.702 + 9302TIP3 H234216 -3.752 -1.738 0.587 + 9303TIP3 OH234217 -3.773 -1.822 0.110 + 9303TIP3 H134218 -3.868 -1.835 0.092 + 9303TIP3 H234219 -3.735 -1.840 0.022 + 9304TIP3 OH234220 -3.214 -1.758 -0.019 + 9304TIP3 H134221 -3.254 -1.677 -0.052 + 9304TIP3 H234222 -3.138 -1.770 -0.078 + 9305TIP3 OH234223 -3.288 -1.743 1.130 + 9305TIP3 H134224 -3.339 -1.821 1.159 + 9305TIP3 H234225 -3.200 -1.762 1.166 + 9306TIP3 OH234226 -3.127 -1.827 0.266 + 9306TIP3 H134227 -3.149 -1.766 0.193 + 9306TIP3 H234228 -3.099 -1.905 0.213 + 9307TIP3 OH234229 -4.036 -1.811 0.811 + 9307TIP3 H134230 -3.990 -1.777 0.888 + 9307TIP3 H234231 -4.050 -1.904 0.835 + 9308TIP3 OH234232 -3.690 -2.041 -0.529 + 9308TIP3 H134233 -3.724 -2.088 -0.451 + 9308TIP3 H234234 -3.765 -2.041 -0.589 + 9309TIP3 OH234235 -4.327 -2.051 0.167 + 9309TIP3 H134236 -4.308 -2.072 0.260 + 9309TIP3 H234237 -4.280 -2.122 0.122 + 9310TIP3 OH234238 -4.199 -2.018 -0.242 + 9310TIP3 H134239 -4.146 -1.990 -0.320 + 9310TIP3 H234240 -4.283 -1.974 -0.261 + 9311TIP3 OH234241 -3.220 -1.662 0.712 + 9311TIP3 H134242 -3.168 -1.727 0.662 + 9311TIP3 H234243 -3.240 -1.711 0.793 + 9312TIP3 OH234244 -3.492 -2.063 0.213 + 9312TIP3 H134245 -3.585 -2.069 0.241 + 9312TIP3 H234246 -3.445 -2.079 0.297 + 9313TIP3 OH234247 -4.036 -1.934 0.072 + 9313TIP3 H134248 -4.127 -1.932 0.040 + 9313TIP3 H234249 -4.003 -2.019 0.038 + 9314TIP3 OH234250 -3.672 -1.908 -0.151 + 9314TIP3 H134251 -3.576 -1.903 -0.140 + 9314TIP3 H234252 -3.693 -1.840 -0.217 + 9315TIP3 OH234253 -3.052 -2.149 0.518 + 9315TIP3 H134254 -3.117 -2.148 0.591 + 9315TIP3 H234255 -3.108 -2.181 0.446 + 9316TIP3 OH234256 -3.835 -1.772 -0.374 + 9316TIP3 H134257 -3.882 -1.815 -0.447 + 9316TIP3 H234258 -3.749 -1.754 -0.414 + 9317TIP3 OH234259 -2.752 -0.555 1.165 + 9317TIP3 H134260 -2.722 -0.521 1.080 + 9317TIP3 H234261 -2.672 -0.547 1.219 + 9318TIP3 OH234262 -3.956 -1.314 1.125 + 9318TIP3 H134263 -3.889 -1.308 1.197 + 9318TIP3 H234264 -4.037 -1.297 1.178 + 9319TIP3 OH234265 -3.392 -1.810 0.393 + 9319TIP3 H134266 -3.312 -1.843 0.351 + 9319TIP3 H234267 -3.401 -1.869 0.471 + 9320TIP3 OH234268 -3.873 -2.172 0.021 + 9320TIP3 H134269 -3.914 -2.259 0.026 + 9320TIP3 H234270 -3.790 -2.192 -0.025 + 9321TIP3 OH234271 -3.495 -1.968 0.623 + 9321TIP3 H134272 -3.567 -1.902 0.622 + 9321TIP3 H234273 -3.442 -1.941 0.700 + 9322TIP3 OH234274 -3.062 -2.042 -0.410 + 9322TIP3 H134275 -3.160 -2.040 -0.414 + 9322TIP3 H234276 -3.040 -1.968 -0.349 + 9323TIP3 OH234277 -3.321 -1.332 0.939 + 9323TIP3 H134278 -3.341 -1.350 1.031 + 9323TIP3 H234279 -3.328 -1.235 0.934 + 9324TIP3 OH234280 -2.996 -1.855 -0.208 + 9324TIP3 H134281 -2.912 -1.876 -0.162 + 9324TIP3 H234282 -2.975 -1.770 -0.251 + 9325TIP3 OH234283 -3.979 -1.396 0.380 + 9325TIP3 H134284 -3.909 -1.397 0.312 + 9325TIP3 H234285 -3.956 -1.474 0.433 + 9326TIP3 OH234286 -3.267 -1.202 -0.305 + 9326TIP3 H134287 -3.281 -1.111 -0.269 + 9326TIP3 H234288 -3.301 -1.258 -0.234 + 9327TIP3 OH234289 -4.245 -1.539 0.949 + 9327TIP3 H134290 -4.228 -1.606 1.017 + 9327TIP3 H234291 -4.289 -1.592 0.878 + 9328TIP3 OH234292 -3.542 -1.610 1.118 + 9328TIP3 H134293 -3.571 -1.629 1.027 + 9328TIP3 H234294 -3.448 -1.635 1.111 + 9329TIP3 OH234295 -3.072 -1.090 0.922 + 9329TIP3 H134296 -3.145 -1.057 0.869 + 9329TIP3 H234297 -3.066 -1.027 0.994 + 9330TIP3 OH234298 -2.559 -1.842 -0.214 + 9330TIP3 H134299 -2.597 -1.868 -0.299 + 9330TIP3 H234300 -2.543 -1.747 -0.231 + 9331TIP3 OH234301 -2.720 -1.009 -0.265 + 9331TIP3 H134302 -2.738 -1.043 -0.175 + 9331TIP3 H234303 -2.626 -1.027 -0.275 + 9332TIP3 OH234304 -2.981 -1.474 0.554 + 9332TIP3 H134305 -3.068 -1.481 0.511 + 9332TIP3 H234306 -2.924 -1.527 0.496 + 9333TIP3 OH234307 -3.728 -1.057 0.117 + 9333TIP3 H134308 -3.679 -0.974 0.118 + 9333TIP3 H234309 -3.817 -1.027 0.097 + 9334TIP3 OH234310 -4.154 -1.562 -0.408 + 9334TIP3 H134311 -4.086 -1.503 -0.370 + 9334TIP3 H234312 -4.235 -1.513 -0.389 + 9335TIP3 OH234313 -3.555 -1.288 0.028 + 9335TIP3 H134314 -3.562 -1.198 0.065 + 9335TIP3 H234315 -3.598 -1.339 0.098 + 9336TIP3 OH234316 -3.527 -0.858 0.730 + 9336TIP3 H134317 -3.496 -0.804 0.656 + 9336TIP3 H234318 -3.448 -0.908 0.753 + 9337TIP3 OH234319 -3.685 -0.768 0.016 + 9337TIP3 H134320 -3.774 -0.749 0.048 + 9337TIP3 H234321 -3.631 -0.717 0.079 + 9338TIP3 OH234322 -3.184 -1.285 0.662 + 9338TIP3 H134323 -3.191 -1.283 0.758 + 9338TIP3 H234324 -3.096 -1.322 0.648 + 9339TIP3 OH234325 -2.970 -1.160 -0.426 + 9339TIP3 H134326 -2.923 -1.199 -0.350 + 9339TIP3 H234327 -3.061 -1.182 -0.402 + 9340TIP3 OH234328 -4.101 -2.084 0.884 + 9340TIP3 H134329 -4.188 -2.045 0.864 + 9340TIP3 H234330 -4.122 -2.170 0.926 + 9341TIP3 OH234331 -2.861 -1.295 -0.198 + 9341TIP3 H134332 -2.887 -1.360 -0.131 + 9341TIP3 H234333 -2.768 -1.280 -0.175 + 9342TIP3 OH234334 -4.134 -0.913 0.728 + 9342TIP3 H134335 -4.105 -1.005 0.732 + 9342TIP3 H234336 -4.090 -0.877 0.807 + 9343TIP3 OH234337 -3.558 -1.053 -0.563 + 9343TIP3 H134338 -3.518 -1.125 -0.615 + 9343TIP3 H234339 -3.558 -1.089 -0.474 + 9344TIP3 OH234340 -3.978 -1.348 -0.273 + 9344TIP3 H134341 -4.054 -1.321 -0.216 + 9344TIP3 H234342 -3.945 -1.258 -0.296 + 9345TIP3 OH234343 -3.213 -2.108 0.736 + 9345TIP3 H134344 -3.147 -2.079 0.801 + 9345TIP3 H234345 -3.257 -2.182 0.781 + 9346TIP3 OH234346 -3.149 -2.160 -0.139 + 9346TIP3 H134347 -3.123 -2.110 -0.218 + 9346TIP3 H234348 -3.099 -2.115 -0.069 + 9347TIP3 OH234349 -3.371 -0.949 -0.260 + 9347TIP3 H134350 -3.438 -0.897 -0.213 + 9347TIP3 H234351 -3.315 -0.878 -0.296 + 9348TIP3 OH234352 -3.408 -1.960 -0.044 + 9348TIP3 H134353 -3.329 -1.904 -0.031 + 9348TIP3 H234354 -3.432 -1.982 0.049 + 9349TIP3 OH234355 -3.375 -1.879 0.876 + 9349TIP3 H134356 -3.362 -1.822 0.953 + 9349TIP3 H234357 -3.313 -1.951 0.892 + 9350TIP3 OH234358 -3.348 -2.263 0.048 + 9350TIP3 H134359 -3.364 -2.197 0.118 + 9350TIP3 H234360 -3.272 -2.223 0.001 + 9351TIP3 OH234361 -3.669 -0.855 -0.259 + 9351TIP3 H134362 -3.657 -0.770 -0.305 + 9351TIP3 H234363 -3.669 -0.826 -0.165 + 9352TIP3 OH234364 -3.774 -2.163 -0.292 + 9352TIP3 H134365 -3.764 -2.082 -0.237 + 9352TIP3 H234366 -3.692 -2.212 -0.267 + 9353TIP3 OH234367 -2.745 -2.072 0.965 + 9353TIP3 H134368 -2.838 -2.064 0.936 + 9353TIP3 H234369 -2.702 -2.087 0.878 + 9354TIP3 OH234370 -2.886 -1.691 0.363 + 9354TIP3 H134371 -2.968 -1.738 0.340 + 9354TIP3 H234372 -2.833 -1.761 0.409 + 9355TIP3 OH234373 -3.905 -1.084 -0.369 + 9355TIP3 H134374 -3.853 -1.005 -0.343 + 9355TIP3 H234375 -3.862 -1.108 -0.451 + 9356TIP3 OH234376 -4.114 -1.859 -0.474 + 9356TIP3 H134377 -4.112 -1.765 -0.451 + 9356TIP3 H234378 -4.196 -1.870 -0.522 + 9357TIP3 OH234379 -4.030 -2.359 0.398 + 9357TIP3 H134380 -4.058 -2.364 0.305 + 9357TIP3 H234381 -4.068 -2.442 0.435 + 9358TIP3 OH234382 -4.141 -1.004 0.022 + 9358TIP3 H134383 -4.227 -0.959 0.030 + 9358TIP3 H234384 -4.099 -0.954 -0.049 + 9359TIP3 OH234385 -4.215 -0.719 1.148 + 9359TIP3 H134386 -4.151 -0.720 1.222 + 9359TIP3 H234387 -4.214 -0.814 1.130 + 9360TIP3 OH234388 -3.722 -0.806 1.325 + 9360TIP3 H134389 -3.655 -0.875 1.339 + 9360TIP3 H234390 -3.749 -0.827 1.234 + 9361TIP3 OH234391 -3.309 -0.883 -0.550 + 9361TIP3 H134392 -3.390 -0.934 -0.533 + 9361TIP3 H234393 -3.248 -0.956 -0.569 + 9362TIP3 OH234394 -3.073 -0.957 1.214 + 9362TIP3 H134395 -3.108 -1.048 1.217 + 9362TIP3 H234396 -2.982 -0.971 1.242 + 9363TIP3 OH234397 -2.877 -0.910 -0.566 + 9363TIP3 H134398 -2.864 -0.964 -0.487 + 9363TIP3 H234399 -2.790 -0.867 -0.578 + 9364TIP3 OH234400 -4.203 -1.316 1.217 + 9364TIP3 H134401 -4.185 -1.401 1.174 + 9364TIP3 H234402 -4.283 -1.286 1.171 + 9365TIP3 OH234403 -3.738 -1.327 -0.493 + 9365TIP3 H134404 -3.792 -1.406 -0.510 + 9365TIP3 H234405 -3.690 -1.316 -0.578 + 9366TIP3 OH234406 -3.542 -1.331 1.191 + 9366TIP3 H134407 -3.564 -1.294 1.104 + 9366TIP3 H234408 -3.530 -1.426 1.172 + 9367TIP3 OH234409 -3.265 -1.170 -0.585 + 9367TIP3 H134410 -3.254 -1.176 -0.489 + 9367TIP3 H234411 -3.253 -1.265 -0.609 + 9368TIP3 OH234412 -4.136 -1.647 1.187 + 9368TIP3 H134413 -4.055 -1.699 1.173 + 9368TIP3 H234414 -4.121 -1.614 1.276 + 9369TIP3 OH234415 -3.755 -1.724 0.909 + 9369TIP3 H134416 -3.803 -1.642 0.932 + 9369TIP3 H234417 -3.682 -1.689 0.855 + 9370TIP3 OH234418 -3.563 -1.639 -0.461 + 9370TIP3 H134419 -3.582 -1.660 -0.554 + 9370TIP3 H234420 -3.473 -1.674 -0.452 + 9371TIP3 OH234421 -3.214 -1.450 1.276 + 9371TIP3 H134422 -3.129 -1.466 1.234 + 9371TIP3 H234423 -3.240 -1.538 1.306 + 9372TIP3 OH234424 -2.638 -1.443 -0.557 + 9372TIP3 H134425 -2.638 -1.482 -0.646 + 9372TIP3 H234426 -2.599 -1.357 -0.574 + 9373TIP3 OH234427 -3.695 -1.995 1.031 + 9373TIP3 H134428 -3.682 -2.060 0.959 + 9373TIP3 H234429 -3.709 -1.913 0.980 + 9374TIP3 OH234430 -3.657 -2.146 0.776 + 9374TIP3 H134431 -3.602 -2.094 0.713 + 9374TIP3 H234432 -3.747 -2.142 0.736 + 9375TIP3 OH234433 -3.504 -1.604 0.815 + 9375TIP3 H134434 -3.417 -1.612 0.771 + 9375TIP3 H234435 -3.531 -1.515 0.784 + 9376TIP3 OH234436 -3.040 -1.804 1.299 + 9376TIP3 H134437 -3.022 -1.899 1.296 + 9376TIP3 H234438 -2.951 -1.770 1.284 + 9377TIP3 OH234439 -2.918 -1.494 1.107 + 9377TIP3 H134440 -2.937 -1.422 1.045 + 9377TIP3 H234441 -2.827 -1.517 1.083 + 9378TIP3 OH234442 -3.883 -1.803 1.205 + 9378TIP3 H134443 -3.930 -1.888 1.206 + 9378TIP3 H234444 -3.798 -1.827 1.164 + 9379TIP3 OH234445 -3.587 -2.414 0.812 + 9379TIP3 H134446 -3.602 -2.319 0.794 + 9379TIP3 H234447 -3.656 -2.455 0.756 + 9380TIP3 OH234448 -3.459 -1.956 1.190 + 9380TIP3 H134449 -3.494 -1.979 1.278 + 9380TIP3 H234450 -3.538 -1.976 1.135 + 9381TIP3 OH234451 -3.204 -2.050 1.079 + 9381TIP3 H134452 -3.293 -2.050 1.118 + 9381TIP3 H234453 -3.157 -2.115 1.133 + 9382TIP3 OH234454 -3.026 -2.203 1.247 + 9382TIP3 H134455 -3.035 -2.299 1.264 + 9382TIP3 H234456 -3.037 -2.164 1.336 + 9383TIP3 OH234457 -4.019 -2.059 1.191 + 9383TIP3 H134458 -4.014 -2.132 1.128 + 9383TIP3 H234459 -4.032 -2.106 1.276 + 9384TIP3 OH234460 -3.601 -2.464 1.091 + 9384TIP3 H134461 -3.541 -2.541 1.097 + 9384TIP3 H234462 -3.603 -2.450 0.994 + 9385TIP3 OH234463 -3.508 -2.280 1.279 + 9385TIP3 H134464 -3.533 -2.339 1.205 + 9385TIP3 H234465 -3.576 -2.212 1.276 + 9386TIP3 OH234466 -3.601 -0.585 -0.377 + 9386TIP3 H134467 -3.509 -0.568 -0.352 + 9386TIP3 H234468 -3.609 -0.529 -0.455 + 9387TIP3 OH234469 -4.199 -1.094 -0.451 + 9387TIP3 H134470 -4.121 -1.100 -0.393 + 9387TIP3 H234471 -4.211 -1.184 -0.484 + 9388TIP3 OH234472 -4.274 -0.809 0.244 + 9388TIP3 H134473 -4.276 -0.896 0.287 + 9388TIP3 H234474 -4.240 -0.755 0.317 + 9389TIP3 OH234475 -2.549 -1.304 -0.160 + 9389TIP3 H134476 -2.470 -1.257 -0.129 + 9389TIP3 H234477 -2.567 -1.361 -0.084 + 9390TIP3 OH234478 -2.516 -1.523 0.048 + 9390TIP3 H134479 -2.591 -1.572 0.086 + 9390TIP3 H234480 -2.460 -1.507 0.127 + 9391TIP3 OH234481 -2.514 -1.559 -0.306 + 9391TIP3 H134482 -2.559 -1.525 -0.386 + 9391TIP3 H234483 -2.517 -1.480 -0.249 + 9392TIP3 OH234484 -2.709 -1.803 -0.486 + 9392TIP3 H134485 -2.657 -1.752 -0.549 + 9392TIP3 H234486 -2.712 -1.891 -0.526 + 9393TIP3 OH234487 -2.755 -1.696 0.117 + 9393TIP3 H134488 -2.751 -1.793 0.109 + 9393TIP3 H234489 -2.783 -1.684 0.210 + 9394TIP3 OH234490 -4.255 -1.451 0.518 + 9394TIP3 H134491 -4.220 -1.426 0.431 + 9394TIP3 H234492 -4.175 -1.490 0.558 + 9395TIP3 OH234493 -2.578 -1.665 1.145 + 9395TIP3 H134494 -2.616 -1.743 1.103 + 9395TIP3 H234495 -2.483 -1.671 1.121 + 9396TIP3 OH234496 -2.740 -2.078 -0.556 + 9396TIP3 H134497 -2.675 -2.124 -0.498 + 9396TIP3 H234498 -2.817 -2.136 -0.555 + 9397TIP3 OH234499 -2.771 -1.955 -0.052 + 9397TIP3 H134500 -2.738 -2.047 -0.050 + 9397TIP3 H234501 -2.693 -1.909 -0.090 + 9398TIP3 OH234502 -2.713 -1.875 0.478 + 9398TIP3 H134503 -2.618 -1.855 0.466 + 9398TIP3 H234504 -2.720 -1.871 0.575 + 9399TIP3 OH234505 -2.707 -1.789 0.760 + 9399TIP3 H134506 -2.795 -1.755 0.784 + 9399TIP3 H234507 -2.657 -1.708 0.744 + 9400TIP3 OH234508 -4.286 -1.955 1.126 + 9400TIP3 H134509 -4.195 -1.990 1.127 + 9400TIP3 H234510 -4.340 -2.033 1.145 + 9401TIP3 OH234511 -2.466 -2.405 1.293 + 9401TIP3 H134512 -2.423 -2.472 1.236 + 9401TIP3 H234513 -2.461 -2.326 1.235 + 9402TIP3 OH234514 -2.712 -2.229 -0.065 + 9402TIP3 H134515 -2.691 -2.263 0.025 + 9402TIP3 H234516 -2.791 -2.280 -0.088 + 9403TIP3 OH234517 -4.195 -2.099 0.438 + 9403TIP3 H134518 -4.160 -2.190 0.440 + 9403TIP3 H234519 -4.115 -2.047 0.458 + 9404TIP3 OH234520 -4.334 -1.838 0.527 + 9404TIP3 H134521 -4.288 -1.892 0.461 + 9404TIP3 H234522 -4.305 -1.750 0.501 + 9405TIP3 OH234523 -2.527 -2.198 1.121 + 9405TIP3 H134524 -2.614 -2.155 1.117 + 9405TIP3 H234525 -2.531 -2.251 1.039 + 9406TIP3 OH234526 -2.520 -2.173 -0.406 + 9406TIP3 H134527 -2.479 -2.254 -0.440 + 9406TIP3 H234528 -2.442 -2.120 -0.378 + 9407TIP3 OH234529 -4.316 -2.226 -0.118 + 9407TIP3 H134530 -4.398 -2.202 -0.164 + 9407TIP3 H234531 -4.254 -2.160 -0.156 + 9408TIP3 OH234532 -4.291 -2.326 0.715 + 9408TIP3 H134533 -4.359 -2.338 0.786 + 9408TIP3 H234534 -4.339 -2.284 0.642 + 9409TIP3 OH234535 -4.120 -0.975 1.184 + 9409TIP3 H134536 -4.164 -1.039 1.127 + 9409TIP3 H234537 -4.137 -1.012 1.273 + 9410TIP3 OH234538 -3.802 -0.907 0.774 + 9410TIP3 H134539 -3.829 -0.824 0.732 + 9410TIP3 H234540 -3.706 -0.902 0.753 + 9411TIP3 OH234541 -3.361 -0.770 1.080 + 9411TIP3 H134542 -3.331 -0.803 1.166 + 9411TIP3 H234543 -3.276 -0.739 1.041 + 9412TIP3 OH234544 -3.119 -0.674 0.996 + 9412TIP3 H134545 -3.047 -0.730 0.964 + 9412TIP3 H234546 -3.076 -0.623 1.066 + 9413TIP3 OH234547 -2.643 -2.378 0.919 + 9413TIP3 H134548 -2.719 -2.354 0.864 + 9413TIP3 H234549 -2.618 -2.466 0.884 + 9414TIP3 OH234550 -4.073 -0.606 0.799 + 9414TIP3 H134551 -4.139 -0.555 0.748 + 9414TIP3 H234552 -4.106 -0.598 0.888 + 9415TIP3 OH234553 -3.821 -0.637 0.666 + 9415TIP3 H134554 -3.907 -0.612 0.704 + 9415TIP3 H234555 -3.818 -0.588 0.583 + 9416TIP3 OH234556 -3.278 -0.608 0.608 + 9416TIP3 H134557 -3.345 -0.639 0.545 + 9416TIP3 H234558 -3.326 -0.587 0.687 + 9417TIP3 OH234559 -4.119 -0.738 0.490 + 9417TIP3 H134560 -4.127 -0.779 0.578 + 9417TIP3 H234561 -4.037 -0.778 0.457 + 9418TIP3 OH234562 -3.890 -0.851 0.357 + 9418TIP3 H134563 -3.896 -0.944 0.385 + 9418TIP3 H234564 -3.797 -0.829 0.378 + 9419TIP3 OH234565 -3.299 -2.227 0.360 + 9419TIP3 H134566 -3.366 -2.296 0.374 + 9419TIP3 H234567 -3.234 -2.273 0.305 + 9420TIP3 OH234568 -2.802 -2.424 0.408 + 9420TIP3 H134569 -2.724 -2.381 0.369 + 9420TIP3 H234570 -2.874 -2.392 0.352 + 9421TIP3 OH234571 -2.597 -2.315 0.190 + 9421TIP3 H134572 -2.521 -2.359 0.147 + 9421TIP3 H234573 -2.560 -2.225 0.203 + 9422TIP3 OH234574 -4.108 -2.369 0.116 + 9422TIP3 H134575 -4.180 -2.399 0.059 + 9422TIP3 H234576 -4.045 -2.443 0.106 + 9423TIP3 OH234577 -4.182 -2.408 -0.303 + 9423TIP3 H134578 -4.130 -2.342 -0.353 + 9423TIP3 H234579 -4.233 -2.351 -0.243 + 9424TIP3 OH234580 -3.618 -2.372 0.108 + 9424TIP3 H134581 -3.527 -2.341 0.089 + 9424TIP3 H234582 -3.613 -2.383 0.204 + 9425TIP3 OH234583 -3.061 -2.367 0.244 + 9425TIP3 H134584 -3.026 -2.384 0.155 + 9425TIP3 H234585 -3.092 -2.455 0.270 + 9426TIP3 OH234586 -2.946 -2.369 -0.151 + 9426TIP3 H134587 -3.028 -2.320 -0.170 + 9426TIP3 H234588 -2.979 -2.460 -0.141 + 9427TIP3 OH234589 -4.192 -0.807 -0.199 + 9427TIP3 H134590 -4.253 -0.819 -0.272 + 9427TIP3 H234591 -4.179 -0.711 -0.199 + 9428TIP3 OH234592 -4.006 -2.220 -0.449 + 9428TIP3 H134593 -3.948 -2.279 -0.501 + 9428TIP3 H234594 -3.944 -2.191 -0.379 + 9429TIP3 OH234595 -3.501 -2.204 -0.188 + 9429TIP3 H134596 -3.463 -2.264 -0.121 + 9429TIP3 H234597 -3.477 -2.118 -0.149 + 9430TIP3 OH234598 -3.289 -0.632 -0.368 + 9430TIP3 H134599 -3.192 -0.628 -0.371 + 9430TIP3 H234600 -3.307 -0.695 -0.440 + 9431TIP3 OH234601 -2.648 -0.727 -0.063 + 9431TIP3 H134602 -2.648 -0.804 -0.120 + 9431TIP3 H234603 -2.606 -0.658 -0.115 + 9432TIP3 OH234604 -4.080 -2.329 1.069 + 9432TIP3 H134605 -4.124 -2.406 1.109 + 9432TIP3 H234606 -3.988 -2.345 1.096 + 9433TIP3 OH234607 -3.844 -2.392 1.245 + 9433TIP3 H134608 -3.762 -2.427 1.204 + 9433TIP3 H234609 -3.877 -2.472 1.289 + 9434TIP3 OH234610 -4.016 -0.713 -0.500 + 9434TIP3 H134611 -4.040 -0.688 -0.410 + 9434TIP3 H234612 -3.935 -0.765 -0.486 + 9435TIP3 OH234613 -3.030 -2.482 1.263 + 9435TIP3 H134614 -3.025 -2.524 1.350 + 9435TIP3 H234615 -2.937 -2.486 1.234 + 9436TIP3 OH234616 -2.349 -1.776 0.028 + 9436TIP3 H134617 -2.398 -1.692 0.028 + 9436TIP3 H234618 -2.412 -1.836 -0.012 + 9437TIP3 OH234619 -2.306 -1.532 0.233 + 9437TIP3 H134620 -2.294 -1.598 0.303 + 9437TIP3 H234621 -2.224 -1.537 0.183 + 9438TIP3 OH234622 -0.661 -2.148 0.573 + 9438TIP3 H134623 -0.666 -2.080 0.641 + 9438TIP3 H234624 -0.622 -2.100 0.498 + 9439TIP3 OH234625 -1.166 -2.035 0.129 + 9439TIP3 H134626 -1.101 -2.091 0.175 + 9439TIP3 H234627 -1.124 -2.021 0.044 + 9440TIP3 OH234628 -2.288 -1.817 0.341 + 9440TIP3 H134629 -2.214 -1.803 0.401 + 9440TIP3 H234630 -2.252 -1.822 0.252 + 9441TIP3 OH234631 -0.642 -2.007 0.832 + 9441TIP3 H134632 -0.684 -1.924 0.805 + 9441TIP3 H234633 -0.625 -1.989 0.926 + 9442TIP3 OH234634 -2.045 -2.143 0.660 + 9442TIP3 H134635 -2.054 -2.064 0.607 + 9442TIP3 H234636 -2.092 -2.119 0.741 + 9443TIP3 OH234637 -0.924 -2.114 0.311 + 9443TIP3 H134638 -0.995 -2.148 0.367 + 9443TIP3 H234639 -0.890 -2.040 0.364 + 9444TIP3 OH234640 -0.939 -2.192 0.682 + 9444TIP3 H134641 -1.017 -2.155 0.636 + 9444TIP3 H234642 -0.868 -2.175 0.617 + 9445TIP3 OH234643 -1.616 -2.422 0.382 + 9445TIP3 H134644 -1.642 -2.515 0.373 + 9445TIP3 H234645 -1.700 -2.380 0.409 + 9446TIP3 OH234646 -1.870 -2.306 0.481 + 9446TIP3 H134647 -1.953 -2.313 0.432 + 9446TIP3 H234648 -1.888 -2.230 0.539 + 9447TIP3 OH234649 -1.437 -2.377 0.851 + 9447TIP3 H134650 -1.392 -2.424 0.923 + 9447TIP3 H234651 -1.531 -2.394 0.865 + 9448TIP3 OH234652 -1.250 -1.802 0.258 + 9448TIP3 H134653 -1.282 -1.766 0.175 + 9448TIP3 H234654 -1.252 -1.898 0.240 + 9449TIP3 OH234655 -2.451 -2.082 0.166 + 9449TIP3 H134656 -2.396 -2.057 0.242 + 9449TIP3 H234657 -2.385 -2.109 0.101 + 9450TIP3 OH234658 -2.329 -1.982 -0.278 + 9450TIP3 H134659 -2.263 -1.922 -0.315 + 9450TIP3 H234660 -2.392 -1.920 -0.237 + 9451TIP3 OH234661 -1.161 -2.145 0.494 + 9451TIP3 H134662 -1.218 -2.128 0.571 + 9451TIP3 H234663 -1.230 -2.158 0.426 + 9452TIP3 OH234664 -1.209 -1.068 0.948 + 9452TIP3 H134665 -1.273 -1.031 0.885 + 9452TIP3 H234666 -1.235 -1.034 1.033 + 9453TIP3 OH234667 -1.115 -1.480 0.499 + 9453TIP3 H134668 -1.184 -1.541 0.526 + 9453TIP3 H234669 -1.044 -1.538 0.468 + 9454TIP3 OH234670 -2.237 -1.573 -0.432 + 9454TIP3 H134671 -2.178 -1.516 -0.380 + 9454TIP3 H234672 -2.321 -1.560 -0.385 + 9455TIP3 OH234673 -1.225 -1.274 0.683 + 9455TIP3 H134674 -1.306 -1.301 0.725 + 9455TIP3 H234675 -1.179 -1.354 0.658 + 9456TIP3 OH234676 -2.216 -2.077 0.918 + 9456TIP3 H134677 -2.277 -2.033 0.857 + 9456TIP3 H234678 -2.238 -2.171 0.911 + 9457TIP3 OH234679 -2.109 -1.356 -0.269 + 9457TIP3 H134680 -2.160 -1.316 -0.198 + 9457TIP3 H234681 -2.039 -1.290 -0.282 + 9458TIP3 OH234682 -1.289 -2.152 0.758 + 9458TIP3 H134683 -1.280 -2.108 0.844 + 9458TIP3 H234684 -1.354 -2.221 0.781 + 9459TIP3 OH234685 -0.895 -2.071 0.972 + 9459TIP3 H134686 -0.984 -2.047 0.947 + 9459TIP3 H234687 -0.851 -2.076 0.885 + 9460TIP3 OH234688 -1.004 -1.697 0.324 + 9460TIP3 H134689 -1.091 -1.743 0.322 + 9460TIP3 H234690 -0.947 -1.758 0.371 + 9461TIP3 OH234691 -2.143 -2.352 0.398 + 9461TIP3 H134692 -2.160 -2.351 0.300 + 9461TIP3 H234693 -2.179 -2.438 0.423 + 9462TIP3 OH234694 -1.891 -1.331 -0.544 + 9462TIP3 H134695 -1.872 -1.380 -0.464 + 9462TIP3 H234696 -1.803 -1.302 -0.572 + 9463TIP3 OH234697 -1.033 -1.342 0.936 + 9463TIP3 H134698 -0.982 -1.270 0.897 + 9463TIP3 H234699 -1.122 -1.308 0.919 + 9464TIP3 OH234700 -2.296 -1.609 1.173 + 9464TIP3 H134701 -2.228 -1.647 1.115 + 9464TIP3 H234702 -2.252 -1.592 1.257 + 9465TIP3 OH234703 -1.756 -2.132 0.759 + 9465TIP3 H134704 -1.707 -2.057 0.722 + 9465TIP3 H234705 -1.846 -2.098 0.760 + 9466TIP3 OH234706 -1.718 -2.395 0.820 + 9466TIP3 H134707 -1.720 -2.299 0.797 + 9466TIP3 H234708 -1.779 -2.430 0.753 + 9467TIP3 OH234709 -1.562 -1.987 1.167 + 9467TIP3 H134710 -1.594 -1.958 1.253 + 9467TIP3 H234711 -1.633 -1.955 1.109 + 9468TIP3 OH234712 -1.305 -2.055 1.046 + 9468TIP3 H134713 -1.389 -2.026 1.088 + 9468TIP3 H234714 -1.255 -2.090 1.121 + 9469TIP3 OH234715 -1.121 -2.196 1.253 + 9469TIP3 H134716 -1.147 -2.288 1.270 + 9469TIP3 H234717 -1.146 -2.149 1.334 + 9470TIP3 OH234718 -2.067 -2.083 1.199 + 9470TIP3 H134719 -2.104 -2.085 1.109 + 9470TIP3 H234720 -2.145 -2.066 1.253 + 9471TIP3 OH234721 -1.710 -2.469 1.094 + 9471TIP3 H134722 -1.646 -2.541 1.081 + 9471TIP3 H234723 -1.724 -2.441 1.001 + 9472TIP3 OH234724 -1.633 -2.315 1.322 + 9472TIP3 H134725 -1.648 -2.349 1.231 + 9472TIP3 H234726 -1.682 -2.231 1.315 + 9473TIP3 OH234727 -0.664 -1.683 1.147 + 9473TIP3 H134728 -0.735 -1.736 1.112 + 9473TIP3 H234729 -0.586 -1.727 1.111 + 9474TIP3 OH234730 -0.817 -1.885 0.488 + 9474TIP3 H134731 -0.736 -1.834 0.474 + 9474TIP3 H234732 -0.843 -1.856 0.577 + 9475TIP3 OH234733 -0.839 -1.779 0.762 + 9475TIP3 H134734 -0.926 -1.746 0.788 + 9475TIP3 H234735 -0.793 -1.695 0.745 + 9476TIP3 OH234736 -2.379 -1.947 1.169 + 9476TIP3 H134737 -2.308 -1.940 1.103 + 9476TIP3 H234738 -2.425 -2.029 1.142 + 9477TIP3 OH234739 -0.580 -2.400 1.289 + 9477TIP3 H134740 -0.541 -2.466 1.229 + 9477TIP3 H234741 -0.584 -2.321 1.232 + 9478TIP3 OH234742 -2.298 -2.111 0.430 + 9478TIP3 H134743 -2.239 -2.188 0.431 + 9478TIP3 H234744 -2.239 -2.037 0.449 + 9479TIP3 OH234745 -0.661 -2.197 1.120 + 9479TIP3 H134746 -0.744 -2.145 1.119 + 9479TIP3 H234747 -0.673 -2.246 1.036 + 9480TIP3 OH234748 -2.397 -2.228 -0.102 + 9480TIP3 H134749 -2.489 -2.200 -0.107 + 9480TIP3 H234750 -2.348 -2.155 -0.143 + 9481TIP3 OH234751 -2.399 -2.326 0.737 + 9481TIP3 H134752 -2.471 -2.343 0.799 + 9481TIP3 H234753 -2.441 -2.269 0.671 + 9482TIP3 OH234754 -0.759 -2.370 0.918 + 9482TIP3 H134755 -0.836 -2.342 0.865 + 9482TIP3 H234756 -0.739 -2.457 0.880 + 9483TIP3 OH234757 -1.403 -2.227 0.347 + 9483TIP3 H134758 -1.482 -2.283 0.347 + 9483TIP3 H234759 -1.356 -2.255 0.268 + 9484TIP3 OH234760 -0.905 -2.430 0.388 + 9484TIP3 H134761 -0.838 -2.376 0.342 + 9484TIP3 H234762 -0.988 -2.394 0.350 + 9485TIP3 OH234763 -0.708 -2.318 0.192 + 9485TIP3 H134764 -0.648 -2.350 0.123 + 9485TIP3 H234765 -0.704 -2.222 0.186 + 9486TIP3 OH234766 -2.177 -2.347 0.129 + 9486TIP3 H134767 -2.247 -2.348 0.062 + 9486TIP3 H234768 -2.111 -2.406 0.090 + 9487TIP3 OH234769 -1.144 -2.388 0.242 + 9487TIP3 H134770 -1.160 -2.375 0.146 + 9487TIP3 H234771 -1.215 -2.450 0.265 + 9488TIP3 OH234772 -2.207 -2.337 1.063 + 9488TIP3 H134773 -2.231 -2.417 1.111 + 9488TIP3 H234774 -2.118 -2.317 1.096 + 9489TIP3 OH234775 -1.951 -2.395 1.257 + 9489TIP3 H134776 -1.876 -2.426 1.202 + 9489TIP3 H234777 -2.002 -2.476 1.272 + 9490TIP3 OH234778 -1.144 -2.478 1.263 + 9490TIP3 H134779 -1.140 -2.517 1.352 + 9490TIP3 H234780 -1.050 -2.477 1.236 + 9491TIP3 OH234781 1.215 -2.110 0.589 + 9491TIP3 H134782 1.211 -2.030 0.644 + 9491TIP3 H234783 1.274 -2.082 0.516 + 9492TIP3 OH234784 0.755 -2.079 0.062 + 9492TIP3 H134785 0.798 -2.082 0.148 + 9492TIP3 H234786 0.785 -1.993 0.028 + 9493TIP3 OH234787 -0.408 -1.803 0.337 + 9493TIP3 H134788 -0.329 -1.812 0.389 + 9493TIP3 H234789 -0.379 -1.806 0.246 + 9494TIP3 OH234790 0.137 -1.661 0.320 + 9494TIP3 H134791 0.233 -1.664 0.336 + 9494TIP3 H234792 0.129 -1.683 0.227 + 9495TIP3 OH234793 -0.112 -2.164 0.682 + 9495TIP3 H134794 -0.143 -2.095 0.622 + 9495TIP3 H234795 -0.175 -2.155 0.756 + 9496TIP3 OH234796 0.947 -2.127 0.319 + 9496TIP3 H134797 0.899 -2.161 0.395 + 9496TIP3 H234798 0.981 -2.042 0.353 + 9497TIP3 OH234799 -0.136 -1.956 0.473 + 9497TIP3 H134800 -0.089 -1.875 0.498 + 9497TIP3 H234801 -0.093 -1.980 0.391 + 9498TIP3 OH234802 0.964 -2.219 0.668 + 9498TIP3 H134803 0.896 -2.158 0.700 + 9498TIP3 H234804 1.033 -2.158 0.634 + 9499TIP3 OH234805 0.272 -2.428 0.385 + 9499TIP3 H134806 0.242 -2.520 0.387 + 9499TIP3 H234807 0.192 -2.379 0.411 + 9500TIP3 OH234808 0.539 -1.786 -0.387 + 9500TIP3 H134809 0.555 -1.696 -0.357 + 9500TIP3 H234810 0.515 -1.773 -0.479 + 9501TIP3 OH234811 0.113 -1.136 1.013 + 9501TIP3 H134812 0.092 -1.045 1.036 + 9501TIP3 H234813 0.079 -1.141 0.924 + 9502TIP3 OH234814 1.052 -2.415 -0.318 + 9502TIP3 H134815 0.971 -2.386 -0.277 + 9502TIP3 H234816 1.098 -2.330 -0.331 + 9503TIP3 OH234817 -0.105 -1.564 -0.026 + 9503TIP3 H134818 -0.105 -1.475 -0.063 + 9503TIP3 H234819 -0.189 -1.600 -0.057 + 9504TIP3 OH234820 0.017 -2.281 0.447 + 9504TIP3 H134821 -0.075 -2.312 0.436 + 9504TIP3 H234822 0.010 -2.231 0.530 + 9505TIP3 OH234823 0.447 -2.116 -0.430 + 9505TIP3 H134824 0.386 -2.092 -0.359 + 9505TIP3 H234825 0.392 -2.170 -0.489 + 9506TIP3 OH234826 0.004 -1.873 0.110 + 9506TIP3 H134827 -0.086 -1.837 0.106 + 9506TIP3 H234828 0.039 -1.840 0.025 + 9507TIP3 OH234829 0.544 -1.761 -0.010 + 9507TIP3 H134830 0.518 -1.668 -0.016 + 9507TIP3 H234831 0.627 -1.764 -0.062 + 9508TIP3 OH234832 0.699 -1.821 0.243 + 9508TIP3 H134833 0.637 -1.760 0.201 + 9508TIP3 H234834 0.658 -1.906 0.228 + 9509TIP3 OH234835 0.086 -2.059 -0.516 + 9509TIP3 H134836 0.027 -2.118 -0.470 + 9509TIP3 H234837 0.022 -2.000 -0.561 + 9510TIP3 OH234838 -0.556 -2.042 0.158 + 9510TIP3 H134839 -0.516 -2.053 0.246 + 9510TIP3 H234840 -0.519 -2.114 0.106 + 9511TIP3 OH234841 -0.450 -2.033 -0.276 + 9511TIP3 H134842 -0.397 -1.995 -0.348 + 9511TIP3 H234843 -0.507 -1.959 -0.253 + 9512TIP3 OH234844 0.194 -2.093 0.223 + 9512TIP3 H134845 0.166 -2.021 0.281 + 9512TIP3 H234846 0.285 -2.107 0.256 + 9513TIP3 OH234847 -0.272 -1.945 0.069 + 9513TIP3 H134848 -0.360 -1.906 0.054 + 9513TIP3 H234849 -0.274 -2.016 0.005 + 9514TIP3 OH234850 0.097 -1.885 -0.177 + 9514TIP3 H134851 0.191 -1.882 -0.155 + 9514TIP3 H234852 0.091 -1.816 -0.246 + 9515TIP3 OH234853 0.706 -2.065 -0.356 + 9515TIP3 H134854 0.611 -2.060 -0.380 + 9515TIP3 H234855 0.718 -1.979 -0.313 + 9516TIP3 OH234856 0.780 -1.809 -0.200 + 9516TIP3 H134857 0.865 -1.840 -0.163 + 9516TIP3 H234858 0.807 -1.759 -0.278 + 9517TIP3 OH234859 1.213 -1.819 -0.248 + 9517TIP3 H134860 1.220 -1.872 -0.329 + 9517TIP3 H234861 1.276 -1.747 -0.264 + 9518TIP3 OH234862 -0.342 -2.127 0.874 + 9518TIP3 H134863 -0.422 -2.072 0.877 + 9518TIP3 H234864 -0.363 -2.199 0.935 + 9519TIP3 OH234865 0.356 -0.975 -0.319 + 9519TIP3 H134866 0.396 -1.007 -0.238 + 9519TIP3 H234867 0.410 -0.900 -0.345 + 9520TIP3 OH234868 0.365 -1.970 -0.042 + 9520TIP3 H134869 0.439 -1.905 -0.039 + 9520TIP3 H234870 0.343 -1.976 0.051 + 9521TIP3 OH234871 -0.015 -2.170 -0.219 + 9521TIP3 H134872 0.003 -2.075 -0.233 + 9521TIP3 H234873 0.061 -2.214 -0.257 + 9522TIP3 OH234874 -0.248 -2.361 0.391 + 9522TIP3 H134875 -0.284 -2.359 0.301 + 9522TIP3 H234876 -0.292 -2.439 0.430 + 9523TIP3 OH234877 0.201 -2.365 0.815 + 9523TIP3 H134878 0.183 -2.272 0.795 + 9523TIP3 H234879 0.134 -2.412 0.762 + 9524TIP3 OH234880 0.682 -2.210 1.282 + 9524TIP3 H134881 0.733 -2.272 1.227 + 9524TIP3 H234882 0.727 -2.126 1.265 + 9525TIP3 OH234883 -0.223 -2.049 1.176 + 9525TIP3 H134884 -0.240 -2.125 1.118 + 9525TIP3 H234885 -0.248 -2.082 1.263 + 9526TIP3 OH234886 0.182 -2.457 1.088 + 9526TIP3 H134887 0.237 -2.536 1.083 + 9526TIP3 H234888 0.185 -2.428 0.994 + 9527TIP3 OH234889 0.287 -2.290 1.307 + 9527TIP3 H134890 0.267 -2.345 1.229 + 9527TIP3 H234891 0.214 -2.227 1.301 + 9528TIP3 OH234892 1.004 -1.915 -0.061 + 9528TIP3 H134893 1.031 -2.005 -0.038 + 9528TIP3 H234894 1.089 -1.875 -0.088 + 9529TIP3 OH234895 1.035 -1.876 0.477 + 9529TIP3 H134896 1.128 -1.857 0.492 + 9529TIP3 H234897 0.995 -1.868 0.566 + 9530TIP3 OH234898 -0.504 -1.949 1.106 + 9530TIP3 H134899 -0.412 -1.957 1.137 + 9530TIP3 H234900 -0.547 -2.027 1.144 + 9531TIP3 OH234901 1.302 -2.390 1.284 + 9531TIP3 H134902 1.344 -2.459 1.230 + 9531TIP3 H234903 1.301 -2.314 1.222 + 9532TIP3 OH234904 1.041 -2.237 -0.070 + 9532TIP3 H134905 1.062 -2.243 0.024 + 9532TIP3 H234906 0.957 -2.283 -0.076 + 9533TIP3 OH234907 -0.403 -2.104 0.410 + 9533TIP3 H134908 -0.361 -2.186 0.439 + 9533TIP3 H234909 -0.347 -2.036 0.448 + 9534TIP3 OH234910 1.228 -2.194 1.105 + 9534TIP3 H134911 1.143 -2.150 1.121 + 9534TIP3 H234912 1.209 -2.244 1.024 + 9535TIP3 OH234913 1.244 -2.207 -0.371 + 9535TIP3 H134914 1.264 -2.255 -0.453 + 9535TIP3 H234915 1.298 -2.127 -0.381 + 9536TIP3 OH234916 -0.496 -2.210 -0.066 + 9536TIP3 H134917 -0.591 -2.224 -0.080 + 9536TIP3 H234918 -0.471 -2.158 -0.145 + 9537TIP3 OH234919 -0.526 -2.347 0.719 + 9537TIP3 H134920 -0.587 -2.343 0.794 + 9537TIP3 H234921 -0.564 -2.277 0.662 + 9538TIP3 OH234922 1.115 -2.371 0.918 + 9538TIP3 H134923 1.047 -2.336 0.857 + 9538TIP3 H234924 1.138 -2.455 0.875 + 9539TIP3 OH234925 0.463 -2.226 0.292 + 9539TIP3 H134926 0.411 -2.289 0.345 + 9539TIP3 H234927 0.552 -2.264 0.296 + 9540TIP3 OH234928 1.005 -2.474 0.393 + 9540TIP3 H134929 1.057 -2.396 0.365 + 9540TIP3 H234930 0.915 -2.436 0.384 + 9541TIP3 OH234931 1.172 -2.320 0.193 + 9541TIP3 H134932 1.248 -2.345 0.138 + 9541TIP3 H234933 1.192 -2.226 0.209 + 9542TIP3 OH234934 -0.266 -2.342 0.105 + 9542TIP3 H134935 -0.349 -2.332 0.054 + 9542TIP3 H234936 -0.248 -2.437 0.091 + 9543TIP3 OH234937 -0.407 -2.407 -0.292 + 9543TIP3 H134938 -0.379 -2.348 -0.363 + 9543TIP3 H234939 -0.474 -2.356 -0.247 + 9544TIP3 OH234940 0.720 -2.376 0.265 + 9544TIP3 H134941 0.756 -2.383 0.176 + 9544TIP3 H234942 0.677 -2.462 0.280 + 9545TIP3 OH234943 -0.221 -2.204 -0.457 + 9545TIP3 H134944 -0.177 -2.280 -0.501 + 9545TIP3 H234945 -0.177 -2.202 -0.370 + 9546TIP3 OH234946 0.330 -2.228 -0.167 + 9546TIP3 H134947 0.288 -2.259 -0.086 + 9546TIP3 H234948 0.310 -2.133 -0.161 + 9547TIP3 OH234949 -0.316 -2.329 1.079 + 9547TIP3 H134950 -0.349 -2.414 1.114 + 9547TIP3 H234951 -0.222 -2.334 1.102 + 9548TIP3 OH234952 -0.061 -2.393 1.251 + 9548TIP3 H134953 0.014 -2.429 1.201 + 9548TIP3 H234954 -0.106 -2.473 1.283 + 9549TIP3 OH234955 0.738 -2.487 1.262 + 9549TIP3 H134956 0.751 -2.522 1.352 + 9549TIP3 H234957 0.828 -2.489 1.227 + 9550TIP3 OH234958 2.500 -1.500 0.162 + 9550TIP3 H134959 2.503 -1.403 0.158 + 9550TIP3 H234960 2.425 -1.517 0.105 + 9551TIP3 OH234961 2.376 -1.517 0.462 + 9551TIP3 H134962 2.367 -1.578 0.536 + 9551TIP3 H234963 2.343 -1.569 0.387 + 9552TIP3 OH234964 2.767 -1.264 0.308 + 9552TIP3 H134965 2.709 -1.322 0.360 + 9552TIP3 H234966 2.739 -1.176 0.335 + 9553TIP3 OH234967 3.101 -2.137 0.574 + 9553TIP3 H134968 3.120 -2.070 0.641 + 9553TIP3 H234969 3.157 -2.107 0.500 + 9554TIP3 OH234970 2.562 -1.849 0.561 + 9554TIP3 H134971 2.567 -1.946 0.565 + 9554TIP3 H234972 2.545 -1.834 0.467 + 9555TIP3 OH234973 2.642 -2.033 0.100 + 9555TIP3 H134974 2.702 -2.076 0.164 + 9555TIP3 H234975 2.705 -1.986 0.043 + 9556TIP3 OH234976 3.176 -1.987 0.824 + 9556TIP3 H134977 3.112 -1.921 0.792 + 9556TIP3 H234978 3.137 -2.008 0.910 + 9557TIP3 OH234979 1.734 -2.157 0.677 + 9557TIP3 H134980 1.705 -2.108 0.598 + 9557TIP3 H234981 1.663 -2.136 0.740 + 9558TIP3 OH234982 2.509 -1.257 0.025 + 9558TIP3 H134983 2.482 -1.259 -0.068 + 9558TIP3 H234984 2.513 -1.163 0.044 + 9559TIP3 OH234985 2.833 -2.115 0.302 + 9559TIP3 H134986 2.781 -2.169 0.363 + 9559TIP3 H234987 2.872 -2.049 0.362 + 9560TIP3 OH234988 1.704 -1.994 0.452 + 9560TIP3 H134989 1.735 -1.908 0.483 + 9560TIP3 H234990 1.746 -1.995 0.363 + 9561TIP3 OH234991 2.839 -2.190 0.688 + 9561TIP3 H134992 2.760 -2.157 0.642 + 9561TIP3 H234993 2.908 -2.178 0.620 + 9562TIP3 OH234994 2.154 -2.424 0.402 + 9562TIP3 H134995 2.127 -2.516 0.384 + 9562TIP3 H234996 2.069 -2.382 0.427 + 9563TIP3 OH234997 2.954 -1.216 0.900 + 9563TIP3 H134998 2.921 -1.276 0.831 + 9563TIP3 H234999 2.916 -1.131 0.874 + 9564TIP3 OH235000 2.336 -1.471 -0.145 + 9564TIP3 H135001 2.263 -1.471 -0.208 + 9564TIP3 H235002 2.410 -1.504 -0.197 + 9565TIP3 OH235003 2.358 -1.706 -0.410 + 9565TIP3 H135004 2.441 -1.675 -0.372 + 9565TIP3 H235005 2.387 -1.755 -0.487 + 9566TIP3 OH235006 3.144 -1.585 0.733 + 9566TIP3 H135007 3.059 -1.537 0.735 + 9566TIP3 H235008 3.172 -1.571 0.641 + 9567TIP3 OH235009 2.718 -1.519 -0.041 + 9567TIP3 H135010 2.658 -1.478 0.023 + 9567TIP3 H235011 2.774 -1.572 0.018 + 9568TIP3 OH235012 2.694 -1.671 0.856 + 9568TIP3 H135013 2.688 -1.596 0.917 + 9568TIP3 H235014 2.626 -1.643 0.791 + 9569TIP3 OH235015 2.593 -1.583 -0.279 + 9569TIP3 H135016 2.642 -1.553 -0.199 + 9569TIP3 H235017 2.642 -1.534 -0.349 + 9570TIP3 OH235018 2.954 -2.412 -0.323 + 9570TIP3 H135019 2.863 -2.403 -0.288 + 9570TIP3 H235020 2.985 -2.320 -0.321 + 9571TIP3 OH235021 3.073 -0.943 -0.418 + 9571TIP3 H135022 3.119 -0.861 -0.439 + 9571TIP3 H235023 3.148 -1.006 -0.411 + 9572TIP3 OH235024 3.186 -0.942 1.073 + 9572TIP3 H135025 3.177 -1.032 1.038 + 9572TIP3 H235026 3.094 -0.909 1.051 + 9573TIP3 OH235027 2.910 -1.811 1.093 + 9573TIP3 H135028 2.845 -1.774 1.031 + 9573TIP3 H235029 2.904 -1.906 1.069 + 9574TIP3 OH235030 1.906 -2.303 0.480 + 9574TIP3 H135031 1.826 -2.313 0.425 + 9574TIP3 H235032 1.879 -2.228 0.535 + 9575TIP3 OH235033 2.346 -2.349 0.848 + 9575TIP3 H135034 2.398 -2.404 0.910 + 9575TIP3 H235035 2.255 -2.383 0.858 + 9576TIP3 OH235036 2.671 -1.967 0.909 + 9576TIP3 H135037 2.600 -1.985 0.973 + 9576TIP3 H235038 2.652 -1.876 0.879 + 9577TIP3 OH235039 2.764 -1.470 -0.472 + 9577TIP3 H135040 2.742 -1.492 -0.564 + 9577TIP3 H235041 2.860 -1.453 -0.480 + 9578TIP3 OH235042 2.332 -2.102 -0.425 + 9578TIP3 H135043 2.278 -2.110 -0.344 + 9578TIP3 H235044 2.286 -2.167 -0.482 + 9579TIP3 OH235045 1.896 -1.862 0.657 + 9579TIP3 H135046 1.812 -1.847 0.705 + 9579TIP3 H235047 1.889 -1.800 0.584 + 9580TIP3 OH235048 2.444 -1.752 -0.015 + 9580TIP3 H135049 2.394 -1.681 -0.056 + 9580TIP3 H235050 2.510 -1.773 -0.083 + 9581TIP3 OH235051 2.369 -1.734 1.138 + 9581TIP3 H135052 2.316 -1.811 1.167 + 9581TIP3 H235053 2.458 -1.755 1.174 + 9582TIP3 OH235054 2.532 -1.822 0.268 + 9582TIP3 H135055 2.503 -1.761 0.198 + 9582TIP3 H235056 2.548 -1.903 0.215 + 9583TIP3 OH235057 1.654 -1.802 0.796 + 9583TIP3 H135058 1.640 -1.752 0.877 + 9583TIP3 H235059 1.597 -1.879 0.809 + 9584TIP3 OH235060 1.974 -2.070 -0.527 + 9584TIP3 H135061 1.940 -2.091 -0.437 + 9584TIP3 H235062 1.900 -2.019 -0.563 + 9585TIP3 OH235063 1.314 -2.072 0.171 + 9585TIP3 H135064 1.376 -2.072 0.246 + 9585TIP3 H235065 1.371 -2.093 0.096 + 9586TIP3 OH235066 1.451 -1.996 -0.309 + 9586TIP3 H135067 1.518 -1.935 -0.344 + 9586TIP3 H235068 1.420 -1.946 -0.233 + 9587TIP3 OH235069 2.437 -1.652 0.723 + 9587TIP3 H135070 2.477 -1.723 0.668 + 9587TIP3 H235071 2.384 -1.703 0.786 + 9588TIP3 OH235072 2.137 -2.076 0.215 + 9588TIP3 H135073 2.044 -2.045 0.215 + 9588TIP3 H235074 2.160 -2.069 0.308 + 9589TIP3 OH235075 2.011 -1.925 -0.185 + 9589TIP3 H135076 2.074 -1.901 -0.116 + 9589TIP3 H235077 1.965 -1.843 -0.203 + 9590TIP3 OH235078 2.605 -2.152 0.518 + 9590TIP3 H135079 2.539 -2.147 0.590 + 9590TIP3 H235080 2.547 -2.184 0.446 + 9591TIP3 OH235081 1.684 -1.352 1.166 + 9591TIP3 H135082 1.737 -1.277 1.196 + 9591TIP3 H235083 1.596 -1.313 1.167 + 9592TIP3 OH235084 2.257 -1.788 0.389 + 9592TIP3 H135085 2.322 -1.834 0.334 + 9592TIP3 H235086 2.237 -1.854 0.458 + 9593TIP3 OH235087 2.171 -1.954 0.613 + 9593TIP3 H135088 2.084 -1.912 0.622 + 9593TIP3 H235089 2.216 -1.928 0.696 + 9594TIP3 OH235090 2.918 -1.404 0.672 + 9594TIP3 H135091 2.951 -1.359 0.594 + 9594TIP3 H235092 2.824 -1.415 0.646 + 9595TIP3 OH235093 2.597 -2.037 -0.415 + 9595TIP3 H135094 2.498 -2.045 -0.416 + 9595TIP3 H235095 2.611 -1.966 -0.349 + 9596TIP3 OH235096 2.662 -1.857 -0.204 + 9596TIP3 H135097 2.751 -1.870 -0.168 + 9596TIP3 H235098 2.668 -1.770 -0.247 + 9597TIP3 OH235099 2.104 -1.593 1.130 + 9597TIP3 H135100 2.064 -1.615 1.044 + 9597TIP3 H235101 2.198 -1.587 1.109 + 9598TIP3 OH235102 3.123 -1.855 -0.234 + 9598TIP3 H135103 3.067 -1.873 -0.313 + 9598TIP3 H235104 3.134 -1.759 -0.245 + 9599TIP3 OH235105 3.175 -1.254 1.049 + 9599TIP3 H135106 3.082 -1.228 1.034 + 9599TIP3 H235107 3.203 -1.265 0.957 + 9600TIP3 OH235108 2.669 -1.462 0.517 + 9600TIP3 H135109 2.572 -1.469 0.506 + 9600TIP3 H235110 2.700 -1.536 0.463 + 9601TIP3 OH235111 1.535 -2.074 0.880 + 9601TIP3 H135112 1.443 -2.060 0.857 + 9601TIP3 H235113 1.533 -2.164 0.916 + 9602TIP3 OH235114 2.446 -2.103 0.740 + 9602TIP3 H135115 2.506 -2.084 0.813 + 9602TIP3 H235116 2.394 -2.178 0.774 + 9603TIP3 OH235117 2.521 -2.171 -0.139 + 9603TIP3 H135118 2.521 -2.112 -0.216 + 9603TIP3 H235119 2.550 -2.111 -0.068 + 9604TIP3 OH235120 2.266 -1.973 -0.031 + 9604TIP3 H135121 2.328 -1.900 -0.014 + 9604TIP3 H235122 2.214 -1.977 0.052 + 9605TIP3 OH235123 2.287 -1.850 0.876 + 9605TIP3 H135124 2.297 -1.809 0.963 + 9605TIP3 H235125 2.331 -1.935 0.889 + 9606TIP3 OH235126 2.316 -2.262 0.063 + 9606TIP3 H135127 2.280 -2.187 0.114 + 9606TIP3 H235128 2.376 -2.217 0.001 + 9607TIP3 OH235129 1.867 -2.159 -0.280 + 9607TIP3 H135130 1.861 -2.087 -0.214 + 9607TIP3 H235131 1.944 -2.207 -0.246 + 9608TIP3 OH235132 2.921 -2.072 0.958 + 9608TIP3 H135133 2.825 -2.054 0.951 + 9608TIP3 H235134 2.935 -2.100 0.866 + 9609TIP3 OH235135 2.769 -1.689 0.358 + 9609TIP3 H135136 2.682 -1.727 0.334 + 9609TIP3 H235137 2.810 -1.763 0.407 + 9610TIP3 OH235138 1.636 -2.366 0.397 + 9610TIP3 H135139 1.619 -2.355 0.300 + 9610TIP3 H235140 1.577 -2.440 0.420 + 9611TIP3 OH235141 2.768 -0.891 -0.531 + 9611TIP3 H135142 2.813 -0.954 -0.475 + 9611TIP3 H235143 2.839 -0.858 -0.589 + 9612TIP3 OH235144 2.645 -1.346 0.936 + 9612TIP3 H135145 2.709 -1.293 0.886 + 9612TIP3 H235146 2.567 -1.288 0.932 + 9613TIP3 OH235147 1.505 -1.648 1.171 + 9613TIP3 H135148 1.595 -1.683 1.166 + 9613TIP3 H235149 1.515 -1.579 1.238 + 9614TIP3 OH235150 1.931 -1.692 0.924 + 9614TIP3 H135151 1.861 -1.632 0.952 + 9614TIP3 H235152 1.949 -1.664 0.833 + 9615TIP3 OH235153 2.469 -1.483 1.324 + 9615TIP3 H135154 2.509 -1.439 1.248 + 9615TIP3 H235155 2.398 -1.533 1.283 + 9616TIP3 OH235156 3.032 -1.442 -0.551 + 9616TIP3 H135157 3.021 -1.485 -0.637 + 9616TIP3 H235158 3.022 -1.347 -0.576 + 9617TIP3 OH235159 1.969 -1.988 1.026 + 9617TIP3 H135160 1.970 -2.056 0.956 + 9617TIP3 H235161 1.949 -1.908 0.975 + 9618TIP3 OH235162 1.999 -2.148 0.771 + 9618TIP3 H135163 2.050 -2.094 0.708 + 9618TIP3 H235164 1.908 -2.139 0.737 + 9619TIP3 OH235165 2.613 -1.812 1.285 + 9619TIP3 H135166 2.637 -1.904 1.305 + 9619TIP3 H235167 2.698 -1.767 1.289 + 9620TIP3 OH235168 2.712 -1.524 1.131 + 9620TIP3 H135169 2.671 -1.457 1.071 + 9620TIP3 H235170 2.799 -1.534 1.089 + 9621TIP3 OH235171 1.782 -1.804 1.208 + 9621TIP3 H135172 1.725 -1.883 1.207 + 9621TIP3 H235173 1.862 -1.836 1.163 + 9622TIP3 OH235174 2.071 -2.414 0.811 + 9622TIP3 H135175 2.055 -2.319 0.792 + 9622TIP3 H235176 2.003 -2.455 0.754 + 9623TIP3 OH235177 2.200 -1.960 1.186 + 9623TIP3 H135178 2.161 -1.975 1.274 + 9623TIP3 H235179 2.119 -1.974 1.131 + 9624TIP3 OH235180 2.453 -2.050 1.073 + 9624TIP3 H135181 2.364 -2.042 1.113 + 9624TIP3 H235182 2.496 -2.113 1.133 + 9625TIP3 OH235183 2.646 -2.204 1.252 + 9625TIP3 H135184 2.621 -2.298 1.264 + 9625TIP3 H235185 2.617 -2.163 1.335 + 9626TIP3 OH235186 1.661 -2.063 1.194 + 9626TIP3 H135187 1.633 -2.126 1.125 + 9626TIP3 H235188 1.618 -2.101 1.273 + 9627TIP3 OH235189 2.056 -2.465 1.091 + 9627TIP3 H135190 2.116 -2.541 1.094 + 9627TIP3 H235191 2.051 -2.449 0.995 + 9628TIP3 OH235192 2.150 -2.280 1.279 + 9628TIP3 H135193 2.120 -2.337 1.205 + 9628TIP3 H235194 2.083 -2.210 1.278 + 9629TIP3 OH235195 2.940 -1.202 1.279 + 9629TIP3 H135196 2.845 -1.192 1.299 + 9629TIP3 H235197 2.974 -1.115 1.304 + 9630TIP3 OH235198 3.132 -1.518 0.014 + 9630TIP3 H135199 3.052 -1.560 0.052 + 9630TIP3 H235200 3.184 -1.495 0.093 + 9631TIP3 OH235201 3.148 -1.548 -0.304 + 9631TIP3 H135202 3.090 -1.520 -0.377 + 9631TIP3 H235203 3.126 -1.485 -0.235 + 9632TIP3 OH235204 2.977 -1.814 -0.475 + 9632TIP3 H135205 2.993 -1.754 -0.549 + 9632TIP3 H235206 2.946 -1.895 -0.521 + 9633TIP3 OH235207 2.915 -1.686 0.116 + 9633TIP3 H135208 2.903 -1.780 0.096 + 9633TIP3 H235209 2.870 -1.677 0.203 + 9634TIP3 OH235210 2.974 -1.503 1.030 + 9634TIP3 H135211 3.051 -1.560 1.042 + 9634TIP3 H235212 3.012 -1.416 1.016 + 9635TIP3 OH235213 3.158 -1.691 1.138 + 9635TIP3 H135214 3.068 -1.728 1.128 + 9635TIP3 H235215 3.208 -1.774 1.146 + 9636TIP3 OH235216 2.916 -2.078 -0.555 + 9636TIP3 H135217 2.970 -2.131 -0.494 + 9636TIP3 H235218 2.834 -2.128 -0.566 + 9637TIP3 OH235219 2.902 -1.946 -0.056 + 9637TIP3 H135220 2.922 -2.041 -0.054 + 9637TIP3 H235221 2.981 -1.912 -0.103 + 9638TIP3 OH235222 2.919 -1.894 0.481 + 9638TIP3 H135223 3.014 -1.877 0.481 + 9638TIP3 H235224 2.899 -1.886 0.576 + 9639TIP3 OH235225 2.938 -1.815 0.761 + 9639TIP3 H135226 2.850 -1.783 0.789 + 9639TIP3 H235227 2.986 -1.731 0.751 + 9640TIP3 OH235228 1.364 -1.925 1.170 + 9640TIP3 H135229 1.442 -1.918 1.115 + 9640TIP3 H235230 1.306 -1.982 1.118 + 9641TIP3 OH235231 3.197 -2.402 1.296 + 9641TIP3 H135232 3.233 -2.473 1.240 + 9641TIP3 H235233 3.194 -2.327 1.234 + 9642TIP3 OH235234 2.945 -2.229 -0.063 + 9642TIP3 H135235 2.947 -2.261 0.029 + 9642TIP3 H235236 2.866 -2.276 -0.097 + 9643TIP3 OH235237 1.457 -2.121 0.420 + 9643TIP3 H135238 1.510 -2.203 0.420 + 9643TIP3 H235239 1.526 -2.056 0.437 + 9644TIP3 OH235240 1.349 -1.821 0.508 + 9644TIP3 H135241 1.377 -1.843 0.419 + 9644TIP3 H235242 1.382 -1.731 0.518 + 9645TIP3 OH235243 3.130 -2.200 1.118 + 9645TIP3 H135244 3.042 -2.158 1.123 + 9645TIP3 H235245 3.117 -2.255 1.038 + 9646TIP3 OH235246 3.144 -2.185 -0.391 + 9646TIP3 H135247 3.170 -2.262 -0.444 + 9646TIP3 H235248 3.222 -2.128 -0.396 + 9647TIP3 OH235249 1.353 -2.211 -0.088 + 9647TIP3 H135250 1.262 -2.192 -0.115 + 9647TIP3 H235251 1.405 -2.150 -0.141 + 9648TIP3 OH235252 1.368 -2.313 0.734 + 9648TIP3 H135253 1.298 -2.351 0.788 + 9648TIP3 H235254 1.318 -2.258 0.670 + 9649TIP3 OH235255 3.018 -2.376 0.916 + 9649TIP3 H135256 2.937 -2.356 0.866 + 9649TIP3 H235257 3.038 -2.466 0.882 + 9650TIP3 OH235258 2.368 -2.230 0.373 + 9650TIP3 H135259 2.290 -2.287 0.380 + 9650TIP3 H235260 2.408 -2.263 0.291 + 9651TIP3 OH235261 2.855 -2.424 0.410 + 9651TIP3 H135262 2.929 -2.379 0.366 + 9651TIP3 H235263 2.779 -2.399 0.355 + 9652TIP3 OH235264 3.069 -2.316 0.203 + 9652TIP3 H135265 3.134 -2.355 0.142 + 9652TIP3 H235266 3.092 -2.222 0.203 + 9653TIP3 OH235267 1.593 -2.349 0.132 + 9653TIP3 H135268 1.524 -2.346 0.063 + 9653TIP3 H235269 1.667 -2.386 0.084 + 9654TIP3 OH235270 1.478 -2.405 -0.298 + 9654TIP3 H135271 1.527 -2.336 -0.347 + 9654TIP3 H235272 1.428 -2.350 -0.235 + 9655TIP3 OH235273 2.055 -2.396 0.106 + 9655TIP3 H135274 2.132 -2.339 0.096 + 9655TIP3 H235275 2.029 -2.376 0.197 + 9656TIP3 OH235276 2.615 -2.373 0.251 + 9656TIP3 H135277 2.622 -2.380 0.155 + 9656TIP3 H235278 2.560 -2.450 0.273 + 9657TIP3 OH235279 2.716 -2.369 -0.156 + 9657TIP3 H135280 2.636 -2.313 -0.164 + 9657TIP3 H235281 2.676 -2.457 -0.144 + 9658TIP3 OH235282 1.657 -2.220 -0.458 + 9658TIP3 H135283 1.725 -2.274 -0.502 + 9658TIP3 H235284 1.709 -2.186 -0.382 + 9659TIP3 OH235285 2.170 -2.214 -0.196 + 9659TIP3 H135286 2.182 -2.264 -0.114 + 9659TIP3 H235287 2.161 -2.123 -0.163 + 9660TIP3 OH235288 1.575 -2.330 1.067 + 9660TIP3 H135289 1.536 -2.411 1.105 + 9660TIP3 H235290 1.667 -2.338 1.096 + 9661TIP3 OH235291 1.816 -2.392 1.247 + 9661TIP3 H135292 1.896 -2.427 1.204 + 9661TIP3 H235293 1.778 -2.473 1.286 + 9662TIP3 OH235294 2.625 -2.484 1.262 + 9662TIP3 H135295 2.630 -2.524 1.350 + 9662TIP3 H235296 2.719 -2.486 1.235 + 9663TIP3 OH235297 4.209 -1.566 0.453 + 9663TIP3 H135298 4.283 -1.547 0.514 + 9663TIP3 H235299 4.257 -1.573 0.370 + 9664TIP3 OH235300 3.519 -1.590 0.668 + 9664TIP3 H135301 3.570 -1.648 0.724 + 9664TIP3 H235302 3.583 -1.520 0.647 + 9665TIP3 OH235303 3.593 -1.109 0.459 + 9665TIP3 H135304 3.560 -1.200 0.446 + 9665TIP3 H235305 3.687 -1.124 0.477 + 9666TIP3 OH235306 3.279 -1.768 0.012 + 9666TIP3 H135307 3.233 -1.683 0.011 + 9666TIP3 H235308 3.213 -1.825 -0.029 + 9667TIP3 OH235309 3.356 -1.519 0.201 + 9667TIP3 H135310 3.360 -1.605 0.246 + 9667TIP3 H235311 3.432 -1.523 0.143 + 9668TIP3 OH235312 4.122 -1.288 0.518 + 9668TIP3 H135313 4.153 -1.365 0.467 + 9668TIP3 H235314 4.204 -1.259 0.560 + 9669TIP3 OH235315 3.743 -2.049 0.267 + 9669TIP3 H135316 3.755 -1.965 0.218 + 9669TIP3 H235317 3.711 -2.106 0.194 + 9670TIP3 OH235318 3.420 -1.772 0.317 + 9670TIP3 H135319 3.470 -1.834 0.371 + 9670TIP3 H235320 3.412 -1.821 0.233 + 9671TIP3 OH235321 3.952 -1.643 0.255 + 9671TIP3 H135322 4.026 -1.692 0.298 + 9671TIP3 H235323 3.900 -1.717 0.219 + 9672TIP3 OH235324 3.628 -2.171 0.682 + 9672TIP3 H135325 3.582 -2.132 0.606 + 9672TIP3 H235326 3.561 -2.158 0.752 + 9673TIP3 OH235327 3.910 -1.389 0.693 + 9673TIP3 H135328 3.842 -1.323 0.720 + 9673TIP3 H235329 3.981 -1.331 0.659 + 9674TIP3 OH235330 3.586 -1.966 0.476 + 9674TIP3 H135331 3.656 -1.911 0.513 + 9674TIP3 H235332 3.636 -2.009 0.403 + 9675TIP3 OH235333 3.710 -1.201 0.768 + 9675TIP3 H135334 3.714 -1.112 0.729 + 9675TIP3 H235335 3.623 -1.195 0.812 + 9676TIP3 OH235336 4.044 -2.426 0.398 + 9676TIP3 H135337 4.017 -2.520 0.395 + 9676TIP3 H235338 3.964 -2.384 0.434 + 9677TIP3 OH235339 4.278 -1.690 -0.436 + 9677TIP3 H135340 4.332 -1.715 -0.358 + 9677TIP3 H235341 4.285 -1.770 -0.489 + 9678TIP3 OH235342 3.768 -1.453 0.145 + 9678TIP3 H135343 3.718 -1.500 0.076 + 9678TIP3 H235344 3.815 -1.525 0.192 + 9679TIP3 OH235345 3.896 -1.120 0.435 + 9679TIP3 H135346 3.890 -1.151 0.344 + 9679TIP3 H235347 3.979 -1.160 0.466 + 9680TIP3 OH235348 3.810 -1.576 0.507 + 9680TIP3 H135349 3.871 -1.574 0.432 + 9680TIP3 H235350 3.850 -1.508 0.566 + 9681TIP3 OH235351 3.899 -1.139 0.989 + 9681TIP3 H135352 3.851 -1.069 1.036 + 9681TIP3 H235353 3.837 -1.160 0.917 + 9682TIP3 OH235354 4.239 -0.929 0.079 + 9682TIP3 H135355 4.297 -0.883 0.143 + 9682TIP3 H235356 4.202 -0.855 0.030 + 9683TIP3 OH235357 3.710 -0.921 1.071 + 9683TIP3 H135358 3.704 -0.914 0.974 + 9683TIP3 H235359 3.619 -0.946 1.097 + 9684TIP3 OH235360 3.683 -1.561 -0.103 + 9684TIP3 H135361 3.636 -1.492 -0.154 + 9684TIP3 H235362 3.626 -1.638 -0.121 + 9685TIP3 OH235363 3.261 -1.328 0.784 + 9685TIP3 H135364 3.229 -1.314 0.693 + 9685TIP3 H235365 3.245 -1.423 0.791 + 9686TIP3 OH235366 4.174 -1.037 0.941 + 9686TIP3 H135367 4.182 -0.946 0.973 + 9686TIP3 H235368 4.082 -1.061 0.959 + 9687TIP3 OH235369 4.183 -0.655 -0.074 + 9687TIP3 H135370 4.205 -0.648 -0.168 + 9687TIP3 H235371 4.205 -0.568 -0.038 + 9688TIP3 OH235372 3.470 -1.150 0.900 + 9688TIP3 H135373 3.496 -1.198 0.981 + 9688TIP3 H235374 3.396 -1.204 0.867 + 9689TIP3 OH235375 3.798 -2.306 0.480 + 9689TIP3 H135376 3.717 -2.318 0.428 + 9689TIP3 H235377 3.769 -2.237 0.541 + 9690TIP3 OH235378 4.232 -2.373 0.908 + 9690TIP3 H135379 4.246 -2.445 0.972 + 9690TIP3 H235380 4.142 -2.393 0.877 + 9691TIP3 OH235381 4.233 -2.095 -0.417 + 9691TIP3 H135382 4.170 -2.115 -0.346 + 9691TIP3 H235383 4.205 -2.157 -0.485 + 9692TIP3 OH235384 3.784 -1.829 0.634 + 9692TIP3 H135385 3.706 -1.828 0.690 + 9692TIP3 H235386 3.787 -1.739 0.595 + 9693TIP3 OH235387 3.771 -1.813 0.105 + 9693TIP3 H135388 3.676 -1.833 0.094 + 9693TIP3 H235389 3.806 -1.847 0.020 + 9694TIP3 OH235390 -4.346 -1.780 -0.191 + 9694TIP3 H135391 -4.395 -1.709 -0.147 + 9694TIP3 H235392 -4.271 -1.789 -0.129 + 9695TIP3 OH235393 4.247 -1.740 1.145 + 9695TIP3 H135394 4.195 -1.822 1.159 + 9695TIP3 H235395 4.337 -1.779 1.143 + 9696TIP3 OH235396 3.866 -2.047 -0.532 + 9696TIP3 H135397 3.821 -2.089 -0.456 + 9696TIP3 H235398 3.791 -2.030 -0.592 + 9697TIP3 OH235399 3.208 -2.054 0.169 + 9697TIP3 H135400 3.263 -2.076 0.247 + 9697TIP3 H235401 3.246 -2.107 0.097 + 9698TIP3 OH235402 3.364 -2.019 -0.254 + 9698TIP3 H135403 3.412 -1.973 -0.325 + 9698TIP3 H235404 3.289 -1.959 -0.240 + 9699TIP3 OH235405 4.340 -1.684 0.749 + 9699TIP3 H135406 4.378 -1.745 0.683 + 9699TIP3 H235407 4.274 -1.743 0.788 + 9700TIP3 OH235408 4.050 -2.077 0.212 + 9700TIP3 H135409 3.956 -2.078 0.235 + 9700TIP3 H235410 4.091 -2.071 0.300 + 9701TIP3 OH235411 3.513 -1.935 0.076 + 9701TIP3 H135412 3.426 -1.913 0.039 + 9701TIP3 H235413 3.534 -2.019 0.032 + 9702TIP3 OH235414 3.873 -1.896 -0.144 + 9702TIP3 H135415 3.970 -1.899 -0.151 + 9702TIP3 H235416 3.843 -1.857 -0.229 + 9703TIP3 OH235417 3.724 -1.784 -0.368 + 9703TIP3 H135418 3.662 -1.810 -0.438 + 9703TIP3 H235419 3.799 -1.752 -0.422 + 9704TIP3 OH235420 3.582 -1.345 1.102 + 9704TIP3 H135421 3.651 -1.327 1.168 + 9704TIP3 H235422 3.502 -1.335 1.157 + 9705TIP3 OH235423 4.146 -1.842 0.349 + 9705TIP3 H135424 4.225 -1.888 0.318 + 9705TIP3 H235425 4.158 -1.850 0.446 + 9706TIP3 OH235426 3.686 -2.168 0.016 + 9706TIP3 H135427 3.624 -2.241 0.029 + 9706TIP3 H235428 3.762 -2.213 -0.024 + 9707TIP3 OH235429 4.045 -1.970 0.623 + 9707TIP3 H135430 3.974 -1.905 0.618 + 9707TIP3 H235431 4.102 -1.933 0.693 + 9708TIP3 OH235432 4.187 -1.340 0.937 + 9708TIP3 H135433 4.195 -1.348 1.032 + 9708TIP3 H235434 4.214 -1.249 0.920 + 9709TIP3 OH235435 3.578 -1.396 0.407 + 9709TIP3 H135436 3.624 -1.388 0.322 + 9709TIP3 H235437 3.595 -1.488 0.430 + 9710TIP3 OH235438 4.266 -1.211 -0.278 + 9710TIP3 H135439 4.254 -1.116 -0.256 + 9710TIP3 H235440 4.174 -1.240 -0.277 + 9711TIP3 OH235441 3.992 -1.622 1.100 + 9711TIP3 H135442 3.995 -1.627 1.002 + 9711TIP3 H235443 4.086 -1.638 1.119 + 9712TIP3 OH235444 3.817 -1.061 0.113 + 9712TIP3 H135445 3.859 -0.974 0.114 + 9712TIP3 H235446 3.724 -1.036 0.108 + 9713TIP3 OH235447 3.408 -1.578 -0.416 + 9713TIP3 H135448 3.460 -1.505 -0.380 + 9713TIP3 H235449 3.318 -1.554 -0.386 + 9714TIP3 OH235450 3.981 -1.313 0.033 + 9714TIP3 H135451 3.998 -1.220 0.057 + 9714TIP3 H235452 3.918 -1.335 0.105 + 9715TIP3 OH235453 4.021 -0.857 0.719 + 9715TIP3 H135454 4.077 -0.785 0.683 + 9715TIP3 H235455 4.087 -0.909 0.766 + 9716TIP3 OH235456 3.827 -0.759 0.036 + 9716TIP3 H135457 3.738 -0.743 0.068 + 9716TIP3 H235458 3.873 -0.676 0.063 + 9717TIP3 OH235459 3.446 -2.072 0.881 + 9717TIP3 H135460 3.356 -2.044 0.853 + 9717TIP3 H235461 3.428 -2.159 0.919 + 9718TIP3 OH235462 3.427 -0.900 0.709 + 9718TIP3 H135463 3.443 -0.995 0.705 + 9718TIP3 H235464 3.438 -0.881 0.802 + 9719TIP3 OH235465 3.994 -1.048 -0.575 + 9719TIP3 H135466 4.025 -1.120 -0.634 + 9719TIP3 H235467 3.965 -1.100 -0.498 + 9720TIP3 OH235468 3.925 -1.136 -0.277 + 9720TIP3 H135469 3.925 -1.151 -0.182 + 9720TIP3 H235470 3.916 -1.039 -0.279 + 9721TIP3 OH235471 3.554 -1.337 -0.244 + 9721TIP3 H135472 3.471 -1.301 -0.211 + 9721TIP3 H235473 3.591 -1.258 -0.288 + 9722TIP3 OH235474 4.332 -2.066 0.792 + 9722TIP3 H135475 4.394 -2.139 0.805 + 9722TIP3 H235476 4.273 -2.105 0.726 + 9723TIP3 OH235477 4.169 -0.943 -0.252 + 9723TIP3 H135478 4.091 -0.890 -0.228 + 9723TIP3 H235479 4.215 -0.882 -0.310 + 9724TIP3 OH235480 4.137 -1.947 -0.032 + 9724TIP3 H135481 4.232 -1.939 -0.023 + 9724TIP3 H235482 4.111 -1.983 0.055 + 9725TIP3 OH235483 4.164 -1.874 0.877 + 9725TIP3 H135484 4.189 -1.831 0.960 + 9725TIP3 H235485 4.230 -1.947 0.871 + 9726TIP3 OH235486 4.193 -2.269 0.074 + 9726TIP3 H135487 4.168 -2.191 0.128 + 9726TIP3 H235488 4.272 -2.238 0.027 + 9727TIP3 OH235489 3.889 -0.841 -0.243 + 9727TIP3 H135490 3.891 -0.760 -0.299 + 9727TIP3 H235491 3.873 -0.803 -0.155 + 9728TIP3 OH235492 3.768 -2.162 -0.300 + 9728TIP3 H135493 3.766 -2.090 -0.236 + 9728TIP3 H235494 3.847 -2.213 -0.274 + 9729TIP3 OH235495 3.622 -1.085 -0.374 + 9729TIP3 H135496 3.684 -1.012 -0.357 + 9729TIP3 H235497 3.664 -1.126 -0.451 + 9730TIP3 OH235498 3.424 -1.855 -0.475 + 9730TIP3 H135499 3.429 -1.760 -0.454 + 9730TIP3 H235500 3.341 -1.861 -0.525 + 9731TIP3 OH235501 3.517 -2.352 0.401 + 9731TIP3 H135502 3.498 -2.355 0.305 + 9731TIP3 H235503 3.483 -2.438 0.431 + 9732TIP3 OH235504 3.350 -0.709 1.137 + 9732TIP3 H135505 3.397 -0.743 1.215 + 9732TIP3 H235506 3.296 -0.787 1.110 + 9733TIP3 OH235507 3.811 -0.809 1.323 + 9733TIP3 H135508 3.882 -0.872 1.341 + 9733TIP3 H235509 3.789 -0.832 1.231 + 9734TIP3 OH235510 4.230 -0.883 -0.548 + 9734TIP3 H135511 4.145 -0.931 -0.544 + 9734TIP3 H235512 4.290 -0.958 -0.564 + 9735TIP3 OH235513 3.345 -1.351 1.247 + 9735TIP3 H135514 3.328 -1.446 1.237 + 9735TIP3 H235515 3.270 -1.314 1.195 + 9736TIP3 OH235516 3.766 -1.309 -0.534 + 9736TIP3 H135517 3.773 -1.395 -0.490 + 9736TIP3 H235518 3.846 -1.310 -0.590 + 9737TIP3 OH235519 3.999 -1.332 1.190 + 9737TIP3 H135520 3.982 -1.293 1.102 + 9737TIP3 H235521 4.016 -1.425 1.170 + 9738TIP3 OH235522 4.265 -1.173 -0.586 + 9738TIP3 H135523 4.283 -1.165 -0.491 + 9738TIP3 H235524 4.246 -1.269 -0.594 + 9739TIP3 OH235525 3.721 -1.668 0.900 + 9739TIP3 H135526 3.753 -1.605 0.967 + 9739TIP3 H235527 3.804 -1.682 0.851 + 9740TIP3 OH235528 3.983 -1.668 -0.458 + 9740TIP3 H135529 3.960 -1.670 -0.552 + 9740TIP3 H235530 4.080 -1.668 -0.463 + 9741TIP3 OH235531 4.278 -1.476 1.285 + 9741TIP3 H135532 4.353 -1.501 1.230 + 9741TIP3 H235533 4.270 -1.556 1.339 + 9742TIP3 OH235534 3.856 -1.994 1.031 + 9742TIP3 H135535 3.862 -2.064 0.963 + 9742TIP3 H235536 3.849 -1.916 0.976 + 9743TIP3 OH235537 3.885 -2.143 0.777 + 9743TIP3 H135538 3.936 -2.093 0.710 + 9743TIP3 H235539 3.795 -2.147 0.739 + 9744TIP3 OH235540 4.050 -1.607 0.813 + 9744TIP3 H135541 4.130 -1.617 0.758 + 9744TIP3 H235542 4.025 -1.516 0.790 + 9745TIP3 OH235543 3.655 -1.799 1.170 + 9745TIP3 H135544 3.609 -1.870 1.219 + 9745TIP3 H235545 3.746 -1.834 1.168 + 9746TIP3 OH235546 3.971 -2.409 0.810 + 9746TIP3 H135547 3.946 -2.316 0.793 + 9746TIP3 H235548 3.905 -2.457 0.755 + 9747TIP3 OH235549 4.101 -1.962 1.185 + 9747TIP3 H135550 4.068 -1.994 1.271 + 9747TIP3 H235551 4.028 -1.989 1.127 + 9748TIP3 OH235552 3.536 -2.065 1.193 + 9748TIP3 H135553 3.530 -2.139 1.129 + 9748TIP3 H235554 3.519 -2.112 1.277 + 9749TIP3 OH235555 3.947 -2.462 1.093 + 9749TIP3 H135556 4.004 -2.540 1.098 + 9749TIP3 H235557 3.943 -2.449 0.996 + 9750TIP3 OH235558 4.037 -2.280 1.285 + 9750TIP3 H135559 4.011 -2.339 1.211 + 9750TIP3 H235560 3.968 -2.213 1.281 + 9751TIP3 OH235561 3.957 -0.584 -0.373 + 9751TIP3 H135562 4.052 -0.568 -0.366 + 9751TIP3 H235563 3.936 -0.531 -0.452 + 9752TIP3 OH235564 3.322 -1.131 -0.420 + 9752TIP3 H135565 3.415 -1.115 -0.399 + 9752TIP3 H235566 3.325 -1.210 -0.477 + 9753TIP3 OH235567 3.270 -1.479 0.499 + 9753TIP3 H135568 3.281 -1.459 0.405 + 9753TIP3 H235569 3.362 -1.474 0.530 + 9754TIP3 OH235570 3.283 -1.942 1.134 + 9754TIP3 H135571 3.370 -1.985 1.142 + 9754TIP3 H235572 3.224 -2.020 1.135 + 9755TIP3 OH235573 3.349 -2.108 0.411 + 9755TIP3 H135574 3.390 -2.196 0.419 + 9755TIP3 H235575 3.419 -2.051 0.449 + 9756TIP3 OH235576 3.208 -1.833 0.525 + 9756TIP3 H135577 3.251 -1.851 0.440 + 9756TIP3 H235578 3.247 -1.747 0.547 + 9757TIP3 OH235579 3.250 -2.203 -0.072 + 9757TIP3 H135580 3.156 -2.206 -0.098 + 9757TIP3 H235581 3.290 -2.149 -0.143 + 9758TIP3 OH235582 3.258 -2.317 0.737 + 9758TIP3 H135583 3.187 -2.348 0.796 + 9758TIP3 H235584 3.206 -2.268 0.671 + 9759TIP3 OH235585 3.446 -1.016 1.201 + 9759TIP3 H135586 3.372 -1.008 1.138 + 9759TIP3 H235587 3.401 -1.010 1.285 + 9760TIP3 OH235588 3.748 -0.914 0.779 + 9760TIP3 H135589 3.706 -0.836 0.736 + 9760TIP3 H235590 3.842 -0.897 0.756 + 9761TIP3 OH235591 4.219 -0.749 1.062 + 9761TIP3 H135592 4.206 -0.786 1.150 + 9761TIP3 H235593 4.314 -0.728 1.066 + 9762TIP3 OH235594 3.459 -0.581 0.798 + 9762TIP3 H135595 3.385 -0.552 0.744 + 9762TIP3 H235596 3.416 -0.608 0.880 + 9763TIP3 OH235597 3.725 -0.637 0.670 + 9763TIP3 H135598 3.636 -0.616 0.705 + 9763TIP3 H235599 3.731 -0.574 0.596 + 9764TIP3 OH235600 4.194 -0.660 0.618 + 9764TIP3 H135601 4.178 -0.612 0.535 + 9764TIP3 H235602 4.261 -0.605 0.660 + 9765TIP3 OH235603 3.624 -0.854 0.312 + 9765TIP3 H135604 3.591 -0.930 0.364 + 9765TIP3 H235605 3.698 -0.824 0.368 + 9766TIP3 OH235606 3.908 -0.811 0.430 + 9766TIP3 H135607 3.921 -0.904 0.408 + 9766TIP3 H235608 3.913 -0.813 0.527 + 9767TIP3 OH235609 4.259 -2.254 0.364 + 9767TIP3 H135610 4.180 -2.310 0.377 + 9767TIP3 H235611 4.300 -2.297 0.289 + 9768TIP3 OH235612 3.482 -2.355 0.117 + 9768TIP3 H135613 3.395 -2.366 0.074 + 9768TIP3 H235614 3.521 -2.443 0.103 + 9769TIP3 OH235615 3.369 -2.409 -0.290 + 9769TIP3 H135616 3.412 -2.342 -0.347 + 9769TIP3 H235617 3.317 -2.354 -0.230 + 9770TIP3 OH235618 3.932 -2.368 0.106 + 9770TIP3 H135619 4.027 -2.345 0.098 + 9770TIP3 H235620 3.926 -2.385 0.201 + 9771TIP3 OH235621 3.531 -2.225 -0.449 + 9771TIP3 H135622 3.590 -2.279 -0.504 + 9771TIP3 H235623 3.593 -2.192 -0.382 + 9772TIP3 OH235624 4.079 -2.199 -0.191 + 9772TIP3 H135625 4.067 -2.268 -0.123 + 9772TIP3 H235626 4.049 -2.119 -0.145 + 9773TIP3 OH235627 4.264 -0.650 -0.366 + 9773TIP3 H135628 4.350 -0.608 -0.384 + 9773TIP3 H235629 4.249 -0.704 -0.446 + 9774TIP3 OH235630 3.464 -2.323 1.074 + 9774TIP3 H135631 3.418 -2.404 1.102 + 9774TIP3 H235632 3.555 -2.347 1.094 + 9775TIP3 OH235633 3.702 -2.392 1.247 + 9775TIP3 H135634 3.782 -2.430 1.206 + 9775TIP3 H235635 3.662 -2.472 1.287 + 9776TIP3 OH235636 3.520 -0.725 -0.493 + 9776TIP3 H135637 3.502 -0.680 -0.409 + 9776TIP3 H235638 3.606 -0.766 -0.479 + 9777TIP3 OH235639 -3.161 0.406 0.146 + 9777TIP3 H135640 -3.163 0.503 0.151 + 9777TIP3 H235641 -3.236 0.388 0.088 + 9778TIP3 OH235642 -3.267 0.351 0.456 + 9778TIP3 H135643 -3.272 0.287 0.528 + 9778TIP3 H235644 -3.293 0.295 0.381 + 9779TIP3 OH235645 -4.031 0.308 0.617 + 9779TIP3 H135646 -4.032 0.233 0.680 + 9779TIP3 H235647 -3.957 0.360 0.650 + 9780TIP3 OH235648 -2.903 0.625 0.283 + 9780TIP3 H135649 -2.941 0.551 0.333 + 9780TIP3 H235650 -2.876 0.684 0.354 + 9781TIP3 OH235651 -3.960 0.768 0.471 + 9781TIP3 H135652 -3.988 0.679 0.440 + 9781TIP3 H235653 -3.865 0.753 0.482 + 9782TIP3 OH235654 -4.182 0.190 -0.072 + 9782TIP3 H135655 -4.218 0.267 -0.025 + 9782TIP3 H235656 -4.221 0.119 -0.020 + 9783TIP3 OH235657 -4.211 0.349 0.181 + 9783TIP3 H135658 -4.182 0.281 0.244 + 9783TIP3 H235659 -4.128 0.387 0.150 + 9784TIP3 OH235660 -3.197 1.161 0.340 + 9784TIP3 H135661 -3.141 1.088 0.307 + 9784TIP3 H235662 -3.230 1.125 0.424 + 9785TIP3 OH235663 -3.425 0.599 0.510 + 9785TIP3 H135664 -3.395 0.529 0.449 + 9785TIP3 H235665 -3.342 0.613 0.559 + 9786TIP3 OH235666 -3.092 0.027 0.560 + 9786TIP3 H135667 -3.088 -0.071 0.562 + 9786TIP3 H235668 -3.108 0.041 0.465 + 9787TIP3 OH235669 -3.809 -0.157 0.263 + 9787TIP3 H135670 -3.785 -0.076 0.214 + 9787TIP3 H235671 -3.833 -0.217 0.191 + 9788TIP3 OH235672 -3.020 -0.150 0.104 + 9788TIP3 H135673 -2.970 -0.199 0.171 + 9788TIP3 H235674 -2.951 -0.103 0.055 + 9789TIP3 OH235675 -4.137 0.108 0.322 + 9789TIP3 H135676 -4.076 0.064 0.383 + 9789TIP3 H235677 -4.121 0.056 0.241 + 9790TIP3 OH235678 -3.593 0.244 0.266 + 9790TIP3 H135679 -3.521 0.189 0.303 + 9790TIP3 H235680 -3.642 0.179 0.213 + 9791TIP3 OH235681 -3.921 -0.288 0.690 + 9791TIP3 H135682 -3.956 -0.251 0.607 + 9791TIP3 H235683 -3.985 -0.256 0.755 + 9792TIP3 OH235684 -3.161 0.697 0.017 + 9792TIP3 H135685 -3.206 0.660 -0.060 + 9792TIP3 H235686 -3.216 0.775 0.038 + 9793TIP3 OH235687 -3.622 0.502 0.697 + 9793TIP3 H135688 -3.697 0.560 0.721 + 9793TIP3 H235689 -3.563 0.562 0.648 + 9794TIP3 OH235690 -3.957 -0.078 0.477 + 9794TIP3 H135691 -3.888 -0.023 0.518 + 9794TIP3 H235692 -3.903 -0.120 0.406 + 9795TIP3 OH235693 -3.827 0.688 0.772 + 9795TIP3 H135694 -3.830 0.777 0.732 + 9795TIP3 H235695 -3.917 0.682 0.809 + 9796TIP3 OH235696 -2.842 0.802 0.534 + 9796TIP3 H135697 -2.939 0.812 0.534 + 9796TIP3 H235698 -2.815 0.890 0.503 + 9797TIP3 OH235699 -3.017 0.997 0.196 + 9797TIP3 H135700 -2.973 0.917 0.160 + 9797TIP3 H235701 -2.952 1.066 0.174 + 9798TIP3 OH235702 -2.871 0.781 0.042 + 9798TIP3 H135703 -2.934 0.738 -0.017 + 9798TIP3 H235704 -2.875 0.723 0.120 + 9799TIP3 OH235705 -3.295 0.362 -0.129 + 9799TIP3 H135706 -3.366 0.416 -0.170 + 9799TIP3 H235707 -3.227 0.363 -0.198 + 9800TIP3 OH235708 -3.266 0.177 -0.424 + 9800TIP3 H135709 -3.194 0.207 -0.366 + 9800TIP3 H235710 -3.218 0.116 -0.482 + 9801TIP3 OH235711 -2.946 0.366 -0.027 + 9801TIP3 H135712 -3.014 0.378 0.043 + 9801TIP3 H235713 -2.883 0.306 0.018 + 9802TIP3 OH235714 -2.941 0.194 0.856 + 9802TIP3 H135715 -2.945 0.268 0.918 + 9802TIP3 H235716 -3.010 0.221 0.792 + 9803TIP3 OH235717 -3.784 0.435 0.156 + 9803TIP3 H135718 -3.818 0.400 0.071 + 9803TIP3 H235719 -3.721 0.365 0.182 + 9804TIP3 OH235720 -3.648 0.774 0.432 + 9804TIP3 H135721 -3.662 0.741 0.342 + 9804TIP3 H235722 -3.568 0.725 0.459 + 9805TIP3 OH235723 -3.730 0.317 0.505 + 9805TIP3 H135724 -3.674 0.315 0.424 + 9805TIP3 H235725 -3.684 0.382 0.561 + 9806TIP3 OH235726 -3.131 0.867 0.561 + 9806TIP3 H135727 -3.129 0.933 0.632 + 9806TIP3 H235728 -3.151 0.784 0.607 + 9807TIP3 OH235729 -3.642 0.747 0.988 + 9807TIP3 H135730 -3.695 0.813 1.035 + 9807TIP3 H235731 -3.705 0.719 0.918 + 9808TIP3 OH235732 -3.046 0.308 -0.284 + 9808TIP3 H135733 -3.002 0.332 -0.200 + 9808TIP3 H235734 -2.991 0.356 -0.350 + 9809TIP3 OH235735 -3.954 0.380 0.905 + 9809TIP3 H135736 -3.948 0.441 0.981 + 9809TIP3 H235737 -4.050 0.378 0.890 + 9810TIP3 OH235738 -3.297 0.963 0.078 + 9810TIP3 H135739 -3.258 0.993 0.161 + 9810TIP3 H235740 -3.354 1.037 0.052 + 9811TIP3 OH235741 -3.835 0.963 1.072 + 9811TIP3 H135742 -3.841 0.968 0.975 + 9811TIP3 H235743 -3.927 0.944 1.098 + 9812TIP3 OH235744 -2.696 -0.522 -0.349 + 9812TIP3 H135745 -2.764 -0.532 -0.279 + 9812TIP3 H235746 -2.642 -0.451 -0.314 + 9813TIP3 OH235747 -3.895 0.313 -0.095 + 9813TIP3 H135748 -3.922 0.397 -0.139 + 9813TIP3 H235749 -3.973 0.258 -0.115 + 9814TIP3 OH235750 -4.267 0.591 0.762 + 9814TIP3 H135751 -4.286 0.558 0.672 + 9814TIP3 H235752 -4.306 0.520 0.815 + 9815TIP3 OH235753 -4.284 0.866 0.463 + 9815TIP3 H135754 -4.197 0.826 0.476 + 9815TIP3 H235755 -4.296 0.920 0.541 + 9816TIP3 OH235756 -2.450 0.924 1.041 + 9816TIP3 H135757 -2.466 0.829 1.027 + 9816TIP3 H235758 -2.533 0.952 1.083 + 9817TIP3 OH235759 -3.379 0.852 0.931 + 9817TIP3 H135760 -3.372 0.934 0.983 + 9817TIP3 H235761 -3.469 0.821 0.953 + 9818TIP3 OH235762 -3.359 1.243 -0.063 + 9818TIP3 H135763 -3.354 1.232 -0.160 + 9818TIP3 H235764 -3.333 1.335 -0.049 + 9819TIP3 OH235765 -3.984 1.145 0.092 + 9819TIP3 H135766 -3.962 1.100 0.175 + 9819TIP3 H235767 -4.052 1.083 0.058 + 9820TIP3 OH235768 -3.014 1.172 -0.363 + 9820TIP3 H135769 -2.957 1.108 -0.410 + 9820TIP3 H235770 -3.020 1.131 -0.275 + 9821TIP3 OH235771 -3.079 1.126 -0.072 + 9821TIP3 H135772 -3.176 1.127 -0.063 + 9821TIP3 H235773 -3.060 1.047 -0.019 + 9822TIP3 OH235774 -2.767 0.062 1.085 + 9822TIP3 H135775 -2.814 0.102 1.010 + 9822TIP3 H235776 -2.770 -0.031 1.059 + 9823TIP3 OH235777 -4.074 0.732 0.912 + 9823TIP3 H135778 -4.042 0.671 0.981 + 9823TIP3 H235779 -4.148 0.682 0.870 + 9824TIP3 OH235780 -3.730 -0.373 0.482 + 9824TIP3 H135781 -3.779 -0.437 0.429 + 9824TIP3 H235782 -3.784 -0.362 0.561 + 9825TIP3 OH235783 -3.309 -0.458 0.894 + 9825TIP3 H135784 -3.255 -0.535 0.918 + 9825TIP3 H235785 -3.394 -0.498 0.867 + 9826TIP3 OH235786 -2.945 -0.105 0.916 + 9826TIP3 H135787 -3.021 -0.127 0.973 + 9826TIP3 H235788 -2.973 -0.024 0.871 + 9827TIP3 OH235789 -2.873 0.414 -0.481 + 9827TIP3 H135790 -2.893 0.391 -0.574 + 9827TIP3 H235791 -2.783 0.446 -0.489 + 9828TIP3 OH235792 -3.331 -0.213 -0.425 + 9828TIP3 H135793 -3.379 -0.228 -0.343 + 9828TIP3 H235794 -3.369 -0.282 -0.481 + 9829TIP3 OH235795 -3.757 0.059 0.627 + 9829TIP3 H135796 -3.825 0.067 0.695 + 9829TIP3 H235797 -3.755 0.148 0.586 + 9830TIP3 OH235798 -3.769 0.068 0.108 + 9830TIP3 H135799 -3.864 0.062 0.091 + 9830TIP3 H235800 -3.733 0.048 0.019 + 9831TIP3 OH235801 -3.207 0.123 -0.008 + 9831TIP3 H135802 -3.251 0.203 -0.045 + 9831TIP3 H235803 -3.140 0.105 -0.076 + 9832TIP3 OH235804 -3.284 0.141 1.134 + 9832TIP3 H135805 -3.335 0.063 1.162 + 9832TIP3 H235806 -3.195 0.120 1.168 + 9833TIP3 OH235807 -3.109 0.066 0.267 + 9833TIP3 H135808 -3.145 0.120 0.195 + 9833TIP3 H235809 -3.098 -0.019 0.220 + 9834TIP3 OH235810 -4.025 0.074 0.809 + 9834TIP3 H135811 -3.993 0.109 0.893 + 9834TIP3 H235812 -4.055 -0.015 0.835 + 9835TIP3 OH235813 -3.686 -0.169 -0.536 + 9835TIP3 H135814 -3.721 -0.203 -0.451 + 9835TIP3 H235815 -3.766 -0.155 -0.588 + 9836TIP3 OH235816 -4.327 -0.176 0.173 + 9836TIP3 H135817 -4.302 -0.193 0.266 + 9836TIP3 H235818 -4.272 -0.239 0.126 + 9837TIP3 OH235819 -4.212 -0.115 -0.239 + 9837TIP3 H135820 -4.149 -0.094 -0.310 + 9837TIP3 H235821 -4.295 -0.085 -0.279 + 9838TIP3 OH235822 -3.198 0.226 0.720 + 9838TIP3 H135823 -3.161 0.154 0.664 + 9838TIP3 H235824 -3.241 0.176 0.790 + 9839TIP3 OH235825 -3.487 -0.167 0.222 + 9839TIP3 H135826 -3.581 -0.189 0.238 + 9839TIP3 H235827 -3.446 -0.214 0.297 + 9840TIP3 OH235828 -4.043 -0.055 0.080 + 9840TIP3 H135829 -4.114 -0.044 0.017 + 9840TIP3 H235830 -3.998 -0.135 0.045 + 9841TIP3 OH235831 -3.672 -0.022 -0.150 + 9841TIP3 H135832 -3.575 -0.014 -0.144 + 9841TIP3 H235833 -3.697 0.041 -0.220 + 9842TIP3 OH235834 -3.085 -0.249 0.518 + 9842TIP3 H135835 -3.129 -0.278 0.599 + 9842TIP3 H235836 -3.113 -0.319 0.457 + 9843TIP3 OH235837 -3.824 0.100 -0.375 + 9843TIP3 H135838 -3.882 0.072 -0.447 + 9843TIP3 H235839 -3.743 0.123 -0.422 + 9844TIP3 OH235840 -2.750 1.314 1.182 + 9844TIP3 H135841 -2.727 1.360 1.099 + 9844TIP3 H235842 -2.679 1.345 1.242 + 9845TIP3 OH235843 -3.952 0.576 1.125 + 9845TIP3 H135844 -3.890 0.580 1.200 + 9845TIP3 H235845 -4.037 0.586 1.173 + 9846TIP3 OH235846 -3.381 0.082 0.403 + 9846TIP3 H135847 -3.323 0.029 0.347 + 9846TIP3 H235848 -3.406 0.016 0.471 + 9847TIP3 OH235849 -3.875 -0.285 0.014 + 9847TIP3 H135850 -3.913 -0.372 0.028 + 9847TIP3 H235851 -3.786 -0.309 -0.014 + 9848TIP3 OH235852 -3.483 -0.071 0.618 + 9848TIP3 H135853 -3.568 -0.025 0.621 + 9848TIP3 H235854 -3.444 -0.054 0.706 + 9849TIP3 OH235855 -3.477 0.566 -0.191 + 9849TIP3 H135856 -3.554 0.518 -0.231 + 9849TIP3 H235857 -3.501 0.567 -0.096 + 9850TIP3 OH235858 -2.749 0.491 0.713 + 9850TIP3 H135859 -2.682 0.516 0.647 + 9850TIP3 H235860 -2.820 0.458 0.656 + 9851TIP3 OH235861 -3.062 -0.151 -0.412 + 9851TIP3 H135862 -3.161 -0.157 -0.414 + 9851TIP3 H235863 -3.046 -0.079 -0.348 + 9852TIP3 OH235864 -3.299 0.565 0.944 + 9852TIP3 H135865 -3.337 0.527 1.024 + 9852TIP3 H235866 -3.340 0.653 0.942 + 9853TIP3 OH235867 -2.996 0.031 -0.204 + 9853TIP3 H135868 -2.908 0.011 -0.168 + 9853TIP3 H235869 -2.980 0.115 -0.252 + 9854TIP3 OH235870 -3.972 0.496 0.384 + 9854TIP3 H135871 -3.912 0.487 0.307 + 9854TIP3 H235872 -3.959 0.411 0.429 + 9855TIP3 OH235873 -3.237 0.697 -0.295 + 9855TIP3 H135874 -3.263 0.782 -0.254 + 9855TIP3 H235875 -3.314 0.641 -0.271 + 9856TIP3 OH235876 -4.242 0.347 0.950 + 9856TIP3 H135877 -4.230 0.279 1.018 + 9856TIP3 H235878 -4.287 0.296 0.879 + 9857TIP3 OH235879 -3.540 0.279 1.120 + 9857TIP3 H135880 -3.578 0.252 1.034 + 9857TIP3 H235881 -3.448 0.250 1.108 + 9858TIP3 OH235882 -3.079 0.829 0.900 + 9858TIP3 H135883 -3.173 0.823 0.874 + 9858TIP3 H235884 -3.088 0.853 0.994 + 9859TIP3 OH235885 -2.532 0.643 1.015 + 9859TIP3 H135886 -2.594 0.623 0.944 + 9859TIP3 H235887 -2.450 0.621 0.965 + 9860TIP3 OH235888 -2.704 0.891 -0.235 + 9860TIP3 H135889 -2.741 0.812 -0.193 + 9860TIP3 H235890 -2.648 0.856 -0.305 + 9861TIP3 OH235891 -2.978 0.414 0.524 + 9861TIP3 H135892 -3.070 0.398 0.495 + 9861TIP3 H235893 -2.933 0.340 0.478 + 9862TIP3 OH235894 -3.730 0.833 0.132 + 9862TIP3 H135895 -3.690 0.916 0.101 + 9862TIP3 H235896 -3.816 0.835 0.088 + 9863TIP3 OH235897 -4.150 0.334 -0.407 + 9863TIP3 H135898 -4.078 0.386 -0.364 + 9863TIP3 H235899 -4.222 0.394 -0.384 + 9864TIP3 OH235900 -3.541 0.601 0.088 + 9864TIP3 H135901 -3.578 0.690 0.096 + 9864TIP3 H235902 -3.614 0.546 0.122 + 9865TIP3 OH235903 -3.527 1.025 0.718 + 9865TIP3 H135904 -3.471 1.098 0.687 + 9865TIP3 H235905 -3.464 0.975 0.773 + 9866TIP3 OH235906 -3.681 1.120 0.041 + 9866TIP3 H135907 -3.777 1.127 0.047 + 9866TIP3 H235908 -3.652 1.210 0.063 + 9867TIP3 OH235909 -3.170 0.601 0.685 + 9867TIP3 H135910 -3.211 0.564 0.765 + 9867TIP3 H235911 -3.110 0.530 0.657 + 9868TIP3 OH235912 -2.964 0.738 -0.426 + 9868TIP3 H135913 -2.922 0.689 -0.354 + 9868TIP3 H235914 -3.058 0.720 -0.407 + 9869TIP3 OH235915 -2.890 1.056 0.913 + 9869TIP3 H135916 -2.966 1.013 0.868 + 9869TIP3 H235917 -2.877 1.136 0.859 + 9870TIP3 OH235918 -4.110 -0.188 0.900 + 9870TIP3 H135919 -4.185 -0.166 0.841 + 9870TIP3 H235920 -4.122 -0.283 0.920 + 9871TIP3 OH235921 -2.818 0.589 -0.196 + 9871TIP3 H135922 -2.875 0.522 -0.155 + 9871TIP3 H235923 -2.740 0.580 -0.142 + 9872TIP3 OH235924 -4.129 0.974 0.726 + 9872TIP3 H135925 -4.111 0.879 0.731 + 9872TIP3 H235926 -4.093 1.003 0.811 + 9873TIP3 OH235927 -3.542 0.834 -0.576 + 9873TIP3 H135928 -3.518 0.752 -0.621 + 9873TIP3 H235929 -3.591 0.799 -0.498 + 9874TIP3 OH235930 -3.648 0.788 -0.325 + 9874TIP3 H135931 -3.645 0.727 -0.250 + 9874TIP3 H235932 -3.667 0.874 -0.283 + 9875TIP3 OH235933 -3.218 -0.192 0.779 + 9875TIP3 H135934 -3.131 -0.211 0.818 + 9875TIP3 H235935 -3.261 -0.280 0.785 + 9876TIP3 OH235936 -3.136 -0.279 -0.134 + 9876TIP3 H135937 -3.121 -0.224 -0.213 + 9876TIP3 H235938 -3.095 -0.227 -0.063 + 9877TIP3 OH235939 -3.356 0.970 -0.237 + 9877TIP3 H135940 -3.451 0.990 -0.232 + 9877TIP3 H235941 -3.336 0.990 -0.330 + 9878TIP3 OH235942 -3.405 -0.079 -0.043 + 9878TIP3 H135943 -3.329 -0.019 -0.028 + 9878TIP3 H235944 -3.434 -0.098 0.048 + 9879TIP3 OH235945 -3.386 0.007 0.887 + 9879TIP3 H135946 -3.350 0.063 0.957 + 9879TIP3 H235947 -3.318 -0.063 0.875 + 9880TIP3 OH235948 -3.341 -0.379 0.047 + 9880TIP3 H135949 -3.358 -0.318 0.121 + 9880TIP3 H235950 -3.269 -0.335 -0.001 + 9881TIP3 OH235951 -3.638 1.061 -0.243 + 9881TIP3 H135952 -3.652 1.142 -0.296 + 9881TIP3 H235953 -3.657 1.091 -0.153 + 9882TIP3 OH235954 -3.773 -0.275 -0.295 + 9882TIP3 H135955 -3.768 -0.198 -0.236 + 9882TIP3 H235956 -3.694 -0.325 -0.266 + 9883TIP3 OH235957 -2.874 0.188 0.380 + 9883TIP3 H135958 -2.954 0.147 0.340 + 9883TIP3 H235959 -2.824 0.109 0.405 + 9884TIP3 OH235960 -4.114 0.025 -0.472 + 9884TIP3 H135961 -4.103 0.120 -0.452 + 9884TIP3 H235962 -4.195 0.021 -0.523 + 9885TIP3 OH235963 -2.777 1.086 0.519 + 9885TIP3 H135964 -2.804 1.158 0.459 + 9885TIP3 H235965 -2.681 1.103 0.523 + 9886TIP3 OH235966 -4.041 -0.472 0.405 + 9886TIP3 H135967 -4.054 -0.477 0.308 + 9886TIP3 H235968 -4.071 -0.561 0.434 + 9887TIP3 OH235969 -4.130 0.914 0.035 + 9887TIP3 H135970 -4.226 0.905 0.024 + 9887TIP3 H235971 -4.098 0.881 -0.050 + 9888TIP3 OH235972 -4.215 1.166 1.148 + 9888TIP3 H135973 -4.151 1.166 1.222 + 9888TIP3 H235974 -4.214 1.071 1.131 + 9889TIP3 OH235975 -3.727 1.079 1.321 + 9889TIP3 H135976 -3.657 1.014 1.341 + 9889TIP3 H235977 -3.750 1.053 1.231 + 9890TIP3 OH235978 -3.323 1.002 -0.521 + 9890TIP3 H135979 -3.400 0.942 -0.536 + 9890TIP3 H235980 -3.253 0.951 -0.564 + 9891TIP3 OH235981 -3.061 0.892 1.173 + 9891TIP3 H135982 -3.116 0.824 1.216 + 9891TIP3 H235983 -3.009 0.926 1.248 + 9892TIP3 OH235984 -2.825 1.006 -0.536 + 9892TIP3 H135985 -2.823 0.916 -0.501 + 9892TIP3 H235986 -2.760 1.001 -0.607 + 9893TIP3 OH235987 -4.199 0.572 1.211 + 9893TIP3 H135988 -4.189 0.482 1.176 + 9893TIP3 H235989 -4.285 0.598 1.174 + 9894TIP3 OH235990 -3.777 0.571 -0.562 + 9894TIP3 H135991 -3.776 0.548 -0.468 + 9894TIP3 H235992 -3.684 0.567 -0.586 + 9895TIP3 OH235993 -3.539 0.556 1.188 + 9895TIP3 H135994 -3.569 0.588 1.102 + 9895TIP3 H235995 -3.530 0.460 1.173 + 9896TIP3 OH235996 -3.252 0.710 -0.582 + 9896TIP3 H135997 -3.264 0.704 -0.485 + 9896TIP3 H235998 -3.260 0.615 -0.605 + 9897TIP3 OH235999 -2.952 0.568 0.943 + 9897TIP3 H136000 -2.906 0.565 0.857 + 9897TIP3 H236001 -3.041 0.600 0.917 + 9898TIP3 OH236002 -4.135 0.241 1.188 + 9898TIP3 H136003 -4.054 0.187 1.175 + 9898TIP3 H236004 -4.122 0.271 1.279 + 9899TIP3 OH236005 -3.662 0.386 -0.307 + 9899TIP3 H136006 -3.738 0.349 -0.259 + 9899TIP3 H236007 -3.645 0.317 -0.373 + 9900TIP3 OH236008 -3.751 0.166 0.922 + 9900TIP3 H136009 -3.806 0.246 0.931 + 9900TIP3 H236010 -3.689 0.192 0.851 + 9901TIP3 OH236011 -3.577 0.184 -0.487 + 9901TIP3 H136012 -3.579 0.197 -0.583 + 9901TIP3 H236013 -3.481 0.184 -0.469 + 9902TIP3 OH236014 -3.218 0.435 1.272 + 9902TIP3 H136015 -3.129 0.414 1.239 + 9902TIP3 H236016 -3.246 0.349 1.305 + 9903TIP3 OH236017 -3.688 -0.107 1.033 + 9903TIP3 H136018 -3.680 -0.174 0.962 + 9903TIP3 H236019 -3.704 -0.027 0.980 + 9904TIP3 OH236020 -3.658 -0.254 0.778 + 9904TIP3 H136021 -3.605 -0.217 0.706 + 9904TIP3 H236022 -3.747 -0.259 0.737 + 9905TIP3 OH236023 -3.494 0.289 0.819 + 9905TIP3 H136024 -3.417 0.275 0.761 + 9905TIP3 H236025 -3.532 0.371 0.783 + 9906TIP3 OH236026 -3.040 0.061 1.305 + 9906TIP3 H136027 -3.015 -0.030 1.285 + 9906TIP3 H236028 -2.954 0.105 1.300 + 9907TIP3 OH236029 -2.954 0.350 1.130 + 9907TIP3 H136030 -2.970 0.424 1.068 + 9907TIP3 H236031 -2.860 0.330 1.110 + 9908TIP3 OH236032 -3.878 0.080 1.210 + 9908TIP3 H136033 -3.928 -0.004 1.207 + 9908TIP3 H236034 -3.799 0.056 1.159 + 9909TIP3 OH236035 -3.578 -0.529 0.812 + 9909TIP3 H136036 -3.598 -0.435 0.790 + 9909TIP3 H236037 -3.640 -0.575 0.752 + 9910TIP3 OH236038 -3.454 -0.075 1.203 + 9910TIP3 H136039 -3.512 -0.089 1.280 + 9910TIP3 H236040 -3.520 -0.089 1.131 + 9911TIP3 OH236041 -3.184 -0.162 1.086 + 9911TIP3 H136042 -3.280 -0.166 1.096 + 9911TIP3 H236043 -3.155 -0.227 1.152 + 9912TIP3 OH236044 -3.079 -0.295 1.342 + 9912TIP3 H136045 -3.044 -0.374 1.294 + 9912TIP3 H236046 -3.007 -0.275 1.402 + 9913TIP3 OH236047 -4.004 -0.174 1.195 + 9913TIP3 H136048 -4.016 -0.243 1.127 + 9913TIP3 H236049 -4.033 -0.220 1.276 + 9914TIP3 OH236050 -3.590 -0.572 1.100 + 9914TIP3 H136051 -3.531 -0.650 1.098 + 9914TIP3 H236052 -3.599 -0.557 1.003 + 9915TIP3 OH236053 -3.480 -0.384 1.302 + 9915TIP3 H136054 -3.497 -0.442 1.224 + 9915TIP3 H236055 -3.554 -0.321 1.292 + 9916TIP3 OH236056 -3.601 1.327 -0.369 + 9916TIP3 H136057 -3.504 1.321 -0.369 + 9916TIP3 H236058 -3.619 1.347 -0.462 + 9917TIP3 OH236059 -4.184 0.807 -0.463 + 9917TIP3 H136060 -4.141 0.783 -0.379 + 9917TIP3 H236061 -4.219 0.720 -0.488 + 9918TIP3 OH236062 -4.281 1.086 0.249 + 9918TIP3 H136063 -4.274 0.992 0.274 + 9918TIP3 H236064 -4.242 1.128 0.326 + 9919TIP3 OH236065 -2.507 1.190 0.549 + 9919TIP3 H136066 -2.491 1.202 0.643 + 9919TIP3 H236067 -2.428 1.232 0.511 + 9920TIP3 OH236068 -2.542 1.135 0.840 + 9920TIP3 H136069 -2.574 1.055 0.797 + 9920TIP3 H236070 -2.474 1.096 0.899 + 9921TIP3 OH236071 -2.751 0.722 1.247 + 9921TIP3 H136072 -2.815 0.689 1.314 + 9921TIP3 H236073 -2.681 0.758 1.304 + 9922TIP3 OH236074 -2.539 0.601 0.537 + 9922TIP3 H136075 -2.468 0.575 0.478 + 9922TIP3 H236076 -2.549 0.695 0.512 + 9923TIP3 OH236077 -2.726 0.852 0.811 + 9923TIP3 H136078 -2.770 0.938 0.810 + 9923TIP3 H236079 -2.736 0.825 0.718 + 9924TIP3 OH236080 -2.677 0.070 -0.465 + 9924TIP3 H136081 -2.658 0.120 -0.545 + 9924TIP3 H236082 -2.687 -0.020 -0.500 + 9925TIP3 OH236083 -2.749 0.198 0.091 + 9925TIP3 H136084 -2.734 0.103 0.091 + 9925TIP3 H236085 -2.760 0.217 0.185 + 9926TIP3 OH236086 -4.256 0.437 0.519 + 9926TIP3 H136087 -4.226 0.458 0.430 + 9926TIP3 H236088 -4.176 0.394 0.556 + 9927TIP3 OH236089 -2.673 0.370 1.057 + 9927TIP3 H136090 -2.612 0.294 1.058 + 9927TIP3 H236091 -2.615 0.441 1.027 + 9928TIP3 OH236092 -2.513 0.153 1.163 + 9928TIP3 H136093 -2.573 0.098 1.111 + 9928TIP3 H236094 -2.424 0.118 1.143 + 9929TIP3 OH236095 -2.724 -0.200 -0.536 + 9929TIP3 H136096 -2.690 -0.271 -0.481 + 9929TIP3 H236097 -2.803 -0.241 -0.575 + 9930TIP3 OH236098 -2.757 -0.071 -0.073 + 9930TIP3 H136099 -2.738 -0.165 -0.088 + 9930TIP3 H236100 -2.683 -0.025 -0.115 + 9931TIP3 OH236101 -2.680 0.067 0.746 + 9931TIP3 H136102 -2.772 0.086 0.771 + 9931TIP3 H236103 -2.645 0.153 0.720 + 9932TIP3 OH236104 -4.282 -0.067 1.148 + 9932TIP3 H136105 -4.201 -0.105 1.112 + 9932TIP3 H236106 -4.345 -0.141 1.144 + 9933TIP3 OH236107 -4.194 -0.215 0.444 + 9933TIP3 H136108 -4.159 -0.305 0.439 + 9933TIP3 H236109 -4.113 -0.162 0.457 + 9934TIP3 OH236110 -4.335 0.049 0.526 + 9934TIP3 H136111 -4.295 -0.009 0.460 + 9934TIP3 H236112 -4.309 0.136 0.494 + 9935TIP3 OH236113 -2.539 -0.312 1.121 + 9935TIP3 H136114 -2.628 -0.277 1.117 + 9935TIP3 H236115 -2.527 -0.350 1.033 + 9936TIP3 OH236116 -4.314 -0.343 -0.124 + 9936TIP3 H136117 -4.399 -0.311 -0.159 + 9936TIP3 H236118 -4.255 -0.271 -0.154 + 9937TIP3 OH236119 -2.827 1.210 0.128 + 9937TIP3 H136120 -2.779 1.178 0.050 + 9937TIP3 H236121 -2.753 1.243 0.182 + 9938TIP3 OH236122 -4.292 -0.442 0.716 + 9938TIP3 H136123 -4.363 -0.451 0.785 + 9938TIP3 H236124 -4.336 -0.399 0.641 + 9939TIP3 OH236125 -4.120 0.910 1.183 + 9939TIP3 H136126 -4.165 0.845 1.128 + 9939TIP3 H236127 -4.136 0.874 1.273 + 9940TIP3 OH236128 -3.802 0.977 0.777 + 9940TIP3 H136129 -3.833 1.059 0.735 + 9940TIP3 H236130 -3.707 0.983 0.756 + 9941TIP3 OH236131 -3.351 1.103 1.073 + 9941TIP3 H136132 -3.339 1.089 1.168 + 9941TIP3 H236133 -3.269 1.150 1.049 + 9942TIP3 OH236134 -3.123 1.249 0.997 + 9942TIP3 H136135 -3.055 1.185 0.973 + 9942TIP3 H236136 -3.091 1.280 1.084 + 9943TIP3 OH236137 -4.068 1.282 0.798 + 9943TIP3 H136138 -4.137 1.329 0.748 + 9943TIP3 H236139 -4.103 1.286 0.887 + 9944TIP3 OH236140 -3.816 1.248 0.664 + 9944TIP3 H136141 -3.904 1.264 0.703 + 9944TIP3 H236142 -3.816 1.312 0.590 + 9945TIP3 OH236143 -3.340 1.245 0.616 + 9945TIP3 H136144 -3.381 1.289 0.539 + 9945TIP3 H236145 -3.333 1.320 0.679 + 9946TIP3 OH236146 -3.108 1.116 0.711 + 9946TIP3 H136147 -3.192 1.151 0.676 + 9946TIP3 H236148 -3.051 1.195 0.706 + 9947TIP3 OH236149 -2.857 1.291 0.728 + 9947TIP3 H136150 -2.859 1.385 0.704 + 9947TIP3 H236151 -2.826 1.251 0.645 + 9948TIP3 OH236152 -4.123 1.156 0.496 + 9948TIP3 H136153 -4.132 1.108 0.581 + 9948TIP3 H236154 -4.050 1.106 0.454 + 9949TIP3 OH236155 -3.912 1.031 0.352 + 9949TIP3 H136156 -3.927 0.936 0.369 + 9949TIP3 H236157 -3.819 1.041 0.378 + 9950TIP3 OH236158 -3.625 1.072 0.431 + 9950TIP3 H136159 -3.612 0.979 0.405 + 9950TIP3 H236160 -3.625 1.064 0.527 + 9951TIP3 OH236161 -3.324 -0.364 0.354 + 9951TIP3 H136162 -3.381 -0.437 0.383 + 9951TIP3 H236163 -3.250 -0.412 0.313 + 9952TIP3 OH236164 -4.108 -0.484 0.116 + 9952TIP3 H136165 -4.179 -0.516 0.058 + 9952TIP3 H236166 -4.042 -0.555 0.106 + 9953TIP3 OH236167 -4.183 -0.522 -0.306 + 9953TIP3 H136168 -4.129 -0.456 -0.353 + 9953TIP3 H236169 -4.232 -0.466 -0.243 + 9954TIP3 OH236170 -3.624 -0.449 0.091 + 9954TIP3 H136171 -3.527 -0.452 0.083 + 9954TIP3 H236172 -3.635 -0.504 0.171 + 9955TIP3 OH236173 -3.051 -0.494 0.260 + 9955TIP3 H136174 -3.035 -0.514 0.168 + 9955TIP3 H236175 -3.052 -0.585 0.296 + 9956TIP3 OH236176 -2.908 -0.465 -0.152 + 9956TIP3 H136177 -2.995 -0.424 -0.164 + 9956TIP3 H236178 -2.932 -0.553 -0.118 + 9957TIP3 OH236179 -4.184 1.085 -0.210 + 9957TIP3 H136180 -4.254 1.063 -0.272 + 9957TIP3 H236181 -4.188 1.181 -0.205 + 9958TIP3 OH236182 -4.006 -0.336 -0.448 + 9958TIP3 H136183 -3.947 -0.391 -0.501 + 9958TIP3 H236184 -3.944 -0.304 -0.379 + 9959TIP3 OH236185 -3.496 -0.321 -0.195 + 9959TIP3 H136186 -3.470 -0.383 -0.125 + 9959TIP3 H236187 -3.479 -0.237 -0.149 + 9960TIP3 OH236188 -3.285 1.264 -0.370 + 9960TIP3 H136189 -3.189 1.250 -0.376 + 9960TIP3 H236190 -3.316 1.193 -0.428 + 9961TIP3 OH236191 -2.645 1.158 -0.116 + 9961TIP3 H136192 -2.666 1.071 -0.155 + 9961TIP3 H236193 -2.634 1.213 -0.195 + 9962TIP3 OH236194 -4.080 -0.443 1.071 + 9962TIP3 H136195 -4.123 -0.521 1.109 + 9962TIP3 H236196 -3.987 -0.459 1.094 + 9963TIP3 OH236197 -3.839 -0.504 1.252 + 9963TIP3 H136198 -3.759 -0.536 1.206 + 9963TIP3 H236199 -3.877 -0.587 1.286 + 9964TIP3 OH236200 -4.007 1.183 -0.498 + 9964TIP3 H136201 -4.044 1.191 -0.408 + 9964TIP3 H236202 -3.941 1.113 -0.486 + 9965TIP3 OH236203 -3.013 -0.562 1.268 + 9965TIP3 H136204 -3.008 -0.629 1.339 + 9965TIP3 H236205 -2.925 -0.574 1.225 + 9966TIP3 OH236206 -2.707 1.032 1.125 + 9966TIP3 H136207 -2.778 1.044 1.060 + 9966TIP3 H236208 -2.699 1.124 1.158 + 9967TIP3 OH236209 -1.963 0.965 1.033 + 9967TIP3 H136210 -1.948 0.906 0.958 + 9967TIP3 H236211 -2.033 0.918 1.082 + 9968TIP3 OH236212 -2.397 0.567 0.793 + 9968TIP3 H136213 -2.440 0.563 0.706 + 9968TIP3 H236214 -2.356 0.480 0.801 + 9969TIP3 OH236215 -2.413 0.869 0.491 + 9969TIP3 H136216 -2.322 0.846 0.471 + 9969TIP3 H236217 -2.402 0.941 0.555 + 9970TIP3 OH236218 -2.245 0.961 0.731 + 9970TIP3 H136219 -2.203 0.875 0.739 + 9970TIP3 H236220 -2.207 1.010 0.805 + 9971TIP3 OH236221 -2.317 1.175 1.148 + 9971TIP3 H136222 -2.252 1.146 1.215 + 9971TIP3 H236223 -2.341 1.087 1.112 + 9972TIP3 OH236224 -1.885 1.100 1.311 + 9972TIP3 H136225 -1.814 1.056 1.360 + 9972TIP3 H236226 -1.892 1.048 1.230 + 9973TIP3 OH236227 -2.330 0.522 1.250 + 9973TIP3 H136228 -2.274 0.451 1.213 + 9973TIP3 H236229 -2.374 0.553 1.171 + 9974TIP3 OH236230 -2.436 1.273 0.068 + 9974TIP3 H136231 -2.494 1.232 0.002 + 9974TIP3 H236232 -2.412 1.196 0.123 + 9975TIP3 OH236233 -2.383 1.065 0.241 + 9975TIP3 H136234 -2.404 0.973 0.262 + 9975TIP3 H236235 -2.340 1.095 0.322 + 9976TIP3 OH236236 -2.201 0.900 1.174 + 9976TIP3 H136237 -2.283 0.875 1.128 + 9976TIP3 H236238 -2.195 0.835 1.246 + 9977TIP3 OH236239 -2.166 1.259 0.780 + 9977TIP3 H136240 -2.216 1.333 0.743 + 9977TIP3 H236241 -2.177 1.273 0.874 + 9978TIP3 OH236242 -2.196 1.132 0.486 + 9978TIP3 H136243 -2.201 1.104 0.580 + 9978TIP3 H236244 -2.116 1.086 0.457 + 9979TIP3 OH236245 1.218 -0.073 0.814 + 9979TIP3 H136246 1.133 -0.028 0.804 + 9979TIP3 H236247 1.219 -0.100 0.905 + 9980TIP3 OH236248 1.053 0.388 1.071 + 9980TIP3 H136249 1.115 0.318 1.084 + 9980TIP3 H236250 1.102 0.467 1.093 + 9981TIP3 OH236251 1.283 0.107 1.082 + 9981TIP3 H136252 1.190 0.122 1.103 + 9981TIP3 H236253 1.312 0.055 1.157 + 9982TIP3 OH236254 -0.225 1.197 -0.545 + 9982TIP3 H136255 -0.273 1.210 -0.464 + 9982TIP3 H236256 -0.165 1.125 -0.525 + 9983TIP3 OH236257 2.810 0.810 0.535 + 9983TIP3 H136258 2.717 0.832 0.526 + 9983TIP3 H236259 2.849 0.887 0.490 + 9984TIP3 OH236260 2.935 0.643 0.865 + 9984TIP3 H136261 2.944 0.591 0.784 + 9984TIP3 H236262 2.950 0.734 0.831 + 9985TIP3 OH236263 1.972 0.314 0.530 + 9985TIP3 H136264 1.946 0.317 0.437 + 9985TIP3 H236265 1.914 0.377 0.572 + 9986TIP3 OH236266 3.214 0.932 1.054 + 9986TIP3 H136267 3.205 0.838 1.031 + 9986TIP3 H236268 3.122 0.954 1.079 + 9987TIP3 OH236269 1.631 0.106 0.785 + 9987TIP3 H136270 1.633 0.131 0.876 + 9987TIP3 H236271 1.596 0.016 0.782 + 9988TIP3 OH236272 2.027 -0.161 -0.484 + 9988TIP3 H136273 1.999 -0.248 -0.460 + 9988TIP3 H236274 1.972 -0.140 -0.561 + 9989TIP3 OH236275 1.616 -0.064 0.104 + 9989TIP3 H136276 1.532 -0.034 0.068 + 9989TIP3 H236277 1.641 -0.133 0.044 + 9990TIP3 OH236278 2.910 1.311 1.181 + 9990TIP3 H136279 2.927 1.360 1.099 + 9990TIP3 H236280 2.978 1.347 1.240 + 9991TIP3 OH236281 3.163 0.630 1.044 + 9991TIP3 H136282 3.071 0.651 1.020 + 9991TIP3 H236283 3.201 0.613 0.955 + 9992TIP3 OH236284 2.946 0.881 -0.225 + 9992TIP3 H136285 2.928 0.798 -0.179 + 9992TIP3 H236286 2.997 0.853 -0.301 + 9993TIP3 OH236287 2.756 1.044 0.901 + 9993TIP3 H136288 2.673 1.021 0.856 + 9993TIP3 H236289 2.773 1.133 0.865 + 9994TIP3 OH236290 3.153 1.129 -0.378 + 9994TIP3 H136291 3.216 1.190 -0.418 + 9994TIP3 H236292 3.069 1.174 -0.392 + 9995TIP3 OH236293 2.872 1.085 0.509 + 9995TIP3 H136294 2.848 1.160 0.451 + 9995TIP3 H236295 2.966 1.106 0.524 + 9996TIP3 OH236296 2.602 0.896 1.206 + 9996TIP3 H136297 2.564 0.811 1.227 + 9996TIP3 H236298 2.661 0.912 1.282 + 9997TIP3 OH236299 2.618 0.554 0.900 + 9997TIP3 H136300 2.708 0.588 0.892 + 9997TIP3 H236301 2.569 0.627 0.939 + 9998TIP3 OH236302 2.710 0.363 1.108 + 9998TIP3 H136303 2.661 0.410 1.038 + 9998TIP3 H236304 2.799 0.358 1.069 + 9999TIP3 OH236305 3.144 1.198 0.552 + 9999TIP3 H136306 3.158 1.197 0.647 + 9999TIP3 H236307 3.230 1.226 0.519 + 1000TIP3 OH236308 3.129 1.142 0.839 + 1000TIP3 H136309 3.078 1.067 0.803 + 1000TIP3 H236310 3.186 1.095 0.902 + 1000TIP3 OH236311 2.930 0.684 1.271 + 1000TIP3 H136312 2.842 0.696 1.309 + 1000TIP3 H236313 2.976 0.766 1.298 + 1000TIP3 OH236314 3.108 0.612 0.554 + 1000TIP3 H136315 3.171 0.579 0.489 + 1000TIP3 H236316 3.091 0.701 0.521 + 1000TIP3 OH236317 2.957 0.904 0.766 + 1000TIP3 H136318 2.884 0.950 0.813 + 1000TIP3 H236319 2.914 0.880 0.682 + 1000TIP3 OH236320 2.977 0.380 1.044 + 1000TIP3 H136321 3.058 0.328 1.031 + 1000TIP3 H236322 3.007 0.467 1.012 + 1000TIP3 OH236323 3.175 0.211 1.134 + 1000TIP3 H136324 3.086 0.179 1.148 + 1000TIP3 H236325 3.228 0.128 1.138 + 1000TIP3 OH236326 3.188 -0.516 1.293 + 1000TIP3 H136327 3.206 -0.594 1.237 + 1000TIP3 H236328 3.186 -0.447 1.225 + 1000TIP3 OH236329 1.322 0.090 0.474 + 1000TIP3 H136330 1.343 0.013 0.419 + 1000TIP3 H236331 1.393 0.088 0.538 + 1000TIP3 OH236332 3.136 -0.327 1.078 + 1000TIP3 H136333 3.044 -0.322 1.106 + 1000TIP3 H236334 3.131 -0.405 1.019 + 1000TIP3 OH236335 2.812 1.172 0.119 + 1000TIP3 H136336 2.872 1.142 0.050 + 1000TIP3 H236337 2.867 1.224 0.177 + 1001TIP3 OH236338 2.496 1.224 0.995 + 1001TIP3 H136339 2.562 1.156 0.976 + 1001TIP3 H236340 2.521 1.252 1.084 + 1001TIP3 OH236341 1.564 1.273 0.786 + 1001TIP3 H136342 1.481 1.315 0.759 + 1001TIP3 H236343 1.555 1.278 0.883 + 1001TIP3 OH236344 1.856 1.239 0.690 + 1001TIP3 H136345 1.763 1.223 0.716 + 1001TIP3 H236346 1.848 1.267 0.598 + 1001TIP3 OH236347 2.328 1.242 0.601 + 1001TIP3 H136348 2.291 1.297 0.531 + 1001TIP3 H236349 2.319 1.301 0.678 + 1001TIP3 OH236350 2.546 1.089 0.705 + 1001TIP3 H136351 2.462 1.120 0.666 + 1001TIP3 H236352 2.600 1.168 0.689 + 1001TIP3 OH236353 2.801 1.286 0.731 + 1001TIP3 H136354 2.787 1.379 0.706 + 1001TIP3 H236355 2.826 1.249 0.644 + 1001TIP3 OH236356 3.011 1.161 -0.105 + 1001TIP3 H136357 2.994 1.073 -0.145 + 1001TIP3 H236358 3.013 1.217 -0.184 + 1001TIP3 OH236359 2.955 1.034 1.130 + 1001TIP3 H136360 2.880 1.015 1.072 + 1001TIP3 H236361 2.941 1.129 1.148 + 1001TIP3 OH236362 4.212 0.315 0.456 + 1001TIP3 H136363 4.291 0.341 0.508 + 1001TIP3 H236364 4.248 0.311 0.367 + 1001TIP3 OH236365 3.495 0.327 0.613 + 1001TIP3 H136366 3.492 0.244 0.662 + 1001TIP3 H236367 3.578 0.366 0.640 + 1002TIP3 OH236368 3.579 0.763 0.467 + 1002TIP3 H136369 3.554 0.675 0.433 + 1002TIP3 H236370 3.673 0.748 0.485 + 1002TIP3 OH236371 4.120 0.600 0.520 + 1002TIP3 H136372 4.145 0.527 0.461 + 1002TIP3 H236373 4.205 0.621 0.560 + 1002TIP3 OH236374 3.740 -0.175 0.273 + 1002TIP3 H136375 3.761 -0.090 0.230 + 1002TIP3 H236376 3.708 -0.226 0.196 + 1002TIP3 OH236377 3.385 0.126 0.324 + 1002TIP3 H136378 3.408 0.071 0.399 + 1002TIP3 H236379 3.379 0.064 0.251 + 1002TIP3 OH236380 3.944 0.241 0.268 + 1002TIP3 H136381 4.023 0.195 0.303 + 1002TIP3 H236382 3.903 0.168 0.218 + 1002TIP3 OH236383 3.625 -0.280 0.681 + 1002TIP3 H136384 3.582 -0.235 0.605 + 1002TIP3 H236385 3.559 -0.266 0.750 + 1002TIP3 OH236386 3.917 0.495 0.699 + 1002TIP3 H136387 3.844 0.556 0.722 + 1002TIP3 H236388 3.981 0.555 0.657 + 1002TIP3 OH236389 3.560 -0.094 0.481 + 1002TIP3 H136390 3.623 -0.029 0.515 + 1002TIP3 H236391 3.609 -0.128 0.403 + 1002TIP3 OH236392 3.717 0.689 0.769 + 1002TIP3 H136393 3.712 0.780 0.735 + 1002TIP3 H236394 3.629 0.681 0.810 + 1002TIP3 OH236395 4.036 -0.539 0.398 + 1002TIP3 H136396 4.012 -0.634 0.397 + 1002TIP3 H236397 3.953 -0.500 0.432 + 1003TIP3 OH236398 4.265 0.340 -0.143 + 1003TIP3 H136399 4.200 0.412 -0.159 + 1003TIP3 H236400 4.341 0.373 -0.192 + 1003TIP3 OH236401 4.290 0.192 -0.425 + 1003TIP3 H136402 4.367 0.195 -0.366 + 1003TIP3 H236403 4.303 0.112 -0.476 + 1003TIP3 OH236404 3.782 0.449 0.154 + 1003TIP3 H136405 3.744 0.409 0.075 + 1003TIP3 H236406 3.840 0.379 0.189 + 1003TIP3 OH236407 3.896 0.769 0.432 + 1003TIP3 H136408 3.888 0.734 0.342 + 1003TIP3 H236409 3.977 0.725 0.464 + 1003TIP3 OH236410 3.803 0.317 0.506 + 1003TIP3 H136411 3.864 0.312 0.430 + 1003TIP3 H236412 3.850 0.379 0.566 + 1003TIP3 OH236413 3.904 0.751 0.987 + 1003TIP3 H136414 3.849 0.816 1.034 + 1003TIP3 H236415 3.842 0.721 0.918 + 1003TIP3 OH236416 3.601 0.384 0.899 + 1003TIP3 H136417 3.596 0.438 0.979 + 1003TIP3 H236418 3.507 0.374 0.876 + 1003TIP3 OH236419 4.240 0.957 0.082 + 1003TIP3 H136420 4.299 1.006 0.141 + 1003TIP3 H236421 4.198 1.028 0.032 + 1003TIP3 OH236422 3.711 0.968 1.070 + 1003TIP3 H136423 3.702 0.970 0.973 + 1003TIP3 H236424 3.623 0.937 1.100 + 1003TIP3 OH236425 3.261 0.579 0.788 + 1003TIP3 H136426 3.211 0.583 0.704 + 1003TIP3 H236427 3.279 0.482 0.794 + 1004TIP3 OH236428 3.257 0.865 0.473 + 1004TIP3 H136429 3.349 0.835 0.475 + 1004TIP3 H236430 3.254 0.926 0.548 + 1004TIP3 OH236431 4.175 0.849 0.942 + 1004TIP3 H136432 4.178 0.940 0.974 + 1004TIP3 H236433 4.082 0.822 0.958 + 1004TIP3 OH236434 4.172 1.241 -0.075 + 1004TIP3 H136435 4.206 1.232 -0.165 + 1004TIP3 H236436 4.214 1.321 -0.041 + 1004TIP3 OH236437 3.562 1.143 0.092 + 1004TIP3 H136438 3.581 1.094 0.175 + 1004TIP3 H236439 3.487 1.090 0.059 + 1004TIP3 OH236440 3.471 0.735 0.911 + 1004TIP3 H136441 3.504 0.683 0.987 + 1004TIP3 H236442 3.403 0.677 0.872 + 1004TIP3 OH236443 3.774 -0.438 0.474 + 1004TIP3 H136444 3.684 -0.445 0.436 + 1004TIP3 H236445 3.764 -0.356 0.524 + 1004TIP3 OH236446 4.231 -0.486 0.910 + 1004TIP3 H136447 4.246 -0.560 0.970 + 1004TIP3 H236448 4.141 -0.506 0.877 + 1004TIP3 OH236449 4.233 -0.208 -0.417 + 1004TIP3 H136450 4.168 -0.226 -0.347 + 1004TIP3 H236451 4.204 -0.271 -0.484 + 1004TIP3 OH236452 3.769 0.051 0.620 + 1004TIP3 H136453 3.704 0.061 0.692 + 1004TIP3 H236454 3.774 0.141 0.583 + 1004TIP3 OH236455 3.784 0.044 0.101 + 1004TIP3 H136456 3.689 0.034 0.086 + 1004TIP3 H236457 3.819 0.021 0.012 + 1005TIP3 OH236458 4.280 0.097 0.025 + 1005TIP3 H136459 4.264 0.192 0.012 + 1005TIP3 H236460 4.319 0.073 -0.059 + 1005TIP3 OH236461 4.252 0.146 1.147 + 1005TIP3 H136462 4.194 0.068 1.158 + 1005TIP3 H236463 4.338 0.100 1.148 + 1005TIP3 OH236464 3.518 0.075 0.800 + 1005TIP3 H136465 3.547 0.105 0.887 + 1005TIP3 H236466 3.486 -0.015 0.818 + 1005TIP3 OH236467 3.860 -0.162 -0.532 + 1005TIP3 H136468 3.817 -0.206 -0.456 + 1005TIP3 H236469 3.786 -0.151 -0.594 + 1005TIP3 OH236470 3.368 -0.112 -0.237 + 1005TIP3 H136471 3.395 -0.091 -0.327 + 1005TIP3 H236472 3.274 -0.096 -0.240 + 1005TIP3 OH236473 4.352 0.197 0.752 + 1005TIP3 H136474 4.379 0.135 0.681 + 1005TIP3 H236475 4.271 0.153 0.783 + 1005TIP3 OH236476 4.046 -0.201 0.216 + 1005TIP3 H136477 3.953 -0.191 0.242 + 1005TIP3 H236478 4.090 -0.174 0.298 + 1005TIP3 OH236479 3.489 -0.047 0.073 + 1005TIP3 H136480 3.415 -0.034 0.012 + 1005TIP3 H236481 3.524 -0.133 0.042 + 1005TIP3 OH236482 3.871 -0.020 -0.156 + 1005TIP3 H136483 3.968 -0.015 -0.150 + 1005TIP3 H236484 3.849 0.037 -0.231 + 1005TIP3 OH236485 3.715 0.105 -0.374 + 1005TIP3 H136486 3.657 0.077 -0.447 + 1005TIP3 H236487 3.797 0.121 -0.423 + 1006TIP3 OH236488 3.582 0.580 1.125 + 1006TIP3 H136489 3.651 0.586 1.194 + 1006TIP3 H236490 3.502 0.576 1.181 + 1006TIP3 OH236491 4.138 0.036 0.354 + 1006TIP3 H136492 4.219 0.009 0.309 + 1006TIP3 H236493 4.164 0.031 0.447 + 1006TIP3 OH236494 3.666 -0.288 0.028 + 1006TIP3 H136495 3.612 -0.369 0.029 + 1006TIP3 H236496 3.741 -0.314 -0.027 + 1006TIP3 OH236497 4.047 -0.089 0.626 + 1006TIP3 H136498 3.977 -0.024 0.610 + 1006TIP3 H236499 4.098 -0.046 0.698 + 1006TIP3 OH236500 4.072 0.544 -0.188 + 1006TIP3 H136501 3.989 0.501 -0.219 + 1006TIP3 H236502 4.054 0.561 -0.093 + 1006TIP3 OH236503 4.203 0.547 0.939 + 1006TIP3 H136504 4.185 0.538 1.032 + 1006TIP3 H236505 4.214 0.643 0.926 + 1006TIP3 OH236506 3.565 0.499 0.366 + 1006TIP3 H136507 3.645 0.481 0.314 + 1006TIP3 H236508 3.552 0.417 0.416 + 1006TIP3 OH236509 4.295 0.687 -0.300 + 1006TIP3 H136510 4.298 0.765 -0.243 + 1006TIP3 H236511 4.228 0.634 -0.255 + 1006TIP3 OH236512 3.289 0.324 0.890 + 1006TIP3 H136513 3.307 0.286 0.978 + 1006TIP3 H236514 3.241 0.252 0.846 + 1006TIP3 OH236515 4.001 0.278 1.120 + 1006TIP3 H136516 3.966 0.249 1.034 + 1006TIP3 H236517 4.095 0.253 1.110 + 1007TIP3 OH236518 3.811 0.831 0.123 + 1007TIP3 H136519 3.856 0.915 0.106 + 1007TIP3 H236520 3.722 0.849 0.091 + 1007TIP3 OH236521 4.013 0.609 0.077 + 1007TIP3 H136522 3.986 0.701 0.093 + 1007TIP3 H236523 3.943 0.560 0.122 + 1007TIP3 OH236524 4.019 1.029 0.722 + 1007TIP3 H136525 4.077 1.099 0.686 + 1007TIP3 H236526 4.085 0.974 0.767 + 1007TIP3 OH236527 3.858 1.118 0.041 + 1007TIP3 H136528 3.762 1.134 0.048 + 1007TIP3 H236529 3.895 1.206 0.063 + 1007TIP3 OH236530 3.426 -0.203 0.881 + 1007TIP3 H136531 3.335 -0.187 0.851 + 1007TIP3 H236532 3.419 -0.289 0.926 + 1007TIP3 OH236533 3.411 0.969 0.721 + 1007TIP3 H136534 3.441 0.878 0.734 + 1007TIP3 H236535 3.437 1.008 0.806 + 1007TIP3 OH236536 3.990 0.836 -0.581 + 1007TIP3 H136537 4.029 0.759 -0.625 + 1007TIP3 H236538 3.957 0.796 -0.498 + 1007TIP3 OH236539 3.883 0.781 -0.308 + 1007TIP3 H136540 3.933 0.730 -0.243 + 1007TIP3 H236541 3.895 0.873 -0.277 + 1007TIP3 OH236542 4.337 -0.177 0.789 + 1007TIP3 H136543 4.377 -0.256 0.827 + 1007TIP3 H236544 4.278 -0.215 0.722 + 1007TIP3 OH236545 4.168 0.955 -0.243 + 1007TIP3 H136546 4.085 1.003 -0.232 + 1007TIP3 H236547 4.210 1.001 -0.316 + 1008TIP3 OH236548 4.120 -0.105 -0.045 + 1008TIP3 H136549 4.184 -0.036 -0.018 + 1008TIP3 H236550 4.086 -0.127 0.045 + 1008TIP3 OH236551 4.160 0.004 0.879 + 1008TIP3 H136552 4.188 0.061 0.952 + 1008TIP3 H236553 4.234 -0.059 0.870 + 1008TIP3 OH236554 4.192 -0.385 0.072 + 1008TIP3 H136555 4.165 -0.308 0.127 + 1008TIP3 H236556 4.273 -0.352 0.030 + 1008TIP3 OH236557 3.893 1.055 -0.245 + 1008TIP3 H136558 3.890 1.138 -0.297 + 1008TIP3 H236559 3.882 1.087 -0.154 + 1008TIP3 OH236560 3.767 -0.279 -0.294 + 1008TIP3 H136561 3.770 -0.198 -0.241 + 1008TIP3 H236562 3.850 -0.324 -0.269 + 1008TIP3 OH236563 3.600 0.819 -0.398 + 1008TIP3 H136564 3.672 0.851 -0.343 + 1008TIP3 H236565 3.636 0.734 -0.426 + 1008TIP3 OH236566 3.491 -0.490 0.420 + 1008TIP3 H136567 3.465 -0.468 0.330 + 1008TIP3 H236568 3.450 -0.576 0.433 + 1008TIP3 OH236569 3.417 0.883 0.033 + 1008TIP3 H136570 3.322 0.895 0.033 + 1008TIP3 H236571 3.441 0.910 -0.057 + 1008TIP3 OH236572 3.346 1.173 1.142 + 1008TIP3 H136573 3.403 1.145 1.216 + 1008TIP3 H236574 3.307 1.089 1.113 + 1008TIP3 OH236575 3.814 1.077 1.324 + 1008TIP3 H136576 3.883 1.011 1.340 + 1008TIP3 H236577 3.789 1.055 1.232 + 1009TIP3 OH236578 4.230 1.005 -0.547 + 1009TIP3 H136579 4.149 0.949 -0.545 + 1009TIP3 H236580 4.296 0.934 -0.558 + 1009TIP3 OH236581 3.335 0.535 1.255 + 1009TIP3 H136582 3.351 0.448 1.214 + 1009TIP3 H236583 3.263 0.568 1.199 + 1009TIP3 OH236584 3.748 0.565 -0.564 + 1009TIP3 H136585 3.765 0.517 -0.481 + 1009TIP3 H236586 3.839 0.572 -0.598 + 1009TIP3 OH236587 4.005 0.557 1.188 + 1009TIP3 H136588 3.980 0.589 1.100 + 1009TIP3 H236589 4.014 0.460 1.173 + 1009TIP3 OH236590 4.262 0.715 -0.581 + 1009TIP3 H136591 4.280 0.721 -0.484 + 1009TIP3 H236592 4.250 0.619 -0.590 + 1009TIP3 OH236593 3.453 0.268 1.157 + 1009TIP3 H136594 3.519 0.198 1.160 + 1009TIP3 H236595 3.431 0.277 1.251 + 1009TIP3 OH236596 3.855 0.388 -0.301 + 1009TIP3 H136597 3.798 0.328 -0.252 + 1009TIP3 H236598 3.892 0.327 -0.368 + 1009TIP3 OH236599 3.798 0.166 0.916 + 1009TIP3 H136600 3.741 0.243 0.929 + 1009TIP3 H236601 3.853 0.196 0.842 + 1009TIP3 OH236602 3.977 0.191 -0.477 + 1009TIP3 H136603 3.968 0.193 -0.573 + 1009TIP3 H236604 4.073 0.201 -0.467 + 1009TIP3 OH236605 4.285 0.412 1.289 + 1009TIP3 H136606 4.349 0.381 1.224 + 1009TIP3 H236607 4.267 0.329 1.336 + 1010TIP3 OH236608 3.855 -0.105 1.031 + 1010TIP3 H136609 3.862 -0.172 0.960 + 1010TIP3 H236610 3.841 -0.025 0.979 + 1010TIP3 OH236611 3.886 -0.262 0.774 + 1010TIP3 H136612 3.937 -0.205 0.712 + 1010TIP3 H236613 3.796 -0.259 0.736 + 1010TIP3 OH236614 4.067 0.278 0.806 + 1010TIP3 H136615 4.136 0.278 0.738 + 1010TIP3 H236616 4.029 0.366 0.792 + 1010TIP3 OH236617 3.681 0.073 1.212 + 1010TIP3 H136618 3.625 -0.006 1.207 + 1010TIP3 H236619 3.759 0.045 1.161 + 1010TIP3 OH236620 3.969 -0.525 0.811 + 1010TIP3 H136621 3.947 -0.431 0.792 + 1010TIP3 H236622 3.902 -0.571 0.756 + 1010TIP3 OH236623 4.102 -0.079 1.186 + 1010TIP3 H136624 4.062 -0.104 1.270 + 1010TIP3 H236625 4.030 -0.100 1.123 + 1010TIP3 OH236626 3.542 -0.180 1.191 + 1010TIP3 H136627 3.535 -0.253 1.127 + 1010TIP3 H236628 3.520 -0.226 1.274 + 1010TIP3 OH236629 3.945 -0.578 1.093 + 1010TIP3 H136630 4.007 -0.652 1.095 + 1010TIP3 H236631 3.940 -0.562 0.996 + 1010TIP3 OH236632 4.034 -0.399 1.288 + 1010TIP3 H136633 4.010 -0.453 1.211 + 1010TIP3 H236634 3.972 -0.324 1.281 + 1010TIP3 OH236635 3.954 1.312 -0.373 + 1010TIP3 H136636 4.050 1.314 -0.363 + 1010TIP3 H236637 3.945 1.358 -0.458 + 1011TIP3 OH236638 3.316 0.756 -0.500 + 1011TIP3 H136639 3.379 0.789 -0.433 + 1011TIP3 H236640 3.306 0.665 -0.472 + 1011TIP3 OH236641 3.229 1.278 0.050 + 1011TIP3 H136642 3.157 1.237 -0.001 + 1011TIP3 H236643 3.248 1.207 0.114 + 1011TIP3 OH236644 3.273 1.075 0.248 + 1011TIP3 H136645 3.247 0.984 0.270 + 1011TIP3 H236646 3.308 1.104 0.333 + 1011TIP3 OH236647 3.281 -0.054 1.138 + 1011TIP3 H136648 3.375 -0.080 1.135 + 1011TIP3 H236649 3.239 -0.138 1.112 + 1011TIP3 OH236650 3.456 0.873 1.208 + 1011TIP3 H136651 3.387 0.871 1.140 + 1011TIP3 H236652 3.404 0.876 1.289 + 1011TIP3 OH236653 3.740 0.976 0.774 + 1011TIP3 H136654 3.710 1.060 0.735 + 1011TIP3 H236655 3.836 0.982 0.755 + 1011TIP3 OH236656 4.218 1.138 1.062 + 1011TIP3 H136657 4.205 1.099 1.149 + 1011TIP3 H236658 4.314 1.158 1.066 + 1011TIP3 OH236659 3.478 1.270 0.806 + 1011TIP3 H136660 3.418 1.331 0.760 + 1011TIP3 H236661 3.441 1.272 0.895 + 1011TIP3 OH236662 3.729 1.247 0.664 + 1011TIP3 H136663 3.643 1.266 0.706 + 1011TIP3 H236664 3.732 1.315 0.594 + 1011TIP3 OH236665 4.195 1.224 0.619 + 1011TIP3 H136666 4.179 1.269 0.535 + 1011TIP3 H236667 4.258 1.282 0.663 + 1012TIP3 OH236668 3.436 1.149 0.501 + 1012TIP3 H136669 3.434 1.098 0.585 + 1012TIP3 H236670 3.510 1.104 0.454 + 1012TIP3 OH236671 3.635 1.023 0.348 + 1012TIP3 H136672 3.622 0.928 0.367 + 1012TIP3 H236673 3.728 1.037 0.375 + 1012TIP3 OH236674 3.911 1.073 0.432 + 1012TIP3 H136675 3.936 0.982 0.406 + 1012TIP3 H236676 3.921 1.067 0.528 + 1012TIP3 OH236677 4.264 -0.379 0.373 + 1012TIP3 H136678 4.178 -0.424 0.376 + 1012TIP3 H236679 4.298 -0.407 0.287 + 1012TIP3 OH236680 3.479 -0.515 0.093 + 1012TIP3 H136681 3.387 -0.531 0.067 + 1012TIP3 H236682 3.504 -0.598 0.134 + 1012TIP3 OH236683 3.367 -0.517 -0.281 + 1012TIP3 H136684 3.408 -0.453 -0.343 + 1012TIP3 H236685 3.294 -0.465 -0.246 + 1012TIP3 OH236686 3.931 -0.495 0.108 + 1012TIP3 H136687 4.022 -0.461 0.097 + 1012TIP3 H236688 3.927 -0.498 0.204 + 1012TIP3 OH236689 3.376 1.077 -0.188 + 1012TIP3 H136690 3.305 1.058 -0.251 + 1012TIP3 H236691 3.369 1.173 -0.181 + 1012TIP3 OH236692 3.526 -0.345 -0.440 + 1012TIP3 H136693 3.585 -0.383 -0.506 + 1012TIP3 H236694 3.590 -0.308 -0.376 + 1012TIP3 OH236695 4.062 -0.323 -0.196 + 1012TIP3 H136696 4.065 -0.385 -0.122 + 1012TIP3 H236697 4.063 -0.237 -0.149 + 1013TIP3 OH236698 4.263 1.240 -0.370 + 1013TIP3 H136699 4.352 1.276 -0.386 + 1013TIP3 H236700 4.250 1.180 -0.445 + 1013TIP3 OH236701 3.460 -0.440 1.077 + 1013TIP3 H136702 3.418 -0.525 1.102 + 1013TIP3 H236703 3.553 -0.462 1.091 + 1013TIP3 OH236704 3.702 -0.506 1.249 + 1013TIP3 H136705 3.784 -0.540 1.206 + 1013TIP3 H236706 3.663 -0.589 1.282 + 1013TIP3 OH236707 3.527 1.175 -0.499 + 1013TIP3 H136708 3.496 1.189 -0.408 + 1013TIP3 H236709 3.601 1.113 -0.484 + 1013TIP3 OH236710 -3.164 2.284 0.140 + 1013TIP3 H136711 -3.159 2.379 0.161 + 1013TIP3 H236712 -3.239 2.284 0.078 + 1013TIP3 OH236713 -3.273 2.233 0.450 + 1013TIP3 H136714 -3.275 2.181 0.532 + 1013TIP3 H236715 -3.305 2.169 0.385 + 1013TIP3 OH236716 -4.027 2.193 0.614 + 1013TIP3 H136717 -4.033 2.119 0.678 + 1013TIP3 H236718 -3.960 2.249 0.657 + 1013TIP3 OH236719 -2.909 2.507 0.283 + 1013TIP3 H136720 -2.944 2.437 0.340 + 1013TIP3 H236721 -2.878 2.571 0.350 + 1013TIP3 OH236722 -3.959 2.655 0.467 + 1013TIP3 H136723 -3.988 2.566 0.440 + 1013TIP3 H236724 -3.865 2.639 0.485 + 1013TIP3 OH236725 -4.214 2.025 -0.111 + 1013TIP3 H136726 -4.252 2.107 -0.077 + 1013TIP3 H236727 -4.292 1.967 -0.114 + 1014TIP3 OH236728 -4.207 2.230 0.172 + 1014TIP3 H136729 -4.186 2.168 0.244 + 1014TIP3 H236730 -4.122 2.272 0.155 + 1014TIP3 OH236731 -3.201 3.044 0.339 + 1014TIP3 H136732 -3.142 2.973 0.308 + 1014TIP3 H236733 -3.229 3.010 0.425 + 1014TIP3 OH236734 -3.426 2.485 0.507 + 1014TIP3 H136735 -3.392 2.413 0.450 + 1014TIP3 H236736 -3.345 2.501 0.560 + 1014TIP3 OH236737 -2.551 1.639 0.564 + 1014TIP3 H136738 -2.529 1.695 0.641 + 1014TIP3 H236739 -2.487 1.672 0.499 + 1014TIP3 OH236740 -3.096 1.919 0.556 + 1014TIP3 H136741 -3.081 1.824 0.565 + 1014TIP3 H236742 -3.106 1.928 0.460 + 1014TIP3 OH236743 -3.797 1.720 0.266 + 1014TIP3 H136744 -3.786 1.805 0.220 + 1014TIP3 H236745 -3.834 1.666 0.193 + 1014TIP3 OH236746 -3.032 1.730 0.063 + 1014TIP3 H136747 -2.993 1.676 0.134 + 1014TIP3 H236748 -2.951 1.776 0.032 + 1014TIP3 OH236749 -4.138 1.994 0.319 + 1014TIP3 H136750 -4.080 1.952 0.385 + 1014TIP3 H236751 -4.120 1.939 0.241 + 1014TIP3 OH236752 -3.590 2.130 0.261 + 1014TIP3 H136753 -3.522 2.074 0.303 + 1014TIP3 H236754 -3.644 2.064 0.215 + 1014TIP3 OH236755 -2.487 1.770 0.814 + 1014TIP3 H136756 -2.545 1.845 0.791 + 1014TIP3 H236757 -2.493 1.772 0.911 + 1015TIP3 OH236758 -3.917 1.603 0.683 + 1015TIP3 H136759 -3.964 1.644 0.610 + 1015TIP3 H236760 -3.981 1.617 0.756 + 1015TIP3 OH236761 -3.171 2.574 0.022 + 1015TIP3 H136762 -3.201 2.554 -0.067 + 1015TIP3 H236763 -3.215 2.659 0.041 + 1015TIP3 OH236764 -3.626 2.387 0.694 + 1015TIP3 H136765 -3.699 2.447 0.721 + 1015TIP3 H236766 -3.564 2.448 0.651 + 1015TIP3 OH236767 -2.844 1.669 0.295 + 1015TIP3 H136768 -2.872 1.601 0.357 + 1015TIP3 H236769 -2.783 1.721 0.350 + 1015TIP3 OH236770 -3.958 1.807 0.473 + 1015TIP3 H136771 -3.893 1.863 0.521 + 1015TIP3 H236772 -3.899 1.768 0.405 + 1015TIP3 OH236773 -3.827 2.573 0.769 + 1015TIP3 H136774 -3.830 2.665 0.735 + 1015TIP3 H236775 -3.916 2.567 0.809 + 1015TIP3 OH236776 -4.182 2.537 -0.142 + 1015TIP3 H136777 -4.264 2.555 -0.193 + 1015TIP3 H236778 -4.191 2.599 -0.067 + 1015TIP3 OH236779 -2.851 2.689 0.532 + 1015TIP3 H136780 -2.948 2.701 0.534 + 1015TIP3 H236781 -2.822 2.774 0.496 + 1015TIP3 OH236782 -2.815 1.579 0.683 + 1015TIP3 H136783 -2.892 1.617 0.639 + 1015TIP3 H236784 -2.744 1.595 0.618 + 1015TIP3 OH236785 -3.504 1.347 0.392 + 1015TIP3 H136786 -3.528 1.253 0.387 + 1015TIP3 H236787 -3.587 1.386 0.428 + 1016TIP3 OH236788 -3.019 2.882 0.191 + 1016TIP3 H136789 -2.971 2.804 0.158 + 1016TIP3 H236790 -2.953 2.953 0.178 + 1016TIP3 OH236791 -2.875 2.669 0.051 + 1016TIP3 H136792 -2.927 2.624 -0.017 + 1016TIP3 H236793 -2.881 2.606 0.125 + 1016TIP3 OH236794 -2.724 2.553 0.900 + 1016TIP3 H136795 -2.731 2.487 0.829 + 1016TIP3 H236796 -2.707 2.635 0.851 + 1016TIP3 OH236797 -3.283 2.241 -0.134 + 1016TIP3 H136798 -3.353 2.303 -0.164 + 1016TIP3 H236799 -3.219 2.248 -0.206 + 1016TIP3 OH236800 -3.264 2.063 -0.419 + 1016TIP3 H136801 -3.188 2.086 -0.363 + 1016TIP3 H236802 -3.222 2.005 -0.484 + 1016TIP3 OH236803 -2.547 2.168 0.694 + 1016TIP3 H136804 -2.616 2.235 0.703 + 1016TIP3 H236805 -2.495 2.202 0.619 + 1016TIP3 OH236806 -2.944 2.238 -0.022 + 1016TIP3 H136807 -3.010 2.265 0.046 + 1016TIP3 H236808 -2.882 2.185 0.032 + 1016TIP3 OH236809 -2.961 2.096 0.862 + 1016TIP3 H136810 -2.954 2.178 0.913 + 1016TIP3 H236811 -3.025 2.125 0.795 + 1016TIP3 OH236812 -3.782 2.321 0.154 + 1016TIP3 H136813 -3.816 2.278 0.074 + 1016TIP3 H236814 -3.718 2.254 0.187 + 1016TIP3 OH236815 -3.648 2.659 0.430 + 1016TIP3 H136816 -3.659 2.623 0.341 + 1016TIP3 H236817 -3.568 2.613 0.461 + 1017TIP3 OH236818 -3.726 2.203 0.502 + 1017TIP3 H136819 -3.667 2.207 0.425 + 1017TIP3 H236820 -3.688 2.268 0.563 + 1017TIP3 OH236821 -3.131 2.752 0.562 + 1017TIP3 H136822 -3.129 2.819 0.633 + 1017TIP3 H236823 -3.153 2.670 0.610 + 1017TIP3 OH236824 -3.642 2.633 0.988 + 1017TIP3 H136825 -3.695 2.699 1.036 + 1017TIP3 H236826 -3.706 2.605 0.919 + 1017TIP3 OH236827 -3.036 2.137 -0.261 + 1017TIP3 H136828 -2.988 2.178 -0.186 + 1017TIP3 H236829 -2.991 2.184 -0.336 + 1017TIP3 OH236830 -3.956 2.267 0.903 + 1017TIP3 H136831 -3.948 2.327 0.979 + 1017TIP3 H236832 -4.053 2.263 0.893 + 1017TIP3 OH236833 -3.303 2.846 0.080 + 1017TIP3 H136834 -3.257 2.877 0.159 + 1017TIP3 H236835 -3.352 2.925 0.052 + 1017TIP3 OH236836 -3.835 2.848 1.072 + 1017TIP3 H136837 -3.842 2.853 0.975 + 1017TIP3 H236838 -3.927 2.830 1.099 + 1017TIP3 OH236839 -2.689 1.344 -0.344 + 1017TIP3 H136840 -2.772 1.348 -0.296 + 1017TIP3 H236841 -2.651 1.433 -0.331 + 1017TIP3 OH236842 -3.892 2.193 -0.093 + 1017TIP3 H136843 -3.917 2.270 -0.146 + 1017TIP3 H236844 -3.961 2.129 -0.117 + 1017TIP3 OH236845 -2.564 2.773 -0.474 + 1017TIP3 H136846 -2.551 2.867 -0.450 + 1017TIP3 H236847 -2.477 2.735 -0.453 + 1018TIP3 OH236848 -4.266 2.476 0.761 + 1018TIP3 H136849 -4.288 2.443 0.673 + 1018TIP3 H236850 -4.307 2.407 0.817 + 1018TIP3 OH236851 -4.282 2.754 0.459 + 1018TIP3 H136852 -4.196 2.714 0.478 + 1018TIP3 H236853 -4.300 2.805 0.539 + 1018TIP3 OH236854 -2.441 2.813 1.053 + 1018TIP3 H136855 -2.451 2.717 1.035 + 1018TIP3 H236856 -2.533 2.836 1.079 + 1018TIP3 OH236857 -3.378 2.737 0.932 + 1018TIP3 H136858 -3.371 2.820 0.983 + 1018TIP3 H236859 -3.469 2.707 0.954 + 1018TIP3 OH236860 -3.347 3.119 -0.071 + 1018TIP3 H136861 -3.349 3.129 -0.168 + 1018TIP3 H236862 -3.344 3.211 -0.040 + 1018TIP3 OH236863 -3.976 3.031 0.092 + 1018TIP3 H136864 -3.954 2.990 0.178 + 1018TIP3 H236865 -4.055 2.980 0.069 + 1018TIP3 OH236866 -3.019 3.061 -0.353 + 1018TIP3 H136867 -2.961 2.995 -0.397 + 1018TIP3 H236868 -3.025 3.024 -0.263 + 1018TIP3 OH236869 -3.080 3.003 -0.073 + 1018TIP3 H136870 -3.175 3.018 -0.059 + 1018TIP3 H236871 -3.064 2.933 -0.008 + 1018TIP3 OH236872 -2.765 1.951 1.093 + 1018TIP3 H136873 -2.814 1.990 1.019 + 1018TIP3 H236874 -2.759 1.857 1.065 + 1018TIP3 OH236875 -4.071 2.616 0.909 + 1018TIP3 H136876 -4.042 2.559 0.982 + 1018TIP3 H236877 -4.147 2.567 0.870 + 1019TIP3 OH236878 -3.748 1.465 0.481 + 1019TIP3 H136879 -3.830 1.454 0.431 + 1019TIP3 H236880 -3.774 1.535 0.543 + 1019TIP3 OH236881 -3.311 1.421 0.847 + 1019TIP3 H136882 -3.258 1.368 0.910 + 1019TIP3 H236883 -3.401 1.387 0.860 + 1019TIP3 OH236884 -2.996 1.800 0.896 + 1019TIP3 H136885 -3.054 1.784 0.973 + 1019TIP3 H236886 -3.001 1.896 0.885 + 1019TIP3 OH236887 -2.905 2.278 -0.466 + 1019TIP3 H136888 -2.921 2.270 -0.562 + 1019TIP3 H236889 -2.816 2.317 -0.466 + 1019TIP3 OH236890 -3.289 1.662 -0.403 + 1019TIP3 H136891 -3.366 1.656 -0.343 + 1019TIP3 H236892 -3.327 1.614 -0.479 + 1019TIP3 OH236893 -3.760 1.942 0.623 + 1019TIP3 H136894 -3.820 1.952 0.699 + 1019TIP3 H236895 -3.756 2.034 0.587 + 1019TIP3 OH236896 -3.770 1.949 0.110 + 1019TIP3 H136897 -3.866 1.943 0.095 + 1019TIP3 H236898 -3.737 1.930 0.020 + 1019TIP3 OH236899 -3.172 1.992 -0.063 + 1019TIP3 H136900 -3.230 2.071 -0.050 + 1019TIP3 H236901 -3.105 2.038 -0.116 + 1019TIP3 OH236902 -3.288 2.027 1.126 + 1019TIP3 H136903 -3.338 1.950 1.160 + 1019TIP3 H236904 -3.200 2.012 1.165 + 1019TIP3 OH236905 -3.120 1.936 0.261 + 1019TIP3 H136906 -3.140 2.001 0.192 + 1019TIP3 H236907 -3.101 1.857 0.208 + 1020TIP3 OH236908 -4.024 1.958 0.806 + 1020TIP3 H136909 -3.998 1.995 0.892 + 1020TIP3 H236910 -4.052 1.869 0.830 + 1020TIP3 OH236911 -3.684 1.720 -0.530 + 1020TIP3 H136912 -3.726 1.678 -0.453 + 1020TIP3 H236913 -3.759 1.735 -0.589 + 1020TIP3 OH236914 -4.317 1.722 0.174 + 1020TIP3 H136915 -4.307 1.690 0.265 + 1020TIP3 H236916 -4.284 1.647 0.123 + 1020TIP3 OH236917 -4.208 1.758 -0.247 + 1020TIP3 H136918 -4.148 1.787 -0.319 + 1020TIP3 H236919 -4.291 1.796 -0.276 + 1020TIP3 OH236920 -3.212 2.113 0.711 + 1020TIP3 H136921 -3.167 2.041 0.662 + 1020TIP3 H236922 -3.244 2.066 0.789 + 1020TIP3 OH236923 -3.490 1.712 0.209 + 1020TIP3 H136924 -3.584 1.703 0.232 + 1020TIP3 H236925 -3.448 1.687 0.293 + 1020TIP3 OH236926 -4.038 1.836 0.076 + 1020TIP3 H136927 -4.115 1.849 0.019 + 1020TIP3 H236928 -4.004 1.751 0.043 + 1020TIP3 OH236929 -3.665 1.861 -0.153 + 1020TIP3 H136930 -3.572 1.886 -0.151 + 1020TIP3 H236931 -3.703 1.920 -0.222 + 1020TIP3 OH236932 -3.054 1.622 0.516 + 1020TIP3 H136933 -3.117 1.622 0.592 + 1020TIP3 H236934 -3.112 1.588 0.446 + 1020TIP3 OH236935 -3.821 1.988 -0.370 + 1020TIP3 H136936 -3.885 1.960 -0.437 + 1020TIP3 H236937 -3.743 2.007 -0.425 + 1021TIP3 OH236938 -2.753 3.203 1.182 + 1021TIP3 H136939 -2.729 3.245 1.097 + 1021TIP3 H236940 -2.681 3.232 1.240 + 1021TIP3 OH236941 -3.951 2.462 1.125 + 1021TIP3 H136942 -3.890 2.466 1.201 + 1021TIP3 H236943 -4.037 2.471 1.172 + 1021TIP3 OH236944 -3.386 1.962 0.394 + 1021TIP3 H136945 -3.313 1.914 0.353 + 1021TIP3 H236946 -3.406 1.904 0.471 + 1021TIP3 OH236947 -3.873 1.599 0.023 + 1021TIP3 H136948 -3.923 1.516 0.027 + 1021TIP3 H236949 -3.795 1.571 -0.027 + 1021TIP3 OH236950 -3.489 1.812 0.617 + 1021TIP3 H136951 -3.569 1.866 0.623 + 1021TIP3 H236952 -3.442 1.834 0.701 + 1021TIP3 OH236953 -3.471 2.440 -0.187 + 1021TIP3 H136954 -3.550 2.394 -0.224 + 1021TIP3 H236955 -3.496 2.449 -0.092 + 1021TIP3 OH236956 -2.756 2.364 0.685 + 1021TIP3 H136957 -2.704 2.417 0.620 + 1021TIP3 H236958 -2.840 2.353 0.638 + 1021TIP3 OH236959 -3.313 2.449 0.943 + 1021TIP3 H136960 -3.344 2.416 1.028 + 1021TIP3 H236961 -3.344 2.541 0.943 + 1021TIP3 OH236962 -3.977 2.378 0.381 + 1021TIP3 H136963 -3.909 2.371 0.312 + 1021TIP3 H236964 -3.962 2.297 0.433 + 1021TIP3 OH236965 -3.238 2.583 -0.296 + 1021TIP3 H136966 -3.264 2.670 -0.259 + 1021TIP3 H236967 -3.314 2.528 -0.268 + 1022TIP3 OH236968 -4.238 2.231 0.947 + 1022TIP3 H136969 -4.231 2.167 1.019 + 1022TIP3 H236970 -4.287 2.181 0.878 + 1022TIP3 OH236971 -3.540 2.166 1.118 + 1022TIP3 H136972 -3.577 2.138 1.032 + 1022TIP3 H236973 -3.447 2.136 1.108 + 1022TIP3 OH236974 -3.088 2.707 0.889 + 1022TIP3 H136975 -3.184 2.715 0.884 + 1022TIP3 H236976 -3.070 2.732 0.981 + 1022TIP3 OH236977 -2.532 1.914 -0.230 + 1022TIP3 H136978 -2.589 1.892 -0.306 + 1022TIP3 H236979 -2.522 2.010 -0.245 + 1022TIP3 OH236980 -2.489 2.518 1.048 + 1022TIP3 H136981 -2.582 2.538 1.027 + 1022TIP3 H236982 -2.453 2.499 0.959 + 1022TIP3 OH236983 -2.719 2.771 -0.227 + 1022TIP3 H136984 -2.736 2.696 -0.168 + 1022TIP3 H236985 -2.657 2.735 -0.292 + 1022TIP3 OH236986 -2.988 2.306 0.513 + 1022TIP3 H136987 -3.082 2.289 0.491 + 1022TIP3 H236988 -2.944 2.234 0.465 + 1022TIP3 OH236989 -3.727 2.715 0.120 + 1022TIP3 H136990 -3.686 2.803 0.107 + 1022TIP3 H236991 -3.819 2.733 0.097 + 1022TIP3 OH236992 -4.153 2.211 -0.410 + 1022TIP3 H136993 -4.082 2.267 -0.373 + 1022TIP3 H236994 -4.229 2.268 -0.396 + 1022TIP3 OH236995 -3.544 2.483 0.079 + 1022TIP3 H136996 -3.572 2.575 0.095 + 1022TIP3 H236997 -3.615 2.434 0.121 + 1023TIP3 OH236998 -3.526 2.910 0.717 + 1023TIP3 H136999 -3.471 2.984 0.687 + 1023TIP3 H237000 -3.464 2.861 0.772 + 1023TIP3 OH237001 -3.681 3.004 0.041 + 1023TIP3 H137002 -3.777 3.019 0.048 + 1023TIP3 H237003 -3.647 3.093 0.064 + 1023TIP3 OH237004 -3.186 2.484 0.673 + 1023TIP3 H137005 -3.214 2.457 0.762 + 1023TIP3 H237006 -3.111 2.424 0.656 + 1023TIP3 OH237007 -2.968 2.613 -0.436 + 1023TIP3 H137008 -2.927 2.572 -0.358 + 1023TIP3 H237009 -3.061 2.601 -0.412 + 1023TIP3 OH237010 -2.893 2.943 0.914 + 1023TIP3 H137011 -2.967 2.897 0.871 + 1023TIP3 H237012 -2.881 3.021 0.857 + 1023TIP3 OH237013 -2.496 3.041 -0.382 + 1023TIP3 H137014 -2.425 3.105 -0.403 + 1023TIP3 H237015 -2.572 3.101 -0.381 + 1023TIP3 OH237016 -4.101 1.687 0.885 + 1023TIP3 H137017 -4.188 1.725 0.861 + 1023TIP3 H237018 -4.122 1.602 0.925 + 1023TIP3 OH237019 -2.872 2.477 -0.196 + 1023TIP3 H137020 -2.899 2.403 -0.140 + 1023TIP3 H237021 -2.775 2.475 -0.186 + 1023TIP3 OH237022 -4.128 2.857 0.725 + 1023TIP3 H137023 -4.109 2.763 0.736 + 1023TIP3 H237024 -4.096 2.891 0.810 + 1023TIP3 OH237025 -3.544 2.720 -0.577 + 1023TIP3 H137026 -3.516 2.641 -0.627 + 1023TIP3 H237027 -3.587 2.680 -0.500 + 1024TIP3 OH237028 -3.658 2.670 -0.306 + 1024TIP3 H137029 -3.612 2.620 -0.237 + 1024TIP3 H237030 -3.646 2.763 -0.275 + 1024TIP3 OH237031 -3.985 2.413 -0.271 + 1024TIP3 H137032 -4.056 2.454 -0.215 + 1024TIP3 H237033 -3.938 2.494 -0.296 + 1024TIP3 OH237034 -3.210 1.662 0.735 + 1024TIP3 H137035 -3.148 1.690 0.804 + 1024TIP3 H237036 -3.259 1.589 0.778 + 1024TIP3 OH237037 -3.365 2.834 -0.243 + 1024TIP3 H137038 -3.447 2.883 -0.225 + 1024TIP3 H237039 -3.330 2.882 -0.319 + 1024TIP3 OH237040 -3.377 1.802 -0.043 + 1024TIP3 H137041 -3.322 1.879 -0.020 + 1024TIP3 H237042 -3.426 1.787 0.041 + 1024TIP3 OH237043 -3.368 1.897 0.872 + 1024TIP3 H137044 -3.364 1.949 0.953 + 1024TIP3 H237045 -3.314 1.820 0.895 + 1024TIP3 OH237046 -3.318 1.519 0.042 + 1024TIP3 H137047 -3.355 1.570 0.116 + 1024TIP3 H237048 -3.247 1.577 0.014 + 1024TIP3 OH237049 -3.644 2.941 -0.244 + 1024TIP3 H137050 -3.652 3.021 -0.299 + 1024TIP3 H237051 -3.659 2.976 -0.154 + 1024TIP3 OH237052 -3.777 1.609 -0.291 + 1024TIP3 H137053 -3.764 1.688 -0.237 + 1024TIP3 H237054 -3.697 1.556 -0.273 + 1024TIP3 OH237055 -2.742 1.699 0.962 + 1024TIP3 H137056 -2.838 1.710 0.943 + 1024TIP3 H237057 -2.712 1.678 0.872 + 1025TIP3 OH237058 -2.887 2.080 0.357 + 1025TIP3 H137059 -2.969 2.032 0.335 + 1025TIP3 H237060 -2.837 2.011 0.407 + 1025TIP3 OH237061 -3.930 2.697 -0.388 + 1025TIP3 H137062 -3.854 2.743 -0.349 + 1025TIP3 H237063 -3.884 2.643 -0.454 + 1025TIP3 OH237064 -4.113 1.913 -0.471 + 1025TIP3 H137065 -4.113 2.009 -0.452 + 1025TIP3 H237066 -4.188 1.900 -0.530 + 1025TIP3 OH237067 -2.788 2.968 0.502 + 1025TIP3 H137068 -2.805 3.050 0.451 + 1025TIP3 H237069 -2.695 2.982 0.526 + 1025TIP3 OH237070 -4.027 1.411 0.397 + 1025TIP3 H137071 -4.056 1.406 0.305 + 1025TIP3 H237072 -4.067 1.330 0.435 + 1025TIP3 OH237073 -4.135 2.778 0.027 + 1025TIP3 H137074 -4.227 2.808 0.034 + 1025TIP3 H237075 -4.107 2.817 -0.056 + 1025TIP3 OH237076 -4.214 3.053 1.148 + 1025TIP3 H137077 -4.151 3.052 1.222 + 1025TIP3 H237078 -4.216 2.957 1.133 + 1025TIP3 OH237079 -3.719 2.966 1.323 + 1025TIP3 H137080 -3.656 2.894 1.339 + 1025TIP3 H237081 -3.750 2.943 1.234 + 1025TIP3 OH237082 -3.322 2.890 -0.527 + 1025TIP3 H137083 -3.399 2.830 -0.537 + 1025TIP3 H237084 -3.253 2.835 -0.565 + 1025TIP3 OH237085 -3.085 2.797 1.184 + 1025TIP3 H137086 -3.121 2.712 1.216 + 1025TIP3 H237087 -3.011 2.812 1.245 + 1026TIP3 OH237088 -2.860 2.881 -0.517 + 1026TIP3 H137089 -2.843 2.801 -0.464 + 1026TIP3 H237090 -2.780 2.885 -0.572 + 1026TIP3 OH237091 -4.199 2.456 1.209 + 1026TIP3 H137092 -4.190 2.366 1.173 + 1026TIP3 H237093 -4.287 2.482 1.178 + 1026TIP3 OH237094 -3.781 2.464 -0.543 + 1026TIP3 H137095 -3.763 2.405 -0.468 + 1026TIP3 H237096 -3.696 2.461 -0.590 + 1026TIP3 OH237097 -3.539 2.442 1.189 + 1026TIP3 H137098 -3.569 2.474 1.102 + 1026TIP3 H237099 -3.531 2.345 1.174 + 1026TIP3 OH237100 -3.255 2.597 -0.582 + 1026TIP3 H137101 -3.261 2.593 -0.485 + 1026TIP3 H237102 -3.261 2.502 -0.604 + 1026TIP3 OH237103 -3.001 2.403 0.928 + 1026TIP3 H137104 -2.923 2.456 0.908 + 1026TIP3 H237105 -3.071 2.470 0.926 + 1026TIP3 OH237106 -4.134 2.129 1.186 + 1026TIP3 H137107 -4.056 2.072 1.176 + 1026TIP3 H237108 -4.125 2.156 1.279 + 1026TIP3 OH237109 -3.672 2.272 -0.309 + 1026TIP3 H137110 -3.736 2.223 -0.255 + 1026TIP3 H237111 -3.644 2.204 -0.373 + 1026TIP3 OH237112 -3.750 2.049 0.917 + 1026TIP3 H137113 -3.806 2.127 0.933 + 1026TIP3 H237114 -3.685 2.084 0.853 + 1026TIP3 OH237115 -3.576 2.073 -0.484 + 1026TIP3 H137116 -3.582 2.080 -0.581 + 1026TIP3 H237117 -3.479 2.076 -0.471 + 1027TIP3 OH237118 -3.218 2.320 1.273 + 1027TIP3 H137119 -3.129 2.299 1.239 + 1027TIP3 H237120 -3.245 2.234 1.309 + 1027TIP3 OH237121 -2.628 2.321 -0.554 + 1027TIP3 H137122 -2.648 2.284 -0.641 + 1027TIP3 H237123 -2.637 2.417 -0.573 + 1027TIP3 OH237124 -3.691 1.778 1.030 + 1027TIP3 H137125 -3.684 1.712 0.959 + 1027TIP3 H237126 -3.711 1.859 0.979 + 1027TIP3 OH237127 -3.657 1.626 0.775 + 1027TIP3 H137128 -3.606 1.676 0.709 + 1027TIP3 H237129 -3.748 1.627 0.739 + 1027TIP3 OH237130 -3.501 2.170 0.815 + 1027TIP3 H137131 -3.417 2.161 0.766 + 1027TIP3 H237132 -3.532 2.257 0.784 + 1027TIP3 OH237133 -3.044 1.963 1.294 + 1027TIP3 H137134 -3.021 1.869 1.305 + 1027TIP3 H237135 -2.955 2.002 1.286 + 1027TIP3 OH237136 -2.948 2.242 1.143 + 1027TIP3 H137137 -2.981 2.303 1.073 + 1027TIP3 H237138 -2.858 2.226 1.108 + 1027TIP3 OH237139 -3.876 1.968 1.207 + 1027TIP3 H137140 -3.930 1.886 1.210 + 1027TIP3 H237141 -3.796 1.938 1.162 + 1027TIP3 OH237142 -3.585 1.358 0.810 + 1027TIP3 H137143 -3.604 1.452 0.794 + 1027TIP3 H237144 -3.655 1.315 0.756 + 1027TIP3 OH237145 -3.459 1.815 1.189 + 1027TIP3 H137146 -3.493 1.792 1.277 + 1027TIP3 H237147 -3.538 1.795 1.135 + 1028TIP3 OH237148 -3.204 1.720 1.075 + 1028TIP3 H137149 -3.293 1.723 1.116 + 1028TIP3 H237150 -3.158 1.656 1.133 + 1028TIP3 OH237151 -3.022 1.568 1.248 + 1028TIP3 H137152 -3.036 1.473 1.265 + 1028TIP3 H237153 -3.038 1.609 1.335 + 1028TIP3 OH237154 -4.014 1.712 1.192 + 1028TIP3 H137155 -4.016 1.638 1.128 + 1028TIP3 H237156 -4.032 1.665 1.276 + 1028TIP3 OH237157 -3.601 1.307 1.091 + 1028TIP3 H137158 -3.542 1.230 1.096 + 1028TIP3 H237159 -3.605 1.321 0.994 + 1028TIP3 OH237160 -3.506 1.493 1.277 + 1028TIP3 H137161 -3.536 1.434 1.204 + 1028TIP3 H237162 -3.575 1.560 1.279 + 1028TIP3 OH237163 -3.599 3.197 -0.374 + 1028TIP3 H137164 -3.504 3.209 -0.364 + 1028TIP3 H237165 -3.614 3.241 -0.458 + 1028TIP3 OH237166 -4.198 2.687 -0.467 + 1028TIP3 H137167 -4.123 2.680 -0.406 + 1028TIP3 H237168 -4.219 2.595 -0.487 + 1028TIP3 OH237169 -4.273 2.965 0.246 + 1028TIP3 H137170 -4.277 2.876 0.285 + 1028TIP3 H237171 -4.244 3.016 0.323 + 1028TIP3 OH237172 -2.516 3.086 0.552 + 1028TIP3 H137173 -2.498 3.082 0.647 + 1028TIP3 H237174 -2.430 3.113 0.517 + 1028TIP3 OH237175 -2.528 3.030 0.841 + 1028TIP3 H137176 -2.576 2.954 0.803 + 1028TIP3 H237177 -2.467 2.983 0.900 + 1029TIP3 OH237178 -2.726 2.575 1.267 + 1029TIP3 H137179 -2.813 2.580 1.310 + 1029TIP3 H237180 -2.680 2.653 1.300 + 1029TIP3 OH237181 -2.586 2.461 -0.158 + 1029TIP3 H137182 -2.495 2.495 -0.142 + 1029TIP3 H237183 -2.593 2.399 -0.083 + 1029TIP3 OH237184 -2.540 2.259 0.045 + 1029TIP3 H137185 -2.602 2.193 0.082 + 1029TIP3 H237186 -2.470 2.264 0.113 + 1029TIP3 OH237187 -2.566 2.506 0.537 + 1029TIP3 H137188 -2.501 2.458 0.483 + 1029TIP3 H237189 -2.553 2.598 0.508 + 1029TIP3 OH237190 -2.696 2.801 0.761 + 1029TIP3 H137191 -2.770 2.839 0.812 + 1029TIP3 H237192 -2.741 2.763 0.683 + 1029TIP3 OH237193 -2.514 2.203 -0.302 + 1029TIP3 H137194 -2.565 2.231 -0.380 + 1029TIP3 H237195 -2.525 2.279 -0.243 + 1029TIP3 OH237196 -2.686 1.954 -0.478 + 1029TIP3 H137197 -2.661 2.014 -0.549 + 1029TIP3 H237198 -2.705 1.871 -0.527 + 1029TIP3 OH237199 -2.754 2.055 0.111 + 1029TIP3 H137200 -2.759 1.959 0.110 + 1029TIP3 H237201 -2.781 2.075 0.203 + 1029TIP3 OH237202 -4.256 2.321 0.518 + 1029TIP3 H137203 -4.223 2.344 0.430 + 1029TIP3 H237204 -4.176 2.280 0.558 + 1029TIP3 OH237205 -2.685 2.264 1.038 + 1029TIP3 H137206 -2.612 2.201 1.051 + 1029TIP3 H237207 -2.639 2.346 1.016 + 1030TIP3 OH237208 -2.530 2.071 1.161 + 1030TIP3 H137209 -2.608 2.018 1.135 + 1030TIP3 H237210 -2.458 2.005 1.152 + 1030TIP3 OH237211 -2.735 1.692 -0.560 + 1030TIP3 H137212 -2.674 1.636 -0.511 + 1030TIP3 H237213 -2.816 1.639 -0.567 + 1030TIP3 OH237214 -2.817 1.824 -0.085 + 1030TIP3 H137215 -2.766 1.741 -0.076 + 1030TIP3 H237216 -2.747 1.884 -0.116 + 1030TIP3 OH237217 -2.735 1.883 0.482 + 1030TIP3 H137218 -2.638 1.892 0.478 + 1030TIP3 H237219 -2.748 1.883 0.578 + 1030TIP3 OH237220 -2.720 1.951 0.765 + 1030TIP3 H137221 -2.805 1.991 0.791 + 1030TIP3 H237222 -2.666 2.030 0.743 + 1030TIP3 OH237223 -4.285 1.816 1.125 + 1030TIP3 H137224 -4.196 1.777 1.127 + 1030TIP3 H237225 -4.343 1.742 1.145 + 1030TIP3 OH237226 -2.468 1.366 1.293 + 1030TIP3 H137227 -2.419 1.297 1.243 + 1030TIP3 H237228 -2.461 1.443 1.234 + 1030TIP3 OH237229 -2.717 1.559 -0.062 + 1030TIP3 H137230 -2.693 1.523 0.025 + 1030TIP3 H237231 -2.791 1.501 -0.088 + 1030TIP3 OH237232 -4.195 1.670 0.446 + 1030TIP3 H137233 -4.160 1.580 0.440 + 1030TIP3 H237234 -4.115 1.723 0.459 + 1030TIP3 OH237235 -4.332 1.933 0.527 + 1030TIP3 H137236 -4.295 1.880 0.455 + 1030TIP3 H237237 -4.313 2.023 0.497 + 1031TIP3 OH237238 -2.527 1.574 1.119 + 1031TIP3 H137239 -2.615 1.615 1.120 + 1031TIP3 H237240 -2.535 1.517 1.040 + 1031TIP3 OH237241 -2.504 1.581 -0.416 + 1031TIP3 H137242 -2.459 1.502 -0.448 + 1031TIP3 H237243 -2.428 1.633 -0.382 + 1031TIP3 OH237244 -4.316 1.546 -0.120 + 1031TIP3 H137245 -4.400 1.573 -0.160 + 1031TIP3 H237246 -4.256 1.615 -0.157 + 1031TIP3 OH237247 -2.828 3.090 0.132 + 1031TIP3 H137248 -2.780 3.065 0.051 + 1031TIP3 H237249 -2.757 3.126 0.186 + 1031TIP3 OH237250 -4.291 1.443 0.715 + 1031TIP3 H137251 -4.360 1.433 0.785 + 1031TIP3 H237252 -4.337 1.488 0.643 + 1031TIP3 OH237253 -4.117 2.795 1.182 + 1031TIP3 H137254 -4.168 2.732 1.130 + 1031TIP3 H237255 -4.134 2.760 1.273 + 1031TIP3 OH237256 -3.802 2.861 0.775 + 1031TIP3 H137257 -3.834 2.944 0.735 + 1031TIP3 H237258 -3.706 2.869 0.755 + 1031TIP3 OH237259 -3.353 2.990 1.074 + 1031TIP3 H137260 -3.335 2.972 1.167 + 1031TIP3 H237261 -3.270 3.034 1.046 + 1031TIP3 OH237262 -3.124 3.134 1.000 + 1031TIP3 H137263 -3.053 3.072 0.975 + 1031TIP3 H237264 -3.091 3.166 1.087 + 1031TIP3 OH237265 -2.638 1.393 0.915 + 1031TIP3 H137266 -2.718 1.415 0.864 + 1031TIP3 H237267 -2.618 1.303 0.882 + 1032TIP3 OH237268 -4.069 3.165 0.798 + 1032TIP3 H137269 -4.137 3.214 0.748 + 1032TIP3 H237270 -4.103 3.173 0.888 + 1032TIP3 OH237271 -3.818 3.132 0.662 + 1032TIP3 H137272 -3.905 3.151 0.702 + 1032TIP3 H237273 -3.814 3.198 0.590 + 1032TIP3 OH237274 -3.342 3.131 0.616 + 1032TIP3 H137275 -3.379 3.175 0.538 + 1032TIP3 H237276 -3.333 3.207 0.677 + 1032TIP3 OH237277 -3.109 3.003 0.710 + 1032TIP3 H137278 -3.193 3.039 0.675 + 1032TIP3 H237279 -3.051 3.080 0.705 + 1032TIP3 OH237280 -2.856 3.175 0.726 + 1032TIP3 H137281 -2.859 3.271 0.705 + 1032TIP3 H237282 -2.826 3.139 0.641 + 1032TIP3 OH237283 -4.125 3.041 0.496 + 1032TIP3 H137284 -4.134 2.994 0.581 + 1032TIP3 H237285 -4.050 2.993 0.456 + 1032TIP3 OH237286 -3.910 2.914 0.346 + 1032TIP3 H137287 -3.927 2.821 0.373 + 1032TIP3 H237288 -3.819 2.928 0.379 + 1032TIP3 OH237289 -3.629 2.956 0.432 + 1032TIP3 H137290 -3.612 2.863 0.409 + 1032TIP3 H237291 -3.624 2.952 0.528 + 1032TIP3 OH237292 -3.297 1.544 0.351 + 1032TIP3 H137293 -3.364 1.477 0.374 + 1032TIP3 H237294 -3.232 1.491 0.302 + 1032TIP3 OH237295 -2.801 1.350 0.410 + 1032TIP3 H137296 -2.724 1.391 0.366 + 1032TIP3 H237297 -2.874 1.374 0.352 + 1033TIP3 OH237298 -2.602 1.463 0.192 + 1033TIP3 H137299 -2.530 1.409 0.153 + 1033TIP3 H237300 -2.558 1.550 0.201 + 1033TIP3 OH237301 -4.102 1.400 0.113 + 1033TIP3 H137302 -4.178 1.372 0.061 + 1033TIP3 H237303 -4.046 1.319 0.106 + 1033TIP3 OH237304 -4.185 1.366 -0.305 + 1033TIP3 H137305 -4.132 1.432 -0.354 + 1033TIP3 H237306 -4.234 1.423 -0.243 + 1033TIP3 OH237307 -3.610 1.411 0.102 + 1033TIP3 H137308 -3.514 1.416 0.093 + 1033TIP3 H237309 -3.620 1.392 0.196 + 1033TIP3 OH237310 -3.059 1.403 0.244 + 1033TIP3 H137311 -3.028 1.381 0.155 + 1033TIP3 H237312 -3.094 1.317 0.274 + 1033TIP3 OH237313 -2.961 1.414 -0.155 + 1033TIP3 H137314 -3.042 1.427 -0.206 + 1033TIP3 H237315 -2.971 1.320 -0.132 + 1033TIP3 OH237316 -4.186 2.965 -0.200 + 1033TIP3 H137317 -4.251 2.946 -0.268 + 1033TIP3 H237318 -4.184 3.062 -0.201 + 1033TIP3 OH237319 -4.006 1.553 -0.449 + 1033TIP3 H137320 -3.951 1.492 -0.501 + 1033TIP3 H237321 -3.944 1.580 -0.379 + 1033TIP3 OH237322 -3.479 1.572 -0.201 + 1033TIP3 H137323 -3.470 1.504 -0.132 + 1033TIP3 H237324 -3.493 1.651 -0.148 + 1033TIP3 OH237325 -3.295 3.144 -0.366 + 1033TIP3 H137326 -3.198 3.145 -0.370 + 1033TIP3 H237327 -3.315 3.078 -0.435 + 1034TIP3 OH237328 -2.646 3.046 -0.108 + 1034TIP3 H137329 -2.668 2.963 -0.152 + 1034TIP3 H237330 -2.648 3.109 -0.182 + 1034TIP3 OH237331 -4.080 1.444 1.070 + 1034TIP3 H137332 -4.125 1.366 1.109 + 1034TIP3 H237333 -3.988 1.427 1.097 + 1034TIP3 OH237334 -3.842 1.379 1.246 + 1034TIP3 H137335 -3.761 1.344 1.205 + 1034TIP3 H237336 -3.878 1.299 1.288 + 1034TIP3 OH237337 -4.011 3.066 -0.501 + 1034TIP3 H137338 -4.042 3.082 -0.410 + 1034TIP3 H237339 -3.942 2.999 -0.486 + 1034TIP3 OH237340 -3.030 1.286 1.261 + 1034TIP3 H137341 -3.026 1.247 1.350 + 1034TIP3 H237342 -2.936 1.286 1.235 + 1034TIP3 OH237343 -2.697 2.922 1.133 + 1034TIP3 H137344 -2.767 2.903 1.069 + 1034TIP3 H237345 -2.711 3.017 1.149 + 1034TIP3 OH237346 -2.112 2.199 0.605 + 1034TIP3 H137347 -2.118 2.117 0.657 + 1034TIP3 H237348 -2.060 2.254 0.666 + 1034TIP3 OH237349 -2.048 2.655 0.478 + 1034TIP3 H137350 -2.076 2.565 0.450 + 1034TIP3 H237351 -1.961 2.635 0.513 + 1034TIP3 OH237352 -2.375 1.989 0.015 + 1034TIP3 H137353 -2.409 2.080 0.015 + 1034TIP3 H237354 -2.444 1.942 -0.033 + 1034TIP3 OH237355 -2.285 2.225 0.207 + 1034TIP3 H137356 -2.264 2.142 0.252 + 1034TIP3 H237357 -2.208 2.234 0.148 + 1035TIP3 OH237358 -1.895 1.737 0.264 + 1035TIP3 H137359 -1.931 1.819 0.230 + 1035TIP3 H237360 -1.941 1.671 0.209 + 1035TIP3 OH237361 -2.217 1.964 0.341 + 1035TIP3 H137362 -2.142 1.919 0.383 + 1035TIP3 H237363 -2.207 1.934 0.249 + 1035TIP3 OH237364 -2.314 2.546 -0.144 + 1035TIP3 H137365 -2.326 2.597 -0.225 + 1035TIP3 H237366 -2.293 2.614 -0.077 + 1035TIP3 OH237367 -1.131 2.880 0.160 + 1035TIP3 H137368 -1.071 2.804 0.160 + 1035TIP3 H237369 -1.068 2.955 0.164 + 1035TIP3 OH237370 -0.830 2.534 0.885 + 1035TIP3 H137371 -0.840 2.477 0.808 + 1035TIP3 H237372 -0.833 2.623 0.844 + 1035TIP3 OH237373 -1.374 2.101 -0.425 + 1035TIP3 H137374 -1.284 2.130 -0.405 + 1035TIP3 H237375 -1.357 2.027 -0.486 + 1035TIP3 OH237376 -2.059 2.265 0.890 + 1035TIP3 H137377 -2.043 2.322 0.968 + 1035TIP3 H237378 -2.155 2.253 0.894 + 1035TIP3 OH237379 -1.428 2.833 0.073 + 1035TIP3 H137380 -1.353 2.859 0.128 + 1035TIP3 H237381 -1.466 2.916 0.042 + 1035TIP3 OH237382 -1.941 2.852 1.041 + 1035TIP3 H137383 -1.932 2.813 0.954 + 1035TIP3 H237384 -2.016 2.804 1.078 + 1035TIP3 OH237385 -2.042 2.202 -0.060 + 1035TIP3 H137386 -2.029 2.265 -0.132 + 1035TIP3 H237387 -2.066 2.121 -0.104 + 1036TIP3 OH237388 -0.701 2.782 -0.472 + 1036TIP3 H137389 -0.675 2.870 -0.438 + 1036TIP3 H237390 -0.631 2.728 -0.432 + 1036TIP3 OH237391 -2.403 2.465 0.785 + 1036TIP3 H137392 -2.443 2.462 0.696 + 1036TIP3 H237393 -2.383 2.371 0.802 + 1036TIP3 OH237394 -2.397 2.755 0.475 + 1036TIP3 H137395 -2.305 2.724 0.483 + 1036TIP3 H237396 -2.402 2.815 0.551 + 1036TIP3 OH237397 -0.558 2.814 1.053 + 1036TIP3 H137398 -0.571 2.719 1.037 + 1036TIP3 H237399 -0.648 2.840 1.082 + 1036TIP3 OH237400 -1.478 3.129 -0.057 + 1036TIP3 H137401 -1.470 3.108 -0.151 + 1036TIP3 H237402 -1.451 3.222 -0.051 + 1036TIP3 OH237403 -2.085 3.035 0.093 + 1036TIP3 H137404 -2.066 2.986 0.175 + 1036TIP3 H237405 -2.166 2.991 0.063 + 1036TIP3 OH237406 -1.132 3.059 -0.356 + 1036TIP3 H137407 -1.083 2.986 -0.398 + 1036TIP3 H237408 -1.141 3.026 -0.265 + 1036TIP3 OH237409 -1.194 3.011 -0.079 + 1036TIP3 H137410 -1.291 3.011 -0.076 + 1036TIP3 H237411 -1.174 2.942 -0.012 + 1036TIP3 OH237412 -0.840 1.975 1.096 + 1036TIP3 H137413 -0.914 2.005 1.042 + 1036TIP3 H237414 -0.847 1.879 1.086 + 1036TIP3 OH237415 -2.151 2.626 0.888 + 1036TIP3 H137416 -2.110 2.575 0.960 + 1036TIP3 H237417 -2.218 2.565 0.855 + 1037TIP3 OH237418 -1.426 1.681 -0.436 + 1037TIP3 H137419 -1.479 1.676 -0.356 + 1037TIP3 H237420 -1.449 1.599 -0.482 + 1037TIP3 OH237421 -2.142 1.965 0.799 + 1037TIP3 H137422 -2.102 1.987 0.883 + 1037TIP3 H237423 -2.147 1.868 0.806 + 1037TIP3 OH237424 -1.789 1.714 -0.540 + 1037TIP3 H137425 -1.821 1.674 -0.456 + 1037TIP3 H237426 -1.871 1.737 -0.583 + 1037TIP3 OH237427 -2.449 1.696 0.177 + 1037TIP3 H137428 -2.380 1.696 0.245 + 1037TIP3 H237429 -2.404 1.660 0.098 + 1037TIP3 OH237430 -2.305 1.740 -0.278 + 1037TIP3 H137431 -2.239 1.796 -0.322 + 1037TIP3 H237432 -2.365 1.806 -0.239 + 1037TIP3 OH237433 -2.117 1.853 0.080 + 1037TIP3 H137434 -2.201 1.880 0.039 + 1037TIP3 H237435 -2.097 1.768 0.036 + 1037TIP3 OH237436 -1.953 1.949 -0.362 + 1037TIP3 H137437 -1.987 1.950 -0.453 + 1037TIP3 H237438 -1.861 1.978 -0.375 + 1037TIP3 OH237439 -0.866 3.200 1.182 + 1037TIP3 H137440 -0.843 3.245 1.099 + 1037TIP3 H237441 -0.795 3.231 1.241 + 1037TIP3 OH237442 -2.074 2.455 1.124 + 1037TIP3 H137443 -2.007 2.470 1.193 + 1037TIP3 H237444 -2.155 2.469 1.177 + 1037TIP3 OH237445 -1.989 1.597 0.022 + 1037TIP3 H137446 -2.035 1.515 0.047 + 1037TIP3 H237447 -1.915 1.563 -0.030 + 1038TIP3 OH237448 -2.055 2.388 0.390 + 1038TIP3 H137449 -2.007 2.360 0.310 + 1038TIP3 H237450 -2.071 2.302 0.432 + 1038TIP3 OH237451 -2.358 2.216 0.923 + 1038TIP3 H137452 -2.333 2.168 1.004 + 1038TIP3 H237453 -2.410 2.151 0.874 + 1038TIP3 OH237454 -0.613 2.507 1.043 + 1038TIP3 H137455 -0.706 2.530 1.021 + 1038TIP3 H237456 -0.575 2.508 0.953 + 1038TIP3 OH237457 -1.837 2.698 0.130 + 1038TIP3 H137458 -1.777 2.772 0.114 + 1038TIP3 H237459 -1.922 2.732 0.103 + 1038TIP3 OH237460 -2.241 2.197 -0.422 + 1038TIP3 H137461 -2.181 2.260 -0.378 + 1038TIP3 H237462 -2.327 2.222 -0.383 + 1038TIP3 OH237463 -1.795 2.997 0.037 + 1038TIP3 H137464 -1.890 3.013 0.045 + 1038TIP3 H237465 -1.758 3.084 0.057 + 1038TIP3 OH237466 -1.009 2.927 0.902 + 1038TIP3 H137467 -1.092 2.895 0.863 + 1038TIP3 H237468 -0.998 3.013 0.857 + 1038TIP3 OH237469 -0.614 3.045 -0.375 + 1038TIP3 H137470 -0.539 3.102 -0.399 + 1038TIP3 H237471 -0.686 3.110 -0.382 + 1038TIP3 OH237472 -2.207 1.682 0.874 + 1038TIP3 H137473 -2.296 1.699 0.841 + 1038TIP3 H237474 -2.213 1.589 0.903 + 1038TIP3 OH237475 -2.244 2.850 0.726 + 1038TIP3 H137476 -2.207 2.762 0.745 + 1038TIP3 H237477 -2.217 2.897 0.805 + 1039TIP3 OH237478 -1.660 2.713 -0.552 + 1039TIP3 H137479 -1.638 2.638 -0.611 + 1039TIP3 H237480 -1.694 2.667 -0.475 + 1039TIP3 OH237481 -2.092 2.417 -0.272 + 1039TIP3 H137482 -2.159 2.447 -0.208 + 1039TIP3 H237483 -2.047 2.501 -0.293 + 1039TIP3 OH237484 -1.456 2.916 -0.246 + 1039TIP3 H137485 -1.545 2.881 -0.233 + 1039TIP3 H237486 -1.434 2.889 -0.336 + 1039TIP3 OH237487 -1.770 2.912 -0.259 + 1039TIP3 H137488 -1.765 2.997 -0.306 + 1039TIP3 H237489 -1.773 2.941 -0.167 + 1039TIP3 OH237490 -1.869 1.620 -0.287 + 1039TIP3 H137491 -1.875 1.706 -0.244 + 1039TIP3 H237492 -1.786 1.582 -0.253 + 1039TIP3 OH237493 -0.835 1.716 0.962 + 1039TIP3 H137494 -0.910 1.671 1.005 + 1039TIP3 H237495 -0.817 1.658 0.887 + 1039TIP3 OH237496 -2.018 2.693 -0.372 + 1039TIP3 H137497 -1.954 2.762 -0.349 + 1039TIP3 H237498 -1.974 2.647 -0.445 + 1039TIP3 OH237499 -2.232 1.919 -0.502 + 1039TIP3 H137500 -2.219 2.006 -0.462 + 1039TIP3 H237501 -2.327 1.910 -0.506 + 1039TIP3 OH237502 -0.921 2.957 0.506 + 1039TIP3 H137503 -0.931 3.037 0.453 + 1039TIP3 H237504 -0.827 2.959 0.525 + 1039TIP3 OH237505 -2.123 1.435 0.408 + 1039TIP3 H137506 -2.119 1.420 0.312 + 1039TIP3 H237507 -2.134 1.346 0.443 + 1040TIP3 OH237508 -2.255 2.765 0.028 + 1040TIP3 H137509 -2.330 2.821 0.051 + 1040TIP3 H237510 -2.211 2.817 -0.041 + 1040TIP3 OH237511 -2.313 3.059 1.145 + 1040TIP3 H137512 -2.252 3.031 1.216 + 1040TIP3 H237513 -2.349 2.973 1.115 + 1040TIP3 OH237514 -1.855 2.956 1.312 + 1040TIP3 H137515 -1.779 2.904 1.341 + 1040TIP3 H237516 -1.860 2.933 1.218 + 1040TIP3 OH237517 -1.440 2.886 -0.529 + 1040TIP3 H137518 -1.517 2.825 -0.537 + 1040TIP3 H237519 -1.369 2.832 -0.566 + 1040TIP3 OH237520 -1.208 2.791 1.175 + 1040TIP3 H137521 -1.227 2.698 1.193 + 1040TIP3 H237522 -1.129 2.808 1.230 + 1040TIP3 OH237523 -0.984 2.853 -0.513 + 1040TIP3 H137524 -0.938 2.788 -0.457 + 1040TIP3 H237525 -0.909 2.881 -0.568 + 1040TIP3 OH237526 -2.321 2.420 1.260 + 1040TIP3 H137527 -2.302 2.334 1.219 + 1040TIP3 H237528 -2.391 2.453 1.201 + 1040TIP3 OH237529 -1.890 2.472 -0.533 + 1040TIP3 H137530 -1.883 2.398 -0.469 + 1040TIP3 H237531 -1.809 2.457 -0.586 + 1040TIP3 OH237532 -1.369 2.596 -0.555 + 1040TIP3 H137533 -1.366 2.589 -0.459 + 1040TIP3 H237534 -1.371 2.502 -0.582 + 1040TIP3 OH237535 -2.227 2.131 1.169 + 1040TIP3 H137536 -2.160 2.061 1.170 + 1040TIP3 H237537 -2.230 2.155 1.263 + 1041TIP3 OH237538 -1.808 2.251 -0.351 + 1041TIP3 H137539 -1.826 2.218 -0.262 + 1041TIP3 H237540 -1.759 2.176 -0.389 + 1041TIP3 OH237541 -1.824 2.054 0.922 + 1041TIP3 H137542 -1.893 2.115 0.949 + 1041TIP3 H237543 -1.819 2.070 0.827 + 1041TIP3 OH237544 -1.674 2.051 -0.491 + 1041TIP3 H137545 -1.688 2.073 -0.585 + 1041TIP3 H237546 -1.582 2.078 -0.476 + 1041TIP3 OH237547 -0.759 2.289 -0.535 + 1041TIP3 H137548 -0.773 2.285 -0.631 + 1041TIP3 H237549 -0.728 2.381 -0.525 + 1041TIP3 OH237550 -1.036 2.215 1.127 + 1041TIP3 H137551 -1.069 2.294 1.085 + 1041TIP3 H237552 -0.946 2.209 1.089 + 1041TIP3 OH237553 -1.961 1.942 1.194 + 1041TIP3 H137554 -2.023 1.867 1.187 + 1041TIP3 H237555 -1.891 1.917 1.132 + 1041TIP3 OH237556 -2.120 1.706 1.185 + 1041TIP3 H137557 -2.125 1.634 1.120 + 1041TIP3 H237558 -2.140 1.660 1.268 + 1041TIP3 OH237559 -1.636 1.469 1.297 + 1041TIP3 H137560 -1.637 1.432 1.208 + 1041TIP3 H237561 -1.678 1.556 1.286 + 1041TIP3 OH237562 -1.716 3.187 -0.373 + 1041TIP3 H137563 -1.622 3.203 -0.356 + 1041TIP3 H237564 -1.728 3.239 -0.453 + 1041TIP3 OH237565 -2.315 2.641 -0.423 + 1041TIP3 H137566 -2.220 2.652 -0.404 + 1041TIP3 H237567 -2.315 2.559 -0.478 + 1042TIP3 OH237568 -2.424 3.157 0.052 + 1042TIP3 H137569 -2.496 3.118 -0.002 + 1042TIP3 H237570 -2.413 3.088 0.121 + 1042TIP3 OH237571 -2.386 2.958 0.251 + 1042TIP3 H137572 -2.414 2.871 0.283 + 1042TIP3 H237573 -2.348 2.993 0.333 + 1042TIP3 OH237574 -0.635 3.088 0.549 + 1042TIP3 H137575 -0.617 3.076 0.643 + 1042TIP3 H237576 -0.547 3.110 0.515 + 1042TIP3 OH237577 -0.648 3.023 0.839 + 1042TIP3 H137578 -0.694 2.947 0.800 + 1042TIP3 H237579 -0.589 2.978 0.901 + 1042TIP3 OH237580 -0.848 2.567 1.271 + 1042TIP3 H137581 -0.929 2.573 1.324 + 1042TIP3 H237582 -0.799 2.647 1.299 + 1042TIP3 OH237583 -0.830 2.774 0.753 + 1042TIP3 H137584 -0.891 2.829 0.807 + 1042TIP3 H237585 -0.878 2.769 0.669 + 1042TIP3 OH237586 -2.365 2.292 0.496 + 1042TIP3 H137587 -2.344 2.292 0.401 + 1042TIP3 H237588 -2.277 2.270 0.533 + 1042TIP3 OH237589 -0.773 2.256 1.031 + 1042TIP3 H137590 -0.721 2.187 1.074 + 1042TIP3 H237591 -0.720 2.336 1.041 + 1042TIP3 OH237592 -2.379 1.827 1.126 + 1042TIP3 H137593 -2.286 1.800 1.130 + 1042TIP3 H237594 -2.424 1.741 1.133 + 1042TIP3 OH237595 -2.274 1.666 0.421 + 1042TIP3 H137596 -2.229 1.578 0.422 + 1042TIP3 H237597 -2.210 1.718 0.471 + 1043TIP3 OH237598 -2.453 1.934 0.505 + 1043TIP3 H137599 -2.384 1.920 0.438 + 1043TIP3 H237600 -2.414 2.006 0.556 + 1043TIP3 OH237601 -0.623 1.587 1.163 + 1043TIP3 H137602 -0.717 1.607 1.180 + 1043TIP3 H237603 -0.627 1.506 1.112 + 1043TIP3 OH237604 -2.404 1.569 -0.072 + 1043TIP3 H137605 -2.495 1.565 -0.102 + 1043TIP3 H237606 -2.355 1.600 -0.150 + 1043TIP3 OH237607 -0.938 3.092 0.130 + 1043TIP3 H137608 -0.893 3.066 0.048 + 1043TIP3 H237609 -0.864 3.124 0.184 + 1043TIP3 OH237610 -2.397 1.435 0.732 + 1043TIP3 H137611 -2.465 1.422 0.799 + 1043TIP3 H237612 -2.441 1.496 0.670 + 1043TIP3 OH237613 -2.195 2.742 1.189 + 1043TIP3 H137614 -2.269 2.759 1.130 + 1043TIP3 H237615 -2.231 2.758 1.276 + 1043TIP3 OH237616 -1.485 2.981 1.054 + 1043TIP3 H137617 -1.466 2.939 1.139 + 1043TIP3 H237618 -1.396 3.007 1.023 + 1043TIP3 OH237619 -1.240 3.130 0.990 + 1043TIP3 H137620 -1.177 3.057 0.977 + 1043TIP3 H237621 -1.215 3.160 1.080 + 1043TIP3 OH237622 -2.183 3.152 0.805 + 1043TIP3 H137623 -2.239 3.218 0.761 + 1043TIP3 H237624 -2.215 3.160 0.896 + 1043TIP3 OH237625 -1.920 3.096 0.654 + 1043TIP3 H137626 -2.001 3.105 0.707 + 1043TIP3 H237627 -1.922 3.173 0.597 + 1044TIP3 OH237628 -1.443 3.129 0.611 + 1044TIP3 H137629 -1.501 3.168 0.544 + 1044TIP3 H237630 -1.452 3.191 0.685 + 1044TIP3 OH237631 -1.213 2.991 0.699 + 1044TIP3 H137632 -1.303 3.018 0.671 + 1044TIP3 H237633 -1.168 3.077 0.701 + 1044TIP3 OH237634 -0.965 3.172 0.725 + 1044TIP3 H137635 -0.974 3.267 0.704 + 1044TIP3 H237636 -0.940 3.137 0.638 + 1044TIP3 OH237637 -2.221 3.032 0.499 + 1044TIP3 H137638 -2.221 2.986 0.586 + 1044TIP3 H237639 -2.143 2.989 0.457 + 1044TIP3 OH237640 -2.017 2.905 0.347 + 1044TIP3 H137641 -2.028 2.812 0.375 + 1044TIP3 H237642 -1.927 2.924 0.380 + 1044TIP3 OH237643 -1.740 2.946 0.441 + 1044TIP3 H137644 -1.712 2.857 0.418 + 1044TIP3 H237645 -1.748 2.943 0.537 + 1044TIP3 OH237646 -2.161 1.379 0.124 + 1044TIP3 H137647 -2.248 1.367 0.082 + 1044TIP3 H237648 -2.119 1.293 0.108 + 1044TIP3 OH237649 -2.278 2.960 -0.178 + 1044TIP3 H137650 -2.341 2.950 -0.250 + 1044TIP3 H237651 -2.277 3.056 -0.169 + 1044TIP3 OH237652 -2.104 1.551 -0.470 + 1044TIP3 H137653 -2.057 1.467 -0.478 + 1044TIP3 H237654 -2.078 1.577 -0.380 + 1044TIP3 OH237655 -1.609 1.531 -0.191 + 1044TIP3 H137656 -1.567 1.518 -0.105 + 1044TIP3 H237657 -1.544 1.492 -0.250 + 1045TIP3 OH237658 -1.399 3.169 -0.384 + 1045TIP3 H137659 -1.304 3.149 -0.376 + 1045TIP3 H237660 -1.431 3.086 -0.424 + 1045TIP3 OH237661 -0.779 3.031 -0.117 + 1045TIP3 H137662 -0.763 2.944 -0.156 + 1045TIP3 H237663 -0.757 3.090 -0.191 + 1045TIP3 OH237664 -2.194 1.439 1.065 + 1045TIP3 H137665 -2.236 1.358 1.100 + 1045TIP3 H237666 -2.101 1.424 1.088 + 1045TIP3 OH237667 -1.959 1.376 1.241 + 1045TIP3 H137668 -1.875 1.338 1.213 + 1045TIP3 H237669 -1.998 1.298 1.284 + 1045TIP3 OH237670 -2.135 3.051 -0.498 + 1045TIP3 H137671 -2.156 3.083 -0.409 + 1045TIP3 H237672 -2.052 3.002 -0.484 + 1045TIP3 OH237673 -0.810 2.922 1.127 + 1045TIP3 H137674 -0.885 2.901 1.070 + 1045TIP3 H237675 -0.828 3.016 1.149 + 1045TIP3 OH237676 0.621 2.294 0.135 + 1045TIP3 H137677 0.611 2.391 0.134 + 1045TIP3 H237678 0.539 2.263 0.095 + 1045TIP3 OH237679 0.496 2.234 0.446 + 1045TIP3 H137680 0.497 2.173 0.521 + 1045TIP3 H237681 0.464 2.175 0.376 + 1045TIP3 OH237682 0.865 2.510 0.283 + 1045TIP3 H137683 0.830 2.434 0.331 + 1045TIP3 H237684 0.891 2.568 0.355 + 1045TIP3 OH237685 -0.181 2.634 0.462 + 1045TIP3 H137686 -0.201 2.557 0.408 + 1045TIP3 H237687 -0.087 2.621 0.483 + 1046TIP3 OH237688 0.572 3.045 0.340 + 1046TIP3 H137689 0.630 2.973 0.308 + 1046TIP3 H237690 0.543 3.010 0.426 + 1046TIP3 OH237691 0.347 2.486 0.503 + 1046TIP3 H137692 0.380 2.409 0.453 + 1046TIP3 H237693 0.427 2.503 0.556 + 1046TIP3 OH237694 0.587 2.568 0.023 + 1046TIP3 H137695 0.577 2.559 -0.073 + 1046TIP3 H237696 0.557 2.660 0.038 + 1046TIP3 OH237697 0.142 2.361 0.686 + 1046TIP3 H137698 0.056 2.405 0.690 + 1046TIP3 H237699 0.196 2.422 0.633 + 1046TIP3 OH237700 -0.057 2.571 0.770 + 1046TIP3 H137701 -0.053 2.661 0.734 + 1046TIP3 H237702 -0.143 2.574 0.815 + 1046TIP3 OH237703 0.921 2.690 0.533 + 1046TIP3 H137704 0.824 2.700 0.535 + 1046TIP3 H237705 0.947 2.776 0.496 + 1046TIP3 OH237706 0.751 2.883 0.192 + 1046TIP3 H137707 0.798 2.803 0.161 + 1046TIP3 H237708 0.818 2.952 0.177 + 1046TIP3 OH237709 0.890 2.673 0.053 + 1046TIP3 H137710 0.855 2.619 -0.019 + 1046TIP3 H237711 0.890 2.608 0.126 + 1046TIP3 OH237712 1.051 2.552 0.900 + 1046TIP3 H137713 1.036 2.486 0.830 + 1046TIP3 H237714 1.063 2.634 0.849 + 1046TIP3 OH237715 1.231 2.169 0.720 + 1046TIP3 H137716 1.140 2.201 0.718 + 1046TIP3 H237717 1.257 2.174 0.627 + 1047TIP3 OH237718 0.832 2.247 -0.027 + 1047TIP3 H137719 0.762 2.263 0.040 + 1047TIP3 H237720 0.879 2.173 0.011 + 1047TIP3 OH237721 0.844 2.065 0.856 + 1047TIP3 H137722 0.836 2.137 0.919 + 1047TIP3 H237723 0.774 2.088 0.793 + 1047TIP3 OH237724 0.121 2.659 0.424 + 1047TIP3 H137725 0.118 2.617 0.337 + 1047TIP3 H237726 0.200 2.617 0.463 + 1047TIP3 OH237727 0.637 2.753 0.562 + 1047TIP3 H137728 0.643 2.817 0.635 + 1047TIP3 H237729 0.620 2.669 0.608 + 1047TIP3 OH237730 0.131 2.634 0.988 + 1047TIP3 H137731 0.078 2.699 1.036 + 1047TIP3 H237732 0.069 2.605 0.918 + 1047TIP3 OH237733 0.703 2.154 -0.279 + 1047TIP3 H137734 0.752 2.164 -0.197 + 1047TIP3 H237735 0.758 2.202 -0.343 + 1047TIP3 OH237736 -0.211 2.239 0.899 + 1047TIP3 H137737 -0.181 2.303 0.965 + 1047TIP3 H237738 -0.287 2.282 0.862 + 1047TIP3 OH237739 0.471 2.848 0.078 + 1047TIP3 H137740 0.515 2.876 0.159 + 1047TIP3 H237741 0.418 2.925 0.054 + 1047TIP3 OH237742 -0.061 2.853 1.070 + 1047TIP3 H137743 -0.071 2.854 0.973 + 1047TIP3 H237744 -0.148 2.823 1.101 + 1047TIP3 OH237745 1.203 2.774 -0.473 + 1047TIP3 H137746 1.220 2.868 -0.449 + 1047TIP3 H237747 1.291 2.734 -0.456 + 1048TIP3 OH237748 -0.516 2.455 0.771 + 1048TIP3 H137749 -0.545 2.474 0.680 + 1048TIP3 H237750 -0.521 2.360 0.774 + 1048TIP3 OH237751 1.328 2.814 1.050 + 1048TIP3 H137752 1.317 2.718 1.034 + 1048TIP3 H237753 1.237 2.838 1.080 + 1048TIP3 OH237754 0.393 2.739 0.931 + 1048TIP3 H137755 0.400 2.821 0.984 + 1048TIP3 H237756 0.303 2.708 0.954 + 1048TIP3 OH237757 0.419 3.120 -0.070 + 1048TIP3 H137758 0.422 3.127 -0.167 + 1048TIP3 H237759 0.428 3.212 -0.041 + 1048TIP3 OH237760 -0.208 3.029 0.093 + 1048TIP3 H137761 -0.187 2.982 0.175 + 1048TIP3 H237762 -0.283 2.975 0.061 + 1048TIP3 OH237763 0.752 3.061 -0.354 + 1048TIP3 H137764 0.809 2.995 -0.398 + 1048TIP3 H237765 0.747 3.024 -0.263 + 1048TIP3 OH237766 0.691 3.004 -0.072 + 1048TIP3 H137767 0.596 3.014 -0.058 + 1048TIP3 H237768 0.710 2.931 -0.011 + 1048TIP3 OH237769 1.009 1.940 1.079 + 1048TIP3 H137770 0.955 1.977 1.006 + 1048TIP3 H237771 1.005 1.846 1.060 + 1048TIP3 OH237772 -0.298 2.618 0.906 + 1048TIP3 H137773 -0.266 2.570 0.986 + 1048TIP3 H237774 -0.368 2.561 0.871 + 1048TIP3 OH237775 0.862 2.287 -0.468 + 1048TIP3 H137776 0.858 2.267 -0.563 + 1048TIP3 H237777 0.956 2.310 -0.458 + 1049TIP3 OH237778 0.482 2.030 1.127 + 1049TIP3 H137779 0.437 1.947 1.152 + 1049TIP3 H237780 0.573 2.012 1.158 + 1049TIP3 OH237781 -0.226 1.882 0.846 + 1049TIP3 H137782 -0.156 1.950 0.854 + 1049TIP3 H237783 -0.226 1.864 0.752 + 1049TIP3 OH237784 0.583 2.098 0.710 + 1049TIP3 H137785 0.608 2.024 0.652 + 1049TIP3 H237786 0.540 2.055 0.785 + 1049TIP3 OH237787 1.019 3.201 1.183 + 1049TIP3 H137788 1.042 3.245 1.099 + 1049TIP3 H237789 1.091 3.231 1.242 + 1049TIP3 OH237790 -0.190 2.461 1.114 + 1049TIP3 H137791 -0.119 2.466 1.181 + 1049TIP3 H237792 -0.267 2.457 1.174 + 1049TIP3 OH237793 0.352 1.974 0.413 + 1049TIP3 H137794 0.409 1.934 0.346 + 1049TIP3 H237795 0.341 1.906 0.479 + 1049TIP3 OH237796 1.005 2.371 0.684 + 1049TIP3 H137797 1.065 2.416 0.620 + 1049TIP3 H237798 0.928 2.352 0.628 + 1049TIP3 OH237799 0.465 2.457 0.942 + 1049TIP3 H137800 0.431 2.414 1.021 + 1049TIP3 H237801 0.427 2.545 0.947 + 1049TIP3 OH237802 0.513 2.576 -0.292 + 1049TIP3 H137803 0.484 2.663 -0.257 + 1049TIP3 H237804 0.438 2.519 -0.270 + 1049TIP3 OH237805 0.235 2.167 1.123 + 1049TIP3 H137806 0.196 2.140 1.037 + 1049TIP3 H237807 0.327 2.137 1.111 + 1050TIP3 OH237808 0.685 2.715 0.887 + 1050TIP3 H137809 0.588 2.715 0.883 + 1050TIP3 H237810 0.700 2.731 0.981 + 1050TIP3 OH237811 1.284 2.520 1.046 + 1050TIP3 H137812 1.189 2.536 1.028 + 1050TIP3 H237813 1.315 2.496 0.956 + 1050TIP3 OH237814 1.058 2.774 -0.222 + 1050TIP3 H137815 1.025 2.697 -0.173 + 1050TIP3 H237816 1.111 2.736 -0.292 + 1050TIP3 OH237817 0.798 2.280 0.491 + 1050TIP3 H137818 0.702 2.270 0.477 + 1050TIP3 H237819 0.829 2.191 0.470 + 1050TIP3 OH237820 0.052 2.688 0.099 + 1050TIP3 H137821 0.100 2.772 0.100 + 1050TIP3 H237822 -0.039 2.716 0.105 + 1050TIP3 OH237823 0.244 2.910 0.716 + 1050TIP3 H137824 0.301 2.984 0.688 + 1050TIP3 H237825 0.305 2.859 0.772 + 1050TIP3 OH237826 0.090 3.000 0.043 + 1050TIP3 H137827 -0.006 3.012 0.050 + 1050TIP3 H237828 0.123 3.089 0.065 + 1050TIP3 OH237829 0.597 2.479 0.672 + 1050TIP3 H137830 0.559 2.456 0.758 + 1050TIP3 H237831 0.668 2.414 0.664 + 1050TIP3 OH237832 0.794 2.614 -0.428 + 1050TIP3 H137833 0.842 2.569 -0.356 + 1050TIP3 H237834 0.703 2.594 -0.403 + 1050TIP3 OH237835 0.880 2.942 0.914 + 1050TIP3 H137836 0.805 2.894 0.874 + 1050TIP3 H237837 0.888 3.020 0.855 + 1051TIP3 OH237838 1.276 3.041 -0.381 + 1051TIP3 H137839 1.346 3.105 -0.403 + 1051TIP3 H237840 1.200 3.101 -0.381 + 1051TIP3 OH237841 0.919 2.483 -0.190 + 1051TIP3 H137842 0.875 2.404 -0.152 + 1051TIP3 H237843 1.012 2.462 -0.170 + 1051TIP3 OH237844 -0.363 2.858 0.719 + 1051TIP3 H137845 -0.335 2.766 0.724 + 1051TIP3 H237846 -0.334 2.891 0.805 + 1051TIP3 OH237847 0.223 2.716 -0.578 + 1051TIP3 H137848 0.250 2.635 -0.626 + 1051TIP3 H237849 0.194 2.678 -0.493 + 1051TIP3 OH237850 0.141 2.655 -0.305 + 1051TIP3 H137851 0.162 2.608 -0.223 + 1051TIP3 H237852 0.132 2.747 -0.274 + 1051TIP3 OH237853 0.410 2.835 -0.242 + 1051TIP3 H137854 0.324 2.879 -0.227 + 1051TIP3 H237855 0.442 2.881 -0.321 + 1051TIP3 OH237856 0.372 1.878 0.885 + 1051TIP3 H137857 0.392 1.952 0.943 + 1051TIP3 H237858 0.449 1.821 0.896 + 1051TIP3 OH237859 0.127 2.935 -0.244 + 1051TIP3 H137860 0.119 3.017 -0.297 + 1051TIP3 H237861 0.112 2.968 -0.154 + 1051TIP3 OH237862 0.983 2.969 0.501 + 1051TIP3 H137863 0.967 3.052 0.451 + 1051TIP3 H237864 1.075 2.981 0.527 + 1051TIP3 OH237865 -0.371 2.790 0.043 + 1051TIP3 H137866 -0.466 2.793 0.023 + 1051TIP3 H237867 -0.335 2.806 -0.045 + 1052TIP3 OH237868 -0.426 3.059 1.143 + 1052TIP3 H137869 -0.368 3.031 1.216 + 1052TIP3 H237870 -0.464 2.974 1.114 + 1052TIP3 OH237871 0.043 2.966 1.321 + 1052TIP3 H137872 0.112 2.901 1.342 + 1052TIP3 H237873 0.021 2.939 1.230 + 1052TIP3 OH237874 0.448 2.888 -0.527 + 1052TIP3 H137875 0.373 2.826 -0.538 + 1052TIP3 H237876 0.520 2.836 -0.565 + 1052TIP3 OH237877 0.689 2.793 1.181 + 1052TIP3 H137878 0.651 2.711 1.216 + 1052TIP3 H237879 0.760 2.812 1.245 + 1052TIP3 OH237880 0.911 2.880 -0.518 + 1052TIP3 H137881 0.927 2.800 -0.465 + 1052TIP3 H237882 0.991 2.884 -0.573 + 1052TIP3 OH237883 -0.431 2.430 1.252 + 1052TIP3 H137884 -0.416 2.336 1.229 + 1052TIP3 H237885 -0.510 2.451 1.200 + 1052TIP3 OH237886 0.231 2.444 1.191 + 1052TIP3 H137887 0.205 2.474 1.103 + 1052TIP3 H237888 0.245 2.348 1.178 + 1052TIP3 OH237889 0.512 2.588 -0.581 + 1052TIP3 H137890 0.504 2.584 -0.485 + 1052TIP3 H237891 0.500 2.494 -0.605 + 1052TIP3 OH237892 0.767 2.405 0.929 + 1052TIP3 H137893 0.846 2.456 0.905 + 1052TIP3 H237894 0.697 2.472 0.926 + 1052TIP3 OH237895 -0.337 2.160 1.196 + 1052TIP3 H137896 -0.266 2.094 1.183 + 1052TIP3 H237897 -0.336 2.168 1.293 + 1053TIP3 OH237898 0.026 2.059 0.905 + 1053TIP3 H137899 -0.032 2.135 0.923 + 1053TIP3 H237900 0.084 2.095 0.835 + 1053TIP3 OH237901 0.552 2.319 1.272 + 1053TIP3 H137902 0.640 2.299 1.238 + 1053TIP3 H237903 0.525 2.233 1.307 + 1053TIP3 OH237904 1.141 2.320 -0.553 + 1053TIP3 H137905 1.122 2.283 -0.640 + 1053TIP3 H237906 1.137 2.416 -0.572 + 1053TIP3 OH237907 0.075 1.791 1.040 + 1053TIP3 H137908 0.058 1.717 0.980 + 1053TIP3 H237909 0.069 1.868 0.980 + 1053TIP3 OH237910 0.294 2.179 0.817 + 1053TIP3 H137911 0.366 2.169 0.753 + 1053TIP3 H237912 0.242 2.250 0.774 + 1053TIP3 OH237913 0.728 1.965 1.301 + 1053TIP3 H137914 0.746 1.870 1.298 + 1053TIP3 H237915 0.817 2.002 1.287 + 1053TIP3 OH237916 0.824 2.228 1.128 + 1053TIP3 H137917 0.788 2.289 1.061 + 1053TIP3 H237918 0.918 2.224 1.098 + 1053TIP3 OH237919 -0.108 1.954 1.203 + 1053TIP3 H137920 -0.168 1.878 1.204 + 1053TIP3 H237921 -0.030 1.918 1.157 + 1053TIP3 OH237922 0.327 1.805 1.185 + 1053TIP3 H137923 0.292 1.788 1.274 + 1053TIP3 H237924 0.245 1.798 1.132 + 1053TIP3 OH237925 0.586 1.731 1.058 + 1053TIP3 H137926 0.500 1.730 1.102 + 1053TIP3 H237927 0.635 1.660 1.103 + 1054TIP3 OH237928 0.749 1.527 1.251 + 1054TIP3 H137929 0.739 1.436 1.281 + 1054TIP3 H237930 0.731 1.579 1.331 + 1054TIP3 OH237931 -0.287 1.694 1.153 + 1054TIP3 H137932 -0.236 1.620 1.121 + 1054TIP3 H237933 -0.296 1.670 1.248 + 1054TIP3 OH237934 0.266 1.499 1.304 + 1054TIP3 H137935 0.268 1.447 1.223 + 1054TIP3 H237936 0.197 1.567 1.288 + 1054TIP3 OH237937 0.172 3.196 -0.374 + 1054TIP3 H137938 0.267 3.207 -0.362 + 1054TIP3 H237939 0.159 3.242 -0.458 + 1054TIP3 OH237940 -0.429 2.661 -0.458 + 1054TIP3 H137941 -0.368 2.651 -0.384 + 1054TIP3 H237942 -0.462 2.570 -0.470 + 1054TIP3 OH237943 -0.552 3.149 0.045 + 1054TIP3 H137944 -0.623 3.104 -0.003 + 1054TIP3 H237945 -0.531 3.083 0.114 + 1054TIP3 OH237946 -0.509 2.964 0.261 + 1054TIP3 H137947 -0.522 2.869 0.271 + 1054TIP3 H237948 -0.461 2.987 0.342 + 1054TIP3 OH237949 1.256 3.086 0.551 + 1054TIP3 H137950 1.271 3.082 0.647 + 1054TIP3 H237951 1.343 3.115 0.520 + 1054TIP3 OH237952 1.247 3.029 0.839 + 1054TIP3 H137953 1.193 2.955 0.804 + 1054TIP3 H237954 1.299 2.982 0.905 + 1054TIP3 OH237955 1.046 2.572 1.269 + 1054TIP3 H137956 0.957 2.578 1.308 + 1054TIP3 H237957 1.090 2.652 1.301 + 1055TIP3 OH237958 1.191 2.418 -0.120 + 1055TIP3 H137959 1.279 2.457 -0.105 + 1055TIP3 H237960 1.189 2.346 -0.055 + 1055TIP3 OH237961 1.205 2.507 0.538 + 1055TIP3 H137962 1.264 2.453 0.482 + 1055TIP3 H237963 1.219 2.596 0.503 + 1055TIP3 OH237964 1.077 2.803 0.760 + 1055TIP3 H137965 1.002 2.838 0.812 + 1055TIP3 H237966 1.031 2.763 0.684 + 1055TIP3 OH237967 1.264 2.194 -0.301 + 1055TIP3 H137968 1.202 2.206 -0.374 + 1055TIP3 H237969 1.240 2.265 -0.240 + 1055TIP3 OH237970 1.131 1.934 -0.488 + 1055TIP3 H137971 1.095 2.001 -0.545 + 1055TIP3 H237972 1.072 1.858 -0.499 + 1055TIP3 OH237973 1.039 2.041 0.177 + 1055TIP3 H137974 1.043 1.985 0.097 + 1055TIP3 H237975 0.961 2.095 0.167 + 1055TIP3 OH237976 1.091 2.265 1.054 + 1055TIP3 H137977 1.160 2.196 1.047 + 1055TIP3 H237978 1.137 2.343 1.020 + 1055TIP3 OH237979 1.247 2.051 1.158 + 1055TIP3 H137980 1.164 2.007 1.128 + 1055TIP3 H237981 1.312 1.982 1.135 + 1055TIP3 OH237982 1.350 1.419 1.281 + 1055TIP3 H137983 1.330 1.324 1.286 + 1055TIP3 H237984 1.289 1.452 1.216 + 1055TIP3 OH237985 0.943 3.094 0.131 + 1055TIP3 H137986 0.990 3.065 0.051 + 1055TIP3 H237987 1.016 3.124 0.187 + 1056TIP3 OH237988 -0.314 2.760 1.203 + 1056TIP3 H137989 -0.388 2.759 1.141 + 1056TIP3 H237990 -0.359 2.755 1.289 + 1056TIP3 OH237991 -0.033 2.858 0.771 + 1056TIP3 H137992 -0.062 2.944 0.736 + 1056TIP3 H237993 0.063 2.866 0.754 + 1056TIP3 OH237994 0.418 2.992 1.074 + 1056TIP3 H137995 0.434 2.971 1.168 + 1056TIP3 H237996 0.502 3.033 1.048 + 1056TIP3 OH237997 0.649 3.136 0.996 + 1056TIP3 H137998 0.716 3.070 0.973 + 1056TIP3 H237999 0.679 3.165 1.084 + 1056TIP3 OH238000 -0.293 3.155 0.805 + 1056TIP3 H138001 -0.354 3.216 0.760 + 1056TIP3 H238002 -0.328 3.157 0.895 + 1056TIP3 OH238003 -0.044 3.132 0.661 + 1056TIP3 H138004 -0.130 3.149 0.704 + 1056TIP3 H238005 -0.042 3.200 0.592 + 1056TIP3 OH238006 0.430 3.131 0.616 + 1056TIP3 H138007 0.391 3.176 0.538 + 1056TIP3 H238008 0.438 3.205 0.679 + 1056TIP3 OH238009 0.664 3.004 0.708 + 1056TIP3 H138010 0.579 3.038 0.674 + 1056TIP3 H238011 0.719 3.083 0.706 + 1056TIP3 OH238012 0.918 3.176 0.727 + 1056TIP3 H138013 0.913 3.271 0.704 + 1056TIP3 H238014 0.944 3.138 0.642 + 1056TIP3 OH238015 -0.339 3.031 0.496 + 1056TIP3 H138016 -0.346 2.980 0.580 + 1056TIP3 H238017 -0.261 2.987 0.455 + 1057TIP3 OH238018 -0.134 2.898 0.344 + 1057TIP3 H138019 -0.149 2.806 0.371 + 1057TIP3 H238020 -0.044 2.915 0.376 + 1057TIP3 OH238021 0.142 2.957 0.432 + 1057TIP3 H138022 0.162 2.864 0.410 + 1057TIP3 H238023 0.149 2.953 0.529 + 1057TIP3 OH238024 -0.381 2.958 -0.190 + 1057TIP3 H138025 -0.457 2.939 -0.247 + 1057TIP3 H238026 -0.394 3.052 -0.172 + 1057TIP3 OH238027 0.477 3.145 -0.367 + 1057TIP3 H138028 0.574 3.145 -0.370 + 1057TIP3 H238029 0.456 3.078 -0.434 + 1057TIP3 OH238030 1.126 3.046 -0.107 + 1057TIP3 H138031 1.104 2.961 -0.150 + 1057TIP3 H238032 1.124 3.106 -0.183 + 1057TIP3 OH238033 -0.094 1.378 1.252 + 1057TIP3 H138034 -0.019 1.334 1.210 + 1057TIP3 H238035 -0.141 1.304 1.292 + 1057TIP3 OH238036 -0.244 3.059 -0.498 + 1057TIP3 H138037 -0.274 3.078 -0.408 + 1057TIP3 H238038 -0.165 3.005 -0.482 + 1057TIP3 OH238039 1.077 2.924 1.130 + 1057TIP3 H138040 1.004 2.902 1.070 + 1057TIP3 H238041 1.058 3.017 1.151 + 1057TIP3 OH238042 2.497 2.294 0.148 + 1057TIP3 H138043 2.495 2.391 0.147 + 1057TIP3 H238044 2.427 2.271 0.085 + 1057TIP3 OH238045 2.368 2.241 0.453 + 1057TIP3 H138046 2.376 2.181 0.529 + 1057TIP3 H238047 2.358 2.177 0.381 + 1058TIP3 OH238048 1.625 2.196 0.621 + 1058TIP3 H138049 1.625 2.117 0.677 + 1058TIP3 H238050 1.702 2.243 0.655 + 1058TIP3 OH238051 2.749 2.510 0.283 + 1058TIP3 H138052 2.712 2.436 0.335 + 1058TIP3 H238053 2.779 2.569 0.353 + 1058TIP3 OH238054 1.725 2.649 0.453 + 1058TIP3 H138055 1.682 2.564 0.428 + 1058TIP3 H238056 1.788 2.615 0.518 + 1058TIP3 OH238057 1.468 2.240 0.218 + 1058TIP3 H138058 1.454 2.145 0.230 + 1058TIP3 H238059 1.530 2.240 0.145 + 1058TIP3 OH238060 2.453 3.042 0.339 + 1058TIP3 H138061 2.514 2.972 0.308 + 1058TIP3 H238062 2.431 3.011 0.428 + 1058TIP3 OH238063 2.220 2.495 0.490 + 1058TIP3 H138064 2.253 2.413 0.450 + 1058TIP3 H238065 2.295 2.516 0.547 + 1058TIP3 OH238066 3.098 1.635 0.576 + 1058TIP3 H138067 3.120 1.698 0.646 + 1058TIP3 H238068 3.154 1.667 0.503 + 1058TIP3 OH238069 2.576 1.908 0.561 + 1058TIP3 H138070 2.541 1.817 0.571 + 1058TIP3 H238071 2.553 1.922 0.468 + 1058TIP3 OH238072 2.659 1.734 0.089 + 1058TIP3 H138073 2.702 1.702 0.171 + 1058TIP3 H238074 2.728 1.789 0.050 + 1058TIP3 OH238075 1.611 1.985 0.348 + 1058TIP3 H138076 1.644 1.917 0.407 + 1058TIP3 H238077 1.571 1.936 0.275 + 1059TIP3 OH238078 2.067 2.135 0.267 + 1059TIP3 H138079 2.138 2.081 0.306 + 1059TIP3 H238080 2.017 2.067 0.218 + 1059TIP3 OH238081 3.172 1.777 0.821 + 1059TIP3 H138082 3.112 1.847 0.791 + 1059TIP3 H238083 3.144 1.769 0.914 + 1059TIP3 OH238084 2.469 2.566 0.025 + 1059TIP3 H138085 2.469 2.554 -0.071 + 1059TIP3 H238086 2.445 2.660 0.034 + 1059TIP3 OH238087 2.036 2.389 0.698 + 1059TIP3 H138088 1.958 2.443 0.722 + 1059TIP3 H238089 2.092 2.453 0.651 + 1059TIP3 OH238090 2.834 1.660 0.306 + 1059TIP3 H138091 2.786 1.597 0.361 + 1059TIP3 H238092 2.872 1.721 0.370 + 1059TIP3 OH238093 1.827 2.577 0.756 + 1059TIP3 H138094 1.823 2.674 0.747 + 1059TIP3 H238095 1.745 2.560 0.806 + 1059TIP3 OH238096 1.457 2.542 -0.146 + 1059TIP3 H138097 1.431 2.590 -0.227 + 1059TIP3 H238098 1.470 2.614 -0.081 + 1059TIP3 OH238099 2.806 2.689 0.532 + 1059TIP3 H138100 2.709 2.701 0.535 + 1059TIP3 H238101 2.834 2.776 0.496 + 1059TIP3 OH238102 2.824 1.580 0.679 + 1059TIP3 H138103 2.753 1.638 0.648 + 1059TIP3 H238104 2.895 1.597 0.615 + 1059TIP3 OH238105 2.115 1.331 0.355 + 1059TIP3 H138106 2.130 1.250 0.404 + 1059TIP3 H238107 2.068 1.389 0.416 + 1060TIP3 OH238108 2.633 2.883 0.183 + 1060TIP3 H138109 2.685 2.804 0.158 + 1060TIP3 H238110 2.703 2.952 0.179 + 1060TIP3 OH238111 2.775 2.671 0.054 + 1060TIP3 H138112 2.740 2.620 -0.020 + 1060TIP3 H238113 2.775 2.605 0.126 + 1060TIP3 OH238114 2.937 2.552 0.900 + 1060TIP3 H138115 2.924 2.487 0.829 + 1060TIP3 H238116 2.948 2.635 0.850 + 1060TIP3 OH238117 2.355 2.262 -0.132 + 1060TIP3 H138118 2.289 2.285 -0.198 + 1060TIP3 H238119 2.434 2.248 -0.188 + 1060TIP3 OH238120 2.391 2.060 -0.424 + 1060TIP3 H138121 2.462 2.091 -0.364 + 1060TIP3 H238122 2.443 2.005 -0.485 + 1060TIP3 OH238123 3.112 2.170 0.695 + 1060TIP3 H138124 3.039 2.234 0.703 + 1060TIP3 H238125 3.158 2.205 0.616 + 1060TIP3 OH238126 2.713 2.244 -0.020 + 1060TIP3 H138127 2.644 2.261 0.048 + 1060TIP3 H238128 2.771 2.183 0.029 + 1060TIP3 OH238129 2.698 2.099 0.861 + 1060TIP3 H138130 2.699 2.182 0.911 + 1060TIP3 H238131 2.631 2.122 0.795 + 1060TIP3 OH238132 1.906 2.360 0.146 + 1060TIP3 H138133 1.855 2.311 0.079 + 1060TIP3 H238134 1.956 2.287 0.188 + 1060TIP3 OH238135 1.926 2.206 0.503 + 1060TIP3 H138136 1.989 2.198 0.430 + 1060TIP3 H238137 1.975 2.261 0.568 + 1061TIP3 OH238138 2.522 2.752 0.562 + 1061TIP3 H138139 2.528 2.818 0.633 + 1061TIP3 H238140 2.503 2.669 0.609 + 1061TIP3 OH238141 2.016 2.635 0.986 + 1061TIP3 H138142 1.965 2.698 1.040 + 1061TIP3 H238143 1.950 2.605 0.922 + 1061TIP3 OH238144 2.605 2.190 -0.276 + 1061TIP3 H138145 2.655 2.214 -0.195 + 1061TIP3 H238146 2.656 2.238 -0.345 + 1061TIP3 OH238147 1.708 2.280 0.896 + 1061TIP3 H138148 1.710 2.327 0.982 + 1061TIP3 H238149 1.613 2.259 0.888 + 1061TIP3 OH238150 2.332 2.844 0.095 + 1061TIP3 H138151 2.404 2.874 0.153 + 1061TIP3 H238152 2.306 2.926 0.050 + 1061TIP3 OH238153 1.824 2.852 1.071 + 1061TIP3 H138154 1.811 2.851 0.974 + 1061TIP3 H238155 1.737 2.824 1.105 + 1061TIP3 OH238156 2.927 1.367 -0.335 + 1061TIP3 H138157 2.860 1.368 -0.267 + 1061TIP3 H238158 2.979 1.446 -0.315 + 1061TIP3 OH238159 1.766 2.194 -0.078 + 1061TIP3 H138160 1.742 2.261 -0.144 + 1061TIP3 H238161 1.707 2.121 -0.102 + 1061TIP3 OH238162 3.088 2.774 -0.467 + 1061TIP3 H138163 3.105 2.868 -0.450 + 1061TIP3 H238164 3.177 2.735 -0.453 + 1061TIP3 OH238165 1.372 2.460 0.778 + 1061TIP3 H138166 1.323 2.457 0.694 + 1061TIP3 H238167 1.383 2.364 0.796 + 1062TIP3 OH238168 1.375 2.760 0.471 + 1062TIP3 H138169 1.464 2.723 0.484 + 1062TIP3 H238170 1.366 2.814 0.550 + 1062TIP3 OH238171 3.214 2.815 1.052 + 1062TIP3 H138172 3.203 2.720 1.033 + 1062TIP3 H238173 3.123 2.838 1.081 + 1062TIP3 OH238174 2.278 2.739 0.930 + 1062TIP3 H138175 2.287 2.820 0.985 + 1062TIP3 H238176 2.189 2.707 0.956 + 1062TIP3 OH238177 2.309 3.115 -0.070 + 1062TIP3 H138178 2.308 3.126 -0.167 + 1062TIP3 H238179 2.311 3.208 -0.039 + 1062TIP3 OH238180 1.685 3.034 0.089 + 1062TIP3 H138181 1.702 2.986 0.173 + 1062TIP3 H238182 1.603 2.993 0.060 + 1062TIP3 OH238183 2.639 3.061 -0.353 + 1062TIP3 H138184 2.697 2.997 -0.398 + 1062TIP3 H238185 2.634 3.022 -0.263 + 1062TIP3 OH238186 2.577 3.001 -0.075 + 1062TIP3 H138187 2.483 3.020 -0.058 + 1062TIP3 H238188 2.598 2.936 -0.005 + 1062TIP3 OH238189 2.896 1.951 1.091 + 1062TIP3 H138190 2.838 1.989 1.023 + 1062TIP3 H238191 2.895 1.857 1.066 + 1062TIP3 OH238192 1.589 2.616 0.904 + 1062TIP3 H138193 1.617 2.570 0.986 + 1062TIP3 H238194 1.516 2.560 0.872 + 1062TIP3 OH238195 1.869 1.471 0.474 + 1062TIP3 H138196 1.780 1.439 0.456 + 1062TIP3 H238197 1.856 1.537 0.543 + 1063TIP3 OH238198 2.351 1.420 0.854 + 1063TIP3 H138199 2.394 1.353 0.911 + 1063TIP3 H238200 2.257 1.396 0.856 + 1063TIP3 OH238201 2.674 1.804 0.913 + 1063TIP3 H138202 2.599 1.783 0.972 + 1063TIP3 H238203 2.652 1.894 0.883 + 1063TIP3 OH238204 2.764 2.294 -0.479 + 1063TIP3 H138205 2.749 2.275 -0.574 + 1063TIP3 H238206 2.857 2.320 -0.483 + 1063TIP3 OH238207 2.285 1.651 -0.460 + 1063TIP3 H138208 2.266 1.665 -0.366 + 1063TIP3 H238209 2.277 1.555 -0.466 + 1063TIP3 OH238210 1.866 1.905 0.607 + 1063TIP3 H138211 1.803 1.923 0.679 + 1063TIP3 H238212 1.870 1.991 0.562 + 1063TIP3 OH238213 1.903 1.936 0.113 + 1063TIP3 H138214 1.807 1.944 0.098 + 1063TIP3 H238215 1.934 1.918 0.022 + 1063TIP3 OH238216 2.460 2.017 -0.008 + 1063TIP3 H138217 2.403 2.082 -0.052 + 1063TIP3 H238218 2.513 1.982 -0.081 + 1063TIP3 OH238219 2.368 2.027 1.125 + 1063TIP3 H138220 2.317 1.950 1.157 + 1063TIP3 H238221 2.456 2.011 1.163 + 1063TIP3 OH238222 2.549 1.966 0.264 + 1063TIP3 H138223 2.509 2.004 0.183 + 1063TIP3 H238224 2.537 1.870 0.245 + 1063TIP3 OH238225 1.629 1.939 0.805 + 1063TIP3 H138226 1.643 1.967 0.897 + 1063TIP3 H238227 1.564 1.867 0.814 + 1064TIP3 OH238228 1.430 1.742 -0.259 + 1064TIP3 H138229 1.499 1.795 -0.299 + 1064TIP3 H238230 1.375 1.806 -0.211 + 1064TIP3 OH238231 2.452 2.109 0.710 + 1064TIP3 H138232 2.494 2.035 0.660 + 1064TIP3 H238233 2.411 2.060 0.784 + 1064TIP3 OH238234 2.110 1.685 0.217 + 1064TIP3 H138235 2.060 1.729 0.287 + 1064TIP3 H238236 2.194 1.667 0.265 + 1064TIP3 OH238237 1.629 1.854 0.042 + 1064TIP3 H138238 1.544 1.902 0.023 + 1064TIP3 H238239 1.604 1.769 0.005 + 1064TIP3 OH238240 1.974 1.849 -0.142 + 1064TIP3 H138241 2.071 1.861 -0.137 + 1064TIP3 H238242 1.948 1.903 -0.220 + 1064TIP3 OH238243 1.843 1.993 -0.369 + 1064TIP3 H138244 1.774 1.960 -0.430 + 1064TIP3 H238245 1.916 2.011 -0.431 + 1064TIP3 OH238246 2.906 3.200 1.182 + 1064TIP3 H138247 2.927 3.245 1.099 + 1064TIP3 H238248 2.976 3.231 1.241 + 1064TIP3 OH238249 1.697 2.467 1.126 + 1064TIP3 H138250 1.764 2.471 1.197 + 1064TIP3 H238251 1.616 2.459 1.180 + 1064TIP3 OH238252 2.267 1.959 0.401 + 1064TIP3 H138253 2.330 1.899 0.356 + 1064TIP3 H238254 2.245 1.896 0.472 + 1064TIP3 OH238255 2.139 1.808 0.635 + 1064TIP3 H138256 2.066 1.871 0.635 + 1064TIP3 H238257 2.197 1.840 0.707 + 1065TIP3 OH238258 2.139 2.470 -0.150 + 1065TIP3 H138259 2.087 2.407 -0.204 + 1065TIP3 H238260 2.171 2.412 -0.079 + 1065TIP3 OH238261 2.902 2.364 0.684 + 1065TIP3 H138262 2.950 2.418 0.619 + 1065TIP3 H238263 2.816 2.351 0.639 + 1065TIP3 OH238264 2.589 1.725 -0.424 + 1065TIP3 H138265 2.492 1.723 -0.414 + 1065TIP3 H238266 2.614 1.795 -0.360 + 1065TIP3 OH238267 2.344 2.450 0.943 + 1065TIP3 H138268 2.314 2.414 1.028 + 1065TIP3 H238269 2.312 2.541 0.945 + 1065TIP3 OH238270 2.670 1.910 -0.223 + 1065TIP3 H138271 2.753 1.898 -0.174 + 1065TIP3 H238272 2.678 2.001 -0.256 + 1065TIP3 OH238273 1.700 2.380 0.384 + 1065TIP3 H138274 1.758 2.361 0.309 + 1065TIP3 H238275 1.694 2.293 0.427 + 1065TIP3 OH238276 2.419 2.583 -0.292 + 1065TIP3 H138277 2.389 2.671 -0.259 + 1065TIP3 H238278 2.345 2.527 -0.268 + 1065TIP3 OH238279 1.418 2.214 0.918 + 1065TIP3 H138280 1.429 2.162 1.001 + 1065TIP3 H238281 1.354 2.161 0.866 + 1065TIP3 OH238282 2.113 2.164 1.111 + 1065TIP3 H138283 2.085 2.139 1.021 + 1065TIP3 H238284 2.205 2.133 1.109 + 1065TIP3 OH238285 2.570 2.711 0.889 + 1065TIP3 H138286 2.473 2.715 0.884 + 1065TIP3 H238287 2.586 2.732 0.982 + 1066TIP3 OH238288 3.167 1.902 -0.264 + 1066TIP3 H138289 3.091 1.883 -0.324 + 1066TIP3 H238290 3.154 1.999 -0.256 + 1066TIP3 OH238291 3.168 2.517 1.047 + 1066TIP3 H138292 3.074 2.538 1.028 + 1066TIP3 H238293 3.201 2.498 0.957 + 1066TIP3 OH238294 2.940 2.772 -0.223 + 1066TIP3 H138295 2.925 2.692 -0.171 + 1066TIP3 H238296 2.996 2.741 -0.296 + 1066TIP3 OH238297 2.667 2.308 0.513 + 1066TIP3 H138298 2.574 2.290 0.491 + 1066TIP3 H238299 2.711 2.234 0.466 + 1066TIP3 OH238300 1.527 2.204 -0.419 + 1066TIP3 H138301 1.581 2.271 -0.373 + 1066TIP3 H238302 1.438 2.218 -0.380 + 1066TIP3 OH238303 2.132 2.910 0.713 + 1066TIP3 H138304 2.188 2.987 0.692 + 1066TIP3 H238305 2.190 2.860 0.773 + 1066TIP3 OH238306 1.979 2.969 0.060 + 1066TIP3 H138307 1.884 2.990 0.056 + 1066TIP3 H238308 2.017 3.057 0.075 + 1066TIP3 OH238309 2.470 2.488 0.673 + 1066TIP3 H138310 2.439 2.457 0.760 + 1066TIP3 H238311 2.540 2.424 0.652 + 1066TIP3 OH238312 2.686 2.615 -0.433 + 1066TIP3 H138313 2.730 2.572 -0.358 + 1066TIP3 H238314 2.593 2.600 -0.407 + 1066TIP3 OH238315 2.766 2.942 0.913 + 1066TIP3 H138316 2.690 2.895 0.872 + 1066TIP3 H238317 2.775 3.021 0.856 + 1067TIP3 OH238318 3.161 3.042 -0.380 + 1067TIP3 H138319 3.232 3.104 -0.404 + 1067TIP3 H238320 3.085 3.103 -0.383 + 1067TIP3 OH238321 2.784 2.479 -0.191 + 1067TIP3 H138322 2.759 2.402 -0.136 + 1067TIP3 H238323 2.881 2.474 -0.189 + 1067TIP3 OH238324 1.532 2.852 0.720 + 1067TIP3 H138325 1.552 2.760 0.746 + 1067TIP3 H238326 1.546 2.896 0.805 + 1067TIP3 OH238327 2.112 2.721 -0.578 + 1067TIP3 H138328 2.140 2.643 -0.628 + 1067TIP3 H238329 2.069 2.681 -0.501 + 1067TIP3 OH238330 2.002 2.673 -0.309 + 1067TIP3 H138331 2.049 2.617 -0.244 + 1067TIP3 H238332 2.016 2.763 -0.275 + 1067TIP3 OH238333 1.682 2.418 -0.262 + 1067TIP3 H138334 1.606 2.453 -0.212 + 1067TIP3 H238335 1.722 2.500 -0.295 + 1067TIP3 OH238336 2.444 1.694 0.758 + 1067TIP3 H138337 2.525 1.673 0.806 + 1067TIP3 H238338 2.404 1.606 0.746 + 1067TIP3 OH238339 2.490 1.668 -0.148 + 1067TIP3 H138340 2.563 1.669 -0.210 + 1067TIP3 H238341 2.536 1.669 -0.062 + 1067TIP3 OH238342 2.292 2.836 -0.239 + 1067TIP3 H138343 2.208 2.885 -0.229 + 1067TIP3 H238344 2.329 2.879 -0.318 + 1067TIP3 OH238345 2.232 1.816 -0.037 + 1067TIP3 H138346 2.326 1.840 -0.030 + 1067TIP3 H238347 2.216 1.778 0.051 + 1068TIP3 OH238348 2.287 1.899 0.870 + 1068TIP3 H138349 2.306 1.939 0.956 + 1068TIP3 H238350 2.343 1.818 0.870 + 1068TIP3 OH238351 2.013 2.942 -0.239 + 1068TIP3 H138352 2.004 3.020 -0.297 + 1068TIP3 H238353 1.997 2.980 -0.151 + 1068TIP3 OH238354 2.920 1.695 0.958 + 1068TIP3 H138355 2.824 1.715 0.948 + 1068TIP3 H238356 2.940 1.676 0.865 + 1068TIP3 OH238357 2.774 2.086 0.364 + 1068TIP3 H138358 2.688 2.046 0.334 + 1068TIP3 H238359 2.815 2.010 0.410 + 1068TIP3 OH238360 1.725 2.694 -0.389 + 1068TIP3 H138361 1.799 2.746 -0.353 + 1068TIP3 H238362 1.772 2.645 -0.458 + 1068TIP3 OH238363 1.564 1.934 -0.481 + 1068TIP3 H138364 1.552 2.023 -0.441 + 1068TIP3 H238365 1.474 1.902 -0.489 + 1068TIP3 OH238366 2.869 2.968 0.501 + 1068TIP3 H138367 2.853 3.050 0.451 + 1068TIP3 H238368 2.961 2.981 0.526 + 1068TIP3 OH238369 1.519 2.765 0.028 + 1068TIP3 H138370 1.441 2.817 0.052 + 1068TIP3 H238371 1.557 2.819 -0.044 + 1068TIP3 OH238372 1.460 3.059 1.142 + 1068TIP3 H138373 1.518 3.030 1.215 + 1068TIP3 H238374 1.421 2.973 1.115 + 1068TIP3 OH238375 1.929 2.967 1.320 + 1068TIP3 H138376 1.997 2.901 1.343 + 1068TIP3 H238377 1.906 2.938 1.230 + 1069TIP3 OH238378 2.335 2.889 -0.523 + 1069TIP3 H138379 2.260 2.827 -0.539 + 1069TIP3 H238380 2.407 2.839 -0.566 + 1069TIP3 OH238381 2.577 2.791 1.179 + 1069TIP3 H138382 2.537 2.711 1.216 + 1069TIP3 H238383 2.645 2.813 1.244 + 1069TIP3 OH238384 2.797 2.882 -0.517 + 1069TIP3 H138385 2.815 2.801 -0.467 + 1069TIP3 H238386 2.875 2.887 -0.576 + 1069TIP3 OH238387 1.456 2.423 1.254 + 1069TIP3 H138388 1.465 2.331 1.223 + 1069TIP3 H238389 1.379 2.452 1.203 + 1069TIP3 OH238390 1.877 2.466 -0.543 + 1069TIP3 H138391 1.890 2.402 -0.471 + 1069TIP3 H238392 1.962 2.458 -0.590 + 1069TIP3 OH238393 2.119 2.440 1.188 + 1069TIP3 H138394 2.088 2.471 1.102 + 1069TIP3 H238395 2.125 2.343 1.174 + 1069TIP3 OH238396 2.398 2.596 -0.582 + 1069TIP3 H138397 2.398 2.591 -0.485 + 1069TIP3 H238398 2.396 2.501 -0.605 + 1069TIP3 OH238399 2.655 2.402 0.928 + 1069TIP3 H138400 2.733 2.456 0.907 + 1069TIP3 H238401 2.584 2.468 0.925 + 1069TIP3 OH238402 1.546 2.138 1.168 + 1069TIP3 H138403 1.618 2.073 1.170 + 1069TIP3 H238404 1.533 2.154 1.263 + 1069TIP3 OH238405 1.995 2.273 -0.298 + 1069TIP3 H138406 1.927 2.222 -0.252 + 1069TIP3 H238407 2.020 2.210 -0.369 + 1070TIP3 OH238408 1.912 2.040 0.897 + 1070TIP3 H138409 1.858 2.114 0.927 + 1070TIP3 H238410 1.978 2.084 0.841 + 1070TIP3 OH238411 2.086 2.084 -0.482 + 1070TIP3 H138412 2.078 2.075 -0.579 + 1070TIP3 H238413 2.182 2.075 -0.470 + 1070TIP3 OH238414 2.438 2.320 1.272 + 1070TIP3 H138415 2.527 2.299 1.240 + 1070TIP3 H238416 2.411 2.235 1.310 + 1070TIP3 OH238417 3.032 2.312 -0.569 + 1070TIP3 H138418 3.035 2.277 -0.659 + 1070TIP3 H238419 3.028 2.408 -0.586 + 1070TIP3 OH238420 1.967 1.778 1.026 + 1070TIP3 H138421 1.968 1.709 0.958 + 1070TIP3 H238422 1.948 1.858 0.973 + 1070TIP3 OH238423 1.970 1.620 0.750 + 1070TIP3 H138424 2.041 1.672 0.707 + 1070TIP3 H238425 1.892 1.663 0.713 + 1070TIP3 OH238426 2.154 2.169 0.815 + 1070TIP3 H138427 2.237 2.155 0.767 + 1070TIP3 H238428 2.128 2.258 0.784 + 1070TIP3 OH238429 2.612 1.964 1.295 + 1070TIP3 H138430 2.632 1.869 1.302 + 1070TIP3 H238431 2.701 2.002 1.287 + 1070TIP3 OH238432 2.711 2.242 1.143 + 1070TIP3 H138433 2.674 2.302 1.074 + 1070TIP3 H238434 2.798 2.225 1.104 + 1070TIP3 OH238435 1.789 1.962 1.203 + 1070TIP3 H138436 1.730 1.884 1.205 + 1070TIP3 H238437 1.869 1.925 1.163 + 1071TIP3 OH238438 2.075 1.363 0.818 + 1071TIP3 H138439 2.043 1.454 0.795 + 1071TIP3 H238440 2.008 1.309 0.769 + 1071TIP3 OH238441 2.198 1.816 1.189 + 1071TIP3 H138442 2.161 1.792 1.276 + 1071TIP3 H238443 2.121 1.796 1.133 + 1071TIP3 OH238444 2.458 1.724 1.080 + 1071TIP3 H138445 2.365 1.723 1.110 + 1071TIP3 H238446 2.498 1.654 1.134 + 1071TIP3 OH238447 2.647 1.567 1.252 + 1071TIP3 H138448 2.621 1.474 1.261 + 1071TIP3 H238449 2.617 1.608 1.335 + 1071TIP3 OH238450 1.639 1.705 1.178 + 1071TIP3 H138451 1.638 1.627 1.121 + 1071TIP3 H238452 1.628 1.664 1.267 + 1071TIP3 OH238453 2.091 1.277 1.097 + 1071TIP3 H138454 2.168 1.219 1.095 + 1071TIP3 H238455 2.077 1.295 1.002 + 1071TIP3 OH238456 2.149 1.490 1.276 + 1071TIP3 H138457 2.126 1.426 1.206 + 1071TIP3 H238458 2.075 1.553 1.273 + 1071TIP3 OH238459 2.058 3.194 -0.374 + 1071TIP3 H138460 2.154 3.207 -0.364 + 1071TIP3 H238461 2.042 3.241 -0.457 + 1071TIP3 OH238462 1.447 2.637 -0.425 + 1071TIP3 H138463 1.543 2.654 -0.408 + 1071TIP3 H238464 1.450 2.557 -0.481 + 1071TIP3 OH238465 1.347 3.157 0.052 + 1071TIP3 H138466 1.275 3.118 -0.002 + 1071TIP3 H238467 1.358 3.087 0.121 + 1072TIP3 OH238468 1.387 2.958 0.250 + 1072TIP3 H138469 1.357 2.871 0.282 + 1072TIP3 H238470 1.419 2.994 0.334 + 1072TIP3 OH238471 3.140 3.085 0.552 + 1072TIP3 H138472 3.158 3.082 0.648 + 1072TIP3 H238473 3.226 3.114 0.518 + 1072TIP3 OH238474 3.131 3.029 0.840 + 1072TIP3 H138475 3.079 2.955 0.804 + 1072TIP3 H238476 3.187 2.982 0.904 + 1072TIP3 OH238477 2.931 2.572 1.269 + 1072TIP3 H138478 2.842 2.579 1.308 + 1072TIP3 H238479 2.976 2.652 1.300 + 1072TIP3 OH238480 3.069 2.461 -0.159 + 1072TIP3 H138481 3.160 2.495 -0.145 + 1072TIP3 H238482 3.064 2.397 -0.085 + 1072TIP3 OH238483 3.116 2.257 0.039 + 1072TIP3 H138484 3.048 2.202 0.083 + 1072TIP3 H238485 3.184 2.270 0.108 + 1072TIP3 OH238486 3.090 2.508 0.538 + 1072TIP3 H138487 3.151 2.459 0.481 + 1072TIP3 H238488 3.103 2.600 0.507 + 1072TIP3 OH238489 2.961 2.800 0.761 + 1072TIP3 H138490 2.888 2.840 0.812 + 1072TIP3 H238491 2.915 2.763 0.684 + 1072TIP3 OH238492 3.142 2.193 -0.301 + 1072TIP3 H138493 3.088 2.218 -0.378 + 1072TIP3 H238494 3.132 2.270 -0.244 + 1072TIP3 OH238495 2.980 1.953 -0.477 + 1072TIP3 H138496 2.986 2.017 -0.550 + 1072TIP3 H238497 2.947 1.875 -0.524 + 1073TIP3 OH238498 2.912 2.068 0.121 + 1073TIP3 H138499 2.899 1.973 0.106 + 1073TIP3 H238500 2.872 2.080 0.209 + 1073TIP3 OH238501 1.391 2.286 0.486 + 1073TIP3 H138502 1.416 2.286 0.392 + 1073TIP3 H238503 1.477 2.265 0.529 + 1073TIP3 OH238504 2.971 2.265 1.035 + 1073TIP3 H138505 3.044 2.202 1.052 + 1073TIP3 H238506 3.018 2.347 1.017 + 1073TIP3 OH238507 3.127 2.075 1.157 + 1073TIP3 H138508 3.047 2.022 1.134 + 1073TIP3 H238509 3.196 2.006 1.154 + 1073TIP3 OH238510 2.913 1.684 -0.552 + 1073TIP3 H138511 2.963 1.631 -0.489 + 1073TIP3 H238512 2.830 1.635 -0.561 + 1073TIP3 OH238513 2.907 1.819 -0.070 + 1073TIP3 H138514 2.922 1.722 -0.064 + 1073TIP3 H238515 2.990 1.849 -0.107 + 1073TIP3 OH238516 2.923 1.879 0.482 + 1073TIP3 H138517 3.020 1.893 0.484 + 1073TIP3 H238518 2.903 1.887 0.577 + 1073TIP3 OH238519 2.938 1.950 0.763 + 1073TIP3 H138520 2.852 1.985 0.792 + 1073TIP3 H238521 2.987 2.032 0.744 + 1073TIP3 OH238522 1.356 1.794 1.099 + 1073TIP3 H138523 1.449 1.770 1.115 + 1073TIP3 H238524 1.309 1.720 1.138 + 1073TIP3 OH238525 3.196 1.368 1.295 + 1073TIP3 H138526 3.234 1.298 1.238 + 1073TIP3 H238527 3.195 1.445 1.235 + 1074TIP3 OH238528 2.927 1.523 -0.072 + 1074TIP3 H138529 2.946 1.501 0.021 + 1074TIP3 H238530 2.839 1.483 -0.082 + 1074TIP3 OH238531 1.339 1.952 0.496 + 1074TIP3 H138532 1.382 1.942 0.411 + 1074TIP3 H238533 1.380 2.030 0.532 + 1074TIP3 OH238534 3.129 1.570 1.118 + 1074TIP3 H138535 3.042 1.614 1.123 + 1074TIP3 H238536 3.117 1.517 1.037 + 1074TIP3 OH238537 3.158 1.586 -0.381 + 1074TIP3 H138538 3.170 1.507 -0.437 + 1074TIP3 H238539 3.202 1.654 -0.432 + 1074TIP3 OH238540 2.829 3.087 0.133 + 1074TIP3 H138541 2.875 3.065 0.051 + 1074TIP3 H238542 2.900 3.128 0.185 + 1074TIP3 OH238543 1.570 2.766 1.204 + 1074TIP3 H138544 1.497 2.757 1.141 + 1074TIP3 H238545 1.526 2.753 1.289 + 1074TIP3 OH238546 1.855 2.856 0.768 + 1074TIP3 H138547 1.822 2.942 0.738 + 1074TIP3 H238548 1.951 2.870 0.756 + 1074TIP3 OH238549 2.305 2.989 1.073 + 1074TIP3 H138550 2.319 2.972 1.167 + 1074TIP3 H238551 2.389 3.034 1.048 + 1074TIP3 OH238552 2.534 3.135 0.996 + 1074TIP3 H138553 2.603 3.070 0.975 + 1074TIP3 H238554 2.564 3.166 1.084 + 1074TIP3 OH238555 3.017 1.394 0.914 + 1074TIP3 H138556 2.935 1.414 0.865 + 1074TIP3 H238557 3.037 1.304 0.880 + 1075TIP3 OH238558 1.592 3.154 0.804 + 1075TIP3 H138559 1.532 3.217 0.761 + 1075TIP3 H238560 1.559 3.158 0.895 + 1075TIP3 OH238561 1.840 3.130 0.657 + 1075TIP3 H138562 1.756 3.149 0.702 + 1075TIP3 H238563 1.845 3.202 0.591 + 1075TIP3 OH238564 2.314 3.131 0.616 + 1075TIP3 H138565 2.279 3.179 0.538 + 1075TIP3 H238566 2.325 3.205 0.680 + 1075TIP3 OH238567 2.549 3.003 0.706 + 1075TIP3 H138568 2.464 3.039 0.675 + 1075TIP3 H238569 2.605 3.082 0.707 + 1075TIP3 OH238570 2.802 3.176 0.727 + 1075TIP3 H138571 2.798 3.271 0.705 + 1075TIP3 H238572 2.830 3.139 0.641 + 1075TIP3 OH238573 1.550 3.034 0.500 + 1075TIP3 H138574 1.547 2.985 0.585 + 1075TIP3 H238575 1.626 2.991 0.457 + 1075TIP3 OH238576 1.756 2.903 0.336 + 1075TIP3 H138577 1.738 2.812 0.371 + 1075TIP3 H238578 1.841 2.925 0.378 + 1075TIP3 OH238579 2.023 2.944 0.437 + 1075TIP3 H138580 2.066 2.860 0.425 + 1075TIP3 H238581 2.035 2.957 0.533 + 1075TIP3 OH238582 2.854 1.347 0.409 + 1075TIP3 H138583 2.923 1.392 0.357 + 1075TIP3 H238584 2.773 1.362 0.355 + 1075TIP3 OH238585 3.056 1.462 0.178 + 1075TIP3 H138586 3.131 1.413 0.141 + 1075TIP3 H238587 3.092 1.549 0.200 + 1076TIP3 OH238588 2.625 1.354 0.251 + 1076TIP3 H138589 2.597 1.382 0.163 + 1076TIP3 H238590 2.573 1.274 0.262 + 1076TIP3 OH238591 1.495 2.960 -0.178 + 1076TIP3 H138592 1.431 2.948 -0.250 + 1076TIP3 H238593 1.493 3.056 -0.169 + 1076TIP3 OH238594 2.132 1.557 -0.200 + 1076TIP3 H138595 2.176 1.503 -0.134 + 1076TIP3 H238596 2.137 1.646 -0.162 + 1076TIP3 OH238597 2.361 3.142 -0.364 + 1076TIP3 H138598 2.458 3.146 -0.370 + 1076TIP3 H238599 2.342 3.078 -0.434 + 1076TIP3 OH238600 3.009 3.047 -0.107 + 1076TIP3 H138601 2.989 2.962 -0.151 + 1076TIP3 H238602 3.013 3.107 -0.183 + 1076TIP3 OH238603 1.576 1.418 1.060 + 1076TIP3 H138604 1.528 1.372 1.130 + 1076TIP3 H238605 1.667 1.415 1.093 + 1076TIP3 OH238606 1.826 1.374 1.235 + 1076TIP3 H138607 1.902 1.322 1.204 + 1076TIP3 H238608 1.780 1.309 1.293 + 1076TIP3 OH238609 1.639 3.057 -0.498 + 1076TIP3 H138610 1.615 3.083 -0.408 + 1076TIP3 H238611 1.714 2.998 -0.485 + 1076TIP3 OH238612 2.625 1.289 1.260 + 1076TIP3 H138613 2.634 1.252 1.350 + 1076TIP3 H238614 2.718 1.288 1.230 + 1076TIP3 OH238615 2.963 2.923 1.131 + 1076TIP3 H138616 2.889 2.903 1.070 + 1076TIP3 H238617 2.944 3.017 1.151 + 1077TIP3 OH238618 4.211 2.201 0.458 + 1077TIP3 H138619 4.291 2.227 0.509 + 1077TIP3 H238620 4.245 2.196 0.368 + 1077TIP3 OH238621 3.515 2.192 0.618 + 1077TIP3 H138622 3.513 2.118 0.681 + 1077TIP3 H238623 3.586 2.247 0.655 + 1077TIP3 OH238624 3.581 2.657 0.468 + 1077TIP3 H138625 3.557 2.565 0.443 + 1077TIP3 H238626 3.674 2.644 0.491 + 1077TIP3 OH238627 3.281 2.000 -0.007 + 1077TIP3 H138628 3.241 2.085 0.015 + 1077TIP3 H238629 3.203 1.944 -0.018 + 1077TIP3 OH238630 3.360 2.241 0.190 + 1077TIP3 H138631 3.376 2.160 0.243 + 1077TIP3 H238632 3.446 2.255 0.149 + 1077TIP3 OH238633 4.120 2.486 0.518 + 1077TIP3 H138634 4.145 2.411 0.462 + 1077TIP3 H238635 4.204 2.507 0.561 + 1077TIP3 OH238636 3.742 1.721 0.267 + 1077TIP3 H138637 3.759 1.806 0.223 + 1077TIP3 H238638 3.710 1.668 0.192 + 1077TIP3 OH238639 3.413 1.994 0.317 + 1077TIP3 H138640 3.474 1.947 0.377 + 1077TIP3 H238641 3.422 1.943 0.235 + 1077TIP3 OH238642 3.952 2.129 0.264 + 1077TIP3 H138643 4.027 2.077 0.300 + 1077TIP3 H238644 3.902 2.059 0.218 + 1077TIP3 OH238645 3.624 1.598 0.682 + 1077TIP3 H138646 3.584 1.649 0.610 + 1077TIP3 H238647 3.558 1.612 0.753 + 1078TIP3 OH238648 3.915 2.381 0.697 + 1078TIP3 H138649 3.843 2.442 0.722 + 1078TIP3 H238650 3.980 2.442 0.658 + 1078TIP3 OH238651 3.583 1.804 0.477 + 1078TIP3 H138652 3.648 1.861 0.523 + 1078TIP3 H238653 3.641 1.766 0.407 + 1078TIP3 OH238654 3.715 2.573 0.768 + 1078TIP3 H138655 3.713 2.665 0.736 + 1078TIP3 H238656 3.628 2.569 0.812 + 1078TIP3 OH238657 3.345 2.544 -0.144 + 1078TIP3 H138658 3.329 2.594 -0.226 + 1078TIP3 H238659 3.364 2.615 -0.079 + 1078TIP3 OH238660 4.044 1.346 0.397 + 1078TIP3 H138661 4.017 1.252 0.394 + 1078TIP3 H238662 3.963 1.388 0.434 + 1078TIP3 OH238663 4.273 2.228 -0.139 + 1078TIP3 H138664 4.202 2.295 -0.148 + 1078TIP3 H238665 4.329 2.253 -0.213 + 1078TIP3 OH238666 4.289 2.075 -0.422 + 1078TIP3 H138667 4.366 2.069 -0.364 + 1078TIP3 H238668 4.296 1.996 -0.476 + 1078TIP3 OH238669 3.757 2.317 0.157 + 1078TIP3 H138670 3.730 2.274 0.074 + 1078TIP3 H238671 3.824 2.254 0.191 + 1078TIP3 OH238672 3.897 2.657 0.432 + 1078TIP3 H138673 3.888 2.618 0.343 + 1078TIP3 H238674 3.977 2.612 0.465 + 1078TIP3 OH238675 3.815 2.201 0.503 + 1078TIP3 H138676 3.876 2.199 0.427 + 1078TIP3 H238677 3.858 2.266 0.562 + 1079TIP3 OH238678 3.904 2.635 0.987 + 1079TIP3 H138679 3.851 2.701 1.036 + 1079TIP3 H238680 3.840 2.608 0.918 + 1079TIP3 OH238681 3.595 2.270 0.900 + 1079TIP3 H138682 3.600 2.329 0.978 + 1079TIP3 H238683 3.498 2.258 0.892 + 1079TIP3 OH238684 4.249 2.842 0.076 + 1079TIP3 H138685 4.299 2.893 0.142 + 1079TIP3 H238686 4.200 2.912 0.030 + 1079TIP3 OH238687 3.711 2.852 1.070 + 1079TIP3 H138688 3.700 2.855 0.974 + 1079TIP3 H238689 3.623 2.823 1.101 + 1079TIP3 OH238690 3.654 2.191 -0.101 + 1079TIP3 H138691 3.632 2.273 -0.150 + 1079TIP3 H238692 3.573 2.140 -0.111 + 1079TIP3 OH238693 3.257 2.461 0.781 + 1079TIP3 H138694 3.211 2.460 0.695 + 1079TIP3 H238695 3.269 2.365 0.798 + 1079TIP3 OH238696 3.261 2.754 0.474 + 1079TIP3 H138697 3.354 2.725 0.479 + 1079TIP3 H238698 3.257 2.814 0.550 + 1079TIP3 OH238699 4.173 2.735 0.938 + 1079TIP3 H138700 4.180 2.824 0.975 + 1079TIP3 H238701 4.082 2.709 0.959 + 1079TIP3 OH238702 4.186 3.118 -0.072 + 1079TIP3 H138703 4.203 3.122 -0.167 + 1079TIP3 H238704 4.207 3.207 -0.041 + 1079TIP3 OH238705 3.574 3.033 0.091 + 1079TIP3 H138706 3.588 2.988 0.176 + 1079TIP3 H238707 3.491 2.993 0.061 + 1080TIP3 OH238708 3.474 2.616 0.907 + 1080TIP3 H138709 3.502 2.568 0.987 + 1080TIP3 H238710 3.401 2.561 0.872 + 1080TIP3 OH238711 3.797 1.462 0.481 + 1080TIP3 H138712 3.715 1.454 0.430 + 1080TIP3 H238713 3.773 1.536 0.540 + 1080TIP3 OH238714 4.233 1.398 0.909 + 1080TIP3 H138715 4.245 1.325 0.971 + 1080TIP3 H238716 4.142 1.380 0.877 + 1080TIP3 OH238717 4.232 1.679 -0.415 + 1080TIP3 H138718 4.168 1.658 -0.346 + 1080TIP3 H238719 4.206 1.615 -0.484 + 1080TIP3 OH238720 3.779 1.942 0.623 + 1080TIP3 H138721 3.719 1.954 0.699 + 1080TIP3 H238722 3.787 2.034 0.587 + 1080TIP3 OH238723 3.774 1.950 0.112 + 1080TIP3 H138724 3.678 1.939 0.095 + 1080TIP3 H238725 3.810 1.931 0.023 + 1080TIP3 OH238726 4.277 2.002 0.061 + 1080TIP3 H138727 4.263 2.095 0.038 + 1080TIP3 H238728 4.370 2.000 0.085 + 1080TIP3 OH238729 4.252 2.032 1.145 + 1080TIP3 H138730 4.195 1.952 1.158 + 1080TIP3 H238731 4.338 1.987 1.143 + 1080TIP3 OH238732 3.517 1.959 0.807 + 1080TIP3 H138733 3.542 1.989 0.895 + 1080TIP3 H238734 3.481 1.870 0.826 + 1080TIP3 OH238735 3.865 1.724 -0.535 + 1080TIP3 H138736 3.822 1.681 -0.458 + 1080TIP3 H238737 3.790 1.738 -0.595 + 1081TIP3 OH238738 3.211 1.720 0.167 + 1081TIP3 H138739 3.262 1.700 0.248 + 1081TIP3 H238740 3.251 1.665 0.098 + 1081TIP3 OH238741 4.350 2.084 0.749 + 1081TIP3 H138742 4.378 2.019 0.682 + 1081TIP3 H238743 4.272 2.040 0.785 + 1081TIP3 OH238744 4.048 1.689 0.215 + 1081TIP3 H138745 3.955 1.696 0.240 + 1081TIP3 H238746 4.090 1.708 0.300 + 1081TIP3 OH238747 3.513 1.837 0.073 + 1081TIP3 H138748 3.420 1.849 0.045 + 1081TIP3 H238749 3.535 1.747 0.040 + 1081TIP3 OH238750 3.874 1.862 -0.152 + 1081TIP3 H138751 3.970 1.870 -0.141 + 1081TIP3 H238752 3.855 1.926 -0.222 + 1081TIP3 OH238753 3.682 1.970 -0.389 + 1081TIP3 H138754 3.669 1.963 -0.486 + 1081TIP3 H238755 3.774 2.002 -0.393 + 1081TIP3 OH238756 3.582 2.462 1.124 + 1081TIP3 H138757 3.650 2.470 1.194 + 1081TIP3 H238758 3.502 2.460 1.179 + 1081TIP3 OH238759 4.138 1.923 0.358 + 1081TIP3 H138760 4.217 1.892 0.312 + 1081TIP3 H238761 4.163 1.911 0.451 + 1081TIP3 OH238762 3.679 1.603 0.011 + 1081TIP3 H138763 3.626 1.523 0.030 + 1081TIP3 H238764 3.762 1.565 -0.019 + 1081TIP3 OH238765 4.049 1.797 0.626 + 1081TIP3 H138766 3.980 1.863 0.611 + 1081TIP3 H238767 4.100 1.837 0.699 + 1082TIP3 OH238768 4.075 2.428 -0.184 + 1082TIP3 H138769 3.994 2.388 -0.222 + 1082TIP3 H238770 4.049 2.443 -0.090 + 1082TIP3 OH238771 4.207 2.433 0.938 + 1082TIP3 H138772 4.183 2.423 1.031 + 1082TIP3 H238773 4.213 2.529 0.927 + 1082TIP3 OH238774 3.577 2.385 0.392 + 1082TIP3 H138775 3.636 2.376 0.315 + 1082TIP3 H238776 3.591 2.300 0.437 + 1082TIP3 OH238777 4.287 2.575 -0.289 + 1082TIP3 H138778 4.260 2.664 -0.260 + 1082TIP3 H238779 4.211 2.522 -0.256 + 1082TIP3 OH238780 3.305 2.214 0.919 + 1082TIP3 H138781 3.320 2.169 1.005 + 1082TIP3 H238782 3.243 2.154 0.874 + 1082TIP3 OH238783 4.002 2.164 1.122 + 1082TIP3 H138784 3.966 2.134 1.036 + 1082TIP3 H238785 4.096 2.139 1.112 + 1082TIP3 OH238786 3.815 2.715 0.119 + 1082TIP3 H138787 3.858 2.801 0.107 + 1082TIP3 H238788 3.724 2.735 0.095 + 1082TIP3 OH238789 3.414 2.152 -0.395 + 1082TIP3 H138790 3.476 2.228 -0.392 + 1082TIP3 H238791 3.328 2.199 -0.394 + 1082TIP3 OH238792 3.994 2.482 0.078 + 1082TIP3 H138793 3.970 2.575 0.095 + 1082TIP3 H238794 3.923 2.436 0.123 + 1082TIP3 OH238795 4.020 2.914 0.720 + 1082TIP3 H138796 4.077 2.985 0.686 + 1082TIP3 H238797 4.084 2.861 0.770 + 1083TIP3 OH238798 3.860 3.004 0.042 + 1083TIP3 H138799 3.764 3.022 0.049 + 1083TIP3 H238800 3.897 3.092 0.064 + 1083TIP3 OH238801 3.435 1.679 0.882 + 1083TIP3 H138802 3.345 1.705 0.855 + 1083TIP3 H238803 3.420 1.591 0.921 + 1083TIP3 OH238804 3.412 2.854 0.721 + 1083TIP3 H138805 3.441 2.763 0.737 + 1083TIP3 H238806 3.435 2.895 0.805 + 1083TIP3 OH238807 3.995 2.724 -0.577 + 1083TIP3 H138808 4.029 2.647 -0.627 + 1083TIP3 H238809 3.956 2.680 -0.499 + 1083TIP3 OH238810 3.888 2.667 -0.301 + 1083TIP3 H138811 3.935 2.620 -0.232 + 1083TIP3 H238812 3.898 2.760 -0.274 + 1083TIP3 OH238813 3.565 2.409 -0.266 + 1083TIP3 H138814 3.490 2.450 -0.220 + 1083TIP3 H238815 3.611 2.488 -0.301 + 1083TIP3 OH238816 4.337 1.706 0.791 + 1083TIP3 H138817 4.387 1.628 0.813 + 1083TIP3 H238818 4.275 1.671 0.725 + 1083TIP3 OH238819 4.168 2.832 -0.251 + 1083TIP3 H138820 4.089 2.883 -0.228 + 1083TIP3 H238821 4.211 2.891 -0.315 + 1083TIP3 OH238822 4.138 1.797 -0.043 + 1083TIP3 H138823 4.200 1.867 -0.015 + 1083TIP3 H238824 4.102 1.774 0.045 + 1083TIP3 OH238825 4.163 1.892 0.876 + 1083TIP3 H138826 4.185 1.945 0.954 + 1083TIP3 H238827 4.234 1.826 0.873 + 1084TIP3 OH238828 4.194 1.503 0.075 + 1084TIP3 H138829 4.165 1.581 0.127 + 1084TIP3 H238830 4.271 1.538 0.026 + 1084TIP3 OH238831 3.894 2.939 -0.244 + 1084TIP3 H138832 3.891 3.020 -0.300 + 1084TIP3 H238833 3.882 2.976 -0.155 + 1084TIP3 OH238834 3.768 1.611 -0.298 + 1084TIP3 H138835 3.781 1.686 -0.237 + 1084TIP3 H238836 3.845 1.555 -0.277 + 1084TIP3 OH238837 3.610 2.694 -0.388 + 1084TIP3 H138838 3.682 2.747 -0.350 + 1084TIP3 H238839 3.660 2.647 -0.457 + 1084TIP3 OH238840 3.514 1.418 0.400 + 1084TIP3 H138841 3.497 1.413 0.304 + 1084TIP3 H238842 3.483 1.331 0.431 + 1084TIP3 OH238843 3.405 2.767 0.029 + 1084TIP3 H138844 3.327 2.820 0.052 + 1084TIP3 H238845 3.443 2.819 -0.043 + 1084TIP3 OH238846 3.346 3.059 1.142 + 1084TIP3 H138847 3.403 3.030 1.216 + 1084TIP3 H238848 3.307 2.974 1.114 + 1084TIP3 OH238849 3.815 2.965 1.321 + 1084TIP3 H138850 3.882 2.898 1.342 + 1084TIP3 H238851 3.790 2.939 1.231 + 1084TIP3 OH238852 4.231 2.888 -0.547 + 1084TIP3 H138853 4.147 2.838 -0.545 + 1084TIP3 H238854 4.293 2.814 -0.560 + 1084TIP3 OH238855 3.341 2.422 1.255 + 1084TIP3 H138856 3.350 2.331 1.221 + 1084TIP3 H238857 3.264 2.452 1.204 + 1085TIP3 OH238858 3.762 2.466 -0.543 + 1085TIP3 H138859 3.781 2.405 -0.469 + 1085TIP3 H238860 3.846 2.462 -0.591 + 1085TIP3 OH238861 4.008 2.443 1.187 + 1085TIP3 H138862 3.978 2.475 1.100 + 1085TIP3 H238863 4.015 2.346 1.173 + 1085TIP3 OH238864 4.262 2.596 -0.589 + 1085TIP3 H138865 4.277 2.607 -0.493 + 1085TIP3 H238866 4.243 2.501 -0.595 + 1085TIP3 OH238867 3.428 2.136 1.172 + 1085TIP3 H138868 3.500 2.071 1.173 + 1085TIP3 H238869 3.422 2.157 1.266 + 1085TIP3 OH238870 3.868 2.272 -0.314 + 1085TIP3 H138871 3.812 2.221 -0.253 + 1085TIP3 H238872 3.905 2.203 -0.373 + 1085TIP3 OH238873 3.796 2.052 0.919 + 1085TIP3 H138874 3.739 2.130 0.934 + 1085TIP3 H238875 3.852 2.084 0.846 + 1085TIP3 OH238876 3.977 2.074 -0.477 + 1085TIP3 H138877 3.967 2.076 -0.574 + 1085TIP3 H238878 4.074 2.083 -0.469 + 1085TIP3 OH238879 4.284 2.299 1.287 + 1085TIP3 H138880 4.354 2.267 1.229 + 1085TIP3 H238881 4.267 2.217 1.338 + 1085TIP3 OH238882 3.856 1.780 1.032 + 1085TIP3 H138883 3.862 1.714 0.960 + 1085TIP3 H238884 3.839 1.861 0.981 + 1085TIP3 OH238885 3.886 1.624 0.774 + 1085TIP3 H138886 3.937 1.681 0.712 + 1085TIP3 H238887 3.795 1.628 0.738 + 1086TIP3 OH238888 4.066 2.163 0.805 + 1086TIP3 H138889 4.135 2.163 0.738 + 1086TIP3 H238890 4.029 2.252 0.793 + 1086TIP3 OH238891 3.676 1.960 1.212 + 1086TIP3 H138892 3.621 1.880 1.208 + 1086TIP3 H238893 3.754 1.932 1.162 + 1086TIP3 OH238894 3.970 1.362 0.812 + 1086TIP3 H138895 3.947 1.456 0.793 + 1086TIP3 H238896 3.906 1.315 0.755 + 1086TIP3 OH238897 4.102 1.807 1.185 + 1086TIP3 H138898 4.064 1.782 1.270 + 1086TIP3 H238899 4.029 1.785 1.125 + 1086TIP3 OH238900 3.541 1.708 1.192 + 1086TIP3 H138901 3.531 1.638 1.125 + 1086TIP3 H238902 3.516 1.661 1.274 + 1086TIP3 OH238903 3.945 1.307 1.093 + 1086TIP3 H138904 4.006 1.233 1.095 + 1086TIP3 H238905 3.940 1.324 0.997 + 1086TIP3 OH238906 4.034 1.487 1.289 + 1086TIP3 H138907 4.009 1.433 1.211 + 1086TIP3 H238908 3.973 1.562 1.283 + 1086TIP3 OH238909 3.957 3.191 -0.373 + 1086TIP3 H138910 4.053 3.205 -0.368 + 1086TIP3 H238911 3.935 3.244 -0.451 + 1086TIP3 OH238912 3.334 2.636 -0.418 + 1086TIP3 H138913 3.430 2.657 -0.408 + 1086TIP3 H238914 3.336 2.559 -0.479 + 1086TIP3 OH238915 3.232 3.156 0.053 + 1086TIP3 H138916 3.161 3.118 -0.002 + 1086TIP3 H238917 3.243 3.087 0.121 + 1087TIP3 OH238918 3.272 2.958 0.251 + 1087TIP3 H138919 3.243 2.871 0.283 + 1087TIP3 H238920 3.307 2.994 0.334 + 1087TIP3 OH238921 3.280 2.292 0.491 + 1087TIP3 H138922 3.306 2.299 0.398 + 1087TIP3 H238923 3.367 2.271 0.532 + 1087TIP3 OH238924 3.273 1.829 1.134 + 1087TIP3 H138925 3.366 1.800 1.134 + 1087TIP3 H238926 3.227 1.743 1.138 + 1087TIP3 OH238927 3.349 1.660 0.409 + 1087TIP3 H138928 3.394 1.574 0.421 + 1087TIP3 H238929 3.414 1.721 0.448 + 1087TIP3 OH238930 3.205 1.928 0.518 + 1087TIP3 H138931 3.260 1.926 0.438 + 1087TIP3 H238932 3.240 2.007 0.563 + 1087TIP3 OH238933 3.245 1.592 -0.090 + 1087TIP3 H138934 3.151 1.570 -0.096 + 1087TIP3 H238935 3.261 1.627 -0.179 + 1087TIP3 OH238936 3.257 1.452 0.738 + 1087TIP3 H138937 3.185 1.424 0.797 + 1087TIP3 H238938 3.207 1.503 0.672 + 1087TIP3 OH238939 3.456 2.761 1.205 + 1087TIP3 H138940 3.384 2.757 1.140 + 1087TIP3 H238941 3.408 2.756 1.289 + 1087TIP3 OH238942 3.740 2.860 0.772 + 1087TIP3 H138943 3.710 2.945 0.736 + 1087TIP3 H238944 3.836 2.868 0.755 + 1087TIP3 OH238945 4.219 3.022 1.061 + 1087TIP3 H138946 4.205 2.985 1.150 + 1087TIP3 H238947 4.314 3.044 1.067 + 1088TIP3 OH238948 3.477 3.154 0.805 + 1088TIP3 H138949 3.418 3.217 0.760 + 1088TIP3 H238950 3.442 3.158 0.895 + 1088TIP3 OH238951 3.729 3.132 0.662 + 1088TIP3 H138952 3.644 3.152 0.706 + 1088TIP3 H238953 3.733 3.201 0.593 + 1088TIP3 OH238954 4.196 3.109 0.618 + 1088TIP3 H138955 4.179 3.156 0.535 + 1088TIP3 H238956 4.258 3.168 0.662 + 1088TIP3 OH238957 3.434 3.033 0.499 + 1088TIP3 H138958 3.434 2.984 0.585 + 1088TIP3 H238959 3.511 2.990 0.455 + 1088TIP3 OH238960 3.636 2.910 0.344 + 1088TIP3 H138961 3.622 2.816 0.370 + 1088TIP3 H238962 3.728 2.925 0.374 + 1088TIP3 OH238963 3.912 2.957 0.432 + 1088TIP3 H138964 3.934 2.866 0.409 + 1088TIP3 H238965 3.921 2.955 0.529 + 1088TIP3 OH238966 4.265 1.513 0.364 + 1088TIP3 H138967 4.182 1.465 0.378 + 1088TIP3 H238968 4.297 1.472 0.283 + 1088TIP3 OH238969 3.481 1.412 0.113 + 1088TIP3 H138970 3.394 1.394 0.073 + 1088TIP3 H238971 3.523 1.324 0.104 + 1088TIP3 OH238972 3.358 1.360 -0.290 + 1088TIP3 H138973 3.407 1.424 -0.345 + 1088TIP3 H238974 3.311 1.417 -0.228 + 1088TIP3 OH238975 3.929 1.404 0.107 + 1088TIP3 H138976 4.023 1.427 0.096 + 1088TIP3 H238977 3.927 1.387 0.202 + 1089TIP3 OH238978 3.379 2.961 -0.175 + 1089TIP3 H138979 3.318 2.948 -0.250 + 1089TIP3 H238980 3.380 3.057 -0.171 + 1089TIP3 OH238981 3.529 1.559 -0.433 + 1089TIP3 H138982 3.573 1.499 -0.496 + 1089TIP3 H238983 3.605 1.578 -0.374 + 1089TIP3 OH238984 4.067 1.568 -0.194 + 1089TIP3 H138985 4.067 1.503 -0.122 + 1089TIP3 H238986 4.062 1.652 -0.145 + 1089TIP3 OH238987 4.266 3.121 -0.366 + 1089TIP3 H138988 4.352 3.161 -0.387 + 1089TIP3 H238989 4.247 3.068 -0.445 + 1089TIP3 OH238990 3.460 1.440 1.073 + 1089TIP3 H138991 3.420 1.358 1.106 + 1089TIP3 H238992 3.553 1.426 1.096 + 1089TIP3 OH238993 3.701 1.378 1.247 + 1089TIP3 H138994 3.783 1.344 1.206 + 1089TIP3 H238995 3.663 1.297 1.285 + 1089TIP3 OH238996 3.520 3.051 -0.498 + 1089TIP3 H138997 3.501 3.087 -0.410 + 1089TIP3 H238998 3.601 2.999 -0.484 + 1089TIP3 OH238999 -3.158 4.203 0.124 + 1089TIP3 H139000 -3.188 4.295 0.128 + 1089TIP3 H239001 -3.233 4.161 0.080 + 1089TIP3 OH239002 -3.278 4.132 0.453 + 1089TIP3 H139003 -3.275 4.080 0.535 + 1089TIP3 H239004 -3.304 4.067 0.387 + 1089TIP3 OH239005 -4.021 4.074 0.610 + 1089TIP3 H139006 -4.033 4.006 0.678 + 1089TIP3 H239007 -3.966 4.138 0.658 + 1090TIP3 OH239008 -4.177 3.970 -0.076 + 1090TIP3 H139009 -4.226 4.033 -0.019 + 1090TIP3 H239010 -4.219 3.888 -0.049 + 1090TIP3 OH239011 -4.198 4.127 0.174 + 1090TIP3 H139012 -4.197 4.055 0.239 + 1090TIP3 H239013 -4.103 4.139 0.161 + 1090TIP3 OH239014 -2.553 3.522 0.569 + 1090TIP3 H139015 -2.536 3.582 0.643 + 1090TIP3 H239016 -2.495 3.559 0.501 + 1090TIP3 OH239017 -3.095 3.803 0.560 + 1090TIP3 H139018 -3.082 3.707 0.563 + 1090TIP3 H239019 -3.105 3.818 0.465 + 1090TIP3 OH239020 -3.798 3.605 0.266 + 1090TIP3 H139021 -3.786 3.691 0.221 + 1090TIP3 H239022 -3.834 3.552 0.192 + 1090TIP3 OH239023 -3.014 3.622 0.098 + 1090TIP3 H139024 -2.955 3.580 0.164 + 1090TIP3 H239025 -2.949 3.668 0.043 + 1090TIP3 OH239026 -4.142 3.880 0.319 + 1090TIP3 H139027 -4.081 3.841 0.383 + 1090TIP3 H239028 -4.123 3.827 0.240 + 1090TIP3 OH239029 -3.589 4.018 0.264 + 1090TIP3 H139030 -3.522 3.959 0.305 + 1090TIP3 H239031 -3.645 3.953 0.217 + 1090TIP3 OH239032 -2.489 3.657 0.819 + 1090TIP3 H139033 -2.545 3.732 0.790 + 1090TIP3 H239034 -2.501 3.662 0.915 + 1090TIP3 OH239035 -3.919 3.487 0.684 + 1090TIP3 H139036 -3.963 3.532 0.610 + 1090TIP3 H239037 -3.982 3.505 0.756 + 1091TIP3 OH239038 -3.647 4.267 0.663 + 1091TIP3 H139039 -3.727 4.321 0.665 + 1091TIP3 H239040 -3.581 4.336 0.651 + 1091TIP3 OH239041 -2.829 3.545 0.302 + 1091TIP3 H139042 -2.872 3.488 0.367 + 1091TIP3 H239043 -2.780 3.607 0.359 + 1091TIP3 OH239044 -3.957 3.690 0.475 + 1091TIP3 H139045 -3.894 3.750 0.520 + 1091TIP3 H239046 -3.899 3.654 0.404 + 1091TIP3 OH239047 -2.816 3.461 0.685 + 1091TIP3 H139048 -2.894 3.501 0.642 + 1091TIP3 H239049 -2.745 3.480 0.621 + 1091TIP3 OH239050 -3.505 3.233 0.392 + 1091TIP3 H139051 -3.529 3.139 0.386 + 1091TIP3 H239052 -3.588 3.272 0.428 + 1091TIP3 OH239053 -3.308 4.143 -0.134 + 1091TIP3 H139054 -3.373 4.178 -0.197 + 1091TIP3 H239055 -3.231 4.134 -0.193 + 1091TIP3 OH239056 -3.266 3.941 -0.415 + 1091TIP3 H139057 -3.194 3.979 -0.363 + 1091TIP3 H239058 -3.217 3.892 -0.483 + 1091TIP3 OH239059 -2.551 4.056 0.695 + 1091TIP3 H139060 -2.620 4.125 0.706 + 1091TIP3 H239061 -2.501 4.094 0.619 + 1091TIP3 OH239062 -2.935 4.140 -0.034 + 1091TIP3 H139063 -3.001 4.163 0.035 + 1091TIP3 H239064 -2.870 4.089 0.018 + 1091TIP3 OH239065 -2.964 3.979 0.859 + 1091TIP3 H139066 -2.958 4.055 0.919 + 1091TIP3 H239067 -3.017 4.020 0.788 + 1092TIP3 OH239068 -3.770 4.217 0.156 + 1092TIP3 H139069 -3.800 4.183 0.070 + 1092TIP3 H239070 -3.702 4.152 0.181 + 1092TIP3 OH239071 -3.730 4.074 0.497 + 1092TIP3 H139072 -3.669 4.077 0.420 + 1092TIP3 H239073 -3.695 4.145 0.555 + 1092TIP3 OH239074 -3.055 4.074 -0.269 + 1092TIP3 H139075 -2.998 4.101 -0.194 + 1092TIP3 H239076 -3.009 4.119 -0.345 + 1092TIP3 OH239077 -3.958 4.142 0.898 + 1092TIP3 H139078 -3.949 4.201 0.977 + 1092TIP3 H239079 -4.046 4.170 0.868 + 1092TIP3 OH239080 -2.705 3.246 -0.327 + 1092TIP3 H139081 -2.792 3.256 -0.285 + 1092TIP3 H239082 -2.670 3.336 -0.322 + 1092TIP3 OH239083 -3.894 4.084 -0.092 + 1092TIP3 H139084 -3.914 4.163 -0.147 + 1092TIP3 H239085 -3.972 4.029 -0.109 + 1092TIP3 OH239086 -4.201 4.276 0.779 + 1092TIP3 H139087 -4.252 4.313 0.706 + 1092TIP3 H239088 -4.268 4.244 0.841 + 1092TIP3 OH239089 -2.771 3.834 1.096 + 1092TIP3 H139090 -2.813 3.878 1.020 + 1092TIP3 H239091 -2.761 3.743 1.063 + 1092TIP3 OH239092 -3.748 3.348 0.482 + 1092TIP3 H139093 -3.831 3.339 0.431 + 1092TIP3 H239094 -3.771 3.422 0.540 + 1092TIP3 OH239095 -3.311 3.306 0.848 + 1092TIP3 H139096 -3.259 3.252 0.911 + 1092TIP3 H239097 -3.401 3.272 0.859 + 1093TIP3 OH239098 -2.994 3.685 0.898 + 1093TIP3 H139099 -3.055 3.671 0.972 + 1093TIP3 H239100 -3.000 3.781 0.881 + 1093TIP3 OH239101 -2.915 4.175 -0.475 + 1093TIP3 H139102 -2.921 4.159 -0.571 + 1093TIP3 H239103 -2.827 4.215 -0.468 + 1093TIP3 OH239104 -3.329 3.556 -0.426 + 1093TIP3 H139105 -3.380 3.545 -0.345 + 1093TIP3 H239106 -3.371 3.490 -0.483 + 1093TIP3 OH239107 -3.759 3.827 0.626 + 1093TIP3 H139108 -3.825 3.839 0.697 + 1093TIP3 H239109 -3.755 3.917 0.587 + 1093TIP3 OH239110 -3.769 3.833 0.111 + 1093TIP3 H139111 -3.865 3.831 0.093 + 1093TIP3 H239112 -3.735 3.818 0.021 + 1093TIP3 OH239113 -3.207 3.898 -0.009 + 1093TIP3 H139114 -3.253 3.975 -0.048 + 1093TIP3 H239115 -3.140 3.879 -0.077 + 1093TIP3 OH239116 -3.284 3.918 1.134 + 1093TIP3 H139117 -3.337 3.842 1.165 + 1093TIP3 H239118 -3.197 3.901 1.172 + 1093TIP3 OH239119 -3.123 3.830 0.266 + 1093TIP3 H139120 -3.151 3.886 0.190 + 1093TIP3 H239121 -3.099 3.749 0.218 + 1093TIP3 OH239122 -4.023 3.842 0.806 + 1093TIP3 H139123 -3.999 3.885 0.889 + 1093TIP3 H239124 -4.052 3.754 0.836 + 1093TIP3 OH239125 -3.686 3.600 -0.534 + 1093TIP3 H139126 -3.725 3.564 -0.452 + 1093TIP3 H239127 -3.764 3.619 -0.588 + 1094TIP3 OH239128 -4.318 3.602 0.174 + 1094TIP3 H139129 -4.305 3.575 0.267 + 1094TIP3 H239130 -4.282 3.528 0.125 + 1094TIP3 OH239131 -4.213 3.660 -0.239 + 1094TIP3 H139132 -4.152 3.677 -0.312 + 1094TIP3 H239133 -4.298 3.685 -0.280 + 1094TIP3 OH239134 -3.226 3.996 0.708 + 1094TIP3 H139135 -3.170 3.931 0.661 + 1094TIP3 H239136 -3.250 3.947 0.788 + 1094TIP3 OH239137 -3.490 3.593 0.215 + 1094TIP3 H139138 -3.585 3.591 0.237 + 1094TIP3 H239139 -3.450 3.576 0.302 + 1094TIP3 OH239140 -4.038 3.718 0.079 + 1094TIP3 H139141 -4.120 3.726 0.030 + 1094TIP3 H239142 -4.001 3.635 0.042 + 1094TIP3 OH239143 -3.671 3.747 -0.152 + 1094TIP3 H139144 -3.574 3.760 -0.147 + 1094TIP3 H239145 -3.698 3.810 -0.222 + 1094TIP3 OH239146 -3.051 3.507 0.516 + 1094TIP3 H139147 -3.115 3.508 0.590 + 1094TIP3 H239148 -3.109 3.473 0.445 + 1094TIP3 OH239149 -3.825 3.875 -0.374 + 1094TIP3 H139150 -3.883 3.845 -0.445 + 1094TIP3 H239151 -3.743 3.896 -0.422 + 1094TIP3 OH239152 -3.956 4.305 1.113 + 1094TIP3 H139153 -3.889 4.356 1.163 + 1094TIP3 H239154 -4.035 4.322 1.168 + 1094TIP3 OH239155 -3.391 3.848 0.396 + 1094TIP3 H139156 -3.314 3.808 0.352 + 1094TIP3 H239157 -3.404 3.789 0.472 + 1095TIP3 OH239158 -3.873 3.484 0.022 + 1095TIP3 H139159 -3.917 3.398 0.025 + 1095TIP3 H239160 -3.792 3.463 -0.028 + 1095TIP3 OH239161 -3.492 3.694 0.621 + 1095TIP3 H139162 -3.570 3.753 0.621 + 1095TIP3 H239163 -3.443 3.721 0.701 + 1095TIP3 OH239164 -3.524 4.366 -0.162 + 1095TIP3 H139165 -3.560 4.300 -0.225 + 1095TIP3 H239166 -3.467 4.315 -0.104 + 1095TIP3 OH239167 -2.727 4.265 0.676 + 1095TIP3 H139168 -2.706 4.313 0.594 + 1095TIP3 H239169 -2.823 4.255 0.663 + 1095TIP3 OH239170 -3.061 3.616 -0.413 + 1095TIP3 H139171 -3.160 3.614 -0.417 + 1095TIP3 H239172 -3.043 3.689 -0.350 + 1095TIP3 OH239173 -2.994 3.798 -0.204 + 1095TIP3 H139174 -2.905 3.782 -0.167 + 1095TIP3 H239175 -2.984 3.885 -0.246 + 1095TIP3 OH239176 -3.971 4.217 0.345 + 1095TIP3 H139177 -3.885 4.233 0.302 + 1095TIP3 H239178 -3.947 4.165 0.423 + 1095TIP3 OH239179 -4.289 4.107 0.971 + 1095TIP3 H139180 -4.234 4.048 1.026 + 1095TIP3 H239181 -4.299 4.056 0.888 + 1095TIP3 OH239182 -3.542 4.046 1.122 + 1095TIP3 H139183 -3.577 4.028 1.033 + 1095TIP3 H239184 -3.447 4.030 1.108 + 1095TIP3 OH239185 -2.535 3.798 -0.232 + 1095TIP3 H139186 -2.590 3.779 -0.311 + 1095TIP3 H239187 -2.523 3.894 -0.247 + 1096TIP3 OH239188 -2.989 4.179 0.547 + 1096TIP3 H139189 -3.080 4.183 0.512 + 1096TIP3 H239190 -2.941 4.136 0.475 + 1096TIP3 OH239191 -4.174 4.096 -0.412 + 1096TIP3 H139192 -4.095 4.134 -0.372 + 1096TIP3 H239193 -4.238 4.167 -0.393 + 1096TIP3 OH239194 -4.102 3.575 0.889 + 1096TIP3 H139195 -4.187 3.609 0.854 + 1096TIP3 H239196 -4.125 3.486 0.923 + 1096TIP3 OH239197 -3.958 -4.392 -0.247 + 1096TIP3 H139198 -4.051 -4.360 -0.242 + 1096TIP3 H239199 -3.912 -4.309 -0.269 + 1096TIP3 OH239200 -3.210 3.549 0.736 + 1096TIP3 H139201 -3.148 3.576 0.805 + 1096TIP3 H239202 -3.259 3.476 0.778 + 1096TIP3 OH239203 -3.145 3.492 -0.138 + 1096TIP3 H139204 -3.130 3.545 -0.218 + 1096TIP3 H239205 -3.101 3.544 -0.069 + 1096TIP3 OH239206 -3.403 3.691 -0.043 + 1096TIP3 H139207 -3.328 3.752 -0.028 + 1096TIP3 H239208 -3.434 3.676 0.048 + 1096TIP3 OH239209 -3.369 3.789 0.875 + 1096TIP3 H139210 -3.359 3.841 0.956 + 1096TIP3 H239211 -3.315 3.711 0.895 + 1096TIP3 OH239212 -3.346 3.393 0.052 + 1096TIP3 H139213 -3.367 3.464 0.116 + 1096TIP3 H239214 -3.273 3.435 0.000 + 1096TIP3 OH239215 -3.774 3.494 -0.290 + 1096TIP3 H139216 -3.765 3.576 -0.238 + 1096TIP3 H239217 -3.692 3.447 -0.267 + 1097TIP3 OH239218 -2.742 3.584 0.963 + 1097TIP3 H139219 -2.837 3.599 0.943 + 1097TIP3 H239220 -2.712 3.564 0.873 + 1097TIP3 OH239221 -2.886 3.965 0.355 + 1097TIP3 H139222 -2.972 3.923 0.337 + 1097TIP3 H239223 -2.841 3.898 0.410 + 1097TIP3 OH239224 -4.114 3.799 -0.480 + 1097TIP3 H139225 -4.112 3.891 -0.449 + 1097TIP3 H239226 -4.203 3.789 -0.516 + 1097TIP3 OH239227 -4.025 3.294 0.397 + 1097TIP3 H139228 -4.058 3.293 0.305 + 1097TIP3 H239229 -4.069 3.216 0.435 + 1097TIP3 OH239230 -4.198 4.346 1.223 + 1097TIP3 H139231 -4.195 4.249 1.222 + 1097TIP3 H239232 -4.293 4.362 1.239 + 1097TIP3 OH239233 -3.588 4.328 1.159 + 1097TIP3 H139234 -3.585 4.347 1.063 + 1097TIP3 H239235 -3.550 4.238 1.163 + 1097TIP3 OH239236 -2.984 -4.377 0.933 + 1097TIP3 H139237 -2.903 -4.332 0.904 + 1097TIP3 H239238 -3.051 -4.310 0.915 + 1097TIP3 OH239239 -4.132 4.017 1.187 + 1097TIP3 H139240 -4.050 3.966 1.176 + 1097TIP3 H239241 -4.128 4.040 1.281 + 1097TIP3 OH239242 -3.659 4.160 -0.312 + 1097TIP3 H139243 -3.729 4.122 -0.257 + 1097TIP3 H239244 -3.647 4.092 -0.380 + 1097TIP3 OH239245 -3.747 3.934 0.922 + 1097TIP3 H139246 -3.807 4.010 0.934 + 1097TIP3 H239247 -3.686 3.968 0.854 + 1098TIP3 OH239248 -3.579 3.956 -0.488 + 1098TIP3 H139249 -3.581 3.972 -0.585 + 1098TIP3 H239250 -3.483 3.957 -0.471 + 1098TIP3 OH239251 -3.221 4.215 1.271 + 1098TIP3 H139252 -3.132 4.199 1.238 + 1098TIP3 H239253 -3.250 4.128 1.299 + 1098TIP3 OH239254 -2.648 4.189 -0.566 + 1098TIP3 H139255 -2.659 4.185 -0.662 + 1098TIP3 H239256 -2.645 4.285 -0.547 + 1098TIP3 OH239257 -3.690 3.663 1.030 + 1098TIP3 H139258 -3.684 3.598 0.958 + 1098TIP3 H239259 -3.711 3.744 0.981 + 1098TIP3 OH239260 -3.657 3.510 0.775 + 1098TIP3 H139261 -3.605 3.563 0.711 + 1098TIP3 H239262 -3.747 3.514 0.738 + 1098TIP3 OH239263 -3.505 4.067 0.807 + 1098TIP3 H139264 -3.421 4.056 0.758 + 1098TIP3 H239265 -3.542 4.147 0.765 + 1098TIP3 OH239266 -3.038 3.827 1.308 + 1098TIP3 H139267 -3.005 3.741 1.282 + 1098TIP3 H239268 -2.958 3.881 1.301 + 1098TIP3 OH239269 -2.951 4.131 1.125 + 1098TIP3 H139270 -2.971 4.206 1.064 + 1098TIP3 H239271 -2.856 4.120 1.107 + 1098TIP3 OH239272 -3.878 3.852 1.212 + 1098TIP3 H139273 -3.930 3.769 1.206 + 1098TIP3 H239274 -3.799 3.829 1.161 + 1098TIP3 OH239275 -3.586 3.243 0.811 + 1098TIP3 H139276 -3.603 3.338 0.793 + 1098TIP3 H239277 -3.655 3.201 0.756 + 1099TIP3 OH239278 -3.457 3.697 1.188 + 1099TIP3 H139279 -3.498 3.685 1.275 + 1099TIP3 H239280 -3.535 3.682 1.130 + 1099TIP3 OH239281 -3.204 3.605 1.076 + 1099TIP3 H139282 -3.293 3.612 1.114 + 1099TIP3 H239283 -3.159 3.546 1.139 + 1099TIP3 OH239284 -3.027 3.469 1.272 + 1099TIP3 H139285 -3.035 3.371 1.270 + 1099TIP3 H239286 -3.046 3.490 1.365 + 1099TIP3 OH239287 -4.010 3.598 1.192 + 1099TIP3 H139288 -4.017 3.527 1.126 + 1099TIP3 H239289 -4.033 3.551 1.275 + 1099TIP3 OH239290 -3.599 3.192 1.091 + 1099TIP3 H139291 -3.541 3.115 1.093 + 1099TIP3 H239292 -3.605 3.207 0.994 + 1099TIP3 OH239293 -3.510 3.376 1.281 + 1099TIP3 H139294 -3.534 3.318 1.206 + 1099TIP3 H239295 -3.576 3.447 1.275 + 1099TIP3 OH239296 -2.569 4.361 -0.123 + 1099TIP3 H139297 -2.474 4.364 -0.142 + 1099TIP3 H239298 -2.583 4.275 -0.081 + 1099TIP3 OH239299 -2.526 4.127 0.041 + 1099TIP3 H139300 -2.609 4.088 0.076 + 1099TIP3 H239301 -2.482 4.157 0.122 + 1099TIP3 OH239302 -2.514 4.093 -0.308 + 1099TIP3 H139303 -2.576 4.115 -0.380 + 1099TIP3 H239304 -2.526 4.169 -0.250 + 1099TIP3 OH239305 -2.685 3.842 -0.475 + 1099TIP3 H139306 -2.666 3.907 -0.545 + 1099TIP3 H239307 -2.709 3.763 -0.526 + 1100TIP3 OH239308 -2.756 3.966 0.113 + 1100TIP3 H139309 -2.759 3.870 0.099 + 1100TIP3 H239310 -2.793 3.974 0.204 + 1100TIP3 OH239311 -4.249 4.209 0.499 + 1100TIP3 H139312 -4.229 4.185 0.407 + 1100TIP3 H239313 -4.177 4.166 0.549 + 1100TIP3 OH239314 -2.655 4.151 1.005 + 1100TIP3 H139315 -2.600 4.103 1.069 + 1100TIP3 H239316 -2.635 4.245 1.023 + 1100TIP3 OH239317 -2.537 3.969 1.165 + 1100TIP3 H139318 -2.607 3.909 1.133 + 1100TIP3 H239319 -2.460 3.910 1.169 + 1100TIP3 OH239320 -2.740 3.578 -0.557 + 1100TIP3 H139321 -2.683 3.529 -0.495 + 1100TIP3 H239322 -2.821 3.525 -0.561 + 1100TIP3 OH239323 -2.757 3.706 -0.059 + 1100TIP3 H139324 -2.734 3.611 -0.056 + 1100TIP3 H239325 -2.678 3.743 -0.101 + 1100TIP3 OH239326 -2.737 3.764 0.483 + 1100TIP3 H139327 -2.640 3.779 0.482 + 1100TIP3 H239328 -2.753 3.772 0.579 + 1100TIP3 OH239329 -2.720 3.838 0.765 + 1100TIP3 H139330 -2.806 3.877 0.789 + 1100TIP3 H239331 -2.667 3.918 0.745 + 1100TIP3 OH239332 -4.287 3.709 1.126 + 1100TIP3 H139333 -4.200 3.666 1.120 + 1100TIP3 H239334 -4.347 3.635 1.143 + 1100TIP3 OH239335 -2.467 3.249 1.293 + 1100TIP3 H139336 -2.422 3.181 1.238 + 1100TIP3 H239337 -2.462 3.327 1.236 + 1101TIP3 OH239338 -2.712 3.427 -0.064 + 1101TIP3 H139339 -2.702 3.394 0.027 + 1101TIP3 H239340 -2.792 3.378 -0.093 + 1101TIP3 OH239341 -4.196 3.554 0.449 + 1101TIP3 H139342 -4.158 3.465 0.439 + 1101TIP3 H239343 -4.116 3.609 0.460 + 1101TIP3 OH239344 -4.328 3.817 0.530 + 1101TIP3 H139345 -4.295 3.767 0.454 + 1101TIP3 H239346 -4.311 3.908 0.501 + 1101TIP3 OH239347 -2.527 3.455 1.120 + 1101TIP3 H139348 -2.613 3.500 1.122 + 1101TIP3 H239349 -2.538 3.402 1.039 + 1101TIP3 OH239350 -2.516 3.475 -0.396 + 1101TIP3 H139351 -2.484 3.395 -0.442 + 1101TIP3 H239352 -2.436 3.528 -0.389 + 1101TIP3 OH239353 -4.316 3.431 -0.122 + 1101TIP3 H139354 -4.400 3.457 -0.164 + 1101TIP3 H239355 -4.258 3.503 -0.155 + 1101TIP3 OH239356 -4.291 3.328 0.715 + 1101TIP3 H139357 -4.360 3.319 0.785 + 1101TIP3 H239358 -4.335 3.374 0.642 + 1101TIP3 OH239359 -2.641 3.279 0.917 + 1101TIP3 H139360 -2.720 3.301 0.863 + 1101TIP3 H239361 -2.618 3.190 0.883 + 1101TIP3 OH239362 -3.296 3.429 0.365 + 1101TIP3 H139363 -3.366 3.362 0.377 + 1101TIP3 H239364 -3.238 3.384 0.301 + 1101TIP3 OH239365 -2.802 3.232 0.409 + 1101TIP3 H139366 -2.726 3.276 0.368 + 1101TIP3 H239367 -2.876 3.261 0.354 + 1102TIP3 OH239368 -2.594 3.342 0.195 + 1102TIP3 H139369 -2.522 3.301 0.144 + 1102TIP3 H239370 -2.562 3.434 0.204 + 1102TIP3 OH239371 -4.106 3.287 0.117 + 1102TIP3 H139372 -4.180 3.261 0.060 + 1102TIP3 H239373 -4.046 3.212 0.105 + 1102TIP3 OH239374 -4.180 3.249 -0.302 + 1102TIP3 H139375 -4.131 3.316 -0.353 + 1102TIP3 H239376 -4.234 3.305 -0.244 + 1102TIP3 OH239377 -3.614 3.282 0.106 + 1102TIP3 H139378 -3.523 3.314 0.092 + 1102TIP3 H239379 -3.617 3.275 0.202 + 1102TIP3 OH239380 -3.054 3.288 0.247 + 1102TIP3 H139381 -3.030 3.272 0.155 + 1102TIP3 H239382 -3.094 3.202 0.272 + 1102TIP3 OH239383 -2.944 3.288 -0.154 + 1102TIP3 H139384 -3.026 3.340 -0.167 + 1102TIP3 H239385 -2.980 3.198 -0.142 + 1102TIP3 OH239386 -4.006 3.437 -0.448 + 1102TIP3 H139387 -3.949 3.380 -0.501 + 1102TIP3 H239388 -3.944 3.466 -0.379 + 1102TIP3 OH239389 -3.499 3.451 -0.189 + 1102TIP3 H139390 -3.465 3.394 -0.119 + 1102TIP3 H239391 -3.479 3.538 -0.152 + 1102TIP3 OH239392 -4.080 3.327 1.069 + 1102TIP3 H139393 -4.125 3.251 1.109 + 1102TIP3 H239394 -3.988 3.312 1.097 + 1102TIP3 OH239395 -3.841 3.265 1.248 + 1102TIP3 H139396 -3.761 3.228 1.205 + 1102TIP3 H239397 -3.879 3.185 1.289 + 1103TIP3 OH239398 -3.029 3.186 1.267 + 1103TIP3 H139399 -3.022 3.139 1.352 + 1103TIP3 H239400 -2.938 3.179 1.234 + 1103TIP3 OH239401 -1.275 4.201 0.128 + 1103TIP3 H139402 -1.302 4.294 0.129 + 1103TIP3 H239403 -1.346 4.162 0.075 + 1103TIP3 OH239404 -1.413 4.133 0.457 + 1103TIP3 H139405 -1.389 4.081 0.535 + 1103TIP3 H239406 -1.413 4.068 0.386 + 1103TIP3 OH239407 -2.083 4.060 0.598 + 1103TIP3 H139408 -2.119 3.999 0.665 + 1103TIP3 H239409 -2.061 4.135 0.656 + 1103TIP3 OH239410 -2.378 3.889 0.012 + 1103TIP3 H139411 -2.427 3.974 0.013 + 1103TIP3 H239412 -2.443 3.831 -0.030 + 1103TIP3 OH239413 -2.260 4.139 0.210 + 1103TIP3 H139414 -2.279 4.052 0.251 + 1103TIP3 H239415 -2.210 4.111 0.133 + 1103TIP3 OH239416 -0.675 3.523 0.571 + 1103TIP3 H139417 -0.650 3.584 0.643 + 1103TIP3 H239418 -0.613 3.551 0.502 + 1103TIP3 OH239419 -1.212 3.804 0.558 + 1103TIP3 H139420 -1.196 3.708 0.564 + 1103TIP3 H239421 -1.222 3.816 0.462 + 1103TIP3 OH239422 -1.917 3.611 0.275 + 1103TIP3 H139423 -1.901 3.689 0.218 + 1103TIP3 H239424 -1.952 3.549 0.207 + 1103TIP3 OH239425 -1.128 3.624 0.102 + 1103TIP3 H139426 -1.068 3.582 0.167 + 1103TIP3 H239427 -1.064 3.668 0.044 + 1104TIP3 OH239428 -2.226 3.878 0.318 + 1104TIP3 H139429 -2.186 3.815 0.380 + 1104TIP3 H239430 -2.227 3.826 0.236 + 1104TIP3 OH239431 -0.600 3.661 0.821 + 1104TIP3 H139432 -0.660 3.732 0.791 + 1104TIP3 H239433 -0.624 3.656 0.914 + 1104TIP3 OH239434 -2.032 3.485 0.683 + 1104TIP3 H139435 -2.073 3.538 0.614 + 1104TIP3 H239436 -2.098 3.496 0.755 + 1104TIP3 OH239437 -1.795 4.262 0.650 + 1104TIP3 H139438 -1.870 4.323 0.637 + 1104TIP3 H239439 -1.722 4.323 0.639 + 1104TIP3 OH239440 -0.947 3.543 0.303 + 1104TIP3 H139441 -0.984 3.485 0.371 + 1104TIP3 H239442 -0.893 3.603 0.356 + 1104TIP3 OH239443 -2.053 3.704 0.492 + 1104TIP3 H139444 -1.989 3.750 0.548 + 1104TIP3 H239445 -1.997 3.665 0.421 + 1104TIP3 OH239446 -0.932 3.461 0.687 + 1104TIP3 H139447 -1.009 3.500 0.642 + 1104TIP3 H239448 -0.859 3.480 0.625 + 1104TIP3 OH239449 -1.620 3.225 0.392 + 1104TIP3 H139450 -1.642 3.130 0.393 + 1104TIP3 H239451 -1.701 3.264 0.429 + 1104TIP3 OH239452 -1.421 4.144 -0.133 + 1104TIP3 H139453 -1.488 4.176 -0.195 + 1104TIP3 H239454 -1.345 4.133 -0.193 + 1104TIP3 OH239455 -1.381 3.941 -0.415 + 1104TIP3 H139456 -1.308 3.979 -0.364 + 1104TIP3 H239457 -1.333 3.892 -0.483 + 1105TIP3 OH239458 -0.669 4.056 0.691 + 1105TIP3 H139459 -0.735 4.127 0.702 + 1105TIP3 H239460 -0.618 4.094 0.616 + 1105TIP3 OH239461 -1.051 4.139 -0.033 + 1105TIP3 H139462 -1.115 4.162 0.036 + 1105TIP3 H239463 -0.984 4.089 0.017 + 1105TIP3 OH239464 -1.078 3.981 0.859 + 1105TIP3 H139465 -1.075 4.057 0.919 + 1105TIP3 H239466 -1.131 4.019 0.788 + 1105TIP3 OH239467 -1.883 4.158 0.179 + 1105TIP3 H139468 -1.912 4.185 0.090 + 1105TIP3 H239469 -1.796 4.124 0.156 + 1105TIP3 OH239470 -1.171 4.075 -0.269 + 1105TIP3 H139471 -1.112 4.101 -0.194 + 1105TIP3 H239472 -1.124 4.119 -0.345 + 1105TIP3 OH239473 -2.062 4.149 0.886 + 1105TIP3 H139474 -2.051 4.214 0.959 + 1105TIP3 H239475 -2.159 4.138 0.892 + 1105TIP3 OH239476 -0.818 3.246 -0.329 + 1105TIP3 H139477 -0.903 3.252 -0.282 + 1105TIP3 H239478 -0.783 3.336 -0.318 + 1105TIP3 OH239479 -2.018 4.089 -0.078 + 1105TIP3 H139480 -2.024 4.165 -0.140 + 1105TIP3 H239481 -2.068 4.021 -0.125 + 1105TIP3 OH239482 -2.364 4.306 0.775 + 1105TIP3 H139483 -2.432 4.299 0.707 + 1105TIP3 H239484 -2.379 4.228 0.831 + 1105TIP3 OH239485 -0.879 3.838 1.093 + 1105TIP3 H139486 -0.929 3.875 1.019 + 1105TIP3 H239487 -0.873 3.744 1.066 + 1106TIP3 OH239488 -1.863 3.342 0.489 + 1106TIP3 H139489 -1.944 3.329 0.438 + 1106TIP3 H239490 -1.892 3.411 0.550 + 1106TIP3 OH239491 -1.427 3.308 0.848 + 1106TIP3 H139492 -1.374 3.252 0.909 + 1106TIP3 H239493 -1.517 3.271 0.859 + 1106TIP3 OH239494 -1.110 3.685 0.896 + 1106TIP3 H139495 -1.170 3.669 0.971 + 1106TIP3 H239496 -1.117 3.781 0.882 + 1106TIP3 OH239497 -1.030 4.174 -0.475 + 1106TIP3 H139498 -1.036 4.159 -0.571 + 1106TIP3 H239499 -0.942 4.216 -0.468 + 1106TIP3 OH239500 -1.444 3.557 -0.427 + 1106TIP3 H139501 -1.493 3.543 -0.344 + 1106TIP3 H239502 -1.484 3.488 -0.483 + 1106TIP3 OH239503 -1.876 3.854 0.141 + 1106TIP3 H139504 -1.967 3.848 0.105 + 1106TIP3 H239505 -1.826 3.841 0.058 + 1106TIP3 OH239506 -1.321 3.899 -0.009 + 1106TIP3 H139507 -1.366 3.975 -0.050 + 1106TIP3 H239508 -1.253 3.878 -0.075 + 1106TIP3 OH239509 -1.403 3.921 1.130 + 1106TIP3 H139510 -1.452 3.843 1.163 + 1106TIP3 H239511 -1.314 3.904 1.168 + 1106TIP3 OH239512 -1.246 3.833 0.269 + 1106TIP3 H139513 -1.269 3.886 0.190 + 1106TIP3 H239514 -1.220 3.750 0.224 + 1106TIP3 OH239515 -2.138 3.839 0.791 + 1106TIP3 H139516 -2.113 3.882 0.873 + 1106TIP3 H239517 -2.169 3.753 0.823 + 1107TIP3 OH239518 -1.800 3.603 -0.535 + 1107TIP3 H139519 -1.838 3.566 -0.453 + 1107TIP3 H239520 -1.879 3.618 -0.590 + 1107TIP3 OH239521 -2.450 3.594 0.173 + 1107TIP3 H139522 -2.388 3.587 0.247 + 1107TIP3 H239523 -2.404 3.550 0.100 + 1107TIP3 OH239524 -2.298 3.633 -0.257 + 1107TIP3 H139525 -2.244 3.681 -0.324 + 1107TIP3 H239526 -2.368 3.699 -0.241 + 1107TIP3 OH239527 -1.340 3.997 0.709 + 1107TIP3 H139528 -1.285 3.930 0.662 + 1107TIP3 H239529 -1.365 3.947 0.789 + 1107TIP3 OH239530 -1.608 3.593 0.213 + 1107TIP3 H139531 -1.702 3.582 0.236 + 1107TIP3 H239532 -1.564 3.572 0.297 + 1107TIP3 OH239533 -2.142 3.724 0.082 + 1107TIP3 H139534 -2.224 3.747 0.034 + 1107TIP3 H239535 -2.110 3.645 0.034 + 1107TIP3 OH239536 -1.787 3.760 -0.140 + 1107TIP3 H139537 -1.690 3.757 -0.145 + 1107TIP3 H239538 -1.813 3.808 -0.221 + 1107TIP3 OH239539 -1.167 3.508 0.516 + 1107TIP3 H139540 -1.231 3.507 0.590 + 1107TIP3 H239541 -1.224 3.474 0.445 + 1107TIP3 OH239542 -1.939 3.874 -0.371 + 1107TIP3 H139543 -1.997 3.845 -0.443 + 1107TIP3 H239544 -1.858 3.898 -0.420 + 1107TIP3 OH239545 -2.071 4.325 1.090 + 1107TIP3 H139546 -2.010 4.366 1.154 + 1107TIP3 H239547 -2.134 4.280 1.151 + 1108TIP3 OH239548 -1.532 3.867 0.378 + 1108TIP3 H139549 -1.455 3.828 0.334 + 1108TIP3 H239550 -1.540 3.813 0.458 + 1108TIP3 OH239551 -1.973 3.490 0.018 + 1108TIP3 H139552 -2.028 3.411 0.030 + 1108TIP3 H239553 -1.893 3.454 -0.023 + 1108TIP3 OH239554 -1.647 3.731 0.627 + 1108TIP3 H139555 -1.715 3.773 0.680 + 1108TIP3 H239556 -1.572 3.737 0.689 + 1108TIP3 OH239557 -1.649 4.361 -0.157 + 1108TIP3 H139558 -1.666 4.304 -0.234 + 1108TIP3 H239559 -1.572 4.325 -0.112 + 1108TIP3 OH239560 -0.844 4.266 0.678 + 1108TIP3 H139561 -0.819 4.312 0.596 + 1108TIP3 H239562 -0.939 4.256 0.660 + 1108TIP3 OH239563 -1.176 3.615 -0.412 + 1108TIP3 H139564 -1.275 3.614 -0.416 + 1108TIP3 H239565 -1.158 3.689 -0.350 + 1108TIP3 OH239566 -1.109 3.798 -0.203 + 1108TIP3 H139567 -1.020 3.782 -0.166 + 1108TIP3 H239568 -1.097 3.885 -0.247 + 1108TIP3 OH239569 -2.007 4.245 0.403 + 1108TIP3 H139570 -1.980 4.239 0.308 + 1108TIP3 H239571 -2.076 4.179 0.413 + 1108TIP3 OH239572 -2.340 4.073 0.929 + 1108TIP3 H139573 -2.343 4.056 1.025 + 1108TIP3 H239574 -2.421 4.031 0.896 + 1108TIP3 OH239575 -1.657 4.052 1.116 + 1108TIP3 H139576 -1.691 4.025 1.029 + 1108TIP3 H239577 -1.563 4.027 1.110 + 1109TIP3 OH239578 -0.650 3.798 -0.232 + 1109TIP3 H139579 -0.705 3.779 -0.311 + 1109TIP3 H239580 -0.637 3.893 -0.247 + 1109TIP3 OH239581 -1.103 4.178 0.548 + 1109TIP3 H139582 -1.192 4.185 0.512 + 1109TIP3 H239583 -1.053 4.136 0.476 + 1109TIP3 OH239584 -2.248 4.094 -0.427 + 1109TIP3 H139585 -2.188 4.155 -0.381 + 1109TIP3 H239586 -2.333 4.113 -0.383 + 1109TIP3 OH239587 -2.221 3.563 0.880 + 1109TIP3 H139588 -2.311 3.590 0.856 + 1109TIP3 H239589 -2.237 3.477 0.923 + 1109TIP3 OH239590 -2.072 -4.388 -0.241 + 1109TIP3 H139591 -2.162 -4.352 -0.230 + 1109TIP3 H239592 -2.024 -4.308 -0.268 + 1109TIP3 OH239593 -1.333 3.550 0.734 + 1109TIP3 H139594 -1.268 3.579 0.801 + 1109TIP3 H239595 -1.376 3.473 0.777 + 1109TIP3 OH239596 -1.263 3.495 -0.138 + 1109TIP3 H139597 -1.244 3.544 -0.219 + 1109TIP3 H239598 -1.213 3.543 -0.071 + 1109TIP3 OH239599 -1.520 3.692 -0.045 + 1109TIP3 H139600 -1.443 3.750 -0.030 + 1109TIP3 H239601 -1.550 3.675 0.047 + 1109TIP3 OH239602 -1.484 3.792 0.870 + 1109TIP3 H139603 -1.480 3.837 0.955 + 1109TIP3 H239604 -1.436 3.710 0.889 + 1109TIP3 OH239605 -1.457 3.397 0.052 + 1109TIP3 H139606 -1.481 3.467 0.115 + 1109TIP3 H239607 -1.386 3.441 -0.000 + 1110TIP3 OH239608 -1.888 3.495 -0.296 + 1110TIP3 H139609 -1.887 3.571 -0.235 + 1110TIP3 H239610 -1.806 3.449 -0.268 + 1110TIP3 OH239611 -0.855 3.585 0.961 + 1110TIP3 H139612 -0.951 3.595 0.946 + 1110TIP3 H239613 -0.830 3.562 0.870 + 1110TIP3 OH239614 -1.004 3.966 0.355 + 1110TIP3 H139615 -1.088 3.921 0.338 + 1110TIP3 H239616 -0.956 3.900 0.409 + 1110TIP3 OH239617 -2.236 3.800 -0.474 + 1110TIP3 H139618 -2.221 3.895 -0.459 + 1110TIP3 H239619 -2.319 3.801 -0.524 + 1110TIP3 OH239620 -2.142 3.306 0.401 + 1110TIP3 H139621 -2.160 3.303 0.305 + 1110TIP3 H239622 -2.175 3.220 0.431 + 1110TIP3 OH239623 -1.694 4.329 1.156 + 1110TIP3 H139624 -1.694 4.341 1.060 + 1110TIP3 H239625 -1.666 4.235 1.163 + 1110TIP3 OH239626 -1.099 -4.376 0.933 + 1110TIP3 H139627 -1.021 -4.331 0.899 + 1110TIP3 H239628 -1.168 -4.312 0.913 + 1110TIP3 OH239629 -1.781 4.160 -0.319 + 1110TIP3 H139630 -1.839 4.115 -0.258 + 1110TIP3 H239631 -1.762 4.091 -0.385 + 1110TIP3 OH239632 -1.849 3.926 0.896 + 1110TIP3 H139633 -1.912 3.990 0.933 + 1110TIP3 H239634 -1.789 3.984 0.845 + 1110TIP3 OH239635 -1.693 3.957 -0.487 + 1110TIP3 H139636 -1.696 3.971 -0.584 + 1110TIP3 H239637 -1.597 3.956 -0.471 + 1111TIP3 OH239638 -1.331 4.216 1.274 + 1111TIP3 H139639 -1.245 4.194 1.236 + 1111TIP3 H239640 -1.367 4.130 1.298 + 1111TIP3 OH239641 -0.762 4.189 -0.565 + 1111TIP3 H139642 -0.771 4.185 -0.662 + 1111TIP3 H239643 -0.760 4.285 -0.546 + 1111TIP3 OH239644 -1.804 3.663 1.030 + 1111TIP3 H139645 -1.797 3.597 0.959 + 1111TIP3 H239646 -1.827 3.743 0.980 + 1111TIP3 OH239647 -1.773 3.513 0.773 + 1111TIP3 H139648 -1.723 3.559 0.703 + 1111TIP3 H239649 -1.864 3.510 0.739 + 1111TIP3 OH239650 -1.623 4.068 0.797 + 1111TIP3 H139651 -1.533 4.059 0.759 + 1111TIP3 H239652 -1.648 4.157 0.771 + 1111TIP3 OH239653 -1.157 3.849 1.293 + 1111TIP3 H139654 -1.138 3.755 1.305 + 1111TIP3 H239655 -1.067 3.886 1.288 + 1111TIP3 OH239656 -1.062 4.137 1.128 + 1111TIP3 H139657 -1.085 4.209 1.065 + 1111TIP3 H239658 -0.972 4.117 1.099 + 1111TIP3 OH239659 -1.967 3.859 1.203 + 1111TIP3 H139660 -2.045 3.802 1.206 + 1111TIP3 H239661 -1.900 3.802 1.164 + 1111TIP3 OH239662 -1.701 3.245 0.813 + 1111TIP3 H139663 -1.722 3.339 0.797 + 1111TIP3 H239664 -1.772 3.199 0.764 + 1111TIP3 OH239665 -1.572 3.702 1.187 + 1111TIP3 H139666 -1.606 3.681 1.276 + 1111TIP3 H239667 -1.652 3.681 1.134 + 1112TIP3 OH239668 -1.319 3.607 1.075 + 1112TIP3 H139669 -1.408 3.612 1.117 + 1112TIP3 H239670 -1.274 3.542 1.132 + 1112TIP3 OH239671 -1.133 3.454 1.248 + 1112TIP3 H139672 -1.150 3.359 1.262 + 1112TIP3 H239673 -1.153 3.494 1.334 + 1112TIP3 OH239674 -2.122 3.595 1.197 + 1112TIP3 H139675 -2.126 3.526 1.129 + 1112TIP3 H239676 -2.142 3.544 1.278 + 1112TIP3 OH239677 -1.698 3.182 1.094 + 1112TIP3 H139678 -1.639 3.105 1.092 + 1112TIP3 H239679 -1.708 3.197 0.998 + 1112TIP3 OH239680 -1.621 3.379 1.278 + 1112TIP3 H139681 -1.646 3.317 1.207 + 1112TIP3 H239682 -1.692 3.445 1.276 + 1112TIP3 OH239683 -0.684 4.359 -0.126 + 1112TIP3 H139684 -0.588 4.365 -0.139 + 1112TIP3 H239685 -0.696 4.276 -0.078 + 1112TIP3 OH239686 -0.645 4.130 0.038 + 1112TIP3 H139687 -0.723 4.088 0.079 + 1112TIP3 H239688 -0.589 4.152 0.115 + 1112TIP3 OH239689 -0.627 4.094 -0.309 + 1112TIP3 H139690 -0.690 4.116 -0.380 + 1112TIP3 H239691 -0.641 4.168 -0.248 + 1112TIP3 OH239692 -0.800 3.842 -0.475 + 1112TIP3 H139693 -0.780 3.907 -0.545 + 1112TIP3 H239694 -0.824 3.762 -0.525 + 1112TIP3 OH239695 -0.872 3.966 0.113 + 1112TIP3 H139696 -0.873 3.869 0.100 + 1112TIP3 H239697 -0.908 3.973 0.204 + 1113TIP3 OH239698 -2.385 4.167 0.501 + 1113TIP3 H139699 -2.369 4.197 0.411 + 1113TIP3 H239700 -2.300 4.182 0.545 + 1113TIP3 OH239701 -0.785 4.160 1.033 + 1113TIP3 H139702 -0.713 4.101 1.061 + 1113TIP3 H239703 -0.742 4.244 1.011 + 1113TIP3 OH239704 -0.644 3.965 1.153 + 1113TIP3 H139705 -0.725 3.913 1.134 + 1113TIP3 H239706 -0.576 3.896 1.156 + 1113TIP3 OH239707 -0.854 3.578 -0.558 + 1113TIP3 H139708 -0.797 3.529 -0.495 + 1113TIP3 H239709 -0.935 3.524 -0.562 + 1113TIP3 OH239710 -0.873 3.706 -0.059 + 1113TIP3 H139711 -0.848 3.611 -0.055 + 1113TIP3 H239712 -0.793 3.742 -0.101 + 1113TIP3 OH239713 -0.852 3.768 0.481 + 1113TIP3 H139714 -0.754 3.779 0.479 + 1113TIP3 H239715 -0.866 3.771 0.578 + 1113TIP3 OH239716 -0.834 3.837 0.765 + 1113TIP3 H139717 -0.920 3.875 0.789 + 1113TIP3 H239718 -0.783 3.917 0.741 + 1113TIP3 OH239719 -2.389 3.713 1.129 + 1113TIP3 H139720 -2.294 3.694 1.135 + 1113TIP3 H239721 -2.428 3.625 1.141 + 1113TIP3 OH239722 -0.578 3.254 1.294 + 1113TIP3 H139723 -0.537 3.184 1.239 + 1113TIP3 H239724 -0.575 3.330 1.234 + 1113TIP3 OH239725 -0.827 3.427 -0.063 + 1113TIP3 H139726 -0.815 3.393 0.028 + 1113TIP3 H239727 -0.906 3.378 -0.092 + 1114TIP3 OH239728 -2.292 3.561 0.414 + 1114TIP3 H139729 -2.255 3.471 0.421 + 1114TIP3 H239730 -2.225 3.613 0.461 + 1114TIP3 OH239731 -2.455 3.816 0.519 + 1114TIP3 H139732 -2.398 3.812 0.441 + 1114TIP3 H239733 -2.425 3.897 0.562 + 1114TIP3 OH239734 -0.640 3.458 1.117 + 1114TIP3 H139735 -0.729 3.499 1.122 + 1114TIP3 H239736 -0.652 3.402 1.038 + 1114TIP3 OH239737 -0.631 3.476 -0.397 + 1114TIP3 H139738 -0.599 3.395 -0.440 + 1114TIP3 H239739 -0.549 3.527 -0.389 + 1114TIP3 OH239740 -2.405 3.450 -0.076 + 1114TIP3 H139741 -2.500 3.453 -0.099 + 1114TIP3 H239742 -2.364 3.509 -0.143 + 1114TIP3 OH239743 -2.400 3.338 0.737 + 1114TIP3 H139744 -2.471 3.310 0.796 + 1114TIP3 H239745 -2.450 3.389 0.671 + 1114TIP3 OH239746 -0.754 3.278 0.915 + 1114TIP3 H139747 -0.834 3.299 0.864 + 1114TIP3 H239748 -0.735 3.188 0.882 + 1114TIP3 OH239749 -1.416 3.431 0.363 + 1114TIP3 H139750 -1.482 3.362 0.379 + 1114TIP3 H239751 -1.355 3.385 0.303 + 1114TIP3 OH239752 -0.919 3.225 0.412 + 1114TIP3 H139753 -0.841 3.267 0.373 + 1114TIP3 H239754 -0.992 3.256 0.355 + 1114TIP3 OH239755 -0.709 3.341 0.195 + 1114TIP3 H139756 -0.638 3.297 0.143 + 1114TIP3 H239757 -0.674 3.431 0.204 + 1115TIP3 OH239758 -2.178 3.301 0.119 + 1115TIP3 H139759 -2.263 3.287 0.074 + 1115TIP3 H239760 -2.134 3.214 0.104 + 1115TIP3 OH239761 -2.295 3.250 -0.295 + 1115TIP3 H139762 -2.243 3.315 -0.345 + 1115TIP3 H239763 -2.335 3.304 -0.226 + 1115TIP3 OH239764 -1.732 3.288 0.107 + 1115TIP3 H139765 -1.638 3.307 0.088 + 1115TIP3 H239766 -1.728 3.267 0.201 + 1115TIP3 OH239767 -1.178 3.267 0.251 + 1115TIP3 H139768 -1.147 3.266 0.160 + 1115TIP3 H239769 -1.193 3.173 0.268 + 1115TIP3 OH239770 -1.059 3.288 -0.154 + 1115TIP3 H139771 -1.142 3.336 -0.171 + 1115TIP3 H239772 -1.092 3.198 -0.140 + 1115TIP3 OH239773 -2.124 3.430 -0.449 + 1115TIP3 H139774 -2.062 3.377 -0.502 + 1115TIP3 H239775 -2.064 3.465 -0.380 + 1115TIP3 OH239776 -1.617 3.451 -0.189 + 1115TIP3 H139777 -1.582 3.389 -0.124 + 1115TIP3 H239778 -1.591 3.536 -0.149 + 1115TIP3 OH239779 -2.198 3.325 1.072 + 1115TIP3 H139780 -2.235 3.242 1.107 + 1115TIP3 H239781 -2.104 3.314 1.096 + 1115TIP3 OH239782 -1.952 3.260 1.241 + 1115TIP3 H139783 -1.869 3.224 1.204 + 1115TIP3 H239784 -1.988 3.181 1.284 + 1115TIP3 OH239785 -1.146 3.174 1.260 + 1115TIP3 H139786 -1.142 3.133 1.348 + 1115TIP3 H239787 -1.052 3.172 1.234 + 1116TIP3 OH239788 0.492 4.123 0.429 + 1116TIP3 H139789 0.496 4.102 0.524 + 1116TIP3 H239790 0.463 4.037 0.394 + 1116TIP3 OH239791 -0.262 4.081 0.613 + 1116TIP3 H139792 -0.264 4.007 0.676 + 1116TIP3 H239793 -0.191 4.135 0.652 + 1116TIP3 OH239794 -0.492 3.886 0.007 + 1116TIP3 H139795 -0.537 3.972 0.014 + 1116TIP3 H239796 -0.561 3.832 -0.033 + 1116TIP3 OH239797 -0.396 4.136 0.196 + 1116TIP3 H139798 -0.399 4.055 0.250 + 1116TIP3 H239799 -0.319 4.117 0.141 + 1116TIP3 OH239800 1.212 3.523 0.572 + 1116TIP3 H139801 1.236 3.584 0.643 + 1116TIP3 H239802 1.273 3.552 0.501 + 1116TIP3 OH239803 0.676 3.805 0.560 + 1116TIP3 H139804 0.689 3.708 0.566 + 1116TIP3 H239805 0.665 3.816 0.464 + 1116TIP3 OH239806 -0.028 3.606 0.267 + 1116TIP3 H139807 -0.015 3.691 0.220 + 1116TIP3 H239808 -0.063 3.552 0.193 + 1116TIP3 OH239809 0.758 3.623 0.098 + 1116TIP3 H139810 0.815 3.579 0.165 + 1116TIP3 H239811 0.825 3.667 0.043 + 1116TIP3 OH239812 -0.360 3.878 0.317 + 1116TIP3 H139813 -0.297 3.830 0.374 + 1116TIP3 H239814 -0.351 3.829 0.234 + 1116TIP3 OH239815 0.190 4.023 0.264 + 1116TIP3 H139816 0.251 3.960 0.306 + 1116TIP3 H239817 0.131 3.962 0.215 + 1117TIP3 OH239818 1.285 3.660 0.821 + 1117TIP3 H139819 1.226 3.732 0.791 + 1117TIP3 H239820 1.262 3.656 0.914 + 1117TIP3 OH239821 -0.147 3.485 0.683 + 1117TIP3 H139822 -0.189 3.534 0.610 + 1117TIP3 H239823 -0.213 3.498 0.754 + 1117TIP3 OH239824 0.126 4.266 0.656 + 1117TIP3 H139825 0.042 4.314 0.664 + 1117TIP3 H239826 0.187 4.341 0.667 + 1117TIP3 OH239827 0.940 3.547 0.301 + 1117TIP3 H139828 0.902 3.486 0.366 + 1117TIP3 H239829 0.992 3.606 0.358 + 1117TIP3 OH239830 -0.188 3.689 0.476 + 1117TIP3 H139831 -0.124 3.746 0.524 + 1117TIP3 H239832 -0.130 3.652 0.406 + 1117TIP3 OH239833 0.953 3.463 0.687 + 1117TIP3 H139834 0.876 3.501 0.641 + 1117TIP3 H239835 1.025 3.480 0.623 + 1117TIP3 OH239836 0.266 3.234 0.392 + 1117TIP3 H139837 0.244 3.139 0.386 + 1117TIP3 H239838 0.184 3.272 0.429 + 1117TIP3 OH239839 0.466 4.148 -0.117 + 1117TIP3 H139840 0.402 4.198 -0.172 + 1117TIP3 H239841 0.542 4.147 -0.177 + 1117TIP3 OH239842 0.505 3.941 -0.413 + 1117TIP3 H139843 0.578 3.981 -0.362 + 1117TIP3 H239844 0.554 3.893 -0.481 + 1117TIP3 OH239845 1.216 4.055 0.689 + 1117TIP3 H139846 1.152 4.128 0.704 + 1117TIP3 H239847 1.268 4.094 0.616 + 1118TIP3 OH239848 0.818 4.156 -0.013 + 1118TIP3 H139849 0.739 4.141 0.040 + 1118TIP3 H239850 0.884 4.097 0.029 + 1118TIP3 OH239851 0.808 3.981 0.859 + 1118TIP3 H139852 0.812 4.057 0.919 + 1118TIP3 H239853 0.752 4.018 0.789 + 1118TIP3 OH239854 -0.027 4.200 0.159 + 1118TIP3 H139855 -0.042 4.175 0.066 + 1118TIP3 H239856 0.059 4.157 0.177 + 1118TIP3 OH239857 0.043 4.065 0.500 + 1118TIP3 H139858 0.100 4.075 0.421 + 1118TIP3 H239859 0.072 4.141 0.555 + 1118TIP3 OH239860 0.722 4.074 -0.265 + 1118TIP3 H139861 0.781 4.106 -0.195 + 1118TIP3 H239862 0.762 4.120 -0.344 + 1118TIP3 OH239863 -0.173 4.147 0.886 + 1118TIP3 H139864 -0.161 4.210 0.961 + 1118TIP3 H239865 -0.270 4.141 0.884 + 1118TIP3 OH239866 1.066 3.247 -0.328 + 1118TIP3 H139867 0.979 3.256 -0.285 + 1118TIP3 H239868 1.101 3.337 -0.322 + 1118TIP3 OH239869 -0.126 4.090 -0.088 + 1118TIP3 H139870 -0.142 4.168 -0.146 + 1118TIP3 H239871 -0.186 4.024 -0.124 + 1118TIP3 OH239872 -0.519 4.310 0.788 + 1118TIP3 H139873 -0.528 4.291 0.694 + 1118TIP3 H239874 -0.494 4.223 0.825 + 1118TIP3 OH239875 1.006 3.837 1.093 + 1118TIP3 H139876 0.957 3.875 1.019 + 1118TIP3 H239877 1.013 3.744 1.066 + 1119TIP3 OH239878 0.024 3.349 0.483 + 1119TIP3 H139879 -0.058 3.342 0.430 + 1119TIP3 H239880 -0.001 3.421 0.543 + 1119TIP3 OH239881 0.461 3.307 0.848 + 1119TIP3 H139882 0.513 3.254 0.910 + 1119TIP3 H239883 0.370 3.272 0.860 + 1119TIP3 OH239884 0.777 3.685 0.898 + 1119TIP3 H139885 0.716 3.670 0.973 + 1119TIP3 H239886 0.769 3.781 0.882 + 1119TIP3 OH239887 0.856 4.173 -0.476 + 1119TIP3 H139888 0.851 4.159 -0.572 + 1119TIP3 H239889 0.943 4.215 -0.467 + 1119TIP3 OH239890 0.442 3.557 -0.426 + 1119TIP3 H139891 0.392 3.544 -0.344 + 1119TIP3 H239892 0.400 3.490 -0.483 + 1119TIP3 OH239893 0.010 3.823 0.627 + 1119TIP3 H139894 -0.052 3.837 0.701 + 1119TIP3 H239895 0.018 3.914 0.589 + 1119TIP3 OH239896 0.005 3.837 0.111 + 1119TIP3 H139897 -0.091 3.828 0.095 + 1119TIP3 H239898 0.039 3.816 0.021 + 1119TIP3 OH239899 0.571 3.906 -0.004 + 1119TIP3 H139900 0.520 3.978 -0.046 + 1119TIP3 H239901 0.630 3.879 -0.077 + 1119TIP3 OH239902 0.483 3.922 1.134 + 1119TIP3 H139903 0.434 3.843 1.164 + 1119TIP3 H239904 0.573 3.904 1.169 + 1119TIP3 OH239905 0.650 3.831 0.262 + 1119TIP3 H139906 0.620 3.879 0.182 + 1119TIP3 H239907 0.675 3.746 0.220 + 1120TIP3 OH239908 -0.252 3.841 0.803 + 1120TIP3 H139909 -0.231 3.878 0.889 + 1120TIP3 H239910 -0.288 3.754 0.827 + 1120TIP3 OH239911 0.085 3.602 -0.536 + 1120TIP3 H139912 0.049 3.567 -0.453 + 1120TIP3 H239913 0.006 3.617 -0.589 + 1120TIP3 OH239914 -0.571 3.592 0.171 + 1120TIP3 H139915 -0.511 3.587 0.247 + 1120TIP3 H239916 -0.521 3.550 0.099 + 1120TIP3 OH239917 -0.412 3.634 -0.257 + 1120TIP3 H139918 -0.359 3.682 -0.324 + 1120TIP3 H239919 -0.483 3.699 -0.240 + 1120TIP3 OH239920 0.546 4.000 0.707 + 1120TIP3 H139921 0.599 3.932 0.659 + 1120TIP3 H239922 0.520 3.950 0.786 + 1120TIP3 OH239923 0.282 3.598 0.216 + 1120TIP3 H139924 0.187 3.590 0.237 + 1120TIP3 H239925 0.322 3.571 0.301 + 1120TIP3 OH239926 -0.263 3.717 0.082 + 1120TIP3 H139927 -0.344 3.743 0.035 + 1120TIP3 H239928 -0.234 3.637 0.034 + 1120TIP3 OH239929 0.100 3.752 -0.149 + 1120TIP3 H139930 0.197 3.758 -0.146 + 1120TIP3 H239931 0.076 3.809 -0.224 + 1120TIP3 OH239932 0.719 3.508 0.516 + 1120TIP3 H139933 0.655 3.508 0.590 + 1120TIP3 H239934 0.662 3.473 0.445 + 1120TIP3 OH239935 -0.054 3.877 -0.372 + 1120TIP3 H139936 -0.111 3.845 -0.444 + 1120TIP3 H239937 0.027 3.898 -0.421 + 1121TIP3 OH239938 -0.162 4.316 1.094 + 1121TIP3 H139939 -0.106 4.365 1.158 + 1121TIP3 H239940 -0.243 4.304 1.147 + 1121TIP3 OH239941 0.386 3.855 0.399 + 1121TIP3 H139942 0.453 3.805 0.351 + 1121TIP3 H239943 0.365 3.795 0.473 + 1121TIP3 OH239944 -0.091 3.487 0.016 + 1121TIP3 H139945 -0.145 3.407 0.028 + 1121TIP3 H239946 -0.010 3.450 -0.024 + 1121TIP3 OH239947 0.281 3.698 0.617 + 1121TIP3 H139948 0.200 3.752 0.624 + 1121TIP3 H239949 0.330 3.720 0.699 + 1121TIP3 OH239950 0.278 -4.331 -0.206 + 1121TIP3 H139951 0.208 -4.391 -0.238 + 1121TIP3 H239952 0.267 -4.329 -0.110 + 1121TIP3 OH239953 1.040 4.266 0.679 + 1121TIP3 H139954 1.068 4.311 0.597 + 1121TIP3 H239955 0.945 4.258 0.659 + 1121TIP3 OH239956 0.710 3.616 -0.411 + 1121TIP3 H139957 0.611 3.614 -0.416 + 1121TIP3 H239958 0.727 3.690 -0.350 + 1121TIP3 OH239959 0.777 3.798 -0.202 + 1121TIP3 H139960 0.866 3.781 -0.166 + 1121TIP3 H239961 0.788 3.884 -0.247 + 1121TIP3 OH239962 -0.161 4.252 0.387 + 1121TIP3 H139963 -0.109 4.240 0.305 + 1121TIP3 H239964 -0.159 4.163 0.425 + 1121TIP3 OH239965 -0.462 4.079 0.916 + 1121TIP3 H139966 -0.452 4.042 1.006 + 1121TIP3 H239967 -0.536 4.028 0.879 + 1122TIP3 OH239968 0.229 4.051 1.120 + 1122TIP3 H139969 0.194 4.027 1.032 + 1122TIP3 H239970 0.323 4.027 1.110 + 1122TIP3 OH239971 1.235 3.798 -0.233 + 1122TIP3 H139972 1.181 3.779 -0.311 + 1122TIP3 H239973 1.248 3.893 -0.247 + 1122TIP3 OH239974 0.783 4.186 0.541 + 1122TIP3 H139975 0.692 4.173 0.511 + 1122TIP3 H239976 0.834 4.133 0.478 + 1122TIP3 OH239977 -0.363 4.094 -0.428 + 1122TIP3 H139978 -0.304 4.155 -0.381 + 1122TIP3 H239979 -0.448 4.112 -0.383 + 1122TIP3 OH239980 -0.336 3.566 0.883 + 1122TIP3 H139981 -0.427 3.589 0.855 + 1122TIP3 H239982 -0.350 3.477 0.922 + 1122TIP3 OH239983 -0.185 -4.387 -0.241 + 1122TIP3 H139984 -0.277 -4.353 -0.230 + 1122TIP3 H239985 -0.141 -4.306 -0.271 + 1122TIP3 OH239986 0.560 3.549 0.736 + 1122TIP3 H139987 0.623 3.576 0.805 + 1122TIP3 H239988 0.512 3.474 0.778 + 1122TIP3 OH239989 0.624 3.494 -0.138 + 1122TIP3 H139990 0.643 3.545 -0.218 + 1122TIP3 H239991 0.672 3.543 -0.070 + 1122TIP3 OH239992 0.367 3.693 -0.043 + 1122TIP3 H139993 0.444 3.750 -0.028 + 1122TIP3 H239994 0.336 3.675 0.048 + 1122TIP3 OH239995 0.407 3.792 0.874 + 1122TIP3 H139996 0.411 3.839 0.958 + 1122TIP3 H239997 0.454 3.710 0.895 + 1123TIP3 OH239998 0.425 3.394 0.050 + 1123TIP3 H139999 0.407 3.463 0.117 + 1123TIP3 H240000 0.498 3.435 -0.001 + 1123TIP3 OH240001 -0.002 3.494 -0.297 + 1123TIP3 H140002 -0.000 3.570 -0.236 + 1123TIP3 H240003 0.079 3.446 -0.270 + 1123TIP3 OH240004 1.031 3.585 0.961 + 1123TIP3 H140005 0.935 3.596 0.946 + 1123TIP3 H240006 1.056 3.562 0.870 + 1123TIP3 OH240007 0.882 3.967 0.357 + 1123TIP3 H140008 0.800 3.919 0.336 + 1123TIP3 H240009 0.932 3.901 0.409 + 1123TIP3 OH240010 -0.350 3.800 -0.475 + 1123TIP3 H140011 -0.335 3.895 -0.459 + 1123TIP3 H240012 -0.434 3.800 -0.522 + 1123TIP3 OH240013 -0.256 3.303 0.399 + 1123TIP3 H140014 -0.275 3.299 0.303 + 1123TIP3 H240015 -0.289 3.217 0.430 + 1123TIP3 OH240016 -0.406 4.306 1.207 + 1123TIP3 H140017 -0.427 4.211 1.208 + 1123TIP3 H240018 -0.486 4.349 1.179 + 1123TIP3 OH240019 0.185 4.329 1.158 + 1123TIP3 H140020 0.186 4.345 1.062 + 1123TIP3 H240021 0.219 4.237 1.163 + 1123TIP3 OH240022 0.786 -4.376 0.933 + 1123TIP3 H140023 0.866 -4.333 0.900 + 1123TIP3 H240024 0.719 -4.309 0.915 + 1123TIP3 OH240025 -0.348 4.024 1.178 + 1123TIP3 H140026 -0.271 3.966 1.171 + 1123TIP3 H240027 -0.347 4.045 1.273 + 1124TIP3 OH240028 0.109 4.161 -0.303 + 1124TIP3 H140029 0.040 4.115 -0.255 + 1124TIP3 H240030 0.127 4.100 -0.377 + 1124TIP3 OH240031 0.025 3.933 0.919 + 1124TIP3 H140032 -0.033 4.010 0.935 + 1124TIP3 H240033 0.087 3.969 0.854 + 1124TIP3 OH240034 0.191 3.957 -0.488 + 1124TIP3 H140035 0.190 3.972 -0.584 + 1124TIP3 H240036 0.287 3.959 -0.470 + 1124TIP3 OH240037 0.554 4.215 1.275 + 1124TIP3 H140038 0.640 4.196 1.237 + 1124TIP3 H240039 0.519 4.128 1.295 + 1124TIP3 OH240040 1.125 4.189 -0.567 + 1124TIP3 H140041 1.113 4.187 -0.663 + 1124TIP3 H240042 1.124 4.285 -0.545 + 1124TIP3 OH240043 0.082 3.663 1.030 + 1124TIP3 H140044 0.087 3.597 0.958 + 1124TIP3 H240045 0.060 3.744 0.980 + 1124TIP3 OH240046 0.114 3.511 0.775 + 1124TIP3 H140047 0.165 3.562 0.709 + 1124TIP3 H240048 0.023 3.513 0.738 + 1124TIP3 OH240049 0.264 4.066 0.806 + 1124TIP3 H140050 0.348 4.053 0.760 + 1124TIP3 H240051 0.230 4.148 0.766 + 1124TIP3 OH240052 0.729 3.849 1.294 + 1124TIP3 H140053 0.749 3.755 1.303 + 1124TIP3 H240054 0.818 3.887 1.287 + 1124TIP3 OH240055 0.823 4.136 1.128 + 1124TIP3 H140056 0.800 4.208 1.064 + 1124TIP3 H240057 0.914 4.118 1.101 + 1125TIP3 OH240058 -0.104 3.851 1.209 + 1125TIP3 H140059 -0.154 3.767 1.208 + 1125TIP3 H240060 -0.021 3.824 1.165 + 1125TIP3 OH240061 0.186 3.244 0.810 + 1125TIP3 H140062 0.168 3.339 0.794 + 1125TIP3 H240063 0.117 3.201 0.756 + 1125TIP3 OH240064 0.313 3.702 1.188 + 1125TIP3 H140065 0.279 3.680 1.276 + 1125TIP3 H240066 0.234 3.682 1.134 + 1125TIP3 OH240067 0.567 3.608 1.076 + 1125TIP3 H140068 0.478 3.611 1.117 + 1125TIP3 H240069 0.613 3.543 1.132 + 1125TIP3 OH240070 0.751 3.455 1.247 + 1125TIP3 H140071 0.737 3.359 1.262 + 1125TIP3 H240072 0.733 3.493 1.335 + 1125TIP3 OH240073 -0.231 3.594 1.193 + 1125TIP3 H140074 -0.240 3.524 1.126 + 1125TIP3 H240075 -0.254 3.546 1.275 + 1125TIP3 OH240076 0.171 3.192 1.092 + 1125TIP3 H140077 0.230 3.115 1.097 + 1125TIP3 H240078 0.168 3.207 0.995 + 1125TIP3 OH240079 0.265 3.379 1.277 + 1125TIP3 H140080 0.236 3.319 1.205 + 1125TIP3 H240081 0.195 3.446 1.278 + 1125TIP3 OH240082 1.206 4.366 -0.118 + 1125TIP3 H140083 1.299 4.361 -0.143 + 1125TIP3 H240084 1.186 4.278 -0.082 + 1125TIP3 OH240085 1.241 4.128 0.037 + 1125TIP3 H140086 1.161 4.089 0.079 + 1125TIP3 H240087 1.297 4.151 0.114 + 1126TIP3 OH240088 1.258 4.093 -0.309 + 1126TIP3 H140089 1.195 4.117 -0.380 + 1126TIP3 H240090 1.246 4.167 -0.248 + 1126TIP3 OH240091 1.086 3.843 -0.475 + 1126TIP3 H140092 1.105 3.907 -0.545 + 1126TIP3 H240093 1.062 3.763 -0.525 + 1126TIP3 OH240094 1.005 3.967 0.109 + 1126TIP3 H140095 1.011 3.870 0.098 + 1126TIP3 H240096 0.976 3.974 0.203 + 1126TIP3 OH240097 -0.501 4.186 0.511 + 1126TIP3 H140098 -0.491 4.203 0.416 + 1126TIP3 H240099 -0.410 4.161 0.537 + 1126TIP3 OH240100 1.099 4.161 1.037 + 1126TIP3 H140101 1.171 4.101 1.061 + 1126TIP3 H240102 1.143 4.244 1.010 + 1126TIP3 OH240103 1.242 3.965 1.152 + 1126TIP3 H140104 1.161 3.912 1.134 + 1126TIP3 H240105 1.310 3.896 1.156 + 1126TIP3 OH240106 1.031 3.578 -0.557 + 1126TIP3 H140107 1.089 3.529 -0.496 + 1126TIP3 H240108 0.951 3.524 -0.562 + 1126TIP3 OH240109 1.013 3.706 -0.059 + 1126TIP3 H140110 1.038 3.611 -0.054 + 1126TIP3 H240111 1.094 3.742 -0.101 + 1126TIP3 OH240112 1.035 3.768 0.482 + 1126TIP3 H140113 1.132 3.779 0.481 + 1126TIP3 H240114 1.020 3.770 0.578 + 1126TIP3 OH240115 1.052 3.837 0.765 + 1126TIP3 H140116 0.966 3.875 0.789 + 1126TIP3 H240117 1.103 3.918 0.741 + 1127TIP3 OH240118 -0.501 3.716 1.135 + 1127TIP3 H140119 -0.407 3.690 1.134 + 1127TIP3 H240120 -0.545 3.630 1.139 + 1127TIP3 OH240121 1.307 3.253 1.294 + 1127TIP3 H140122 1.348 3.183 1.239 + 1127TIP3 H240123 1.310 3.330 1.234 + 1127TIP3 OH240124 1.059 3.427 -0.064 + 1127TIP3 H140125 1.070 3.394 0.027 + 1127TIP3 H240126 0.979 3.378 -0.092 + 1127TIP3 OH240127 -0.423 3.547 0.412 + 1127TIP3 H140128 -0.378 3.461 0.419 + 1127TIP3 H240129 -0.354 3.607 0.447 + 1127TIP3 OH240130 -0.568 3.815 0.518 + 1127TIP3 H140131 -0.509 3.812 0.441 + 1127TIP3 H240132 -0.535 3.894 0.563 + 1127TIP3 OH240133 1.245 3.458 1.117 + 1127TIP3 H140134 1.157 3.499 1.123 + 1127TIP3 H240135 1.233 3.402 1.038 + 1127TIP3 OH240136 1.255 3.475 -0.397 + 1127TIP3 H140137 1.286 3.395 -0.442 + 1127TIP3 H240138 1.336 3.527 -0.389 + 1127TIP3 OH240139 -0.519 3.448 -0.078 + 1127TIP3 H140140 -0.614 3.452 -0.098 + 1127TIP3 H240141 -0.479 3.508 -0.143 + 1127TIP3 OH240142 -0.514 3.339 0.739 + 1127TIP3 H140143 -0.586 3.309 0.796 + 1127TIP3 H240144 -0.564 3.387 0.670 + 1127TIP3 OH240145 1.132 3.280 0.916 + 1127TIP3 H140146 1.051 3.299 0.865 + 1127TIP3 H240147 1.154 3.190 0.883 + 1128TIP3 OH240148 0.473 3.431 0.361 + 1128TIP3 H140149 0.405 3.362 0.377 + 1128TIP3 H240150 0.535 3.383 0.302 + 1128TIP3 OH240151 0.970 3.234 0.410 + 1128TIP3 H140152 1.046 3.277 0.367 + 1128TIP3 H240153 0.896 3.260 0.353 + 1128TIP3 OH240154 1.177 3.343 0.195 + 1128TIP3 H140155 1.248 3.300 0.144 + 1128TIP3 H240156 1.211 3.434 0.204 + 1128TIP3 OH240157 -0.299 3.295 0.118 + 1128TIP3 H140158 -0.383 3.283 0.070 + 1128TIP3 H240159 -0.258 3.207 0.104 + 1128TIP3 OH240160 -0.412 3.252 -0.296 + 1128TIP3 H140161 -0.358 3.317 -0.345 + 1128TIP3 H240162 -0.449 3.305 -0.225 + 1128TIP3 OH240163 0.156 3.285 0.105 + 1128TIP3 H140164 0.249 3.311 0.091 + 1128TIP3 H240165 0.153 3.272 0.200 + 1128TIP3 OH240166 0.715 3.288 0.246 + 1128TIP3 H140167 0.743 3.270 0.156 + 1128TIP3 H240168 0.677 3.202 0.272 + 1128TIP3 OH240169 0.826 3.288 -0.154 + 1128TIP3 H140170 0.744 3.338 -0.169 + 1128TIP3 H240171 0.792 3.198 -0.139 + 1128TIP3 OH240172 -0.238 3.434 -0.451 + 1128TIP3 H140173 -0.177 3.376 -0.501 + 1128TIP3 H240174 -0.179 3.466 -0.380 + 1128TIP3 OH240175 0.271 3.451 -0.190 + 1128TIP3 H140176 0.306 3.392 -0.120 + 1128TIP3 H240177 0.292 3.537 -0.151 + 1129TIP3 OH240178 -0.311 3.325 1.072 + 1129TIP3 H140179 -0.351 3.243 1.106 + 1129TIP3 H240180 -0.218 3.312 1.097 + 1129TIP3 OH240181 -0.072 3.264 1.245 + 1129TIP3 H140182 0.010 3.229 1.204 + 1129TIP3 H240183 -0.107 3.184 1.287 + 1129TIP3 OH240184 0.740 3.175 1.262 + 1129TIP3 H140185 0.744 3.132 1.349 + 1129TIP3 H240186 0.834 3.171 1.235 + 1129TIP3 OH240187 2.498 4.203 0.126 + 1129TIP3 H140188 2.468 4.295 0.126 + 1129TIP3 H240189 2.424 4.160 0.080 + 1129TIP3 OH240190 2.377 4.133 0.454 + 1129TIP3 H140191 2.382 4.079 0.535 + 1129TIP3 H240192 2.354 4.068 0.387 + 1129TIP3 OH240193 1.623 4.082 0.615 + 1129TIP3 H140194 1.621 4.007 0.677 + 1129TIP3 H240195 1.697 4.133 0.651 + 1129TIP3 OH240196 1.393 3.885 0.007 + 1129TIP3 H140197 1.350 3.972 0.014 + 1129TIP3 H240198 1.324 3.832 -0.034 + 1129TIP3 OH240199 1.487 4.135 0.194 + 1129TIP3 H140200 1.486 4.055 0.250 + 1129TIP3 H240201 1.567 4.120 0.143 + 1129TIP3 OH240202 3.098 3.522 0.572 + 1129TIP3 H140203 3.122 3.585 0.642 + 1129TIP3 H240204 3.158 3.550 0.501 + 1129TIP3 OH240205 2.561 3.804 0.560 + 1129TIP3 H140206 2.575 3.707 0.564 + 1129TIP3 H240207 2.552 3.818 0.465 + 1130TIP3 OH240208 1.859 3.605 0.267 + 1130TIP3 H140209 1.872 3.691 0.222 + 1130TIP3 H240210 1.823 3.553 0.192 + 1130TIP3 OH240211 2.643 3.622 0.098 + 1130TIP3 H140212 2.702 3.580 0.165 + 1130TIP3 H240213 2.709 3.667 0.043 + 1130TIP3 OH240214 1.524 3.877 0.318 + 1130TIP3 H140215 1.589 3.831 0.374 + 1130TIP3 H240216 1.535 3.829 0.234 + 1130TIP3 OH240217 2.068 4.018 0.266 + 1130TIP3 H140218 2.135 3.960 0.305 + 1130TIP3 H240219 2.013 3.954 0.216 + 1130TIP3 OH240220 3.171 3.661 0.821 + 1130TIP3 H140221 3.113 3.732 0.790 + 1130TIP3 H240222 3.146 3.656 0.914 + 1130TIP3 OH240223 1.737 3.484 0.683 + 1130TIP3 H140224 1.697 3.535 0.611 + 1130TIP3 H240225 1.672 3.498 0.754 + 1130TIP3 OH240226 2.010 4.266 0.660 + 1130TIP3 H140227 1.929 4.319 0.667 + 1130TIP3 H240228 2.075 4.337 0.653 + 1130TIP3 OH240229 2.826 3.546 0.302 + 1130TIP3 H140230 2.786 3.488 0.369 + 1130TIP3 H240231 2.878 3.607 0.357 + 1130TIP3 OH240232 1.698 3.689 0.477 + 1130TIP3 H140233 1.762 3.746 0.524 + 1130TIP3 H240234 1.755 3.653 0.406 + 1130TIP3 OH240235 2.839 3.461 0.686 + 1130TIP3 H140236 2.762 3.501 0.641 + 1130TIP3 H240237 2.911 3.481 0.624 + 1131TIP3 OH240238 2.151 3.232 0.390 + 1131TIP3 H140239 2.129 3.138 0.387 + 1131TIP3 H240240 2.069 3.271 0.428 + 1131TIP3 OH240241 2.349 4.144 -0.134 + 1131TIP3 H140242 2.284 4.178 -0.198 + 1131TIP3 H240243 2.427 4.134 -0.192 + 1131TIP3 OH240244 2.390 3.942 -0.416 + 1131TIP3 H140245 2.463 3.979 -0.363 + 1131TIP3 H240246 2.439 3.892 -0.483 + 1131TIP3 OH240247 3.102 4.056 0.691 + 1131TIP3 H140248 3.036 4.128 0.703 + 1131TIP3 H240249 3.153 4.094 0.616 + 1131TIP3 OH240250 2.721 4.141 -0.033 + 1131TIP3 H140251 2.655 4.162 0.036 + 1131TIP3 H240252 2.787 4.090 0.017 + 1131TIP3 OH240253 2.694 3.981 0.859 + 1131TIP3 H140254 2.697 4.058 0.917 + 1131TIP3 H240255 2.638 4.017 0.788 + 1131TIP3 OH240256 1.872 4.205 0.162 + 1131TIP3 H140257 1.853 4.181 0.069 + 1131TIP3 H240258 1.953 4.154 0.179 + 1131TIP3 OH240259 1.925 4.069 0.500 + 1131TIP3 H140260 1.984 4.074 0.422 + 1131TIP3 H240261 1.959 4.142 0.556 + 1131TIP3 OH240262 2.601 4.075 -0.269 + 1131TIP3 H140263 2.659 4.101 -0.194 + 1131TIP3 H240264 2.648 4.119 -0.345 + 1131TIP3 OH240265 1.713 4.148 0.887 + 1131TIP3 H140266 1.724 4.211 0.961 + 1131TIP3 H240267 1.616 4.139 0.886 + 1132TIP3 OH240268 2.951 3.247 -0.328 + 1132TIP3 H140269 2.865 3.258 -0.283 + 1132TIP3 H240270 2.988 3.337 -0.323 + 1132TIP3 OH240271 1.760 4.089 -0.088 + 1132TIP3 H140272 1.745 4.167 -0.146 + 1132TIP3 H240273 1.698 4.024 -0.125 + 1132TIP3 OH240274 1.353 4.308 0.789 + 1132TIP3 H140275 1.360 4.293 0.693 + 1132TIP3 H240276 1.390 4.225 0.825 + 1132TIP3 OH240277 2.893 3.838 1.093 + 1132TIP3 H140278 2.842 3.876 1.020 + 1132TIP3 H240279 2.898 3.744 1.066 + 1132TIP3 OH240280 1.909 3.347 0.483 + 1132TIP3 H140281 1.827 3.343 0.431 + 1132TIP3 H240282 1.889 3.422 0.541 + 1132TIP3 OH240283 2.346 3.305 0.846 + 1132TIP3 H140284 2.399 3.254 0.910 + 1132TIP3 H240285 2.256 3.272 0.860 + 1132TIP3 OH240286 2.664 3.685 0.900 + 1132TIP3 H140287 2.601 3.670 0.973 + 1132TIP3 H240288 2.654 3.781 0.882 + 1132TIP3 OH240289 2.740 4.177 -0.476 + 1132TIP3 H140290 2.735 4.158 -0.571 + 1132TIP3 H240291 2.829 4.215 -0.469 + 1132TIP3 OH240292 2.326 3.558 -0.427 + 1132TIP3 H140293 2.277 3.544 -0.345 + 1132TIP3 H240294 2.286 3.490 -0.484 + 1132TIP3 OH240295 1.895 3.824 0.626 + 1132TIP3 H140296 1.835 3.838 0.701 + 1132TIP3 H240297 1.904 3.914 0.588 + 1133TIP3 OH240298 1.890 3.834 0.111 + 1133TIP3 H140299 1.794 3.826 0.094 + 1133TIP3 H240300 1.924 3.816 0.021 + 1133TIP3 OH240301 2.450 3.899 -0.009 + 1133TIP3 H140302 2.404 3.975 -0.049 + 1133TIP3 H240303 2.518 3.879 -0.076 + 1133TIP3 OH240304 2.370 3.921 1.133 + 1133TIP3 H140305 2.319 3.843 1.165 + 1133TIP3 H240306 2.458 3.904 1.170 + 1133TIP3 OH240307 2.533 3.830 0.266 + 1133TIP3 H140308 2.506 3.885 0.190 + 1133TIP3 H240309 2.559 3.749 0.218 + 1133TIP3 OH240310 1.634 3.841 0.803 + 1133TIP3 H140311 1.655 3.878 0.889 + 1133TIP3 H240312 1.598 3.754 0.827 + 1133TIP3 OH240313 1.970 3.603 -0.536 + 1133TIP3 H140314 1.934 3.567 -0.453 + 1133TIP3 H240315 1.891 3.616 -0.590 + 1133TIP3 OH240316 1.314 3.591 0.171 + 1133TIP3 H140317 1.375 3.588 0.247 + 1133TIP3 H240318 1.365 3.552 0.099 + 1133TIP3 OH240319 1.473 3.634 -0.258 + 1133TIP3 H140320 1.527 3.682 -0.324 + 1133TIP3 H240321 1.403 3.699 -0.240 + 1133TIP3 OH240322 2.432 3.997 0.710 + 1133TIP3 H140323 2.486 3.930 0.662 + 1133TIP3 H240324 2.405 3.945 0.787 + 1133TIP3 OH240325 2.166 3.592 0.214 + 1133TIP3 H140326 2.071 3.591 0.237 + 1133TIP3 H240327 2.207 3.576 0.301 + 1134TIP3 OH240328 1.622 3.716 0.083 + 1134TIP3 H140329 1.541 3.744 0.035 + 1134TIP3 H240330 1.651 3.638 0.034 + 1134TIP3 OH240331 1.987 3.751 -0.150 + 1134TIP3 H140332 2.083 3.759 -0.146 + 1134TIP3 H240333 1.962 3.810 -0.224 + 1134TIP3 OH240334 2.605 3.507 0.516 + 1134TIP3 H140335 2.541 3.508 0.591 + 1134TIP3 H240336 2.547 3.474 0.445 + 1134TIP3 OH240337 1.830 3.876 -0.372 + 1134TIP3 H140338 1.774 3.844 -0.445 + 1134TIP3 H240339 1.912 3.897 -0.420 + 1134TIP3 OH240340 1.724 4.316 1.094 + 1134TIP3 H140341 1.780 4.364 1.158 + 1134TIP3 H240342 1.643 4.304 1.148 + 1134TIP3 OH240343 2.266 3.848 0.395 + 1134TIP3 H140344 2.343 3.809 0.352 + 1134TIP3 H240345 2.253 3.789 0.472 + 1134TIP3 OH240346 1.799 3.489 0.015 + 1134TIP3 H140347 1.743 3.411 0.028 + 1134TIP3 H240348 1.877 3.452 -0.027 + 1134TIP3 OH240349 2.165 3.693 0.621 + 1134TIP3 H140350 2.088 3.753 0.622 + 1134TIP3 H240351 2.215 3.721 0.700 + 1134TIP3 OH240352 2.130 4.365 -0.160 + 1134TIP3 H140353 2.099 4.302 -0.227 + 1134TIP3 H240354 2.193 4.317 -0.106 + 1134TIP3 OH240355 2.926 4.266 0.678 + 1134TIP3 H140356 2.951 4.312 0.596 + 1134TIP3 H240357 2.831 4.256 0.659 + 1135TIP3 OH240358 2.595 3.615 -0.411 + 1135TIP3 H140359 2.497 3.614 -0.416 + 1135TIP3 H240360 2.614 3.689 -0.350 + 1135TIP3 OH240361 2.663 3.798 -0.204 + 1135TIP3 H140362 2.751 3.781 -0.166 + 1135TIP3 H240363 2.675 3.884 -0.247 + 1135TIP3 OH240364 1.719 4.247 0.380 + 1135TIP3 H140365 1.779 4.239 0.303 + 1135TIP3 H240366 1.733 4.162 0.424 + 1135TIP3 OH240367 1.427 4.080 0.915 + 1135TIP3 H140368 1.436 4.043 1.005 + 1135TIP3 H240369 1.352 4.030 0.878 + 1135TIP3 OH240370 2.115 4.049 1.120 + 1135TIP3 H140371 2.081 4.028 1.031 + 1135TIP3 H240372 2.209 4.028 1.110 + 1135TIP3 OH240373 3.120 3.798 -0.230 + 1135TIP3 H140374 3.067 3.777 -0.310 + 1135TIP3 H240375 3.134 3.893 -0.247 + 1135TIP3 OH240376 2.668 4.181 0.546 + 1135TIP3 H140377 2.577 4.182 0.513 + 1135TIP3 H240378 2.716 4.134 0.475 + 1135TIP3 OH240379 1.523 4.095 -0.429 + 1135TIP3 H140380 1.582 4.155 -0.381 + 1135TIP3 H240381 1.438 4.112 -0.383 + 1135TIP3 OH240382 1.549 3.565 0.882 + 1135TIP3 H140383 1.459 3.590 0.856 + 1135TIP3 H240384 1.535 3.477 0.923 + 1135TIP3 OH240385 1.699 -4.387 -0.244 + 1135TIP3 H140386 1.609 -4.352 -0.229 + 1135TIP3 H240387 1.746 -4.306 -0.268 + 1136TIP3 OH240388 2.447 3.549 0.736 + 1136TIP3 H140389 2.508 3.576 0.805 + 1136TIP3 H240390 2.398 3.475 0.777 + 1136TIP3 OH240391 2.509 3.493 -0.138 + 1136TIP3 H140392 2.528 3.544 -0.218 + 1136TIP3 H240393 2.557 3.543 -0.070 + 1136TIP3 OH240394 2.253 3.692 -0.044 + 1136TIP3 H140395 2.329 3.751 -0.029 + 1136TIP3 H240396 2.223 3.676 0.048 + 1136TIP3 OH240397 2.292 3.791 0.874 + 1136TIP3 H140398 2.296 3.840 0.957 + 1136TIP3 H240399 2.340 3.711 0.896 + 1136TIP3 OH240400 2.310 3.393 0.051 + 1136TIP3 H140401 2.289 3.463 0.115 + 1136TIP3 H240402 2.383 3.434 0.000 + 1136TIP3 OH240403 1.883 3.494 -0.297 + 1136TIP3 H140404 1.886 3.571 -0.237 + 1136TIP3 H240405 1.965 3.447 -0.270 + 1136TIP3 OH240406 2.917 3.584 0.961 + 1136TIP3 H140407 2.821 3.597 0.946 + 1136TIP3 H240408 2.942 3.562 0.870 + 1136TIP3 OH240409 2.769 3.967 0.356 + 1136TIP3 H140410 2.685 3.923 0.337 + 1136TIP3 H240411 2.816 3.899 0.409 + 1136TIP3 OH240412 1.536 3.800 -0.475 + 1136TIP3 H140413 1.551 3.895 -0.459 + 1136TIP3 H240414 1.452 3.801 -0.522 + 1136TIP3 OH240415 1.633 3.303 0.400 + 1136TIP3 H140416 1.613 3.302 0.304 + 1136TIP3 H240417 1.595 3.218 0.430 + 1137TIP3 OH240418 1.479 4.307 1.206 + 1137TIP3 H140419 1.458 4.212 1.210 + 1137TIP3 H240420 1.398 4.350 1.179 + 1137TIP3 OH240421 2.070 4.329 1.160 + 1137TIP3 H140422 2.071 4.346 1.063 + 1137TIP3 H240423 2.105 4.237 1.163 + 1137TIP3 OH240424 2.672 -4.376 0.934 + 1137TIP3 H140425 2.751 -4.332 0.899 + 1137TIP3 H240426 2.603 -4.311 0.913 + 1137TIP3 OH240427 1.537 4.024 1.178 + 1137TIP3 H140428 1.615 3.966 1.171 + 1137TIP3 H240429 1.539 4.045 1.273 + 1137TIP3 OH240430 1.995 4.161 -0.314 + 1137TIP3 H140431 1.930 4.119 -0.257 + 1137TIP3 H240432 2.010 4.092 -0.382 + 1137TIP3 OH240433 1.911 3.933 0.918 + 1137TIP3 H140434 1.853 4.010 0.935 + 1137TIP3 H240435 1.973 3.970 0.853 + 1137TIP3 OH240436 2.078 3.957 -0.487 + 1137TIP3 H140437 2.076 3.971 -0.584 + 1137TIP3 H240438 2.174 3.956 -0.470 + 1137TIP3 OH240439 2.440 4.216 1.273 + 1137TIP3 H140440 2.526 4.194 1.236 + 1137TIP3 H240441 2.404 4.130 1.297 + 1137TIP3 OH240442 3.007 4.189 -0.565 + 1137TIP3 H140443 3.003 4.181 -0.661 + 1137TIP3 H240444 3.012 4.285 -0.549 + 1137TIP3 OH240445 1.967 3.664 1.029 + 1137TIP3 H140446 1.973 3.598 0.958 + 1137TIP3 H240447 1.946 3.745 0.980 + 1138TIP3 OH240448 2.000 3.509 0.773 + 1138TIP3 H140449 2.052 3.563 0.711 + 1138TIP3 H240450 1.909 3.515 0.738 + 1138TIP3 OH240451 2.150 4.066 0.805 + 1138TIP3 H140452 2.234 4.055 0.758 + 1138TIP3 H240453 2.115 4.148 0.765 + 1138TIP3 OH240454 2.614 3.849 1.293 + 1138TIP3 H140455 2.634 3.755 1.305 + 1138TIP3 H240456 2.703 3.887 1.287 + 1138TIP3 OH240457 2.709 4.137 1.129 + 1138TIP3 H140458 2.685 4.208 1.065 + 1138TIP3 H240459 2.800 4.118 1.099 + 1138TIP3 OH240460 1.781 3.851 1.208 + 1138TIP3 H140461 1.731 3.767 1.208 + 1138TIP3 H240462 1.864 3.825 1.165 + 1138TIP3 OH240463 2.072 3.243 0.809 + 1138TIP3 H140464 2.056 3.338 0.793 + 1138TIP3 H240465 2.000 3.203 0.756 + 1138TIP3 OH240466 2.200 3.701 1.188 + 1138TIP3 H140467 2.164 3.681 1.276 + 1138TIP3 H240468 2.120 3.682 1.134 + 1138TIP3 OH240469 2.451 3.607 1.075 + 1138TIP3 H140470 2.363 3.612 1.117 + 1138TIP3 H240471 2.497 3.543 1.133 + 1138TIP3 OH240472 2.639 3.454 1.248 + 1138TIP3 H140473 2.621 3.359 1.263 + 1138TIP3 H240474 2.618 3.494 1.334 + 1138TIP3 OH240475 1.654 3.594 1.193 + 1138TIP3 H140476 1.646 3.524 1.126 + 1138TIP3 H240477 1.631 3.546 1.275 + 1139TIP3 OH240478 2.056 3.192 1.091 + 1139TIP3 H140479 2.115 3.115 1.097 + 1139TIP3 H240480 2.054 3.207 0.995 + 1139TIP3 OH240481 2.150 3.379 1.277 + 1139TIP3 H140482 2.119 3.319 1.205 + 1139TIP3 H240483 2.082 3.447 1.279 + 1139TIP3 OH240484 3.089 4.361 -0.127 + 1139TIP3 H140485 3.184 4.362 -0.141 + 1139TIP3 H240486 3.073 4.279 -0.079 + 1139TIP3 OH240487 3.125 4.134 0.039 + 1139TIP3 H140488 3.049 4.088 0.079 + 1139TIP3 H240489 3.184 4.150 0.115 + 1139TIP3 OH240490 3.139 4.091 -0.305 + 1139TIP3 H140491 3.080 4.115 -0.379 + 1139TIP3 H240492 3.130 4.168 -0.248 + 1139TIP3 OH240493 2.970 3.844 -0.476 + 1139TIP3 H140494 2.992 3.906 -0.547 + 1139TIP3 H240495 2.947 3.762 -0.524 + 1139TIP3 OH240496 2.899 3.966 0.113 + 1139TIP3 H140497 2.898 3.870 0.099 + 1139TIP3 H240498 2.864 3.973 0.204 + 1139TIP3 OH240499 1.386 4.188 0.511 + 1139TIP3 H140500 1.396 4.203 0.416 + 1139TIP3 H240501 1.477 4.160 0.536 + 1139TIP3 OH240502 2.985 4.161 1.036 + 1139TIP3 H140503 3.058 4.101 1.062 + 1139TIP3 H240504 3.029 4.244 1.010 + 1139TIP3 OH240505 3.128 3.965 1.151 + 1139TIP3 H140506 3.047 3.913 1.133 + 1139TIP3 H240507 3.196 3.895 1.155 + 1140TIP3 OH240508 2.915 3.580 -0.554 + 1140TIP3 H140509 2.976 3.529 -0.498 + 1140TIP3 H240510 2.837 3.523 -0.562 + 1140TIP3 OH240511 2.898 3.706 -0.060 + 1140TIP3 H140512 2.923 3.611 -0.055 + 1140TIP3 H240513 2.978 3.743 -0.101 + 1140TIP3 OH240514 2.920 3.766 0.482 + 1140TIP3 H140515 3.017 3.779 0.480 + 1140TIP3 H240516 2.905 3.771 0.578 + 1140TIP3 OH240517 2.938 3.837 0.766 + 1140TIP3 H140518 2.851 3.875 0.789 + 1140TIP3 H240519 2.988 3.918 0.741 + 1140TIP3 OH240520 1.385 3.716 1.133 + 1140TIP3 H140521 1.478 3.690 1.135 + 1140TIP3 H240522 1.341 3.629 1.139 + 1140TIP3 OH240523 3.194 3.253 1.294 + 1140TIP3 H140524 3.234 3.184 1.239 + 1140TIP3 H240525 3.196 3.330 1.234 + 1140TIP3 OH240526 2.944 3.427 -0.064 + 1140TIP3 H140527 2.957 3.395 0.027 + 1140TIP3 H240528 2.864 3.378 -0.091 + 1140TIP3 OH240529 1.463 3.547 0.412 + 1140TIP3 H140530 1.509 3.462 0.420 + 1140TIP3 H240531 1.531 3.608 0.446 + 1140TIP3 OH240532 1.317 3.815 0.518 + 1140TIP3 H140533 1.377 3.812 0.441 + 1140TIP3 H240534 1.350 3.893 0.564 + 1140TIP3 OH240535 3.131 3.458 1.118 + 1140TIP3 H140536 3.043 3.500 1.122 + 1140TIP3 H240537 3.119 3.403 1.039 + 1141TIP3 OH240538 3.142 3.475 -0.396 + 1141TIP3 H140539 3.173 3.396 -0.443 + 1141TIP3 H240540 3.223 3.530 -0.393 + 1141TIP3 OH240541 1.367 3.448 -0.079 + 1141TIP3 H140542 1.272 3.453 -0.099 + 1141TIP3 H240543 1.407 3.509 -0.144 + 1141TIP3 OH240544 1.371 3.337 0.737 + 1141TIP3 H140545 1.301 3.309 0.797 + 1141TIP3 H240546 1.321 3.389 0.671 + 1141TIP3 OH240547 3.017 3.280 0.916 + 1141TIP3 H140548 2.937 3.301 0.865 + 1141TIP3 H240549 3.039 3.191 0.883 + 1141TIP3 OH240550 2.360 3.428 0.365 + 1141TIP3 H140551 2.290 3.361 0.375 + 1141TIP3 H240552 2.420 3.384 0.302 + 1141TIP3 OH240553 2.855 3.232 0.409 + 1141TIP3 H140554 2.931 3.276 0.368 + 1141TIP3 H240555 2.781 3.263 0.353 + 1141TIP3 OH240556 3.062 3.342 0.195 + 1141TIP3 H140557 3.134 3.300 0.144 + 1141TIP3 H240558 3.095 3.434 0.204 + 1141TIP3 OH240559 1.594 3.302 0.119 + 1141TIP3 H140560 1.508 3.290 0.074 + 1141TIP3 H240561 1.635 3.215 0.103 + 1141TIP3 OH240562 1.477 3.250 -0.294 + 1141TIP3 H140563 1.528 3.316 -0.345 + 1141TIP3 H240564 1.436 3.305 -0.225 + 1141TIP3 OH240565 2.043 3.272 0.102 + 1141TIP3 H140566 2.131 3.310 0.090 + 1141TIP3 H240567 2.038 3.268 0.198 + 1142TIP3 OH240568 2.601 3.288 0.246 + 1142TIP3 H140569 2.629 3.274 0.154 + 1142TIP3 H240570 2.564 3.202 0.270 + 1142TIP3 OH240571 2.712 3.288 -0.152 + 1142TIP3 H140572 2.630 3.339 -0.169 + 1142TIP3 H240573 2.677 3.197 -0.145 + 1142TIP3 OH240574 1.647 3.432 -0.450 + 1142TIP3 H140575 1.708 3.376 -0.502 + 1142TIP3 H240576 1.707 3.465 -0.381 + 1142TIP3 OH240577 2.156 3.450 -0.188 + 1142TIP3 H140578 2.194 3.394 -0.118 + 1142TIP3 H240579 2.177 3.538 -0.153 + 1142TIP3 OH240580 1.575 3.324 1.071 + 1142TIP3 H140581 1.535 3.243 1.106 + 1142TIP3 H240582 1.667 3.312 1.098 + 1142TIP3 OH240583 1.813 3.263 1.244 + 1142TIP3 H140584 1.895 3.228 1.204 + 1142TIP3 H240585 1.778 3.184 1.288 + 1142TIP3 OH240586 2.626 3.174 1.261 + 1142TIP3 H140587 2.629 3.133 1.349 + 1142TIP3 H240588 2.720 3.171 1.235 + 1142TIP3 OH240589 4.199 4.097 0.478 + 1142TIP3 H140590 4.280 4.132 0.518 + 1142TIP3 H240591 4.225 4.086 0.386 + 1142TIP3 OH240592 3.507 4.083 0.615 + 1142TIP3 H140593 3.507 4.007 0.677 + 1142TIP3 H240594 3.584 4.132 0.647 + 1142TIP3 OH240595 3.277 3.885 0.010 + 1142TIP3 H140596 3.234 3.972 0.012 + 1142TIP3 H240597 3.211 3.832 -0.036 + 1143TIP3 OH240598 3.374 4.136 0.195 + 1143TIP3 H140599 3.372 4.054 0.249 + 1143TIP3 H240600 3.451 4.118 0.140 + 1143TIP3 OH240601 3.746 3.607 0.268 + 1143TIP3 H140602 3.758 3.692 0.221 + 1143TIP3 H240603 3.711 3.553 0.193 + 1143TIP3 OH240604 3.410 3.877 0.318 + 1143TIP3 H140605 3.474 3.830 0.373 + 1143TIP3 H240606 3.420 3.830 0.233 + 1143TIP3 OH240607 3.953 4.015 0.268 + 1143TIP3 H140608 4.026 3.959 0.301 + 1143TIP3 H240609 3.901 3.950 0.218 + 1143TIP3 OH240610 3.624 3.484 0.683 + 1143TIP3 H140611 3.584 3.533 0.610 + 1143TIP3 H240612 3.557 3.499 0.753 + 1143TIP3 OH240613 3.894 4.263 0.667 + 1143TIP3 H140614 3.814 4.318 0.666 + 1143TIP3 H240615 3.962 4.331 0.655 + 1143TIP3 OH240616 3.584 3.688 0.477 + 1143TIP3 H140617 3.649 3.746 0.522 + 1143TIP3 H240618 3.641 3.653 0.405 + 1143TIP3 OH240619 4.043 3.231 0.398 + 1143TIP3 H140620 4.015 3.138 0.395 + 1143TIP3 H240621 3.963 3.274 0.434 + 1143TIP3 OH240622 4.263 4.123 -0.137 + 1143TIP3 H140623 4.194 4.185 -0.166 + 1143TIP3 H240624 4.329 4.138 -0.204 + 1143TIP3 OH240625 4.274 3.931 -0.400 + 1143TIP3 H140626 4.359 3.973 -0.384 + 1143TIP3 H240627 4.272 3.913 -0.494 + 1144TIP3 OH240628 3.755 4.203 0.161 + 1144TIP3 H140629 3.737 4.177 0.069 + 1144TIP3 H240630 3.837 4.153 0.180 + 1144TIP3 OH240631 3.810 4.069 0.501 + 1144TIP3 H140632 3.872 4.069 0.424 + 1144TIP3 H240633 3.847 4.141 0.557 + 1144TIP3 OH240634 3.599 4.145 0.888 + 1144TIP3 H140635 3.610 4.210 0.962 + 1144TIP3 H240636 3.502 4.139 0.885 + 1144TIP3 OH240637 3.643 4.092 -0.086 + 1144TIP3 H140638 3.635 4.166 -0.150 + 1144TIP3 H240639 3.596 4.022 -0.131 + 1144TIP3 OH240640 3.244 4.309 0.789 + 1144TIP3 H140641 3.244 4.292 0.694 + 1144TIP3 H240642 3.276 4.224 0.825 + 1144TIP3 OH240643 3.797 3.347 0.482 + 1144TIP3 H140644 3.716 3.340 0.429 + 1144TIP3 H240645 3.774 3.422 0.539 + 1144TIP3 OH240646 4.233 3.283 0.909 + 1144TIP3 H140647 4.244 3.211 0.971 + 1144TIP3 H240648 4.141 3.267 0.877 + 1144TIP3 OH240649 4.240 3.555 -0.418 + 1144TIP3 H140650 4.168 3.553 -0.353 + 1144TIP3 H240651 4.202 3.496 -0.486 + 1144TIP3 OH240652 3.781 3.825 0.627 + 1144TIP3 H140653 3.716 3.839 0.698 + 1144TIP3 H240654 3.789 3.915 0.588 + 1144TIP3 OH240655 3.776 3.832 0.108 + 1144TIP3 H140656 3.680 3.826 0.093 + 1144TIP3 H240657 3.808 3.822 0.016 + 1145TIP3 OH240658 4.282 3.870 0.030 + 1145TIP3 H140659 4.260 3.962 0.006 + 1145TIP3 H240660 4.315 3.835 -0.052 + 1145TIP3 OH240661 4.256 3.923 1.177 + 1145TIP3 H140662 4.196 3.845 1.169 + 1145TIP3 H240663 4.340 3.879 1.155 + 1145TIP3 OH240664 3.522 3.841 0.803 + 1145TIP3 H140665 3.538 3.879 0.890 + 1145TIP3 H240666 3.484 3.754 0.826 + 1145TIP3 OH240667 3.869 3.573 -0.540 + 1145TIP3 H140668 3.816 3.555 -0.460 + 1145TIP3 H240669 3.812 3.638 -0.585 + 1145TIP3 OH240670 3.198 3.588 0.173 + 1145TIP3 H140671 3.261 3.588 0.247 + 1145TIP3 H240672 3.249 3.554 0.098 + 1145TIP3 OH240673 3.363 3.635 -0.250 + 1145TIP3 H140674 3.411 3.677 -0.325 + 1145TIP3 H240675 3.290 3.698 -0.241 + 1145TIP3 OH240676 4.351 3.969 0.749 + 1145TIP3 H140677 4.380 3.904 0.682 + 1145TIP3 H240678 4.270 3.925 0.781 + 1145TIP3 OH240679 4.049 3.576 0.219 + 1145TIP3 H140680 3.954 3.585 0.239 + 1145TIP3 H240681 4.088 3.589 0.307 + 1145TIP3 OH240682 3.505 3.715 0.084 + 1145TIP3 H140683 3.428 3.744 0.033 + 1145TIP3 H240684 3.538 3.638 0.034 + 1145TIP3 OH240685 3.861 3.762 -0.168 + 1145TIP3 H140686 3.957 3.772 -0.162 + 1145TIP3 H240687 3.838 3.817 -0.246 + 1146TIP3 OH240688 3.610 4.317 1.094 + 1146TIP3 H140689 3.666 4.365 1.157 + 1146TIP3 H240690 3.529 4.304 1.148 + 1146TIP3 OH240691 4.144 3.824 0.356 + 1146TIP3 H140692 4.217 3.782 0.309 + 1146TIP3 H240693 4.165 3.803 0.449 + 1146TIP3 OH240694 3.685 3.489 0.020 + 1146TIP3 H140695 3.627 3.412 0.027 + 1146TIP3 H240696 3.757 3.455 -0.035 + 1146TIP3 OH240697 4.050 3.685 0.623 + 1146TIP3 H140698 3.979 3.749 0.611 + 1146TIP3 H240699 4.102 3.725 0.694 + 1146TIP3 OH240700 4.076 4.349 -0.169 + 1146TIP3 H140701 4.010 4.299 -0.223 + 1146TIP3 H240702 4.053 4.323 -0.079 + 1146TIP3 OH240703 3.609 4.251 0.383 + 1146TIP3 H140704 3.666 4.241 0.303 + 1146TIP3 H240705 3.617 4.164 0.423 + 1146TIP3 OH240706 3.312 4.079 0.915 + 1146TIP3 H140707 3.319 4.042 1.005 + 1146TIP3 H240708 3.237 4.031 0.877 + 1146TIP3 OH240709 4.001 4.047 1.124 + 1146TIP3 H140710 3.966 4.023 1.037 + 1146TIP3 H240711 4.096 4.035 1.112 + 1146TIP3 OH240712 3.396 4.106 -0.439 + 1146TIP3 H140713 3.472 4.137 -0.386 + 1146TIP3 H240714 3.322 4.119 -0.378 + 1146TIP3 OH240715 3.435 3.566 0.884 + 1146TIP3 H140716 3.344 3.590 0.855 + 1146TIP3 H240717 3.420 3.477 0.921 + 1147TIP3 OH240718 3.589 -4.383 -0.242 + 1147TIP3 H140719 3.496 -4.355 -0.231 + 1147TIP3 H240720 3.629 -4.300 -0.271 + 1147TIP3 OH240721 4.334 3.592 0.793 + 1147TIP3 H140722 4.384 3.514 0.818 + 1147TIP3 H240723 4.275 3.555 0.725 + 1147TIP3 OH240724 4.119 3.667 -0.043 + 1147TIP3 H140725 4.179 3.740 -0.017 + 1147TIP3 H240726 4.082 3.648 0.045 + 1147TIP3 OH240727 4.167 3.788 0.874 + 1147TIP3 H140728 4.188 3.833 0.956 + 1147TIP3 H240729 4.233 3.716 0.871 + 1147TIP3 OH240730 4.196 3.388 0.078 + 1147TIP3 H140731 4.166 3.469 0.126 + 1147TIP3 H240732 4.270 3.423 0.025 + 1147TIP3 OH240733 3.763 3.493 -0.291 + 1147TIP3 H140734 3.769 3.579 -0.244 + 1147TIP3 H240735 3.850 3.453 -0.274 + 1147TIP3 OH240736 3.389 3.784 -0.478 + 1147TIP3 H140737 3.453 3.858 -0.475 + 1147TIP3 H240738 3.308 3.827 -0.507 + 1147TIP3 OH240739 3.516 3.304 0.401 + 1147TIP3 H140740 3.499 3.303 0.304 + 1147TIP3 H240741 3.482 3.218 0.430 + 1147TIP3 OH240742 3.366 4.306 1.206 + 1147TIP3 H140743 3.344 4.211 1.208 + 1147TIP3 H240744 3.285 4.350 1.180 + 1147TIP3 OH240745 3.957 4.332 1.162 + 1147TIP3 H140746 3.955 4.347 1.065 + 1147TIP3 H240747 3.996 4.242 1.167 + 1148TIP3 OH240748 3.423 4.024 1.178 + 1148TIP3 H140749 3.500 3.966 1.171 + 1148TIP3 H240750 3.424 4.045 1.273 + 1148TIP3 OH240751 3.903 4.162 -0.299 + 1148TIP3 H140752 3.827 4.123 -0.254 + 1148TIP3 H240753 3.897 4.110 -0.381 + 1148TIP3 OH240754 3.800 3.937 0.923 + 1148TIP3 H140755 3.739 4.012 0.934 + 1148TIP3 H240756 3.853 3.967 0.848 + 1148TIP3 OH240757 4.280 4.196 1.281 + 1148TIP3 H140758 4.346 4.175 1.215 + 1148TIP3 H240759 4.251 4.108 1.306 + 1148TIP3 OH240760 3.858 3.664 1.032 + 1148TIP3 H140761 3.862 3.599 0.959 + 1148TIP3 H240762 3.839 3.746 0.983 + 1148TIP3 OH240763 3.887 3.510 0.773 + 1148TIP3 H140764 3.936 3.567 0.710 + 1148TIP3 H240765 3.795 3.513 0.738 + 1148TIP3 OH240766 4.060 4.064 0.799 + 1148TIP3 H140767 4.131 4.059 0.733 + 1148TIP3 H240768 4.014 4.144 0.771 + 1148TIP3 OH240769 3.669 3.849 1.211 + 1148TIP3 H140770 3.618 3.766 1.207 + 1148TIP3 H240771 3.750 3.825 1.164 + 1148TIP3 OH240772 3.971 3.248 0.811 + 1148TIP3 H140773 3.947 3.341 0.792 + 1148TIP3 H240774 3.906 3.201 0.755 + 1148TIP3 OH240775 4.104 3.692 1.183 + 1148TIP3 H140776 4.065 3.672 1.269 + 1148TIP3 H240777 4.029 3.671 1.124 + 1149TIP3 OH240778 3.540 3.594 1.192 + 1149TIP3 H140779 3.531 3.525 1.125 + 1149TIP3 H240780 3.516 3.546 1.274 + 1149TIP3 OH240781 3.945 3.194 1.092 + 1149TIP3 H140782 4.005 3.118 1.096 + 1149TIP3 H240783 3.941 3.210 0.996 + 1149TIP3 OH240784 4.035 3.373 1.288 + 1149TIP3 H140785 4.008 3.319 1.211 + 1149TIP3 H240786 3.973 3.448 1.282 + 1149TIP3 OH240787 3.272 4.188 0.511 + 1149TIP3 H140788 3.281 4.202 0.416 + 1149TIP3 H240789 3.362 4.160 0.536 + 1149TIP3 OH240790 3.271 3.716 1.136 + 1149TIP3 H140791 3.364 3.689 1.133 + 1149TIP3 H240792 3.226 3.630 1.139 + 1149TIP3 OH240793 3.348 3.547 0.414 + 1149TIP3 H140794 3.395 3.462 0.419 + 1149TIP3 H240795 3.418 3.607 0.446 + 1149TIP3 OH240796 3.203 3.815 0.519 + 1149TIP3 H140797 3.261 3.811 0.442 + 1149TIP3 H240798 3.236 3.894 0.563 + 1149TIP3 OH240799 3.253 3.448 -0.078 + 1149TIP3 H140800 3.158 3.454 -0.100 + 1149TIP3 H240801 3.294 3.509 -0.142 + 1149TIP3 OH240802 3.257 3.338 0.738 + 1149TIP3 H140803 3.185 3.310 0.796 + 1149TIP3 H240804 3.208 3.389 0.671 + 1149TIP3 OH240805 4.268 3.393 0.367 + 1149TIP3 H140806 4.182 3.348 0.378 + 1149TIP3 H240807 4.293 3.363 0.280 + 1150TIP3 OH240808 3.479 3.300 0.121 + 1150TIP3 H140809 3.394 3.289 0.074 + 1150TIP3 H240810 3.522 3.214 0.103 + 1150TIP3 OH240811 3.365 3.249 -0.293 + 1150TIP3 H140812 3.415 3.314 -0.347 + 1150TIP3 H240813 3.322 3.306 -0.228 + 1150TIP3 OH240814 3.935 3.281 0.107 + 1150TIP3 H140815 4.027 3.313 0.100 + 1150TIP3 H240816 3.927 3.273 0.203 + 1150TIP3 OH240817 3.528 3.428 -0.448 + 1150TIP3 H140818 3.591 3.385 -0.509 + 1150TIP3 H240819 3.589 3.469 -0.384 + 1150TIP3 OH240820 4.067 3.447 -0.194 + 1150TIP3 H140821 4.062 3.388 -0.118 + 1150TIP3 H240822 4.063 3.534 -0.151 + 1150TIP3 OH240823 3.460 3.325 1.072 + 1150TIP3 H140824 3.420 3.242 1.106 + 1150TIP3 H240825 3.553 3.312 1.096 + 1150TIP3 OH240826 3.700 3.264 1.246 + 1150TIP3 H140827 3.782 3.229 1.206 + 1150TIP3 H240828 3.664 3.183 1.286 + 1150TIP3 OH240829 -3.160 -3.366 2.030 + 1150TIP3 H140830 -3.161 -3.270 2.039 + 1150TIP3 H240831 -3.237 -3.380 1.972 + 1150TIP3 OH240832 -3.276 -3.422 2.337 + 1150TIP3 H140833 -3.276 -3.480 2.415 + 1150TIP3 H240834 -3.302 -3.483 2.267 + 1150TIP3 OH240835 -4.029 -3.464 2.501 + 1150TIP3 H140836 -4.032 -3.537 2.565 + 1150TIP3 H240837 -3.959 -3.409 2.539 + 1151TIP3 OH240838 -2.907 -3.149 2.169 + 1151TIP3 H140839 -2.944 -3.220 2.222 + 1151TIP3 H240840 -2.878 -3.087 2.237 + 1151TIP3 OH240841 -3.959 -3.002 2.353 + 1151TIP3 H140842 -3.987 -3.092 2.326 + 1151TIP3 H240843 -3.865 -3.017 2.370 + 1151TIP3 OH240844 -4.169 -3.561 1.837 + 1151TIP3 H140845 -4.218 -3.496 1.890 + 1151TIP3 H240846 -4.220 -3.640 1.860 + 1151TIP3 OH240847 -4.211 -3.413 2.079 + 1151TIP3 H140848 -4.187 -3.489 2.134 + 1151TIP3 H240849 -4.126 -3.386 2.042 + 1151TIP3 OH240850 -3.200 -2.613 2.226 + 1151TIP3 H140851 -3.142 -2.683 2.192 + 1151TIP3 H240852 -3.228 -2.649 2.311 + 1151TIP3 OH240853 -3.426 -3.171 2.394 + 1151TIP3 H140854 -3.394 -3.243 2.336 + 1151TIP3 H240855 -3.344 -3.156 2.445 + 1151TIP3 OH240856 -2.571 -4.016 2.450 + 1151TIP3 H140857 -2.537 -3.973 2.529 + 1151TIP3 H240858 -2.506 -3.988 2.384 + 1151TIP3 OH240859 -3.099 -3.740 2.445 + 1151TIP3 H140860 -3.078 -3.835 2.447 + 1151TIP3 H240861 -3.106 -3.724 2.350 + 1151TIP3 OH240862 -3.802 -3.941 2.155 + 1151TIP3 H140863 -3.784 -3.856 2.110 + 1151TIP3 H240864 -3.832 -3.995 2.080 + 1151TIP3 OH240865 -3.011 -3.920 1.989 + 1151TIP3 H140866 -2.950 -3.965 2.051 + 1151TIP3 H240867 -2.948 -3.878 1.929 + 1152TIP3 OH240868 -4.139 -3.660 2.204 + 1152TIP3 H140869 -4.081 -3.704 2.269 + 1152TIP3 H240870 -4.122 -3.714 2.125 + 1152TIP3 OH240871 -3.593 -3.526 2.149 + 1152TIP3 H140872 -3.522 -3.580 2.187 + 1152TIP3 H240873 -3.643 -3.593 2.099 + 1152TIP3 OH240874 -2.477 -3.848 2.715 + 1152TIP3 H140875 -2.553 -3.797 2.682 + 1152TIP3 H240876 -2.513 -3.889 2.793 + 1152TIP3 OH240877 -3.917 -4.051 2.575 + 1152TIP3 H140878 -3.957 -4.009 2.497 + 1152TIP3 H240879 -3.987 -4.036 2.641 + 1152TIP3 OH240880 -3.171 -3.082 1.909 + 1152TIP3 H140881 -3.200 -3.104 1.820 + 1152TIP3 H240882 -3.216 -2.998 1.926 + 1152TIP3 OH240883 -3.625 -3.270 2.581 + 1152TIP3 H140884 -3.698 -3.209 2.606 + 1152TIP3 H240885 -3.563 -3.210 2.535 + 1152TIP3 OH240886 -2.824 -4.013 2.190 + 1152TIP3 H140887 -2.871 -4.060 2.260 + 1152TIP3 H240888 -2.771 -3.950 2.242 + 1152TIP3 OH240889 -3.959 -3.850 2.362 + 1152TIP3 H140890 -3.893 -3.792 2.406 + 1152TIP3 H240891 -3.903 -3.888 2.290 + 1152TIP3 OH240892 -3.827 -3.083 2.655 + 1152TIP3 H140893 -3.830 -2.992 2.620 + 1152TIP3 H240894 -3.916 -3.089 2.694 + 1152TIP3 OH240895 -4.183 -3.119 1.744 + 1152TIP3 H140896 -4.263 -3.101 1.692 + 1152TIP3 H240897 -4.193 -3.059 1.819 + 1153TIP3 OH240898 -2.851 -2.967 2.420 + 1153TIP3 H140899 -2.948 -2.955 2.420 + 1153TIP3 H240900 -2.823 -2.882 2.381 + 1153TIP3 OH240901 -2.808 -4.110 2.591 + 1153TIP3 H140902 -2.888 -4.078 2.547 + 1153TIP3 H240903 -2.741 -4.097 2.521 + 1153TIP3 OH240904 -3.496 4.382 2.298 + 1153TIP3 H140905 -3.501 4.286 2.303 + 1153TIP3 H240906 -3.586 4.412 2.323 + 1153TIP3 OH240907 -3.020 -2.774 2.078 + 1153TIP3 H140908 -2.972 -2.853 2.045 + 1153TIP3 H240909 -2.953 -2.704 2.063 + 1153TIP3 OH240910 -2.877 -2.987 1.939 + 1153TIP3 H140911 -2.925 -3.033 1.868 + 1153TIP3 H240912 -2.882 -3.052 2.011 + 1153TIP3 OH240913 -2.723 -3.104 2.785 + 1153TIP3 H140914 -2.732 -3.170 2.714 + 1153TIP3 H240915 -2.708 -3.022 2.736 + 1153TIP3 OH240916 -3.296 -3.414 1.756 + 1153TIP3 H140917 -3.362 -3.354 1.717 + 1153TIP3 H240918 -3.224 -3.410 1.691 + 1153TIP3 OH240919 -3.267 -3.596 1.462 + 1153TIP3 H140920 -3.197 -3.565 1.522 + 1153TIP3 H240921 -3.215 -3.653 1.403 + 1153TIP3 OH240922 -2.546 -3.488 2.580 + 1153TIP3 H140923 -2.618 -3.422 2.588 + 1153TIP3 H240924 -2.498 -3.454 2.502 + 1153TIP3 OH240925 -2.944 -3.414 1.864 + 1153TIP3 H140926 -3.012 -3.393 1.931 + 1153TIP3 H240927 -2.884 -3.471 1.916 + 1154TIP3 OH240928 -2.960 -3.562 2.747 + 1154TIP3 H140929 -2.954 -3.480 2.799 + 1154TIP3 H240930 -3.025 -3.532 2.680 + 1154TIP3 OH240931 -3.783 -3.336 2.040 + 1154TIP3 H140932 -3.815 -3.380 1.959 + 1154TIP3 H240933 -3.718 -3.401 2.073 + 1154TIP3 OH240934 -3.648 -2.998 2.316 + 1154TIP3 H140935 -3.659 -3.034 2.227 + 1154TIP3 H240936 -3.568 -3.044 2.346 + 1154TIP3 OH240937 -3.727 -3.455 2.390 + 1154TIP3 H140938 -3.670 -3.454 2.310 + 1154TIP3 H240939 -3.685 -3.389 2.448 + 1154TIP3 OH240940 -3.134 -2.904 2.448 + 1154TIP3 H140941 -3.128 -2.838 2.520 + 1154TIP3 H240942 -3.154 -2.987 2.494 + 1154TIP3 OH240943 -3.642 -3.023 2.874 + 1154TIP3 H140944 -3.696 -2.957 2.920 + 1154TIP3 H240945 -3.704 -3.052 2.804 + 1154TIP3 OH240946 -3.049 -3.470 1.610 + 1154TIP3 H140947 -3.001 -3.443 1.691 + 1154TIP3 H240948 -2.999 -3.420 1.541 + 1154TIP3 OH240949 -3.956 -3.390 2.789 + 1154TIP3 H140950 -3.948 -3.330 2.866 + 1154TIP3 H240951 -4.052 -3.394 2.778 + 1154TIP3 OH240952 -3.303 -2.810 1.966 + 1154TIP3 H140953 -3.256 -2.780 2.044 + 1154TIP3 H240954 -3.352 -2.731 1.938 + 1154TIP3 OH240955 -3.835 -2.807 2.960 + 1154TIP3 H140956 -3.841 -2.801 2.862 + 1154TIP3 H240957 -3.927 -2.827 2.985 + 1155TIP3 OH240958 -2.730 -4.303 1.534 + 1155TIP3 H140959 -2.765 -4.324 1.621 + 1155TIP3 H240960 -2.647 -4.261 1.558 + 1155TIP3 OH240961 -3.891 -3.465 1.792 + 1155TIP3 H140962 -3.917 -3.389 1.738 + 1155TIP3 H240963 -3.971 -3.521 1.785 + 1155TIP3 OH240964 -2.568 -2.883 1.415 + 1155TIP3 H140965 -2.552 -2.788 1.436 + 1155TIP3 H240966 -2.481 -2.922 1.433 + 1155TIP3 OH240967 -4.267 -3.181 2.647 + 1155TIP3 H140968 -4.286 -3.214 2.558 + 1155TIP3 H240969 -4.306 -3.250 2.702 + 1155TIP3 OH240970 -4.281 -2.900 2.343 + 1155TIP3 H140971 -4.197 -2.944 2.362 + 1155TIP3 H240972 -4.299 -2.853 2.425 + 1155TIP3 OH240973 -2.444 -2.842 2.938 + 1155TIP3 H140974 -2.454 -2.937 2.920 + 1155TIP3 H240975 -2.535 -2.819 2.968 + 1155TIP3 OH240976 -3.378 -2.919 2.818 + 1155TIP3 H140977 -3.372 -2.838 2.872 + 1155TIP3 H240978 -3.469 -2.949 2.838 + 1155TIP3 OH240979 -3.352 -2.537 1.814 + 1155TIP3 H140980 -3.348 -2.530 1.717 + 1155TIP3 H240981 -3.342 -2.446 1.844 + 1155TIP3 OH240982 -3.978 -2.624 1.978 + 1155TIP3 H140983 -3.954 -2.666 2.063 + 1155TIP3 H240984 -4.055 -2.678 1.955 + 1155TIP3 OH240985 -3.019 -2.595 1.533 + 1155TIP3 H140986 -2.961 -2.660 1.488 + 1155TIP3 H240987 -3.023 -2.635 1.623 + 1156TIP3 OH240988 -3.080 -2.653 1.814 + 1156TIP3 H140989 -3.176 -2.641 1.827 + 1156TIP3 H240990 -3.063 -2.726 1.876 + 1156TIP3 OH240991 -2.764 -3.708 2.977 + 1156TIP3 H140992 -2.813 -3.669 2.904 + 1156TIP3 H240993 -2.756 -3.801 2.948 + 1156TIP3 OH240994 -4.072 -3.040 2.796 + 1156TIP3 H140995 -4.042 -3.099 2.867 + 1156TIP3 H240996 -4.147 -3.090 2.756 + 1156TIP3 OH240997 -3.753 -4.221 2.383 + 1156TIP3 H140998 -3.839 -4.230 2.341 + 1156TIP3 H240999 -3.764 -4.135 2.427 + 1156TIP3 OH241000 -3.290 -4.261 2.741 + 1156TIP3 H141001 -3.271 -4.310 2.822 + 1156TIP3 H241002 -3.385 -4.278 2.730 + 1156TIP3 OH241003 -2.994 -3.864 2.782 + 1156TIP3 H141004 -3.052 -3.875 2.860 + 1156TIP3 H241005 -2.999 -3.768 2.764 + 1156TIP3 OH241006 -2.893 -3.363 1.410 + 1156TIP3 H141007 -2.914 -3.380 1.316 + 1156TIP3 H241008 -2.799 -3.338 1.403 + 1156TIP3 OH241009 -3.330 -3.993 1.455 + 1156TIP3 H141010 -3.383 -4.004 1.536 + 1156TIP3 H241011 -3.378 -4.054 1.396 + 1156TIP3 OH241012 -3.760 -3.714 2.509 + 1156TIP3 H141013 -3.822 -3.704 2.584 + 1156TIP3 H241014 -3.755 -3.624 2.473 + 1156TIP3 OH241015 -3.769 -3.709 1.998 + 1156TIP3 H141016 -3.865 -3.715 1.980 + 1156TIP3 H241017 -3.733 -3.726 1.909 + 1157TIP3 OH241018 -3.205 -3.651 1.875 + 1157TIP3 H141019 -3.247 -3.569 1.841 + 1157TIP3 H241020 -3.138 -3.668 1.806 + 1157TIP3 OH241021 -3.288 -3.630 3.011 + 1157TIP3 H141022 -3.338 -3.707 3.046 + 1157TIP3 H241023 -3.200 -3.644 3.051 + 1157TIP3 OH241024 -3.121 -3.711 2.153 + 1157TIP3 H141025 -3.150 -3.654 2.079 + 1157TIP3 H241026 -3.099 -3.792 2.102 + 1157TIP3 OH241027 -4.025 -3.697 2.692 + 1157TIP3 H141028 -3.996 -3.664 2.778 + 1157TIP3 H241029 -4.052 -3.789 2.715 + 1157TIP3 OH241030 -3.689 -3.940 1.351 + 1157TIP3 H141031 -3.724 -3.979 1.434 + 1157TIP3 H241032 -3.769 -3.927 1.298 + 1157TIP3 OH241033 -4.325 -3.942 2.057 + 1157TIP3 H141034 -4.305 -3.969 2.149 + 1157TIP3 H241035 -4.288 -4.014 2.005 + 1157TIP3 OH241036 -4.214 -3.882 1.645 + 1157TIP3 H141037 -4.152 -3.861 1.572 + 1157TIP3 H241038 -4.298 -3.863 1.602 + 1157TIP3 OH241039 -3.211 -3.543 2.599 + 1157TIP3 H141040 -3.168 -3.616 2.548 + 1157TIP3 H241041 -3.244 -3.591 2.676 + 1157TIP3 OH241042 -3.490 -3.940 2.098 + 1157TIP3 H141043 -3.583 -3.960 2.117 + 1157TIP3 H241044 -3.446 -3.972 2.178 + 1157TIP3 OH241045 -4.038 -3.824 1.965 + 1157TIP3 H141046 -4.122 -3.819 1.917 + 1157TIP3 H241047 -4.000 -3.907 1.929 + 1158TIP3 OH241048 -3.672 -3.791 1.737 + 1158TIP3 H141049 -3.575 -3.785 1.741 + 1158TIP3 H241050 -3.696 -3.731 1.665 + 1158TIP3 OH241051 -3.056 -4.033 2.402 + 1158TIP3 H141052 -3.120 -4.035 2.476 + 1158TIP3 H241053 -3.113 -4.063 2.329 + 1158TIP3 OH241054 -3.825 -3.669 1.511 + 1158TIP3 H141055 -3.882 -3.699 1.439 + 1158TIP3 H241056 -3.743 -3.648 1.463 + 1158TIP3 OH241057 -2.751 -2.454 3.069 + 1158TIP3 H141058 -2.727 -2.412 2.984 + 1158TIP3 H241059 -2.677 -2.428 3.126 + 1158TIP3 OH241060 -3.950 -3.196 3.013 + 1158TIP3 H141061 -3.890 -3.188 3.089 + 1158TIP3 H241062 -4.036 -3.187 3.058 + 1158TIP3 OH241063 -3.388 -3.693 2.283 + 1158TIP3 H141064 -3.317 -3.737 2.234 + 1158TIP3 H241065 -3.405 -3.757 2.356 + 1158TIP3 OH241066 -3.880 -4.061 1.905 + 1158TIP3 H141067 -3.921 -4.148 1.918 + 1158TIP3 H241068 -3.794 -4.084 1.867 + 1158TIP3 OH241069 -3.493 -3.849 2.508 + 1158TIP3 H141070 -3.568 -3.788 2.507 + 1158TIP3 H241071 -3.443 -3.823 2.588 + 1158TIP3 OH241072 -3.480 -3.207 1.696 + 1158TIP3 H141073 -3.555 -3.260 1.661 + 1158TIP3 H241074 -3.497 -3.205 1.792 + 1158TIP3 OH241075 -2.756 -3.293 2.570 + 1158TIP3 H141076 -2.705 -3.239 2.505 + 1158TIP3 H241077 -2.841 -3.305 2.524 + 1159TIP3 OH241078 -3.062 -3.932 1.460 + 1159TIP3 H141079 -3.160 -3.938 1.461 + 1159TIP3 H241080 -3.043 -3.862 1.525 + 1159TIP3 OH241081 -3.313 -3.208 2.829 + 1159TIP3 H141082 -3.343 -3.241 2.914 + 1159TIP3 H241083 -3.344 -3.116 2.829 + 1159TIP3 OH241084 -2.996 -3.749 1.674 + 1159TIP3 H141085 -2.909 -3.763 1.716 + 1159TIP3 H241086 -2.985 -3.660 1.635 + 1159TIP3 OH241087 -3.973 -3.275 2.270 + 1159TIP3 H141088 -3.909 -3.285 2.197 + 1159TIP3 H241089 -3.961 -3.359 2.318 + 1159TIP3 OH241090 -3.238 -3.073 1.589 + 1159TIP3 H141091 -3.264 -2.987 1.628 + 1159TIP3 H241092 -3.313 -3.129 1.616 + 1159TIP3 OH241093 -4.239 -3.425 2.833 + 1159TIP3 H141094 -4.231 -3.491 2.904 + 1159TIP3 H241095 -4.287 -3.476 2.764 + 1159TIP3 OH241096 -3.540 -3.491 3.004 + 1159TIP3 H141097 -3.576 -3.517 2.917 + 1159TIP3 H241098 -3.448 -3.521 2.994 + 1159TIP3 OH241099 -3.087 -2.948 2.776 + 1159TIP3 H141100 -3.183 -2.941 2.770 + 1159TIP3 H241101 -3.071 -2.924 2.869 + 1159TIP3 OH241102 -2.533 -3.746 1.652 + 1159TIP3 H141103 -2.591 -3.766 1.576 + 1159TIP3 H241104 -2.524 -3.650 1.639 + 1159TIP3 OH241105 -2.489 -3.140 2.933 + 1159TIP3 H141106 -2.583 -3.119 2.914 + 1159TIP3 H241107 -2.456 -3.158 2.843 + 1160TIP3 OH241108 -2.715 -2.884 1.663 + 1160TIP3 H141109 -2.734 -2.963 1.715 + 1160TIP3 H241110 -2.661 -2.918 1.590 + 1160TIP3 OH241111 -2.990 -3.350 2.401 + 1160TIP3 H141112 -3.083 -3.366 2.376 + 1160TIP3 H241113 -2.946 -3.422 2.352 + 1160TIP3 OH241114 -3.727 -2.941 2.007 + 1160TIP3 H141115 -3.685 -2.855 1.992 + 1160TIP3 H241116 -3.819 -2.924 1.980 + 1160TIP3 OH241117 -4.155 -3.447 1.475 + 1160TIP3 H141118 -4.081 -3.395 1.514 + 1160TIP3 H241119 -4.228 -3.387 1.492 + 1160TIP3 OH241120 -3.543 -3.173 1.968 + 1160TIP3 H141121 -3.573 -3.082 1.982 + 1160TIP3 H241122 -3.614 -3.223 2.009 + 1160TIP3 OH241123 -3.526 -2.746 2.603 + 1160TIP3 H141124 -3.470 -2.673 2.572 + 1160TIP3 H241125 -3.463 -2.798 2.655 + 1160TIP3 OH241126 -3.681 -2.652 1.927 + 1160TIP3 H141127 -3.777 -2.638 1.933 + 1160TIP3 H241128 -3.646 -2.564 1.949 + 1160TIP3 OH241129 -3.185 -3.171 2.559 + 1160TIP3 H141130 -3.214 -3.201 2.647 + 1160TIP3 H241131 -3.112 -3.233 2.540 + 1160TIP3 OH241132 -2.969 -3.042 1.451 + 1160TIP3 H141133 -2.926 -3.087 1.526 + 1160TIP3 H241134 -3.062 -3.056 1.476 + 1160TIP3 OH241135 -2.893 -2.713 2.800 + 1160TIP3 H141136 -2.967 -2.760 2.756 + 1160TIP3 H241137 -2.881 -2.635 2.742 + 1161TIP3 OH241138 -2.495 -2.615 1.505 + 1161TIP3 H141139 -2.426 -2.552 1.480 + 1161TIP3 H241140 -2.572 -2.555 1.503 + 1161TIP3 OH241141 -4.107 -3.960 2.770 + 1161TIP3 H141142 -4.196 -3.927 2.754 + 1161TIP3 H241143 -4.125 -4.048 2.811 + 1161TIP3 OH241144 -2.872 -3.179 1.691 + 1161TIP3 H141145 -2.899 -3.253 1.749 + 1161TIP3 H241146 -2.775 -3.183 1.697 + 1161TIP3 OH241147 -4.128 -2.799 2.611 + 1161TIP3 H141148 -4.109 -2.894 2.620 + 1161TIP3 H241149 -4.095 -2.766 2.695 + 1161TIP3 OH241150 -3.545 -2.936 1.308 + 1161TIP3 H141151 -3.515 -3.014 1.258 + 1161TIP3 H241152 -3.587 -2.978 1.385 + 1161TIP3 OH241153 -3.664 -2.986 1.581 + 1161TIP3 H141154 -3.610 -3.039 1.642 + 1161TIP3 H241155 -3.647 -2.894 1.613 + 1161TIP3 OH241156 -3.987 -3.244 1.612 + 1161TIP3 H141157 -4.057 -3.203 1.670 + 1161TIP3 H241158 -3.937 -3.164 1.590 + 1161TIP3 OH241159 -3.217 -4.006 2.632 + 1161TIP3 H141160 -3.151 -3.981 2.698 + 1161TIP3 H241161 -3.251 -4.091 2.665 + 1161TIP3 OH241162 -3.139 -4.056 1.745 + 1161TIP3 H141163 -3.128 -3.998 1.668 + 1161TIP3 H241164 -3.099 -4.002 1.816 + 1161TIP3 OH241165 -3.365 -2.821 1.643 + 1161TIP3 H141166 -3.447 -2.773 1.659 + 1161TIP3 H241167 -3.329 -2.776 1.565 + 1162TIP3 OH241168 -3.403 -3.851 1.844 + 1162TIP3 H141169 -3.329 -3.789 1.858 + 1162TIP3 H241170 -3.432 -3.867 1.937 + 1162TIP3 OH241171 -3.370 -3.761 2.757 + 1162TIP3 H141172 -3.360 -3.710 2.839 + 1162TIP3 H241173 -3.313 -3.837 2.773 + 1162TIP3 OH241174 -3.331 -4.174 1.943 + 1162TIP3 H141175 -3.364 -4.099 1.996 + 1162TIP3 H241176 -3.275 -4.128 1.878 + 1162TIP3 OH241177 -3.645 -2.715 1.642 + 1162TIP3 H141178 -3.652 -2.634 1.588 + 1162TIP3 H241179 -3.657 -2.680 1.732 + 1162TIP3 OH241180 -3.776 -4.050 1.597 + 1162TIP3 H141181 -3.771 -3.967 1.647 + 1162TIP3 H241182 -3.688 -4.087 1.618 + 1162TIP3 OH241183 -2.731 -3.963 2.839 + 1162TIP3 H141184 -2.828 -3.952 2.829 + 1162TIP3 H241185 -2.710 -3.989 2.748 + 1162TIP3 OH241186 -2.890 -3.573 2.250 + 1162TIP3 H141187 -2.971 -3.619 2.221 + 1162TIP3 H241188 -2.841 -3.645 2.295 + 1162TIP3 OH241189 -3.931 -2.957 1.495 + 1162TIP3 H141190 -3.854 -2.915 1.537 + 1162TIP3 H241191 -3.886 -3.014 1.431 + 1162TIP3 OH241192 -4.118 -3.749 1.415 + 1162TIP3 H141193 -4.106 -3.654 1.430 + 1162TIP3 H241194 -4.191 -3.753 1.353 + 1162TIP3 OH241195 -2.789 -2.688 2.389 + 1162TIP3 H141196 -2.805 -2.607 2.336 + 1162TIP3 H241197 -2.695 -2.675 2.412 + 1163TIP3 OH241198 -4.075 -4.237 2.307 + 1163TIP3 H141199 -4.060 -4.257 2.214 + 1163TIP3 H241200 -4.112 -4.321 2.338 + 1163TIP3 OH241201 -4.134 -2.876 1.914 + 1163TIP3 H141202 -4.227 -2.848 1.918 + 1163TIP3 H241203 -4.106 -2.841 1.829 + 1163TIP3 OH241204 -4.214 -2.604 3.032 + 1163TIP3 H141205 -4.152 -2.605 3.107 + 1163TIP3 H241206 -4.218 -2.700 3.017 + 1163TIP3 OH241207 -3.689 -2.689 3.225 + 1163TIP3 H141208 -3.647 -2.777 3.224 + 1163TIP3 H241209 -3.740 -2.694 3.143 + 1163TIP3 OH241210 -3.323 -2.767 1.360 + 1163TIP3 H141211 -3.397 -2.829 1.348 + 1163TIP3 H241212 -3.250 -2.819 1.321 + 1163TIP3 OH241213 -3.090 -2.853 3.075 + 1163TIP3 H141214 -3.126 -2.938 3.106 + 1163TIP3 H241215 -3.013 -2.842 3.133 + 1163TIP3 OH241216 -2.861 -2.775 1.370 + 1163TIP3 H141217 -2.843 -2.856 1.419 + 1163TIP3 H241218 -2.783 -2.769 1.311 + 1163TIP3 OH241219 -4.198 -3.201 3.093 + 1163TIP3 H141220 -4.191 -3.290 3.058 + 1163TIP3 H241221 -4.286 -3.174 3.063 + 1163TIP3 OH241222 -3.781 -3.194 1.342 + 1163TIP3 H141223 -3.761 -3.252 1.418 + 1163TIP3 H241224 -3.695 -3.196 1.295 + 1163TIP3 OH241225 -3.542 -3.215 3.076 + 1163TIP3 H141226 -3.569 -3.183 2.988 + 1163TIP3 H241227 -3.530 -3.311 3.060 + 1164TIP3 OH241228 -3.259 -3.061 1.304 + 1164TIP3 H141229 -3.260 -3.065 1.401 + 1164TIP3 H241230 -3.261 -3.157 1.282 + 1164TIP3 OH241231 -3.001 -3.254 2.814 + 1164TIP3 H141232 -2.922 -3.201 2.793 + 1164TIP3 H241233 -3.071 -3.186 2.810 + 1164TIP3 OH241234 -4.135 -3.530 3.073 + 1164TIP3 H141235 -4.054 -3.584 3.062 + 1164TIP3 H241236 -4.124 -3.500 3.165 + 1164TIP3 OH241237 -3.674 -3.384 1.575 + 1164TIP3 H141238 -3.734 -3.436 1.632 + 1164TIP3 H241239 -3.642 -3.452 1.513 + 1164TIP3 OH241240 -3.750 -3.608 2.802 + 1164TIP3 H141241 -3.805 -3.529 2.818 + 1164TIP3 H241242 -3.685 -3.574 2.739 + 1164TIP3 OH241243 -3.576 -3.583 1.401 + 1164TIP3 H141244 -3.579 -3.574 1.304 + 1164TIP3 H241245 -3.480 -3.588 1.418 + 1164TIP3 OH241246 -3.218 -3.336 3.159 + 1164TIP3 H141247 -3.129 -3.355 3.125 + 1164TIP3 H241248 -3.244 -3.422 3.194 + 1164TIP3 OH241249 -2.625 -3.333 1.331 + 1164TIP3 H141250 -2.638 -3.372 1.243 + 1164TIP3 H241251 -2.634 -3.238 1.309 + 1164TIP3 OH241252 -3.693 -3.881 2.912 + 1164TIP3 H141253 -3.683 -3.945 2.840 + 1164TIP3 H241254 -3.711 -3.798 2.863 + 1164TIP3 OH241255 -3.651 -4.037 2.654 + 1164TIP3 H141256 -3.600 -3.981 2.592 + 1164TIP3 H241257 -3.743 -4.027 2.621 + 1165TIP3 OH241258 -3.501 -3.487 2.701 + 1165TIP3 H141259 -3.418 -3.496 2.652 + 1165TIP3 H241260 -3.533 -3.400 2.669 + 1165TIP3 OH241261 -3.045 -3.693 3.178 + 1165TIP3 H141262 -3.024 -3.786 3.194 + 1165TIP3 H241263 -2.955 -3.655 3.173 + 1165TIP3 OH241264 -2.948 -3.415 3.027 + 1165TIP3 H141265 -2.981 -3.353 2.958 + 1165TIP3 H241266 -2.858 -3.431 2.992 + 1165TIP3 OH241267 -3.879 -3.691 3.091 + 1165TIP3 H141268 -3.928 -3.775 3.093 + 1165TIP3 H241269 -3.797 -3.718 3.048 + 1165TIP3 OH241270 -3.606 -4.277 2.776 + 1165TIP3 H141271 -3.592 -4.187 2.740 + 1165TIP3 H241272 -3.700 -4.288 2.754 + 1165TIP3 OH241273 -3.457 -3.842 3.072 + 1165TIP3 H141274 -3.488 -3.872 3.159 + 1165TIP3 H241275 -3.538 -3.863 3.019 + 1165TIP3 OH241276 -3.197 -3.943 2.971 + 1165TIP3 H141277 -3.287 -3.932 3.007 + 1165TIP3 H241278 -3.160 -4.010 3.032 + 1165TIP3 OH241279 -3.026 -4.136 3.138 + 1165TIP3 H141280 -3.039 -4.224 3.176 + 1165TIP3 H241281 -3.039 -4.077 3.214 + 1165TIP3 OH241282 -4.003 -3.953 3.079 + 1165TIP3 H141283 -4.024 -4.020 3.012 + 1165TIP3 H241284 -4.039 -3.993 3.160 + 1165TIP3 OH241285 -3.494 -4.145 3.181 + 1165TIP3 H141286 -3.515 -4.229 3.135 + 1165TIP3 H241287 -3.581 -4.102 3.186 + 1166TIP3 OH241288 -3.600 -2.458 1.512 + 1166TIP3 H141289 -3.504 -2.450 1.523 + 1166TIP3 H241290 -3.611 -2.416 1.425 + 1166TIP3 OH241291 -4.199 -2.970 1.419 + 1166TIP3 H141292 -4.121 -2.976 1.478 + 1166TIP3 H241293 -4.217 -3.063 1.398 + 1166TIP3 OH241294 -4.275 -2.690 2.133 + 1166TIP3 H141295 -4.276 -2.780 2.170 + 1166TIP3 H241296 -4.242 -2.641 2.210 + 1166TIP3 OH241297 -2.516 -2.570 2.438 + 1166TIP3 H141298 -2.498 -2.576 2.533 + 1166TIP3 H241299 -2.430 -2.543 2.403 + 1166TIP3 OH241300 -2.527 -2.627 2.726 + 1166TIP3 H141301 -2.577 -2.703 2.689 + 1166TIP3 H241302 -2.470 -2.674 2.789 + 1166TIP3 OH241303 -2.727 -3.082 3.153 + 1166TIP3 H141304 -2.814 -3.075 3.197 + 1166TIP3 H241305 -2.681 -3.003 3.186 + 1166TIP3 OH241306 -2.587 -3.194 1.728 + 1166TIP3 H141307 -2.496 -3.162 1.743 + 1166TIP3 H241308 -2.594 -3.259 1.801 + 1166TIP3 OH241309 -2.541 -3.397 1.925 + 1166TIP3 H141310 -2.607 -3.455 1.968 + 1166TIP3 H241311 -2.472 -3.387 1.994 + 1166TIP3 OH241312 -2.568 -3.149 2.423 + 1166TIP3 H141313 -2.506 -3.198 2.367 + 1166TIP3 H241314 -2.553 -3.057 2.393 + 1166TIP3 OH241315 -2.696 -2.856 2.647 + 1166TIP3 H141316 -2.769 -2.818 2.697 + 1166TIP3 H241317 -2.741 -2.893 2.569 + 1167TIP3 OH241318 -2.515 -3.454 1.584 + 1167TIP3 H141319 -2.566 -3.427 1.505 + 1167TIP3 H241320 -2.528 -3.378 1.642 + 1167TIP3 OH241321 -2.688 -3.698 1.410 + 1167TIP3 H141322 -2.660 -3.640 1.337 + 1167TIP3 H241323 -2.714 -3.779 1.363 + 1167TIP3 OH241324 -2.746 -3.584 2.007 + 1167TIP3 H141325 -2.753 -3.679 1.988 + 1167TIP3 H241326 -2.785 -3.577 2.097 + 1167TIP3 OH241327 -4.256 -3.334 2.404 + 1167TIP3 H141328 -4.225 -3.315 2.313 + 1167TIP3 H241329 -4.176 -3.376 2.442 + 1167TIP3 OH241330 -2.686 -3.392 2.922 + 1167TIP3 H141331 -2.613 -3.455 2.938 + 1167TIP3 H241332 -2.640 -3.310 2.902 + 1167TIP3 OH241333 -2.531 -3.584 3.044 + 1167TIP3 H141334 -2.610 -3.637 3.020 + 1167TIP3 H241335 -2.461 -3.651 3.041 + 1167TIP3 OH241336 -2.750 -3.963 1.334 + 1167TIP3 H141337 -2.685 -4.015 1.384 + 1167TIP3 H241338 -2.827 -4.021 1.336 + 1167TIP3 OH241339 -2.763 -3.827 1.827 + 1167TIP3 H141340 -2.746 -3.924 1.832 + 1167TIP3 H241341 -2.681 -3.798 1.784 + 1167TIP3 OH241342 -2.738 -3.773 2.365 + 1167TIP3 H141343 -2.640 -3.768 2.363 + 1167TIP3 H241344 -2.751 -3.776 2.461 + 1167TIP3 OH241345 -2.723 -3.706 2.652 + 1167TIP3 H141346 -2.807 -3.664 2.676 + 1167TIP3 H241347 -2.667 -3.629 2.628 + 1168TIP3 OH241348 -4.282 -3.839 3.029 + 1168TIP3 H141349 -4.200 -3.881 3.003 + 1168TIP3 H241350 -4.346 -3.912 3.030 + 1168TIP3 OH241351 -2.506 -4.277 3.228 + 1168TIP3 H141352 -2.458 -4.357 3.205 + 1168TIP3 H241353 -2.504 -4.218 3.149 + 1168TIP3 OH241354 -2.734 -4.098 1.835 + 1168TIP3 H141355 -2.707 -4.152 1.912 + 1168TIP3 H241356 -2.793 -4.160 1.789 + 1168TIP3 OH241357 -4.193 -3.989 2.318 + 1168TIP3 H141358 -4.160 -4.081 2.328 + 1168TIP3 H241359 -4.114 -3.938 2.342 + 1168TIP3 OH241360 -4.332 -3.727 2.413 + 1168TIP3 H141361 -4.293 -3.778 2.340 + 1168TIP3 H241362 -4.314 -3.636 2.383 + 1168TIP3 OH241363 -2.527 -4.111 3.012 + 1168TIP3 H141364 -2.613 -4.064 3.020 + 1168TIP3 H241365 -2.537 -4.147 2.922 + 1168TIP3 OH241366 -2.514 -4.072 1.490 + 1168TIP3 H141367 -2.491 -4.150 1.437 + 1168TIP3 H241368 -2.434 -4.019 1.487 + 1168TIP3 OH241369 -4.314 -4.108 1.768 + 1168TIP3 H141370 -4.397 -4.078 1.729 + 1168TIP3 H241371 -4.254 -4.037 1.735 + 1168TIP3 OH241372 -2.828 -2.566 2.019 + 1168TIP3 H141373 -2.783 -2.591 1.936 + 1168TIP3 H241374 -2.754 -2.530 2.070 + 1168TIP3 OH241375 -4.283 -4.167 2.602 + 1168TIP3 H141376 -4.348 -4.214 2.659 + 1168TIP3 H241377 -4.326 -4.166 2.516 + 1169TIP3 OH241378 -4.117 -2.862 3.069 + 1169TIP3 H141379 -4.166 -2.924 3.015 + 1169TIP3 H241380 -4.134 -2.897 3.159 + 1169TIP3 OH241381 -3.802 -2.795 2.662 + 1169TIP3 H141382 -3.834 -2.713 2.621 + 1169TIP3 H241383 -3.706 -2.787 2.642 + 1169TIP3 OH241384 -3.354 -2.664 2.973 + 1169TIP3 H141385 -3.326 -2.693 3.061 + 1169TIP3 H241386 -3.272 -2.624 2.939 + 1169TIP3 OH241387 -3.128 -2.526 2.884 + 1169TIP3 H141388 -3.058 -2.587 2.856 + 1169TIP3 H241389 -3.092 -2.493 2.969 + 1169TIP3 OH241390 -2.665 -4.276 2.803 + 1169TIP3 H141391 -2.715 -4.214 2.747 + 1169TIP3 H241392 -2.644 -4.344 2.737 + 1169TIP3 OH241393 -4.069 -2.491 2.683 + 1169TIP3 H141394 -4.138 -2.443 2.634 + 1169TIP3 H241395 -4.103 -2.485 2.773 + 1169TIP3 OH241396 -3.818 -2.524 2.548 + 1169TIP3 H141397 -3.905 -2.506 2.588 + 1169TIP3 H241398 -3.815 -2.459 2.476 + 1169TIP3 OH241399 -3.342 -2.526 2.502 + 1169TIP3 H141400 -3.379 -2.483 2.422 + 1169TIP3 H241401 -3.332 -2.450 2.562 + 1169TIP3 OH241402 -3.108 -2.654 2.595 + 1169TIP3 H141403 -3.192 -2.618 2.559 + 1169TIP3 H241404 -3.050 -2.577 2.589 + 1169TIP3 OH241405 -2.856 -2.481 2.612 + 1169TIP3 H141406 -2.859 -2.386 2.589 + 1169TIP3 H241407 -2.826 -2.518 2.527 + 1170TIP3 OH241408 -4.124 -2.615 2.381 + 1170TIP3 H141409 -4.134 -2.662 2.466 + 1170TIP3 H241410 -4.050 -2.665 2.341 + 1170TIP3 OH241411 -3.911 -2.743 2.233 + 1170TIP3 H141412 -3.926 -2.836 2.258 + 1170TIP3 H241413 -3.819 -2.729 2.264 + 1170TIP3 OH241414 -3.630 -2.701 2.317 + 1170TIP3 H141415 -3.612 -2.793 2.293 + 1170TIP3 H241416 -3.624 -2.706 2.414 + 1170TIP3 OH241417 -3.300 -4.112 2.246 + 1170TIP3 H141418 -3.363 -4.182 2.274 + 1170TIP3 H241419 -3.240 -4.161 2.188 + 1170TIP3 OH241420 -2.772 -4.330 2.292 + 1170TIP3 H141421 -2.711 -4.290 2.227 + 1170TIP3 H241422 -2.859 -4.305 2.258 + 1170TIP3 OH241423 -2.577 -4.225 2.075 + 1170TIP3 H141424 -2.521 -4.248 2.000 + 1170TIP3 H241425 -2.558 -4.130 2.086 + 1170TIP3 OH241426 -4.074 -4.281 1.980 + 1170TIP3 H141427 -4.160 -4.316 1.954 + 1170TIP3 H241428 -4.027 -4.360 2.010 + 1170TIP3 OH241429 -4.206 -4.301 1.585 + 1170TIP3 H141430 -4.169 -4.234 1.525 + 1170TIP3 H241431 -4.259 -4.244 1.645 + 1170TIP3 OH241432 -3.614 -4.219 2.011 + 1170TIP3 H141433 -3.522 -4.234 1.984 + 1170TIP3 H241434 -3.634 -4.297 2.064 + 1170TIP3 OH241435 -3.060 -4.265 2.141 + 1170TIP3 H141436 -3.025 -4.261 2.051 + 1170TIP3 H241437 -3.072 -4.359 2.156 + 1171TIP3 OH241438 -2.953 -4.272 1.747 + 1171TIP3 H141439 -3.026 -4.214 1.716 + 1171TIP3 H241440 -2.988 -4.361 1.732 + 1171TIP3 OH241441 -4.189 -2.691 1.689 + 1171TIP3 H141442 -4.248 -2.712 1.615 + 1171TIP3 H241443 -4.182 -2.595 1.683 + 1171TIP3 OH241444 -4.010 -4.115 1.446 + 1171TIP3 H141445 -3.944 -4.156 1.388 + 1171TIP3 H241446 -3.950 -4.070 1.510 + 1171TIP3 OH241447 -3.493 -4.060 1.676 + 1171TIP3 H141448 -3.483 -4.143 1.727 + 1171TIP3 H241449 -3.470 -3.991 1.741 + 1171TIP3 OH241450 -3.296 -2.514 1.520 + 1171TIP3 H141451 -3.198 -2.511 1.515 + 1171TIP3 H241452 -3.314 -2.579 1.451 + 1171TIP3 OH241453 -2.647 -2.610 1.778 + 1171TIP3 H141454 -2.668 -2.695 1.735 + 1171TIP3 H241455 -2.645 -2.549 1.702 + 1171TIP3 OH241456 -4.116 -4.179 2.932 + 1171TIP3 H141457 -4.169 -4.250 2.974 + 1171TIP3 H241458 -4.034 -4.229 2.919 + 1171TIP3 OH241459 -3.808 -4.278 3.184 + 1171TIP3 H141460 -3.723 -4.305 3.143 + 1171TIP3 H241461 -3.828 -4.356 3.237 + 1171TIP3 OH241462 -4.012 -2.592 1.385 + 1171TIP3 H141463 -4.039 -2.576 1.477 + 1171TIP3 H241464 -3.941 -2.658 1.396 + 1171TIP3 OH241465 -2.697 -2.735 3.018 + 1171TIP3 H141466 -2.770 -2.754 2.956 + 1171TIP3 H241467 -2.712 -2.641 3.036 + 1172TIP3 OH241468 -1.275 -3.367 2.030 + 1172TIP3 H141469 -1.274 -3.271 2.041 + 1172TIP3 H241470 -1.352 -3.379 1.973 + 1172TIP3 OH241471 -1.388 -3.423 2.337 + 1172TIP3 H141472 -1.391 -3.480 2.415 + 1172TIP3 H241473 -1.417 -3.484 2.268 + 1172TIP3 OH241474 -2.141 -3.464 2.503 + 1172TIP3 H141475 -2.144 -3.539 2.566 + 1172TIP3 H241476 -2.071 -3.410 2.542 + 1172TIP3 OH241477 -1.022 -3.150 2.169 + 1172TIP3 H141478 -1.059 -3.219 2.225 + 1172TIP3 H241479 -0.993 -3.086 2.235 + 1172TIP3 OH241480 -2.077 -3.000 2.354 + 1172TIP3 H141481 -2.100 -3.092 2.329 + 1172TIP3 H241482 -1.984 -3.012 2.377 + 1172TIP3 OH241483 -2.377 -3.661 1.893 + 1172TIP3 H141484 -2.418 -3.573 1.901 + 1172TIP3 H241485 -2.449 -3.711 1.852 + 1172TIP3 OH241486 -2.296 -3.413 2.079 + 1172TIP3 H141487 -2.282 -3.497 2.127 + 1172TIP3 H241488 -2.213 -3.405 2.031 + 1172TIP3 OH241489 -1.321 -2.618 2.221 + 1172TIP3 H141490 -1.256 -2.685 2.194 + 1172TIP3 H241491 -1.342 -2.646 2.311 + 1172TIP3 OH241492 -1.541 -3.171 2.393 + 1172TIP3 H141493 -1.508 -3.243 2.336 + 1172TIP3 H241494 -1.460 -3.155 2.445 + 1172TIP3 OH241495 -0.680 -4.006 2.464 + 1172TIP3 H141496 -0.670 -3.922 2.512 + 1172TIP3 H241497 -0.616 -3.990 2.391 + 1173TIP3 OH241498 -1.211 -3.741 2.446 + 1173TIP3 H141499 -1.195 -3.837 2.445 + 1173TIP3 H241500 -1.221 -3.723 2.351 + 1173TIP3 OH241501 -1.916 -3.941 2.155 + 1173TIP3 H141502 -1.900 -3.856 2.109 + 1173TIP3 H241503 -1.949 -3.995 2.080 + 1173TIP3 OH241504 -1.125 -3.921 1.988 + 1173TIP3 H141505 -1.064 -3.965 2.050 + 1173TIP3 H241506 -1.063 -3.877 1.928 + 1173TIP3 OH241507 -2.244 -3.661 2.202 + 1173TIP3 H141508 -2.184 -3.711 2.260 + 1173TIP3 H241509 -2.238 -3.712 2.119 + 1173TIP3 OH241510 -1.706 -3.525 2.148 + 1173TIP3 H141511 -1.636 -3.580 2.187 + 1173TIP3 H241512 -1.757 -3.592 2.099 + 1173TIP3 OH241513 -2.034 -4.056 2.570 + 1173TIP3 H141514 -2.068 -4.001 2.497 + 1173TIP3 H241515 -2.101 -4.037 2.638 + 1173TIP3 OH241516 -1.288 -3.086 1.910 + 1173TIP3 H141517 -1.311 -3.103 1.818 + 1173TIP3 H241518 -1.329 -2.999 1.926 + 1173TIP3 OH241519 -1.740 -3.270 2.580 + 1173TIP3 H141520 -1.814 -3.210 2.606 + 1173TIP3 H241521 -1.678 -3.208 2.537 + 1173TIP3 OH241522 -0.934 -4.014 2.193 + 1173TIP3 H141523 -0.987 -4.060 2.259 + 1173TIP3 H241524 -0.890 -3.947 2.246 + 1173TIP3 OH241525 -2.074 -3.856 2.364 + 1173TIP3 H141526 -2.011 -3.795 2.408 + 1173TIP3 H241527 -2.017 -3.890 2.291 + 1174TIP3 OH241528 -1.942 -3.083 2.652 + 1174TIP3 H141529 -1.945 -2.990 2.623 + 1174TIP3 H241530 -2.028 -3.089 2.697 + 1174TIP3 OH241531 -2.310 -3.112 1.742 + 1174TIP3 H141532 -2.329 -3.063 1.660 + 1174TIP3 H241533 -2.294 -3.041 1.807 + 1174TIP3 OH241534 -0.965 -2.968 2.418 + 1174TIP3 H141535 -1.062 -2.954 2.420 + 1174TIP3 H241536 -0.935 -2.882 2.382 + 1174TIP3 OH241537 -0.925 -4.107 2.591 + 1174TIP3 H141538 -1.007 -4.080 2.545 + 1174TIP3 H241539 -0.859 -4.099 2.519 + 1174TIP3 OH241540 -1.611 4.381 2.296 + 1174TIP3 H141541 -1.618 4.285 2.302 + 1174TIP3 H241542 -1.699 4.413 2.324 + 1174TIP3 OH241543 -1.132 -2.774 2.076 + 1174TIP3 H141544 -1.083 -2.853 2.045 + 1174TIP3 H241545 -1.064 -2.705 2.066 + 1174TIP3 OH241546 -0.993 -2.987 1.939 + 1174TIP3 H141547 -1.037 -3.034 1.867 + 1174TIP3 H241548 -0.997 -3.053 2.011 + 1174TIP3 OH241549 -0.835 -3.108 2.786 + 1174TIP3 H141550 -0.846 -3.169 2.711 + 1174TIP3 H241551 -0.826 -3.022 2.741 + 1174TIP3 OH241552 -1.415 -3.411 1.754 + 1174TIP3 H141553 -1.479 -3.352 1.710 + 1174TIP3 H241554 -1.339 -3.407 1.693 + 1174TIP3 OH241555 -1.382 -3.597 1.462 + 1174TIP3 H141556 -1.313 -3.564 1.523 + 1174TIP3 H241557 -1.327 -3.651 1.402 + 1175TIP3 OH241558 -0.658 -3.487 2.580 + 1175TIP3 H141559 -0.733 -3.424 2.586 + 1175TIP3 H241560 -0.610 -3.450 2.503 + 1175TIP3 OH241561 -1.059 -3.416 1.864 + 1175TIP3 H141562 -1.127 -3.392 1.931 + 1175TIP3 H241563 -0.998 -3.470 1.916 + 1175TIP3 OH241564 -1.065 -3.568 2.744 + 1175TIP3 H141565 -1.064 -3.488 2.799 + 1175TIP3 H241566 -1.129 -3.538 2.677 + 1175TIP3 OH241567 -1.899 -3.337 2.040 + 1175TIP3 H141568 -1.930 -3.381 1.959 + 1175TIP3 H241569 -1.834 -3.401 2.075 + 1175TIP3 OH241570 -1.762 -2.996 2.315 + 1175TIP3 H141571 -1.773 -3.037 2.227 + 1175TIP3 H241572 -1.683 -3.043 2.349 + 1175TIP3 OH241573 -1.839 -3.458 2.390 + 1175TIP3 H141574 -1.782 -3.453 2.311 + 1175TIP3 H241575 -1.801 -3.389 2.448 + 1175TIP3 OH241576 -1.246 -2.905 2.448 + 1175TIP3 H141577 -1.244 -2.837 2.517 + 1175TIP3 H241578 -1.268 -2.987 2.496 + 1175TIP3 OH241579 -1.756 -3.025 2.873 + 1175TIP3 H141580 -1.806 -2.959 2.923 + 1175TIP3 H241581 -1.821 -3.050 2.805 + 1175TIP3 OH241582 -1.164 -3.470 1.610 + 1175TIP3 H141583 -1.116 -3.442 1.691 + 1175TIP3 H241584 -1.114 -3.420 1.541 + 1175TIP3 OH241585 -2.063 -3.384 2.785 + 1175TIP3 H141586 -2.058 -3.327 2.864 + 1175TIP3 H241587 -2.159 -3.398 2.778 + 1176TIP3 OH241588 -1.411 -2.804 1.960 + 1176TIP3 H141589 -1.368 -2.785 2.045 + 1176TIP3 H241590 -1.474 -2.732 1.951 + 1176TIP3 OH241591 -1.946 -2.806 2.955 + 1176TIP3 H141592 -1.958 -2.803 2.859 + 1176TIP3 H241593 -2.034 -2.834 2.988 + 1176TIP3 OH241594 -0.842 -4.324 1.533 + 1176TIP3 H141595 -0.886 -4.322 1.619 + 1176TIP3 H241596 -0.766 -4.267 1.552 + 1176TIP3 OH241597 -2.006 -3.465 1.792 + 1176TIP3 H141598 -2.028 -3.387 1.737 + 1176TIP3 H241599 -2.075 -3.527 1.767 + 1176TIP3 OH241600 -0.682 -2.882 1.417 + 1176TIP3 H141601 -0.666 -2.787 1.434 + 1176TIP3 H241602 -0.595 -2.921 1.435 + 1176TIP3 OH241603 -2.401 -3.196 2.668 + 1176TIP3 H141604 -2.444 -3.197 2.580 + 1176TIP3 H241605 -2.388 -3.291 2.684 + 1176TIP3 OH241606 -2.395 -2.903 2.360 + 1176TIP3 H141607 -2.303 -2.933 2.364 + 1176TIP3 H241608 -2.399 -2.843 2.436 + 1176TIP3 OH241609 -0.556 -2.842 2.941 + 1176TIP3 H141610 -0.568 -2.936 2.918 + 1176TIP3 H241611 -0.648 -2.817 2.966 + 1176TIP3 OH241612 -1.492 -2.919 2.817 + 1176TIP3 H141613 -1.484 -2.837 2.869 + 1176TIP3 H241614 -1.582 -2.949 2.841 + 1176TIP3 OH241615 -1.484 -2.513 1.763 + 1176TIP3 H141616 -1.400 -2.528 1.718 + 1176TIP3 H241617 -1.461 -2.445 1.829 + 1177TIP3 OH241618 -2.080 -2.626 1.975 + 1177TIP3 H141619 -2.065 -2.669 2.061 + 1177TIP3 H241620 -2.165 -2.665 1.948 + 1177TIP3 OH241621 -1.177 -2.610 1.536 + 1177TIP3 H141622 -1.119 -2.666 1.480 + 1177TIP3 H241623 -1.153 -2.641 1.625 + 1177TIP3 OH241624 -1.193 -2.653 1.819 + 1177TIP3 H141625 -1.287 -2.657 1.841 + 1177TIP3 H241626 -1.161 -2.723 1.879 + 1177TIP3 OH241627 -0.873 -3.708 2.974 + 1177TIP3 H141628 -0.935 -3.662 2.914 + 1177TIP3 H241629 -0.887 -3.800 2.949 + 1177TIP3 OH241630 -2.182 -3.040 2.792 + 1177TIP3 H141631 -2.155 -3.087 2.873 + 1177TIP3 H241632 -2.255 -3.096 2.758 + 1177TIP3 OH241633 -1.860 -4.220 2.384 + 1177TIP3 H141634 -1.941 -4.246 2.338 + 1177TIP3 H241635 -1.888 -4.137 2.425 + 1177TIP3 OH241636 -1.403 -4.264 2.741 + 1177TIP3 H141637 -1.389 -4.308 2.825 + 1177TIP3 H241638 -1.498 -4.277 2.728 + 1177TIP3 OH241639 -1.092 -3.859 2.792 + 1177TIP3 H141640 -1.162 -3.876 2.857 + 1177TIP3 H241641 -1.110 -3.767 2.764 + 1177TIP3 OH241642 -1.009 -3.365 1.410 + 1177TIP3 H141643 -1.028 -3.379 1.315 + 1177TIP3 H241644 -0.916 -3.336 1.404 + 1177TIP3 OH241645 -1.448 -3.987 1.449 + 1177TIP3 H141646 -1.497 -4.000 1.532 + 1177TIP3 H241647 -1.496 -4.052 1.393 + 1178TIP3 OH241648 -1.876 -3.716 2.509 + 1178TIP3 H141649 -1.934 -3.703 2.586 + 1178TIP3 H241650 -1.868 -3.625 2.473 + 1178TIP3 OH241651 -1.882 -3.709 1.997 + 1178TIP3 H141652 -1.978 -3.719 1.982 + 1178TIP3 H241653 -1.848 -3.727 1.908 + 1178TIP3 OH241654 -1.321 -3.650 1.873 + 1178TIP3 H141655 -1.363 -3.568 1.841 + 1178TIP3 H241656 -1.253 -3.665 1.805 + 1178TIP3 OH241657 -1.396 -3.636 3.006 + 1178TIP3 H141658 -1.452 -3.705 3.047 + 1178TIP3 H241659 -1.313 -3.646 3.056 + 1178TIP3 OH241660 -1.235 -3.711 2.152 + 1178TIP3 H141661 -1.265 -3.653 2.080 + 1178TIP3 H241662 -1.214 -3.792 2.101 + 1178TIP3 OH241663 -2.140 -3.696 2.692 + 1178TIP3 H141664 -2.112 -3.669 2.780 + 1178TIP3 H241665 -2.180 -3.784 2.710 + 1178TIP3 OH241666 -1.823 -3.932 1.340 + 1178TIP3 H141667 -1.833 -3.970 1.430 + 1178TIP3 H241668 -1.911 -3.945 1.303 + 1178TIP3 OH241669 -2.459 -3.952 2.056 + 1178TIP3 H141670 -2.401 -3.958 2.135 + 1178TIP3 H241671 -2.407 -3.995 1.986 + 1178TIP3 OH241672 -2.299 -3.908 1.630 + 1178TIP3 H141673 -2.245 -3.861 1.564 + 1178TIP3 H241674 -2.371 -3.845 1.645 + 1178TIP3 OH241675 -1.321 -3.544 2.602 + 1178TIP3 H141676 -1.281 -3.618 2.551 + 1178TIP3 H241677 -1.359 -3.591 2.678 + 1179TIP3 OH241678 -1.604 -3.944 2.096 + 1179TIP3 H141679 -1.698 -3.959 2.117 + 1179TIP3 H241680 -1.562 -3.972 2.179 + 1179TIP3 OH241681 -2.146 -3.825 1.966 + 1179TIP3 H141682 -2.230 -3.800 1.922 + 1179TIP3 H241683 -2.122 -3.908 1.921 + 1179TIP3 OH241684 -1.787 -3.789 1.730 + 1179TIP3 H141685 -1.691 -3.785 1.740 + 1179TIP3 H241686 -1.806 -3.721 1.663 + 1179TIP3 OH241687 -1.169 -4.034 2.401 + 1179TIP3 H141688 -1.233 -4.034 2.476 + 1179TIP3 H241689 -1.228 -4.064 2.330 + 1179TIP3 OH241690 -1.943 -3.663 1.494 + 1179TIP3 H141691 -1.997 -3.716 1.434 + 1179TIP3 H241692 -1.857 -3.659 1.449 + 1179TIP3 OH241693 -0.866 -2.457 3.068 + 1179TIP3 H141694 -0.843 -2.412 2.984 + 1179TIP3 H241695 -0.795 -2.425 3.126 + 1179TIP3 OH241696 -2.075 -3.195 3.010 + 1179TIP3 H141697 -2.007 -3.187 3.080 + 1179TIP3 H241698 -2.155 -3.196 3.066 + 1179TIP3 OH241699 -1.503 -3.694 2.283 + 1179TIP3 H141700 -1.432 -3.739 2.235 + 1179TIP3 H241701 -1.520 -3.756 2.356 + 1179TIP3 OH241702 -1.988 -4.066 1.904 + 1179TIP3 H141703 -2.038 -4.149 1.915 + 1179TIP3 H241704 -1.904 -4.097 1.868 + 1179TIP3 OH241705 -1.606 -3.849 2.509 + 1179TIP3 H141706 -1.682 -3.789 2.507 + 1179TIP3 H241707 -1.557 -3.820 2.589 + 1180TIP3 OH241708 -1.602 -3.198 1.691 + 1180TIP3 H141709 -1.674 -3.257 1.659 + 1180TIP3 H241710 -1.615 -3.200 1.788 + 1180TIP3 OH241711 -0.868 -3.295 2.570 + 1180TIP3 H141712 -0.819 -3.238 2.506 + 1180TIP3 H241713 -0.954 -3.304 2.525 + 1180TIP3 OH241714 -1.177 -3.934 1.461 + 1180TIP3 H141715 -1.275 -3.936 1.461 + 1180TIP3 H241716 -1.157 -3.862 1.524 + 1180TIP3 OH241717 -1.429 -3.209 2.828 + 1180TIP3 H141718 -1.457 -3.240 2.915 + 1180TIP3 H241719 -1.458 -3.116 2.829 + 1180TIP3 OH241720 -1.110 -3.749 1.673 + 1180TIP3 H141721 -1.023 -3.762 1.715 + 1180TIP3 H241722 -1.101 -3.660 1.635 + 1180TIP3 OH241723 -2.077 -3.270 2.279 + 1180TIP3 H141724 -2.022 -3.282 2.200 + 1180TIP3 H241725 -2.069 -3.356 2.322 + 1180TIP3 OH241726 -1.355 -3.069 1.591 + 1180TIP3 H141727 -1.382 -2.983 1.630 + 1180TIP3 H241728 -1.431 -3.125 1.616 + 1180TIP3 OH241729 -2.354 -3.443 2.806 + 1180TIP3 H141730 -2.336 -3.488 2.891 + 1180TIP3 H241731 -2.412 -3.506 2.759 + 1180TIP3 OH241732 -1.655 -3.493 3.003 + 1180TIP3 H141733 -1.689 -3.518 2.915 + 1180TIP3 H241734 -1.561 -3.517 2.994 + 1180TIP3 OH241735 -1.202 -2.952 2.776 + 1180TIP3 H141736 -1.298 -2.941 2.770 + 1180TIP3 H241737 -1.185 -2.924 2.868 + 1181TIP3 OH241738 -0.649 -3.745 1.654 + 1181TIP3 H141739 -0.704 -3.764 1.576 + 1181TIP3 H241740 -0.637 -3.649 1.639 + 1181TIP3 OH241741 -0.604 -3.148 2.932 + 1181TIP3 H141742 -0.697 -3.123 2.914 + 1181TIP3 H241743 -0.570 -3.157 2.841 + 1181TIP3 OH241744 -0.838 -2.889 1.658 + 1181TIP3 H141745 -0.842 -2.966 1.717 + 1181TIP3 H241746 -0.775 -2.916 1.590 + 1181TIP3 OH241747 -1.103 -3.350 2.401 + 1181TIP3 H141748 -1.197 -3.364 2.377 + 1181TIP3 H241749 -1.060 -3.422 2.351 + 1181TIP3 OH241750 -1.838 -2.937 2.000 + 1181TIP3 H141751 -1.797 -2.850 1.983 + 1181TIP3 H241752 -1.931 -2.917 1.981 + 1181TIP3 OH241753 -2.242 -3.465 1.469 + 1181TIP3 H141754 -2.185 -3.395 1.505 + 1181TIP3 H241755 -2.330 -3.435 1.498 + 1181TIP3 OH241756 -1.658 -3.171 1.968 + 1181TIP3 H141757 -1.690 -3.080 1.982 + 1181TIP3 H241758 -1.728 -3.222 2.010 + 1181TIP3 OH241759 -1.641 -2.747 2.602 + 1181TIP3 H141760 -1.585 -2.672 2.575 + 1181TIP3 H241761 -1.580 -2.796 2.658 + 1181TIP3 OH241762 -1.792 -2.665 1.899 + 1181TIP3 H141763 -1.887 -2.647 1.900 + 1181TIP3 H241764 -1.756 -2.578 1.922 + 1181TIP3 OH241765 -1.301 -3.173 2.558 + 1181TIP3 H141766 -1.329 -3.199 2.648 + 1181TIP3 H241767 -1.226 -3.233 2.543 + 1182TIP3 OH241768 -1.085 -3.040 1.449 + 1182TIP3 H141769 -1.038 -3.081 1.524 + 1182TIP3 H241770 -1.176 -3.054 1.479 + 1182TIP3 OH241771 -1.005 -2.715 2.797 + 1182TIP3 H141772 -1.081 -2.759 2.755 + 1182TIP3 H241773 -0.995 -2.635 2.743 + 1182TIP3 OH241774 -0.609 -2.614 1.503 + 1182TIP3 H141775 -0.539 -2.549 1.484 + 1182TIP3 H241776 -0.686 -2.553 1.504 + 1182TIP3 OH241777 -2.219 -3.961 2.763 + 1182TIP3 H141778 -2.310 -3.943 2.733 + 1182TIP3 H241779 -2.235 -4.047 2.808 + 1182TIP3 OH241780 -0.989 -3.181 1.691 + 1182TIP3 H141781 -1.011 -3.255 1.750 + 1182TIP3 H241782 -0.891 -3.181 1.695 + 1182TIP3 OH241783 -2.245 -2.803 2.607 + 1182TIP3 H141784 -2.215 -2.893 2.622 + 1182TIP3 H241785 -2.222 -2.762 2.691 + 1182TIP3 OH241786 -1.657 -2.929 1.311 + 1182TIP3 H141787 -1.622 -3.002 1.256 + 1182TIP3 H241788 -1.696 -2.977 1.385 + 1182TIP3 OH241789 -1.773 -2.953 1.596 + 1182TIP3 H141790 -1.727 -3.027 1.637 + 1182TIP3 H241791 -1.745 -2.880 1.651 + 1182TIP3 OH241792 -2.089 -3.240 1.621 + 1182TIP3 H141793 -2.164 -3.203 1.672 + 1182TIP3 H241794 -2.048 -3.158 1.588 + 1182TIP3 OH241795 -1.324 -4.009 2.629 + 1182TIP3 H141796 -1.270 -3.983 2.704 + 1182TIP3 H241797 -1.367 -4.090 2.662 + 1183TIP3 OH241798 -1.250 -4.056 1.745 + 1183TIP3 H141799 -1.241 -3.998 1.668 + 1183TIP3 H241800 -1.214 -4.001 1.816 + 1183TIP3 OH241801 -1.487 -2.819 1.646 + 1183TIP3 H141802 -1.557 -2.757 1.668 + 1183TIP3 H241803 -1.444 -2.778 1.569 + 1183TIP3 OH241804 -1.521 -3.849 1.845 + 1183TIP3 H141805 -1.445 -3.788 1.858 + 1183TIP3 H241806 -1.548 -3.866 1.937 + 1183TIP3 OH241807 -1.480 -3.760 2.756 + 1183TIP3 H141808 -1.476 -3.709 2.839 + 1183TIP3 H241809 -1.427 -3.837 2.778 + 1183TIP3 OH241810 -1.441 -4.173 1.949 + 1183TIP3 H141811 -1.480 -4.096 1.995 + 1183TIP3 H241812 -1.391 -4.130 1.878 + 1183TIP3 OH241813 -1.888 -4.045 1.588 + 1183TIP3 H141814 -1.888 -3.968 1.648 + 1183TIP3 H241815 -1.805 -4.089 1.616 + 1183TIP3 OH241816 -0.821 -3.968 2.815 + 1183TIP3 H141817 -0.915 -3.958 2.837 + 1183TIP3 H241818 -0.833 -3.981 2.720 + 1183TIP3 OH241819 -1.004 -3.575 2.249 + 1183TIP3 H141820 -1.087 -3.618 2.221 + 1183TIP3 H241821 -0.958 -3.648 2.295 + 1183TIP3 OH241822 -2.043 -2.966 1.499 + 1183TIP3 H141823 -1.965 -2.921 1.536 + 1183TIP3 H241824 -2.002 -3.012 1.424 + 1183TIP3 OH241825 -2.222 -3.743 1.394 + 1183TIP3 H141826 -2.218 -3.652 1.429 + 1183TIP3 H241827 -2.314 -3.750 1.364 + 1184TIP3 OH241828 -0.897 -2.688 2.391 + 1184TIP3 H141829 -0.916 -2.608 2.337 + 1184TIP3 H241830 -0.803 -2.674 2.408 + 1184TIP3 OH241831 -2.221 -4.242 2.302 + 1184TIP3 H141832 -2.187 -4.243 2.211 + 1184TIP3 H241833 -2.196 -4.332 2.329 + 1184TIP3 OH241834 -2.252 -2.889 1.914 + 1184TIP3 H141835 -2.330 -2.838 1.938 + 1184TIP3 H241836 -2.215 -2.836 1.842 + 1184TIP3 OH241837 -2.312 -2.598 3.029 + 1184TIP3 H141838 -2.253 -2.626 3.101 + 1184TIP3 H241839 -2.350 -2.683 3.001 + 1184TIP3 OH241840 -1.842 -2.690 3.205 + 1184TIP3 H141841 -1.774 -2.754 3.230 + 1184TIP3 H241842 -1.864 -2.719 3.115 + 1184TIP3 OH241843 -1.449 -2.744 1.374 + 1184TIP3 H141844 -1.509 -2.818 1.347 + 1184TIP3 H241845 -1.364 -2.777 1.339 + 1184TIP3 OH241846 -1.193 -2.867 3.063 + 1184TIP3 H141847 -1.234 -2.946 3.102 + 1184TIP3 H241848 -1.126 -2.843 3.130 + 1184TIP3 OH241849 -0.985 -2.767 1.377 + 1184TIP3 H141850 -0.961 -2.845 1.429 + 1184TIP3 H241851 -0.906 -2.756 1.320 + 1184TIP3 OH241852 -2.316 -3.236 3.140 + 1184TIP3 H141853 -2.307 -3.326 3.106 + 1184TIP3 H241854 -2.392 -3.204 3.088 + 1184TIP3 OH241855 -1.893 -3.184 1.347 + 1184TIP3 H141856 -1.877 -3.250 1.416 + 1184TIP3 H241857 -1.810 -3.192 1.295 + 1185TIP3 OH241858 -1.652 -3.216 3.074 + 1185TIP3 H141859 -1.683 -3.183 2.988 + 1185TIP3 H241860 -1.645 -3.312 3.060 + 1185TIP3 OH241861 -1.379 -3.061 1.306 + 1185TIP3 H141862 -1.373 -3.064 1.403 + 1185TIP3 H241863 -1.375 -3.156 1.284 + 1185TIP3 OH241864 -1.115 -3.253 2.814 + 1185TIP3 H141865 -1.039 -3.197 2.794 + 1185TIP3 H241866 -1.187 -3.187 2.813 + 1185TIP3 OH241867 -2.230 -3.523 3.057 + 1185TIP3 H141868 -2.154 -3.584 3.057 + 1185TIP3 H241869 -2.234 -3.499 3.151 + 1185TIP3 OH241870 -1.783 -3.387 1.576 + 1185TIP3 H141871 -1.848 -3.434 1.630 + 1185TIP3 H241872 -1.758 -3.456 1.512 + 1185TIP3 OH241873 -1.864 -3.609 2.799 + 1185TIP3 H141874 -1.917 -3.531 2.822 + 1185TIP3 H241875 -1.799 -3.572 2.737 + 1185TIP3 OH241876 -1.687 -3.584 1.393 + 1185TIP3 H141877 -1.686 -3.578 1.297 + 1185TIP3 H241878 -1.592 -3.587 1.415 + 1185TIP3 OH241879 -1.336 -3.339 3.155 + 1185TIP3 H141880 -1.245 -3.357 3.130 + 1185TIP3 H241881 -1.359 -3.420 3.204 + 1185TIP3 OH241882 -0.740 -3.332 1.334 + 1185TIP3 H141883 -0.749 -3.372 1.246 + 1185TIP3 H241884 -0.749 -3.237 1.311 + 1185TIP3 OH241885 -1.806 -3.880 2.911 + 1185TIP3 H141886 -1.797 -3.944 2.838 + 1185TIP3 H241887 -1.827 -3.798 2.863 + 1186TIP3 OH241888 -1.766 -4.038 2.654 + 1186TIP3 H141889 -1.715 -3.982 2.592 + 1186TIP3 H241890 -1.858 -4.027 2.620 + 1186TIP3 OH241891 -1.616 -3.488 2.699 + 1186TIP3 H141892 -1.531 -3.493 2.652 + 1186TIP3 H241893 -1.648 -3.400 2.670 + 1186TIP3 OH241894 -1.158 -3.707 3.178 + 1186TIP3 H141895 -1.137 -3.799 3.201 + 1186TIP3 H241896 -1.072 -3.664 3.185 + 1186TIP3 OH241897 -1.058 -3.422 3.022 + 1186TIP3 H141898 -1.097 -3.359 2.957 + 1186TIP3 H241899 -0.968 -3.431 2.986 + 1186TIP3 OH241900 -1.986 -3.695 3.091 + 1186TIP3 H141901 -2.036 -3.779 3.094 + 1186TIP3 H241902 -1.903 -3.724 3.050 + 1186TIP3 OH241903 -1.718 -4.277 2.777 + 1186TIP3 H141904 -1.707 -4.187 2.740 + 1186TIP3 H241905 -1.811 -4.291 2.755 + 1186TIP3 OH241906 -1.571 -3.844 3.069 + 1186TIP3 H141907 -1.598 -3.870 3.159 + 1186TIP3 H241908 -1.654 -3.863 3.020 + 1186TIP3 OH241909 -1.313 -3.950 2.964 + 1186TIP3 H141910 -1.400 -3.930 3.004 + 1186TIP3 H241911 -1.273 -4.006 3.033 + 1186TIP3 OH241912 -1.145 -4.119 3.152 + 1186TIP3 H141913 -1.148 -4.208 3.187 + 1186TIP3 H241914 -1.160 -4.066 3.234 + 1186TIP3 OH241915 -2.104 -3.960 3.083 + 1186TIP3 H141916 -2.131 -4.020 3.011 + 1186TIP3 H241917 -2.149 -3.998 3.160 + 1187TIP3 OH241918 -1.610 -4.151 3.177 + 1187TIP3 H141919 -1.637 -4.233 3.131 + 1187TIP3 H241920 -1.694 -4.102 3.186 + 1187TIP3 OH241921 -2.323 -3.022 1.467 + 1187TIP3 H141922 -2.228 -3.002 1.477 + 1187TIP3 H241923 -2.322 -3.098 1.406 + 1187TIP3 OH241924 -2.425 -2.500 1.939 + 1187TIP3 H141925 -2.495 -2.538 1.883 + 1187TIP3 H241926 -2.414 -2.569 2.007 + 1187TIP3 OH241927 -2.385 -2.698 2.137 + 1187TIP3 H141928 -2.413 -2.786 2.169 + 1187TIP3 H241929 -2.349 -2.663 2.220 + 1187TIP3 OH241930 -0.618 -2.582 2.434 + 1187TIP3 H141931 -0.601 -2.574 2.528 + 1187TIP3 H241932 -0.541 -2.535 2.397 + 1187TIP3 OH241933 -0.643 -2.627 2.728 + 1187TIP3 H141934 -0.689 -2.702 2.687 + 1187TIP3 H241935 -0.583 -2.674 2.788 + 1187TIP3 OH241936 -0.839 -3.090 3.158 + 1187TIP3 H141937 -0.929 -3.079 3.194 + 1187TIP3 H241938 -0.796 -3.007 3.184 + 1187TIP3 OH241939 -0.702 -3.194 1.728 + 1187TIP3 H141940 -0.612 -3.160 1.742 + 1187TIP3 H241941 -0.707 -3.258 1.801 + 1187TIP3 OH241942 -0.655 -3.398 1.925 + 1187TIP3 H141943 -0.720 -3.456 1.969 + 1187TIP3 H241944 -0.586 -3.386 1.993 + 1187TIP3 OH241945 -0.680 -3.150 2.425 + 1187TIP3 H141946 -0.619 -3.195 2.364 + 1187TIP3 H241947 -0.670 -3.057 2.396 + 1188TIP3 OH241948 -0.811 -2.863 2.651 + 1188TIP3 H141949 -0.883 -2.816 2.697 + 1188TIP3 H241950 -0.856 -2.893 2.570 + 1188TIP3 OH241951 -0.631 -3.456 1.584 + 1188TIP3 H141952 -0.680 -3.426 1.505 + 1188TIP3 H241953 -0.641 -3.378 1.642 + 1188TIP3 OH241954 -0.801 -3.700 1.409 + 1188TIP3 H141955 -0.775 -3.637 1.340 + 1188TIP3 H241956 -0.826 -3.779 1.358 + 1188TIP3 OH241957 -0.858 -3.585 2.008 + 1188TIP3 H141958 -0.869 -3.679 1.987 + 1188TIP3 H241959 -0.900 -3.577 2.096 + 1188TIP3 OH241960 -2.376 -3.364 2.377 + 1188TIP3 H141961 -2.352 -3.359 2.283 + 1188TIP3 H241962 -2.290 -3.386 2.417 + 1188TIP3 OH241963 -0.789 -3.404 2.934 + 1188TIP3 H141964 -0.711 -3.460 2.953 + 1188TIP3 H241965 -0.749 -3.321 2.905 + 1188TIP3 OH241966 -0.627 -3.621 3.035 + 1188TIP3 H141967 -0.714 -3.660 3.012 + 1188TIP3 H241968 -0.563 -3.691 3.020 + 1188TIP3 OH241969 -0.860 -3.970 1.326 + 1188TIP3 H141970 -0.801 -4.013 1.390 + 1188TIP3 H241971 -0.942 -4.019 1.336 + 1188TIP3 OH241972 -0.878 -3.827 1.827 + 1188TIP3 H141973 -0.860 -3.924 1.832 + 1188TIP3 H241974 -0.796 -3.796 1.784 + 1188TIP3 OH241975 -0.854 -3.776 2.368 + 1188TIP3 H141976 -0.758 -3.763 2.363 + 1188TIP3 H241977 -0.867 -3.773 2.465 + 1189TIP3 OH241978 -0.811 -3.721 2.653 + 1189TIP3 H141979 -0.897 -3.687 2.684 + 1189TIP3 H241980 -0.762 -3.639 2.633 + 1189TIP3 OH241981 -2.392 -3.836 3.029 + 1189TIP3 H141982 -2.299 -3.857 3.013 + 1189TIP3 H241983 -2.434 -3.923 3.026 + 1189TIP3 OH241984 -0.643 -4.271 3.178 + 1189TIP3 H141985 -0.578 -4.336 3.207 + 1189TIP3 H241986 -0.591 -4.196 3.145 + 1189TIP3 OH241987 -0.849 -4.098 1.835 + 1189TIP3 H141988 -0.824 -4.150 1.912 + 1189TIP3 H241989 -0.911 -4.160 1.790 + 1189TIP3 OH241990 -2.316 -3.990 2.298 + 1189TIP3 H141991 -2.285 -4.083 2.307 + 1189TIP3 H241992 -2.240 -3.941 2.335 + 1189TIP3 OH241993 -2.455 -3.727 2.400 + 1189TIP3 H141994 -2.396 -3.734 2.323 + 1189TIP3 H241995 -2.417 -3.653 2.447 + 1189TIP3 OH241996 -0.620 -4.067 2.996 + 1189TIP3 H141997 -0.702 -4.039 3.042 + 1189TIP3 H241998 -0.654 -4.143 2.945 + 1189TIP3 OH241999 -0.634 -4.060 1.498 + 1189TIP3 H142000 -0.616 -4.143 1.449 + 1189TIP3 H242001 -0.549 -4.013 1.493 + 1189TIP3 OH242002 -2.403 -4.098 1.810 + 1189TIP3 H142003 -2.497 -4.096 1.786 + 1189TIP3 H242004 -2.363 -4.033 1.749 + 1189TIP3 OH242005 -0.941 -2.570 2.022 + 1189TIP3 H142006 -0.897 -2.590 1.937 + 1189TIP3 H242007 -0.870 -2.523 2.068 + 1190TIP3 OH242008 -2.425 -4.127 2.658 + 1190TIP3 H142009 -2.423 -4.221 2.685 + 1190TIP3 H242010 -2.444 -4.134 2.564 + 1190TIP3 OH242011 -2.201 -2.896 3.089 + 1190TIP3 H142012 -2.276 -2.898 3.027 + 1190TIP3 H242013 -2.245 -2.901 3.175 + 1190TIP3 OH242014 -1.917 -2.799 2.656 + 1190TIP3 H142015 -1.947 -2.713 2.622 + 1190TIP3 H242016 -1.821 -2.790 2.640 + 1190TIP3 OH242017 -1.466 -2.668 2.958 + 1190TIP3 H142018 -1.452 -2.684 3.053 + 1190TIP3 H242019 -1.383 -2.622 2.933 + 1190TIP3 OH242020 -1.238 -2.522 2.882 + 1190TIP3 H142021 -1.168 -2.586 2.860 + 1190TIP3 H242022 -1.207 -2.491 2.970 + 1190TIP3 OH242023 -0.761 -4.276 2.803 + 1190TIP3 H142024 -0.818 -4.210 2.758 + 1190TIP3 H242025 -0.775 -4.352 2.743 + 1190TIP3 OH242026 -2.180 -2.503 2.690 + 1190TIP3 H142027 -2.239 -2.439 2.646 + 1190TIP3 H242028 -2.213 -2.498 2.781 + 1190TIP3 OH242029 -1.930 -2.526 2.545 + 1190TIP3 H142030 -2.015 -2.507 2.589 + 1190TIP3 H242031 -1.926 -2.456 2.477 + 1190TIP3 OH242032 -1.456 -2.525 2.501 + 1190TIP3 H142033 -1.493 -2.480 2.424 + 1190TIP3 H242034 -1.446 -2.451 2.564 + 1190TIP3 OH242035 -1.222 -2.655 2.593 + 1190TIP3 H142036 -1.307 -2.617 2.561 + 1190TIP3 H242037 -1.165 -2.576 2.592 + 1191TIP3 OH242038 -0.971 -2.481 2.611 + 1191TIP3 H142039 -0.973 -2.386 2.588 + 1191TIP3 H242040 -0.941 -2.519 2.527 + 1191TIP3 OH242041 -2.223 -2.624 2.385 + 1191TIP3 H142042 -2.224 -2.672 2.470 + 1191TIP3 H242043 -2.146 -2.666 2.341 + 1191TIP3 OH242044 -2.020 -2.747 2.231 + 1191TIP3 H142045 -2.036 -2.840 2.256 + 1191TIP3 H242046 -1.929 -2.732 2.261 + 1191TIP3 OH242047 -1.744 -2.703 2.316 + 1191TIP3 H142048 -1.726 -2.797 2.297 + 1191TIP3 H242049 -1.737 -2.703 2.413 + 1191TIP3 OH242050 -1.413 -4.112 2.249 + 1191TIP3 H142051 -1.477 -4.182 2.276 + 1191TIP3 H242052 -1.358 -4.160 2.186 + 1191TIP3 OH242053 -0.886 -4.326 2.296 + 1191TIP3 H142054 -0.827 -4.290 2.227 + 1191TIP3 H242055 -0.974 -4.307 2.259 + 1191TIP3 OH242056 -0.689 -4.225 2.076 + 1191TIP3 H142057 -0.637 -4.247 1.998 + 1191TIP3 H242058 -0.672 -4.129 2.085 + 1191TIP3 OH242059 -2.183 -4.277 1.993 + 1191TIP3 H142060 -2.267 -4.300 1.951 + 1191TIP3 H242061 -2.143 -4.364 2.006 + 1191TIP3 OH242062 -2.323 -4.291 1.611 + 1191TIP3 H142063 -2.291 -4.257 1.526 + 1191TIP3 H242064 -2.352 -4.209 1.655 + 1191TIP3 OH242065 -1.729 -4.227 2.004 + 1191TIP3 H142066 -1.634 -4.236 1.985 + 1191TIP3 H242067 -1.744 -4.293 2.072 + 1192TIP3 OH242068 -1.165 -4.267 2.144 + 1192TIP3 H142069 -1.142 -4.261 2.050 + 1192TIP3 H242070 -1.190 -4.360 2.155 + 1192TIP3 OH242071 -1.064 -4.272 1.738 + 1192TIP3 H142072 -1.140 -4.213 1.717 + 1192TIP3 H242073 -1.103 -4.360 1.735 + 1192TIP3 OH242074 -2.277 -2.696 1.709 + 1192TIP3 H142075 -2.339 -2.708 1.636 + 1192TIP3 H242076 -2.277 -2.599 1.714 + 1192TIP3 OH242077 -2.125 -4.107 1.436 + 1192TIP3 H142078 -2.065 -4.162 1.383 + 1192TIP3 H242079 -2.066 -4.074 1.506 + 1192TIP3 OH242080 -1.602 -4.058 1.672 + 1192TIP3 H142081 -1.596 -4.144 1.718 + 1192TIP3 H242082 -1.586 -3.993 1.742 + 1192TIP3 OH242083 -0.762 -2.609 1.779 + 1192TIP3 H142084 -0.781 -2.691 1.731 + 1192TIP3 H242085 -0.759 -2.545 1.706 + 1192TIP3 OH242086 -2.216 -4.178 2.925 + 1192TIP3 H142087 -2.261 -4.257 2.957 + 1192TIP3 H242088 -2.128 -4.215 2.913 + 1192TIP3 OH242089 -1.924 -4.279 3.189 + 1192TIP3 H142090 -1.837 -4.307 3.152 + 1192TIP3 H242091 -1.948 -4.356 3.242 + 1192TIP3 OH242092 -2.140 -2.609 1.387 + 1192TIP3 H142093 -2.161 -2.567 1.472 + 1192TIP3 H242094 -2.060 -2.659 1.408 + 1192TIP3 OH242095 -0.810 -2.735 3.017 + 1192TIP3 H142096 -0.883 -2.753 2.954 + 1192TIP3 H242097 -0.825 -2.641 3.036 + 1193TIP3 OH242098 0.610 -3.368 2.030 + 1193TIP3 H142099 0.611 -3.271 2.041 + 1193TIP3 H242100 0.535 -3.379 1.971 + 1193TIP3 OH242101 0.497 -3.422 2.336 + 1193TIP3 H142102 0.495 -3.478 2.415 + 1193TIP3 H242103 0.469 -3.484 2.267 + 1193TIP3 OH242104 -0.253 -3.470 2.504 + 1193TIP3 H142105 -0.256 -3.535 2.576 + 1193TIP3 H242106 -0.184 -3.410 2.535 + 1193TIP3 OH242107 0.865 -3.149 2.169 + 1193TIP3 H142108 0.827 -3.219 2.224 + 1193TIP3 H242109 0.892 -3.085 2.236 + 1193TIP3 OH242110 -0.191 -3.002 2.357 + 1193TIP3 H142111 -0.214 -3.093 2.330 + 1193TIP3 H242112 -0.095 -3.012 2.373 + 1193TIP3 OH242113 -0.493 -3.664 1.895 + 1193TIP3 H142114 -0.529 -3.573 1.901 + 1193TIP3 H242115 -0.564 -3.708 1.848 + 1193TIP3 OH242116 -0.411 -3.415 2.079 + 1193TIP3 H142117 -0.394 -3.498 2.127 + 1193TIP3 H242118 -0.328 -3.402 2.031 + 1193TIP3 OH242119 0.570 -2.613 2.223 + 1193TIP3 H142120 0.630 -2.684 2.194 + 1193TIP3 H242121 0.541 -2.644 2.310 + 1193TIP3 OH242122 0.345 -3.172 2.394 + 1193TIP3 H142123 0.378 -3.243 2.336 + 1193TIP3 H242124 0.426 -3.156 2.445 + 1193TIP3 OH242125 1.214 -4.022 2.456 + 1193TIP3 H142126 1.243 -3.964 2.529 + 1193TIP3 H242127 1.276 -3.992 2.386 + 1194TIP3 OH242128 0.671 -3.741 2.445 + 1194TIP3 H142129 0.695 -3.835 2.445 + 1194TIP3 H242130 0.666 -3.722 2.350 + 1194TIP3 OH242131 -0.032 -3.942 2.156 + 1194TIP3 H142132 -0.014 -3.857 2.110 + 1194TIP3 H242133 -0.062 -3.995 2.079 + 1194TIP3 OH242134 0.761 -3.921 1.990 + 1194TIP3 H142135 0.824 -3.963 2.052 + 1194TIP3 H242136 0.822 -3.877 1.929 + 1194TIP3 OH242137 -0.359 -3.665 2.204 + 1194TIP3 H142138 -0.296 -3.714 2.259 + 1194TIP3 H242139 -0.350 -3.712 2.119 + 1194TIP3 OH242140 0.178 -3.525 2.149 + 1194TIP3 H142141 0.250 -3.580 2.187 + 1194TIP3 H242142 0.129 -3.592 2.098 + 1194TIP3 OH242143 1.286 -3.871 2.698 + 1194TIP3 H142144 1.223 -3.800 2.679 + 1194TIP3 H242145 1.276 -3.882 2.793 + 1194TIP3 OH242146 -0.164 -4.045 2.593 + 1194TIP3 H142147 -0.192 -4.006 2.509 + 1194TIP3 H242148 -0.235 -4.019 2.651 + 1194TIP3 OH242149 0.600 -3.083 1.908 + 1194TIP3 H142150 0.571 -3.102 1.819 + 1194TIP3 H242151 0.557 -2.998 1.926 + 1194TIP3 OH242152 0.145 -3.270 2.580 + 1194TIP3 H142153 0.072 -3.209 2.606 + 1194TIP3 H242154 0.208 -3.210 2.536 + 1194TIP3 OH242155 0.945 -4.014 2.191 + 1194TIP3 H142156 0.899 -4.058 2.264 + 1194TIP3 H242157 1.001 -3.951 2.239 + 1195TIP3 OH242158 -0.187 -3.863 2.368 + 1195TIP3 H142159 -0.125 -3.798 2.408 + 1195TIP3 H242160 -0.132 -3.894 2.292 + 1195TIP3 OH242161 -0.057 -3.085 2.654 + 1195TIP3 H142162 -0.057 -2.994 2.619 + 1195TIP3 H242163 -0.144 -3.085 2.699 + 1195TIP3 OH242164 -0.426 -3.112 1.742 + 1195TIP3 H142165 -0.442 -3.062 1.659 + 1195TIP3 H242166 -0.408 -3.041 1.807 + 1195TIP3 OH242167 0.919 -2.967 2.419 + 1195TIP3 H142168 0.823 -2.954 2.420 + 1195TIP3 H242169 0.948 -2.882 2.381 + 1195TIP3 OH242170 0.965 -4.115 2.586 + 1195TIP3 H142171 0.886 -4.076 2.546 + 1195TIP3 H242172 1.032 -4.096 2.519 + 1195TIP3 OH242173 0.277 4.365 2.312 + 1195TIP3 H142174 0.244 4.279 2.288 + 1195TIP3 H242175 0.195 4.415 2.329 + 1195TIP3 OH242176 0.753 -2.775 2.078 + 1195TIP3 H142177 0.802 -2.853 2.044 + 1195TIP3 H242178 0.818 -2.704 2.063 + 1195TIP3 OH242179 0.896 -2.988 1.937 + 1195TIP3 H142180 0.844 -3.033 1.868 + 1195TIP3 H242181 0.890 -3.052 2.010 + 1195TIP3 OH242182 1.050 -3.106 2.786 + 1195TIP3 H142183 1.040 -3.169 2.713 + 1195TIP3 H242184 1.061 -3.021 2.738 + 1195TIP3 OH242185 0.476 -3.417 1.757 + 1195TIP3 H142186 0.410 -3.354 1.720 + 1195TIP3 H242187 0.547 -3.410 1.691 + 1196TIP3 OH242188 0.504 -3.598 1.463 + 1196TIP3 H142189 0.574 -3.565 1.522 + 1196TIP3 H242190 0.557 -3.652 1.403 + 1196TIP3 OH242191 1.224 -3.490 2.582 + 1196TIP3 H142192 1.154 -3.421 2.588 + 1196TIP3 H242193 1.274 -3.458 2.504 + 1196TIP3 OH242194 0.827 -3.415 1.863 + 1196TIP3 H142195 0.759 -3.393 1.931 + 1196TIP3 H242196 0.888 -3.470 1.916 + 1196TIP3 OH242197 0.810 -3.563 2.747 + 1196TIP3 H142198 0.818 -3.482 2.801 + 1196TIP3 H242199 0.748 -3.530 2.680 + 1196TIP3 OH242200 -0.017 -3.339 2.044 + 1196TIP3 H142201 -0.046 -3.379 1.960 + 1196TIP3 H242202 0.052 -3.401 2.073 + 1196TIP3 OH242203 0.119 -3.000 2.317 + 1196TIP3 H142204 0.112 -3.033 2.226 + 1196TIP3 H242205 0.201 -3.043 2.348 + 1196TIP3 OH242206 0.047 -3.460 2.393 + 1196TIP3 H142207 0.101 -3.453 2.311 + 1196TIP3 H242208 0.085 -3.388 2.448 + 1196TIP3 OH242209 0.641 -2.906 2.448 + 1196TIP3 H142210 0.641 -2.837 2.517 + 1196TIP3 H242211 0.618 -2.987 2.496 + 1196TIP3 OH242212 0.128 -3.027 2.875 + 1196TIP3 H142213 0.078 -2.957 2.922 + 1196TIP3 H242214 0.065 -3.050 2.804 + 1196TIP3 OH242215 0.724 -3.472 1.609 + 1196TIP3 H142216 0.770 -3.443 1.691 + 1196TIP3 H242217 0.772 -3.420 1.541 + 1197TIP3 OH242218 -0.179 -3.391 2.788 + 1197TIP3 H142219 -0.170 -3.327 2.861 + 1197TIP3 H242220 -0.276 -3.395 2.780 + 1197TIP3 OH242221 0.470 -2.810 1.966 + 1197TIP3 H142222 0.514 -2.778 2.046 + 1197TIP3 H242223 0.419 -2.733 1.938 + 1197TIP3 OH242224 -0.059 -2.808 2.955 + 1197TIP3 H142225 -0.069 -2.800 2.858 + 1197TIP3 H242226 -0.148 -2.833 2.984 + 1197TIP3 OH242227 1.040 -4.320 1.531 + 1197TIP3 H142228 1.005 -4.325 1.621 + 1197TIP3 H242229 1.120 -4.269 1.548 + 1197TIP3 OH242230 -0.123 -3.463 1.796 + 1197TIP3 H142231 -0.140 -3.386 1.739 + 1197TIP3 H242232 -0.189 -3.526 1.763 + 1197TIP3 OH242233 1.204 -2.882 1.413 + 1197TIP3 H142234 1.220 -2.788 1.434 + 1197TIP3 H242235 1.291 -2.922 1.434 + 1197TIP3 OH242236 -0.515 -3.195 2.667 + 1197TIP3 H142237 -0.560 -3.191 2.580 + 1197TIP3 H242238 -0.502 -3.291 2.679 + 1197TIP3 OH242239 -0.511 -2.906 2.362 + 1197TIP3 H142240 -0.416 -2.929 2.365 + 1197TIP3 H242241 -0.515 -2.839 2.432 + 1197TIP3 OH242242 1.329 -2.842 2.939 + 1197TIP3 H142243 1.318 -2.937 2.918 + 1197TIP3 H242244 1.238 -2.818 2.966 + 1197TIP3 OH242245 0.394 -2.921 2.818 + 1197TIP3 H142246 0.402 -2.838 2.869 + 1197TIP3 H242247 0.303 -2.949 2.840 + 1198TIP3 OH242248 0.429 -2.539 1.818 + 1198TIP3 H142249 0.420 -2.530 1.722 + 1198TIP3 H242250 0.423 -2.447 1.850 + 1198TIP3 OH242251 -0.189 -2.638 1.969 + 1198TIP3 H142252 -0.185 -2.673 2.060 + 1198TIP3 H242253 -0.281 -2.653 1.945 + 1198TIP3 OH242254 0.748 -2.597 1.533 + 1198TIP3 H142255 0.808 -2.658 1.486 + 1198TIP3 H242256 0.749 -2.635 1.623 + 1198TIP3 OH242257 0.691 -2.653 1.812 + 1198TIP3 H142258 0.596 -2.638 1.828 + 1198TIP3 H242259 0.708 -2.725 1.875 + 1198TIP3 OH242260 1.009 -3.709 2.977 + 1198TIP3 H142261 0.958 -3.668 2.906 + 1198TIP3 H242262 1.015 -3.802 2.947 + 1198TIP3 OH242263 -0.297 -3.037 2.790 + 1198TIP3 H142264 -0.271 -3.084 2.872 + 1198TIP3 H242265 -0.370 -3.091 2.755 + 1198TIP3 OH242266 0.023 -4.217 2.393 + 1198TIP3 H142267 -0.057 -4.244 2.345 + 1198TIP3 H242268 0.001 -4.126 2.418 + 1198TIP3 OH242269 0.480 -4.270 2.735 + 1198TIP3 H142270 0.500 -4.312 2.819 + 1198TIP3 H242271 0.384 -4.281 2.731 + 1198TIP3 OH242272 0.776 -3.865 2.780 + 1198TIP3 H142273 0.721 -3.874 2.860 + 1198TIP3 H242274 0.774 -3.769 2.764 + 1198TIP3 OH242275 0.878 -3.364 1.410 + 1198TIP3 H142276 0.858 -3.379 1.316 + 1198TIP3 H242277 0.971 -3.337 1.404 + 1199TIP3 OH242278 0.443 -3.994 1.456 + 1199TIP3 H142279 0.388 -4.004 1.536 + 1199TIP3 H242280 0.393 -4.054 1.395 + 1199TIP3 OH242281 0.009 -3.715 2.506 + 1199TIP3 H142282 -0.043 -3.698 2.585 + 1199TIP3 H242283 0.022 -3.625 2.470 + 1199TIP3 OH242284 0.004 -3.711 1.999 + 1199TIP3 H142285 -0.091 -3.716 1.981 + 1199TIP3 H242286 0.040 -3.726 1.909 + 1199TIP3 OH242287 0.565 -3.652 1.874 + 1199TIP3 H142288 0.525 -3.569 1.841 + 1199TIP3 H242289 0.633 -3.667 1.806 + 1199TIP3 OH242290 0.485 -3.633 3.006 + 1199TIP3 H142291 0.433 -3.706 3.046 + 1199TIP3 H242292 0.571 -3.642 3.051 + 1199TIP3 OH242293 0.649 -3.712 2.153 + 1199TIP3 H142294 0.621 -3.653 2.080 + 1199TIP3 H242295 0.672 -3.792 2.101 + 1199TIP3 OH242296 -0.274 -3.719 2.708 + 1199TIP3 H142297 -0.225 -3.666 2.772 + 1199TIP3 H242298 -0.276 -3.805 2.751 + 1199TIP3 OH242299 0.083 -3.944 1.350 + 1199TIP3 H142300 0.046 -3.980 1.433 + 1199TIP3 H242301 0.004 -3.925 1.298 + 1199TIP3 OH242302 -0.577 -3.960 2.059 + 1199TIP3 H142303 -0.516 -3.958 2.135 + 1199TIP3 H242304 -0.521 -3.990 1.986 + 1199TIP3 OH242305 -0.413 -3.910 1.629 + 1199TIP3 H142306 -0.360 -3.860 1.564 + 1199TIP3 H242307 -0.485 -3.846 1.645 + 1200TIP3 OH242308 0.557 -3.544 2.597 + 1200TIP3 H142309 0.603 -3.616 2.548 + 1200TIP3 H242310 0.530 -3.588 2.679 + 1200TIP3 OH242311 0.282 -3.945 2.096 + 1200TIP3 H142312 0.188 -3.959 2.115 + 1200TIP3 H242313 0.322 -3.966 2.181 + 1200TIP3 OH242314 -0.266 -3.829 1.971 + 1200TIP3 H142315 -0.344 -3.797 1.921 + 1200TIP3 H242316 -0.237 -3.907 1.921 + 1200TIP3 OH242317 0.100 -3.789 1.738 + 1200TIP3 H142318 0.197 -3.783 1.739 + 1200TIP3 H242319 0.074 -3.734 1.662 + 1200TIP3 OH242320 0.716 -4.036 2.403 + 1200TIP3 H142321 0.651 -4.033 2.477 + 1200TIP3 H242322 0.656 -4.062 2.330 + 1200TIP3 OH242323 -0.051 -3.674 1.513 + 1200TIP3 H142324 -0.111 -3.695 1.439 + 1200TIP3 H242325 0.029 -3.648 1.464 + 1200TIP3 OH242326 1.021 -2.458 3.067 + 1200TIP3 H142327 1.041 -2.411 2.985 + 1200TIP3 H242328 1.089 -2.425 3.127 + 1200TIP3 OH242329 -0.190 -3.197 3.008 + 1200TIP3 H142330 -0.121 -3.187 3.077 + 1200TIP3 H242331 -0.269 -3.191 3.065 + 1200TIP3 OH242332 0.381 -3.697 2.281 + 1200TIP3 H142333 0.457 -3.734 2.235 + 1200TIP3 H242334 0.370 -3.758 2.356 + 1200TIP3 OH242335 -0.104 -4.065 1.908 + 1200TIP3 H142336 -0.149 -4.151 1.917 + 1200TIP3 H242337 -0.022 -4.090 1.863 + 1201TIP3 OH242338 0.277 -3.853 2.511 + 1201TIP3 H142339 0.205 -3.787 2.505 + 1201TIP3 H242340 0.328 -3.823 2.589 + 1201TIP3 OH242341 0.294 -3.210 1.697 + 1201TIP3 H142342 0.218 -3.260 1.661 + 1201TIP3 H242343 0.274 -3.206 1.793 + 1201TIP3 OH242344 1.015 -3.294 2.570 + 1201TIP3 H142345 1.066 -3.239 2.506 + 1201TIP3 H242346 0.930 -3.304 2.523 + 1201TIP3 OH242347 0.710 -3.933 1.460 + 1201TIP3 H142348 0.612 -3.938 1.461 + 1201TIP3 H242349 0.729 -3.862 1.525 + 1201TIP3 OH242350 0.454 -3.211 2.829 + 1201TIP3 H142351 0.428 -3.238 2.918 + 1201TIP3 H242352 0.428 -3.117 2.828 + 1201TIP3 OH242353 0.775 -3.749 1.674 + 1201TIP3 H142354 0.863 -3.762 1.716 + 1201TIP3 H242355 0.784 -3.660 1.635 + 1201TIP3 OH242356 -0.193 -3.274 2.281 + 1201TIP3 H142357 -0.140 -3.279 2.199 + 1201TIP3 H242358 -0.178 -3.362 2.319 + 1201TIP3 OH242359 0.533 -3.073 1.590 + 1201TIP3 H142360 0.507 -2.987 1.628 + 1201TIP3 H242361 0.457 -3.128 1.617 + 1201TIP3 OH242362 -0.463 -3.446 2.804 + 1201TIP3 H142363 -0.451 -3.488 2.892 + 1201TIP3 H242364 -0.534 -3.498 2.763 + 1201TIP3 OH242365 0.229 -3.496 3.002 + 1201TIP3 H142366 0.201 -3.514 2.911 + 1201TIP3 H242367 0.324 -3.519 2.996 + 1202TIP3 OH242368 0.683 -2.954 2.777 + 1202TIP3 H142369 0.587 -2.941 2.770 + 1202TIP3 H242370 0.701 -2.924 2.868 + 1202TIP3 OH242371 1.235 -3.745 1.654 + 1202TIP3 H142372 1.181 -3.765 1.576 + 1202TIP3 H242373 1.248 -3.649 1.639 + 1202TIP3 OH242374 1.283 -3.139 2.933 + 1202TIP3 H142375 1.189 -3.119 2.914 + 1202TIP3 H242376 1.316 -3.160 2.843 + 1202TIP3 OH242377 1.055 -2.884 1.662 + 1202TIP3 H142378 1.036 -2.961 1.716 + 1202TIP3 H242379 1.111 -2.919 1.591 + 1202TIP3 OH242380 0.781 -3.351 2.402 + 1202TIP3 H142381 0.688 -3.365 2.376 + 1202TIP3 H242382 0.826 -3.422 2.351 + 1202TIP3 OH242383 0.044 -2.941 2.005 + 1202TIP3 H142384 0.086 -2.855 1.992 + 1202TIP3 H242385 -0.047 -2.921 1.982 + 1202TIP3 OH242386 -0.354 -3.464 1.468 + 1202TIP3 H142387 -0.297 -3.394 1.505 + 1202TIP3 H242388 -0.443 -3.432 1.495 + 1202TIP3 OH242389 0.228 -3.174 1.967 + 1202TIP3 H142390 0.200 -3.081 1.980 + 1202TIP3 H242391 0.155 -3.221 2.010 + 1202TIP3 OH242392 0.245 -2.748 2.602 + 1202TIP3 H142393 0.298 -2.672 2.572 + 1202TIP3 H242394 0.309 -2.794 2.659 + 1202TIP3 OH242395 0.090 -2.655 1.928 + 1202TIP3 H142396 -0.006 -2.639 1.934 + 1202TIP3 H242397 0.125 -2.566 1.949 + 1203TIP3 OH242398 0.585 -3.173 2.558 + 1203TIP3 H142399 0.558 -3.199 2.648 + 1203TIP3 H242400 0.660 -3.232 2.542 + 1203TIP3 OH242401 0.803 -3.042 1.451 + 1203TIP3 H142402 0.845 -3.086 1.527 + 1203TIP3 H242403 0.710 -3.055 1.475 + 1203TIP3 OH242404 0.880 -2.715 2.797 + 1203TIP3 H142405 0.804 -2.759 2.755 + 1203TIP3 H242406 0.891 -2.635 2.743 + 1203TIP3 OH242407 1.279 -2.612 1.500 + 1203TIP3 H142408 1.349 -2.547 1.483 + 1203TIP3 H242409 1.202 -2.552 1.502 + 1203TIP3 OH242410 0.899 -3.180 1.690 + 1203TIP3 H142411 0.873 -3.253 1.749 + 1203TIP3 H242412 0.996 -3.182 1.697 + 1203TIP3 OH242413 -0.363 -2.797 2.597 + 1203TIP3 H142414 -0.326 -2.885 2.612 + 1203TIP3 H242415 -0.336 -2.751 2.677 + 1203TIP3 OH242416 0.227 -2.936 1.310 + 1203TIP3 H142417 0.255 -3.014 1.259 + 1203TIP3 H242418 0.184 -2.977 1.387 + 1203TIP3 OH242419 0.114 -2.987 1.578 + 1203TIP3 H142420 0.162 -3.038 1.644 + 1203TIP3 H242421 0.124 -2.895 1.611 + 1203TIP3 OH242422 -0.204 -3.241 1.622 + 1203TIP3 H142423 -0.278 -3.202 1.671 + 1203TIP3 H242424 -0.159 -3.161 1.589 + 1203TIP3 OH242425 0.557 -4.009 2.629 + 1203TIP3 H142426 0.619 -3.978 2.697 + 1203TIP3 H242427 0.521 -4.091 2.666 + 1204TIP3 OH242428 0.633 -4.057 1.745 + 1204TIP3 H142429 0.641 -3.999 1.668 + 1204TIP3 H242430 0.672 -4.001 1.815 + 1204TIP3 OH242431 0.408 -2.820 1.645 + 1204TIP3 H142432 0.322 -2.776 1.660 + 1204TIP3 H242433 0.437 -2.782 1.562 + 1204TIP3 OH242434 0.370 -3.854 1.844 + 1204TIP3 H142435 0.442 -3.789 1.856 + 1204TIP3 H242436 0.340 -3.866 1.937 + 1204TIP3 OH242437 0.398 -3.763 2.759 + 1204TIP3 H142438 0.409 -3.709 2.839 + 1204TIP3 H242439 0.460 -3.835 2.775 + 1204TIP3 OH242440 0.444 -4.172 1.949 + 1204TIP3 H142441 0.403 -4.094 1.992 + 1204TIP3 H242442 0.496 -4.129 1.879 + 1204TIP3 OH242443 0.127 -2.720 1.645 + 1204TIP3 H142444 0.115 -2.638 1.592 + 1204TIP3 H242445 0.108 -2.686 1.735 + 1204TIP3 OH242446 -0.006 -4.052 1.597 + 1204TIP3 H142447 -0.002 -3.967 1.645 + 1204TIP3 H242448 0.084 -4.086 1.617 + 1204TIP3 OH242449 1.037 -3.965 2.842 + 1204TIP3 H142450 0.941 -3.954 2.827 + 1204TIP3 H242451 1.066 -3.980 2.750 + 1204TIP3 OH242452 0.882 -3.575 2.250 + 1204TIP3 H142453 0.801 -3.621 2.221 + 1204TIP3 H242454 0.931 -3.647 2.295 + 1204TIP3 OH242455 -0.163 -2.963 1.496 + 1204TIP3 H142456 -0.092 -2.909 1.535 + 1204TIP3 H242457 -0.112 -3.010 1.428 + 1205TIP3 OH242458 -0.350 -3.746 1.409 + 1205TIP3 H142459 -0.335 -3.651 1.430 + 1205TIP3 H242460 -0.433 -3.743 1.361 + 1205TIP3 OH242461 0.984 -2.689 2.388 + 1205TIP3 H142462 0.965 -2.609 2.336 + 1205TIP3 H242463 1.077 -2.673 2.411 + 1205TIP3 OH242464 -0.334 -4.239 2.301 + 1205TIP3 H142465 -0.294 -4.246 2.213 + 1205TIP3 H242466 -0.315 -4.328 2.334 + 1205TIP3 OH242467 -0.372 -2.896 1.912 + 1205TIP3 H142468 -0.444 -2.837 1.940 + 1205TIP3 H242469 -0.323 -2.838 1.851 + 1205TIP3 OH242470 -0.425 -2.599 3.029 + 1205TIP3 H142471 -0.368 -2.627 3.103 + 1205TIP3 H242472 -0.465 -2.683 3.000 + 1205TIP3 OH242473 0.039 -2.695 3.208 + 1205TIP3 H142474 0.112 -2.755 3.228 + 1205TIP3 H242475 0.021 -2.718 3.116 + 1205TIP3 OH242476 0.449 -2.768 1.366 + 1205TIP3 H142477 0.373 -2.828 1.348 + 1205TIP3 H242478 0.519 -2.817 1.321 + 1205TIP3 OH242479 0.692 -2.865 3.064 + 1205TIP3 H142480 0.653 -2.946 3.102 + 1205TIP3 H242481 0.760 -2.842 3.129 + 1205TIP3 OH242482 0.911 -2.774 1.371 + 1205TIP3 H142483 0.927 -2.856 1.420 + 1205TIP3 H242484 0.989 -2.770 1.312 + 1205TIP3 OH242485 -0.431 -3.234 3.142 + 1205TIP3 H142486 -0.418 -3.323 3.105 + 1205TIP3 H242487 -0.507 -3.203 3.089 + 1206TIP3 OH242488 -0.009 -3.193 1.342 + 1206TIP3 H142489 0.009 -3.252 1.417 + 1206TIP3 H242490 0.077 -3.195 1.295 + 1206TIP3 OH242491 0.232 -3.216 3.075 + 1206TIP3 H142492 0.203 -3.181 2.989 + 1206TIP3 H242493 0.239 -3.312 3.058 + 1206TIP3 OH242494 0.515 -3.061 1.304 + 1206TIP3 H142495 0.510 -3.065 1.400 + 1206TIP3 H242496 0.510 -3.156 1.282 + 1206TIP3 OH242497 0.770 -3.253 2.813 + 1206TIP3 H142498 0.849 -3.201 2.793 + 1206TIP3 H242499 0.701 -3.184 2.812 + 1206TIP3 OH242500 -0.341 -3.526 3.057 + 1206TIP3 H142501 -0.263 -3.583 3.063 + 1206TIP3 H242502 -0.349 -3.498 3.150 + 1206TIP3 OH242503 0.101 -3.385 1.577 + 1206TIP3 H142504 0.039 -3.437 1.630 + 1206TIP3 H242505 0.131 -3.453 1.512 + 1206TIP3 OH242506 0.013 -3.611 2.792 + 1206TIP3 H142507 -0.033 -3.530 2.820 + 1206TIP3 H242508 0.086 -3.575 2.739 + 1206TIP3 OH242509 0.194 -3.584 1.401 + 1206TIP3 H142510 0.190 -3.575 1.304 + 1206TIP3 H242511 0.290 -3.587 1.416 + 1206TIP3 OH242512 0.551 -3.339 3.156 + 1206TIP3 H142513 0.642 -3.355 3.126 + 1206TIP3 H242514 0.529 -3.422 3.199 + 1206TIP3 OH242515 1.147 -3.332 1.334 + 1206TIP3 H142516 1.137 -3.374 1.247 + 1206TIP3 H242517 1.136 -3.237 1.311 + 1207TIP3 OH242518 0.068 -3.882 2.910 + 1207TIP3 H142519 0.090 -3.945 2.839 + 1207TIP3 H242520 0.062 -3.798 2.862 + 1207TIP3 OH242521 0.118 -4.036 2.655 + 1207TIP3 H142522 0.172 -3.981 2.594 + 1207TIP3 H242523 0.027 -4.023 2.620 + 1207TIP3 OH242524 0.267 -3.489 2.701 + 1207TIP3 H142525 0.352 -3.496 2.654 + 1207TIP3 H242526 0.237 -3.401 2.670 + 1207TIP3 OH242527 0.725 -3.693 3.176 + 1207TIP3 H142528 0.747 -3.786 3.197 + 1207TIP3 H242529 0.814 -3.653 3.173 + 1207TIP3 OH242530 0.824 -3.416 3.026 + 1207TIP3 H142531 0.789 -3.353 2.959 + 1207TIP3 H242532 0.915 -3.428 2.992 + 1207TIP3 OH242533 -0.104 -3.704 3.096 + 1207TIP3 H142534 -0.164 -3.780 3.086 + 1207TIP3 H242535 -0.025 -3.734 3.049 + 1207TIP3 OH242536 0.167 -4.276 2.774 + 1207TIP3 H142537 0.178 -4.185 2.741 + 1207TIP3 H242538 0.076 -4.292 2.748 + 1207TIP3 OH242539 0.315 -3.844 3.072 + 1207TIP3 H142540 0.287 -3.872 3.161 + 1207TIP3 H242541 0.233 -3.865 3.023 + 1207TIP3 OH242542 0.572 -3.947 2.969 + 1207TIP3 H142543 0.484 -3.931 3.007 + 1207TIP3 H242544 0.611 -4.010 3.033 + 1207TIP3 OH242545 0.745 -4.138 3.137 + 1207TIP3 H142546 0.732 -4.225 3.178 + 1207TIP3 H242547 0.733 -4.077 3.212 + 1208TIP3 OH242548 -0.271 -3.933 3.045 + 1208TIP3 H142549 -0.270 -4.021 3.003 + 1208TIP3 H242550 -0.296 -3.956 3.136 + 1208TIP3 OH242551 0.278 -4.146 3.181 + 1208TIP3 H142552 0.255 -4.229 3.135 + 1208TIP3 H242553 0.192 -4.101 3.189 + 1208TIP3 OH242554 0.170 -2.467 1.529 + 1208TIP3 H142555 0.264 -2.467 1.513 + 1208TIP3 H242556 0.135 -2.424 1.450 + 1208TIP3 OH242557 -0.437 -3.023 1.469 + 1208TIP3 H142558 -0.342 -3.000 1.478 + 1208TIP3 H242559 -0.434 -3.097 1.405 + 1208TIP3 OH242560 -0.526 -2.502 1.937 + 1208TIP3 H142561 -0.601 -2.534 1.885 + 1208TIP3 H242562 -0.521 -2.567 2.010 + 1208TIP3 OH242563 -0.493 -2.696 2.140 + 1208TIP3 H142564 -0.519 -2.781 2.178 + 1208TIP3 H242565 -0.465 -2.648 2.220 + 1208TIP3 OH242566 1.256 -2.573 2.438 + 1208TIP3 H142567 1.272 -2.574 2.533 + 1208TIP3 H242568 1.340 -2.542 2.404 + 1208TIP3 OH242569 1.246 -2.628 2.725 + 1208TIP3 H142570 1.194 -2.702 2.689 + 1208TIP3 H242571 1.301 -2.675 2.789 + 1208TIP3 OH242572 1.045 -3.086 3.156 + 1208TIP3 H142573 0.956 -3.076 3.194 + 1208TIP3 H242574 1.090 -3.005 3.184 + 1208TIP3 OH242575 1.185 -3.195 1.728 + 1208TIP3 H142576 1.276 -3.162 1.743 + 1208TIP3 H242577 1.178 -3.258 1.801 + 1209TIP3 OH242578 1.236 -3.399 1.929 + 1209TIP3 H142579 1.166 -3.455 1.969 + 1209TIP3 H242580 1.302 -3.391 2.000 + 1209TIP3 OH242581 1.203 -3.149 2.424 + 1209TIP3 H142582 1.265 -3.199 2.368 + 1209TIP3 H242583 1.217 -3.058 2.392 + 1209TIP3 OH242584 1.075 -2.858 2.648 + 1209TIP3 H142585 1.002 -2.816 2.697 + 1209TIP3 H242586 1.030 -2.893 2.569 + 1209TIP3 OH242587 1.255 -3.455 1.584 + 1209TIP3 H142588 1.206 -3.426 1.505 + 1209TIP3 H242589 1.244 -3.378 1.642 + 1209TIP3 OH242590 1.083 -3.699 1.409 + 1209TIP3 H142591 1.111 -3.638 1.339 + 1209TIP3 H242592 1.059 -3.779 1.359 + 1209TIP3 OH242593 1.024 -3.583 2.006 + 1209TIP3 H142594 1.018 -3.678 1.988 + 1209TIP3 H242595 0.987 -3.576 2.097 + 1209TIP3 OH242596 -0.490 -3.370 2.376 + 1209TIP3 H142597 -0.467 -3.358 2.282 + 1209TIP3 H242598 -0.401 -3.385 2.414 + 1209TIP3 OH242599 1.086 -3.394 2.926 + 1209TIP3 H142600 1.162 -3.454 2.936 + 1209TIP3 H242601 1.128 -3.311 2.900 + 1209TIP3 OH242602 1.242 -3.589 3.048 + 1209TIP3 H142603 1.163 -3.638 3.020 + 1209TIP3 H242604 1.312 -3.656 3.037 + 1209TIP3 OH242605 1.025 -3.968 1.326 + 1209TIP3 H142606 1.086 -4.012 1.388 + 1209TIP3 H242607 0.944 -4.020 1.336 + 1210TIP3 OH242608 1.008 -3.827 1.827 + 1210TIP3 H142609 1.025 -3.924 1.832 + 1210TIP3 H242610 1.089 -3.797 1.784 + 1210TIP3 OH242611 1.035 -3.777 2.366 + 1210TIP3 H142612 1.132 -3.765 2.360 + 1210TIP3 H242613 1.024 -3.774 2.463 + 1210TIP3 OH242614 1.049 -3.705 2.652 + 1210TIP3 H142615 0.965 -3.662 2.677 + 1210TIP3 H242616 1.105 -3.629 2.629 + 1210TIP3 OH242617 1.268 -4.277 3.230 + 1210TIP3 H142618 1.310 -4.359 3.206 + 1210TIP3 H242619 1.266 -4.220 3.150 + 1210TIP3 OH242620 1.037 -4.098 1.835 + 1210TIP3 H142621 1.066 -4.149 1.912 + 1210TIP3 H242622 0.977 -4.162 1.792 + 1210TIP3 OH242623 -0.434 -3.990 2.306 + 1210TIP3 H142624 -0.402 -4.083 2.308 + 1210TIP3 H242625 -0.353 -3.942 2.331 + 1210TIP3 OH242626 -0.561 -3.733 2.418 + 1210TIP3 H142627 -0.511 -3.740 2.335 + 1210TIP3 H242628 -0.532 -3.646 2.448 + 1210TIP3 OH242629 1.242 -4.113 3.015 + 1210TIP3 H142630 1.158 -4.064 3.021 + 1210TIP3 H242631 1.237 -4.142 2.922 + 1210TIP3 OH242632 1.250 -4.057 1.492 + 1210TIP3 H142633 1.270 -4.143 1.450 + 1210TIP3 H242634 1.337 -4.015 1.498 + 1210TIP3 OH242635 -0.515 -4.101 1.807 + 1210TIP3 H142636 -0.610 -4.093 1.786 + 1210TIP3 H242637 -0.475 -4.033 1.748 + 1211TIP3 OH242638 0.943 -2.568 2.018 + 1211TIP3 H142639 0.991 -2.592 1.936 + 1211TIP3 H242640 1.014 -2.530 2.072 + 1211TIP3 OH242641 -0.532 -4.121 2.667 + 1211TIP3 H142642 -0.522 -4.216 2.689 + 1211TIP3 H242643 -0.552 -4.128 2.572 + 1211TIP3 OH242644 -0.317 -2.907 3.091 + 1211TIP3 H142645 -0.389 -2.897 3.026 + 1211TIP3 H242646 -0.362 -2.895 3.175 + 1211TIP3 OH242647 -0.030 -2.799 2.659 + 1211TIP3 H142648 -0.062 -2.714 2.624 + 1211TIP3 H242649 0.065 -2.789 2.640 + 1211TIP3 OH242650 0.420 -2.670 2.958 + 1211TIP3 H142651 0.435 -2.684 3.053 + 1211TIP3 H242652 0.502 -2.622 2.932 + 1211TIP3 OH242653 0.648 -2.523 2.882 + 1211TIP3 H142654 0.717 -2.587 2.861 + 1211TIP3 H242655 0.678 -2.491 2.970 + 1211TIP3 OH242656 1.111 -4.276 2.794 + 1211TIP3 H142657 1.056 -4.217 2.739 + 1211TIP3 H242658 1.124 -4.351 2.733 + 1211TIP3 OH242659 -0.295 -2.506 2.694 + 1211TIP3 H142660 -0.349 -2.441 2.645 + 1211TIP3 H242661 -0.333 -2.494 2.782 + 1211TIP3 OH242662 -0.039 -2.526 2.550 + 1211TIP3 H142663 -0.125 -2.505 2.592 + 1211TIP3 H242664 -0.039 -2.465 2.474 + 1211TIP3 OH242665 0.430 -2.525 2.500 + 1211TIP3 H142666 0.387 -2.481 2.424 + 1211TIP3 H242667 0.438 -2.451 2.563 + 1212TIP3 OH242668 0.662 -2.654 2.594 + 1212TIP3 H142669 0.578 -2.618 2.560 + 1212TIP3 H242670 0.719 -2.576 2.591 + 1212TIP3 OH242671 0.918 -2.481 2.613 + 1212TIP3 H142672 0.911 -2.386 2.591 + 1212TIP3 H242673 0.945 -2.517 2.526 + 1212TIP3 OH242674 -0.336 -2.591 2.373 + 1212TIP3 H142675 -0.330 -2.638 2.457 + 1212TIP3 H242676 -0.258 -2.624 2.325 + 1212TIP3 OH242677 -0.138 -2.746 2.229 + 1212TIP3 H142678 -0.154 -2.838 2.258 + 1212TIP3 H242679 -0.047 -2.730 2.259 + 1212TIP3 OH242680 0.141 -2.699 2.317 + 1212TIP3 H142681 0.161 -2.792 2.294 + 1212TIP3 H242682 0.146 -2.702 2.413 + 1212TIP3 OH242683 0.475 -4.113 2.252 + 1212TIP3 H142684 0.410 -4.182 2.274 + 1212TIP3 H242685 0.527 -4.155 2.182 + 1212TIP3 OH242686 0.981 -4.330 2.292 + 1212TIP3 H142687 1.055 -4.297 2.238 + 1212TIP3 H242688 0.905 -4.295 2.244 + 1212TIP3 OH242689 1.190 -4.223 2.072 + 1212TIP3 H142690 1.253 -4.247 2.003 + 1212TIP3 H242691 1.216 -4.130 2.089 + 1212TIP3 OH242692 -0.294 -4.282 1.981 + 1212TIP3 H142693 -0.385 -4.302 1.957 + 1212TIP3 H242694 -0.261 -4.367 2.012 + 1212TIP3 OH242695 -0.435 -4.291 1.604 + 1212TIP3 H142696 -0.389 -4.244 1.531 + 1212TIP3 H242697 -0.472 -4.216 1.653 + 1213TIP3 OH242698 0.158 -4.222 2.016 + 1213TIP3 H142699 0.246 -4.237 1.979 + 1213TIP3 H242700 0.138 -4.303 2.064 + 1213TIP3 OH242701 0.720 -4.270 2.144 + 1213TIP3 H142702 0.747 -4.251 2.054 + 1213TIP3 H242703 0.700 -4.365 2.142 + 1213TIP3 OH242704 0.817 -4.273 1.745 + 1213TIP3 H142705 0.746 -4.213 1.717 + 1213TIP3 H242706 0.781 -4.360 1.728 + 1213TIP3 OH242707 -0.393 -2.697 1.707 + 1213TIP3 H142708 -0.456 -2.703 1.633 + 1213TIP3 H242709 -0.390 -2.601 1.719 + 1213TIP3 OH242710 -0.244 -4.129 1.448 + 1213TIP3 H142711 -0.174 -4.160 1.388 + 1213TIP3 H242712 -0.191 -4.074 1.510 + 1213TIP3 OH242713 0.278 -4.061 1.676 + 1213TIP3 H142714 0.287 -4.143 1.728 + 1213TIP3 H242715 0.301 -3.991 1.740 + 1213TIP3 OH242716 0.486 -2.500 1.504 + 1213TIP3 H142717 0.581 -2.526 1.515 + 1213TIP3 H242718 0.457 -2.578 1.452 + 1213TIP3 OH242719 1.128 -2.610 1.776 + 1213TIP3 H142720 1.104 -2.694 1.732 + 1213TIP3 H242721 1.123 -2.548 1.702 + 1213TIP3 OH242722 -0.338 -4.177 2.918 + 1213TIP3 H142723 -0.374 -4.256 2.961 + 1213TIP3 H242724 -0.250 -4.211 2.896 + 1213TIP3 OH242725 -0.038 -4.280 3.187 + 1213TIP3 H142726 0.050 -4.306 3.151 + 1213TIP3 H242727 -0.058 -4.356 3.243 + 1214TIP3 OH242728 -0.252 -2.609 1.387 + 1214TIP3 H142729 -0.274 -2.568 1.473 + 1214TIP3 H242730 -0.169 -2.656 1.406 + 1214TIP3 OH242731 1.077 -2.734 3.016 + 1214TIP3 H142732 1.003 -2.753 2.955 + 1214TIP3 H242733 1.059 -2.640 3.036 + 1214TIP3 OH242734 2.497 -3.366 2.031 + 1214TIP3 H142735 2.496 -3.269 2.039 + 1214TIP3 H242736 2.420 -3.381 1.974 + 1214TIP3 OH242737 2.387 -3.425 2.339 + 1214TIP3 H142738 2.376 -3.490 2.409 + 1214TIP3 H242739 2.355 -3.476 2.263 + 1214TIP3 OH242740 1.620 -3.457 2.511 + 1214TIP3 H142741 1.629 -3.545 2.554 + 1214TIP3 H242742 1.704 -3.416 2.538 + 1214TIP3 OH242743 2.751 -3.148 2.169 + 1214TIP3 H142744 2.712 -3.218 2.222 + 1214TIP3 H242745 2.778 -3.085 2.238 + 1214TIP3 OH242746 1.695 -3.002 2.355 + 1214TIP3 H142747 1.673 -3.094 2.330 + 1214TIP3 H242748 1.789 -3.013 2.376 + 1214TIP3 OH242749 1.387 -3.664 1.892 + 1214TIP3 H142750 1.352 -3.574 1.901 + 1214TIP3 H242751 1.315 -3.707 1.844 + 1214TIP3 OH242752 1.483 -3.432 2.096 + 1214TIP3 H142753 1.502 -3.516 2.141 + 1214TIP3 H242754 1.561 -3.423 2.039 + 1214TIP3 OH242755 2.456 -2.612 2.225 + 1214TIP3 H142756 2.515 -2.684 2.194 + 1214TIP3 H242757 2.428 -2.646 2.311 + 1215TIP3 OH242758 2.232 -3.171 2.397 + 1215TIP3 H142759 2.263 -3.240 2.336 + 1215TIP3 H242760 2.315 -3.156 2.446 + 1215TIP3 OH242761 3.086 -4.017 2.449 + 1215TIP3 H142762 3.121 -3.972 2.527 + 1215TIP3 H242763 3.151 -3.989 2.382 + 1215TIP3 OH242764 2.559 -3.741 2.445 + 1215TIP3 H142765 2.577 -3.836 2.443 + 1215TIP3 H242766 2.549 -3.722 2.351 + 1215TIP3 OH242767 2.646 -3.922 1.988 + 1215TIP3 H142768 2.708 -3.965 2.051 + 1215TIP3 H242769 2.707 -3.877 1.928 + 1215TIP3 OH242770 1.561 -3.691 2.228 + 1215TIP3 H142771 1.637 -3.731 2.274 + 1215TIP3 H242772 1.569 -3.734 2.141 + 1215TIP3 OH242773 2.059 -3.523 2.151 + 1215TIP3 H142774 2.128 -3.579 2.191 + 1215TIP3 H242775 2.008 -3.590 2.099 + 1215TIP3 OH242776 3.179 -3.842 2.724 + 1215TIP3 H142777 3.105 -3.796 2.682 + 1215TIP3 H242778 3.133 -3.899 2.787 + 1215TIP3 OH242779 2.489 -3.080 1.908 + 1215TIP3 H142780 2.455 -3.105 1.821 + 1215TIP3 H242781 2.441 -2.997 1.926 + 1215TIP3 OH242782 2.032 -3.272 2.583 + 1215TIP3 H142783 1.957 -3.214 2.604 + 1215TIP3 H242784 2.091 -3.212 2.533 + 1215TIP3 OH242785 2.835 -4.015 2.190 + 1215TIP3 H142786 2.785 -4.061 2.258 + 1215TIP3 H242787 2.885 -3.950 2.244 + 1216TIP3 OH242788 1.831 -3.082 2.655 + 1216TIP3 H142789 1.827 -2.990 2.622 + 1216TIP3 H242790 1.743 -3.089 2.697 + 1216TIP3 OH242791 1.460 -3.112 1.742 + 1216TIP3 H142792 1.443 -3.062 1.660 + 1216TIP3 H242793 1.478 -3.041 1.807 + 1216TIP3 OH242794 2.806 -2.968 2.417 + 1216TIP3 H142795 2.710 -2.955 2.420 + 1216TIP3 H242796 2.835 -2.881 2.383 + 1216TIP3 OH242797 2.849 -4.107 2.593 + 1216TIP3 H142798 2.768 -4.078 2.548 + 1216TIP3 H242799 2.914 -4.097 2.522 + 1216TIP3 OH242800 2.137 -4.306 2.317 + 1216TIP3 H142801 2.133 -4.400 2.298 + 1216TIP3 H242802 2.044 -4.277 2.318 + 1216TIP3 OH242803 2.638 -2.775 2.078 + 1216TIP3 H142804 2.686 -2.853 2.044 + 1216TIP3 H242805 2.703 -2.704 2.063 + 1216TIP3 OH242806 2.783 -2.988 1.936 + 1216TIP3 H142807 2.728 -3.033 1.870 + 1216TIP3 H242808 2.777 -3.051 2.010 + 1216TIP3 OH242809 2.925 -3.109 2.785 + 1216TIP3 H142810 2.921 -3.167 2.707 + 1216TIP3 H242811 2.940 -3.022 2.744 + 1216TIP3 OH242812 2.362 -3.415 1.757 + 1216TIP3 H142813 2.295 -3.355 1.719 + 1216TIP3 H242814 2.432 -3.410 1.690 + 1216TIP3 OH242815 2.390 -3.595 1.461 + 1216TIP3 H142816 2.460 -3.565 1.522 + 1216TIP3 H242817 2.441 -3.653 1.403 + 1217TIP3 OH242818 3.109 -3.489 2.579 + 1217TIP3 H142819 3.038 -3.421 2.582 + 1217TIP3 H242820 3.160 -3.457 2.502 + 1217TIP3 OH242821 2.713 -3.414 1.863 + 1217TIP3 H142822 2.644 -3.392 1.930 + 1217TIP3 H242823 2.772 -3.471 1.916 + 1217TIP3 OH242824 2.704 -3.530 2.811 + 1217TIP3 H142825 2.691 -3.432 2.821 + 1217TIP3 H242826 2.642 -3.541 2.736 + 1217TIP3 OH242827 1.872 -3.339 2.041 + 1217TIP3 H142828 1.840 -3.383 1.960 + 1217TIP3 H242829 1.937 -3.404 2.074 + 1217TIP3 OH242830 2.010 -2.996 2.315 + 1217TIP3 H142831 1.997 -3.037 2.228 + 1217TIP3 H242832 2.089 -3.043 2.348 + 1217TIP3 OH242833 1.933 -3.487 2.411 + 1217TIP3 H142834 1.975 -3.481 2.324 + 1217TIP3 H242835 1.963 -3.408 2.457 + 1217TIP3 OH242836 2.523 -2.904 2.449 + 1217TIP3 H142837 2.530 -2.835 2.518 + 1217TIP3 H242838 2.504 -2.985 2.498 + 1217TIP3 OH242839 2.014 -3.027 2.876 + 1217TIP3 H142840 1.963 -2.957 2.921 + 1217TIP3 H242841 1.953 -3.053 2.805 + 1217TIP3 OH242842 2.609 -3.472 1.609 + 1217TIP3 H142843 2.656 -3.443 1.691 + 1217TIP3 H242844 2.658 -3.420 1.541 + 1217TIP3 OH242845 1.717 -3.389 2.792 + 1217TIP3 H142846 1.712 -3.329 2.868 + 1217TIP3 H242847 1.623 -3.400 2.768 + 1218TIP3 OH242848 2.355 -2.810 1.966 + 1218TIP3 H142849 2.400 -2.779 2.046 + 1218TIP3 H242850 2.305 -2.732 1.938 + 1218TIP3 OH242851 1.827 -2.808 2.955 + 1218TIP3 H142852 1.815 -2.802 2.858 + 1218TIP3 H242853 1.738 -2.833 2.986 + 1218TIP3 OH242854 2.930 -4.325 1.532 + 1218TIP3 H142855 2.882 -4.323 1.617 + 1218TIP3 H242856 3.005 -4.268 1.553 + 1218TIP3 OH242857 1.766 -3.462 1.797 + 1218TIP3 H142858 1.742 -3.389 1.736 + 1218TIP3 H242859 1.705 -3.532 1.771 + 1218TIP3 OH242860 3.090 -2.882 1.412 + 1218TIP3 H142861 3.105 -2.789 1.436 + 1218TIP3 H242862 3.177 -2.923 1.432 + 1218TIP3 OH242863 1.370 -3.195 2.667 + 1218TIP3 H142864 1.328 -3.196 2.579 + 1218TIP3 H242865 1.385 -3.290 2.684 + 1218TIP3 OH242866 1.376 -2.903 2.359 + 1218TIP3 H142867 1.468 -2.933 2.365 + 1218TIP3 H242868 1.371 -2.843 2.435 + 1218TIP3 OH242869 3.200 -2.858 2.936 + 1218TIP3 H142870 3.184 -2.954 2.927 + 1218TIP3 H242871 3.112 -2.826 2.964 + 1218TIP3 OH242872 2.279 -2.921 2.817 + 1218TIP3 H142873 2.288 -2.838 2.868 + 1218TIP3 H242874 2.188 -2.948 2.840 + 1218TIP3 OH242875 2.309 -2.538 1.815 + 1218TIP3 H142876 2.307 -2.530 1.718 + 1218TIP3 H242877 2.313 -2.446 1.844 + 1219TIP3 OH242878 1.689 -2.624 1.977 + 1219TIP3 H142879 1.703 -2.670 2.062 + 1219TIP3 H242880 1.606 -2.664 1.947 + 1219TIP3 OH242881 2.640 -2.595 1.533 + 1219TIP3 H142882 2.695 -2.662 1.488 + 1219TIP3 H242883 2.632 -2.634 1.623 + 1219TIP3 OH242884 2.577 -2.653 1.814 + 1219TIP3 H142885 2.482 -2.640 1.826 + 1219TIP3 H242886 2.592 -2.726 1.876 + 1219TIP3 OH242887 1.589 -3.041 2.792 + 1219TIP3 H142888 1.617 -3.089 2.872 + 1219TIP3 H242889 1.516 -3.095 2.758 + 1219TIP3 OH242890 2.369 -4.261 2.743 + 1219TIP3 H142891 2.383 -4.312 2.823 + 1219TIP3 H242892 2.275 -4.277 2.726 + 1219TIP3 OH242893 2.662 -3.864 2.784 + 1219TIP3 H142894 2.603 -3.879 2.860 + 1219TIP3 H242895 2.655 -3.768 2.770 + 1219TIP3 OH242896 2.764 -3.362 1.410 + 1219TIP3 H142897 2.743 -3.379 1.316 + 1219TIP3 H242898 2.857 -3.337 1.403 + 1219TIP3 OH242899 2.329 -3.994 1.454 + 1219TIP3 H142900 2.275 -4.004 1.536 + 1219TIP3 H242901 2.279 -4.054 1.395 + 1219TIP3 OH242902 1.897 -3.697 1.995 + 1219TIP3 H142903 1.808 -3.735 2.008 + 1219TIP3 H242904 1.923 -3.741 1.913 + 1219TIP3 OH242905 2.450 -3.651 1.875 + 1219TIP3 H142906 2.409 -3.569 1.842 + 1219TIP3 H242907 2.516 -3.669 1.806 + 1220TIP3 OH242908 2.369 -3.627 3.033 + 1220TIP3 H142909 2.311 -3.706 3.042 + 1220TIP3 H242910 2.457 -3.665 3.042 + 1220TIP3 OH242911 2.541 -3.711 2.152 + 1220TIP3 H142912 2.507 -3.653 2.080 + 1220TIP3 H242913 2.558 -3.792 2.100 + 1220TIP3 OH242914 1.618 -3.691 2.687 + 1220TIP3 H142915 1.668 -3.676 2.768 + 1220TIP3 H242916 1.611 -3.788 2.688 + 1220TIP3 OH242917 1.966 -3.945 1.354 + 1220TIP3 H142918 1.931 -3.981 1.437 + 1220TIP3 H242919 1.887 -3.928 1.301 + 1220TIP3 OH242920 1.312 -3.971 2.067 + 1220TIP3 H142921 1.376 -3.952 2.138 + 1220TIP3 H242922 1.369 -3.987 1.991 + 1220TIP3 OH242923 1.469 -3.912 1.626 + 1220TIP3 H142924 1.526 -3.862 1.565 + 1220TIP3 H242925 1.400 -3.845 1.646 + 1220TIP3 OH242926 2.486 -3.550 2.629 + 1220TIP3 H142927 2.505 -3.615 2.557 + 1220TIP3 H242928 2.407 -3.587 2.671 + 1220TIP3 OH242929 2.130 -3.949 2.105 + 1220TIP3 H142930 2.036 -3.940 2.128 + 1220TIP3 H242931 2.169 -3.964 2.192 + 1220TIP3 OH242932 1.616 -3.826 1.975 + 1220TIP3 H142933 1.541 -3.799 1.919 + 1220TIP3 H242934 1.654 -3.904 1.930 + 1220TIP3 OH242935 1.987 -3.798 1.730 + 1220TIP3 H142936 2.082 -3.782 1.742 + 1220TIP3 H242937 1.959 -3.730 1.667 + 1221TIP3 OH242938 2.599 -4.034 2.401 + 1221TIP3 H142939 2.533 -4.035 2.473 + 1221TIP3 H242940 2.544 -4.064 2.327 + 1221TIP3 OH242941 1.830 -3.668 1.512 + 1221TIP3 H142942 1.774 -3.696 1.438 + 1221TIP3 H242943 1.913 -3.649 1.465 + 1221TIP3 OH242944 1.696 -3.195 3.011 + 1221TIP3 H142945 1.763 -3.183 3.082 + 1221TIP3 H242946 1.615 -3.196 3.065 + 1221TIP3 OH242947 2.272 -3.693 2.288 + 1221TIP3 H142948 2.337 -3.748 2.241 + 1221TIP3 H242949 2.239 -3.754 2.357 + 1221TIP3 OH242950 1.787 -4.053 1.900 + 1221TIP3 H142951 1.750 -4.135 1.936 + 1221TIP3 H242952 1.875 -4.080 1.872 + 1221TIP3 OH242953 2.146 -3.829 2.516 + 1221TIP3 H142954 2.058 -3.790 2.505 + 1221TIP3 H242955 2.176 -3.798 2.604 + 1221TIP3 OH242956 2.178 -3.209 1.696 + 1221TIP3 H142957 2.102 -3.260 1.661 + 1221TIP3 H242958 2.159 -3.206 1.793 + 1221TIP3 OH242959 2.900 -3.298 2.570 + 1221TIP3 H142960 2.950 -3.242 2.507 + 1221TIP3 H242961 2.815 -3.307 2.522 + 1221TIP3 OH242962 2.596 -3.930 1.457 + 1221TIP3 H142963 2.498 -3.939 1.460 + 1221TIP3 H242964 2.614 -3.863 1.526 + 1221TIP3 OH242965 2.355 -3.207 2.834 + 1221TIP3 H142966 2.308 -3.239 2.912 + 1221TIP3 H242967 2.318 -3.117 2.824 + 1222TIP3 OH242968 2.661 -3.749 1.673 + 1222TIP3 H142969 2.748 -3.762 1.716 + 1222TIP3 H242970 2.670 -3.660 1.635 + 1222TIP3 OH242971 1.709 -3.275 2.283 + 1222TIP3 H142972 1.757 -3.290 2.200 + 1222TIP3 H242973 1.702 -3.365 2.319 + 1222TIP3 OH242974 2.419 -3.073 1.589 + 1222TIP3 H142975 2.393 -2.987 1.628 + 1222TIP3 H242976 2.343 -3.129 1.616 + 1222TIP3 OH242977 1.409 -3.439 2.810 + 1222TIP3 H142978 1.436 -3.490 2.889 + 1222TIP3 H242979 1.363 -3.505 2.756 + 1222TIP3 OH242980 2.112 -3.495 3.006 + 1222TIP3 H142981 2.068 -3.520 2.922 + 1222TIP3 H242982 2.204 -3.519 2.985 + 1222TIP3 OH242983 2.572 -2.961 2.777 + 1222TIP3 H142984 2.476 -2.947 2.770 + 1222TIP3 H242985 2.591 -2.926 2.865 + 1222TIP3 OH242986 3.123 -3.746 1.653 + 1222TIP3 H142987 3.066 -3.765 1.575 + 1222TIP3 H242988 3.134 -3.650 1.639 + 1222TIP3 OH242989 3.158 -3.157 2.936 + 1222TIP3 H142990 3.063 -3.141 2.914 + 1222TIP3 H242991 3.194 -3.168 2.846 + 1222TIP3 OH242992 2.943 -2.883 1.663 + 1222TIP3 H142993 2.919 -2.960 1.717 + 1222TIP3 H242994 2.996 -2.921 1.592 + 1222TIP3 OH242995 2.668 -3.351 2.401 + 1222TIP3 H142996 2.574 -3.365 2.376 + 1222TIP3 H242997 2.710 -3.423 2.349 + 1223TIP3 OH242998 1.931 -2.942 2.004 + 1223TIP3 H142999 1.973 -2.855 1.991 + 1223TIP3 H243000 1.839 -2.923 1.980 + 1223TIP3 OH243001 1.530 -3.463 1.465 + 1223TIP3 H143002 1.588 -3.396 1.505 + 1223TIP3 H243003 1.442 -3.434 1.498 + 1223TIP3 OH243004 2.115 -3.172 1.968 + 1223TIP3 H143005 2.081 -3.082 1.981 + 1223TIP3 H243006 2.045 -3.225 2.010 + 1223TIP3 OH243007 2.130 -2.747 2.602 + 1223TIP3 H143008 2.186 -2.672 2.573 + 1223TIP3 H243009 2.193 -2.796 2.658 + 1223TIP3 OH243010 1.975 -2.652 1.928 + 1223TIP3 H143011 1.879 -2.637 1.934 + 1223TIP3 H243012 2.010 -2.563 1.949 + 1223TIP3 OH243013 2.476 -3.176 2.563 + 1223TIP3 H143014 2.448 -3.199 2.654 + 1223TIP3 H243015 2.549 -3.238 2.547 + 1223TIP3 OH243016 2.689 -3.040 1.451 + 1223TIP3 H143017 2.730 -3.087 1.526 + 1223TIP3 H243018 2.596 -3.055 1.474 + 1223TIP3 OH243019 2.769 -2.716 2.800 + 1223TIP3 H143020 2.693 -2.754 2.752 + 1223TIP3 H243021 2.784 -2.633 2.749 + 1223TIP3 OH243022 3.163 -2.615 1.504 + 1223TIP3 H143023 3.231 -2.550 1.481 + 1223TIP3 H243024 3.085 -2.557 1.506 + 1223TIP3 OH243025 1.563 -3.963 2.763 + 1223TIP3 H143026 1.481 -3.949 2.713 + 1223TIP3 H243027 1.549 -4.055 2.790 + 1224TIP3 OH243028 2.785 -3.180 1.689 + 1224TIP3 H143029 2.757 -3.252 1.748 + 1224TIP3 H243030 2.882 -3.182 1.699 + 1224TIP3 OH243031 1.527 -2.803 2.606 + 1224TIP3 H143032 1.556 -2.894 2.622 + 1224TIP3 H243033 1.549 -2.762 2.691 + 1224TIP3 OH243034 2.113 -2.936 1.309 + 1224TIP3 H143035 2.140 -3.015 1.258 + 1224TIP3 H243036 2.069 -2.977 1.386 + 1224TIP3 OH243037 1.997 -2.985 1.579 + 1224TIP3 H143038 2.048 -3.038 1.643 + 1224TIP3 H243039 2.011 -2.894 1.612 + 1224TIP3 OH243040 1.680 -3.241 1.619 + 1224TIP3 H143041 1.608 -3.203 1.672 + 1224TIP3 H243042 1.727 -3.161 1.591 + 1224TIP3 OH243043 2.436 -4.003 2.632 + 1224TIP3 H143044 2.507 -3.983 2.695 + 1224TIP3 H243045 2.403 -4.089 2.662 + 1224TIP3 OH243046 2.526 -4.059 1.744 + 1224TIP3 H143047 2.524 -3.998 1.669 + 1224TIP3 H243048 2.555 -4.001 1.816 + 1224TIP3 OH243049 2.292 -2.821 1.643 + 1224TIP3 H143050 2.209 -2.773 1.659 + 1224TIP3 H243051 2.326 -2.776 1.564 + 1224TIP3 OH243052 2.256 -3.857 1.855 + 1224TIP3 H143053 2.326 -3.789 1.868 + 1224TIP3 H243054 2.214 -3.863 1.943 + 1224TIP3 OH243055 2.273 -3.765 2.762 + 1224TIP3 H143056 2.297 -3.705 2.833 + 1224TIP3 H243057 2.341 -3.833 2.761 + 1225TIP3 OH243058 2.332 -4.168 1.956 + 1225TIP3 H143059 2.290 -4.089 1.993 + 1225TIP3 H243060 2.377 -4.130 1.878 + 1225TIP3 OH243061 2.013 -2.715 1.643 + 1225TIP3 H143062 2.005 -2.635 1.587 + 1225TIP3 H243063 1.998 -2.680 1.732 + 1225TIP3 OH243064 1.874 -4.049 1.602 + 1225TIP3 H143065 1.878 -3.966 1.653 + 1225TIP3 H243066 1.959 -4.089 1.627 + 1225TIP3 OH243067 2.932 -3.964 2.840 + 1225TIP3 H143068 2.838 -3.940 2.838 + 1225TIP3 H243069 2.941 -3.993 2.748 + 1225TIP3 OH243070 2.767 -3.574 2.249 + 1225TIP3 H143071 2.686 -3.618 2.220 + 1225TIP3 H243072 2.816 -3.647 2.294 + 1225TIP3 OH243073 1.723 -2.961 1.496 + 1225TIP3 H143074 1.797 -2.911 1.535 + 1225TIP3 H243075 1.772 -3.010 1.428 + 1225TIP3 OH243076 1.538 -3.745 1.406 + 1225TIP3 H143077 1.552 -3.651 1.429 + 1225TIP3 H243078 1.451 -3.743 1.365 + 1225TIP3 OH243079 2.870 -2.690 2.389 + 1225TIP3 H143080 2.850 -2.606 2.343 + 1225TIP3 H243081 2.962 -2.674 2.415 + 1225TIP3 OH243082 1.600 -4.238 2.323 + 1225TIP3 H143083 1.642 -4.218 2.238 + 1225TIP3 H243084 1.582 -4.332 2.315 + 1225TIP3 OH243085 1.519 -2.889 1.914 + 1225TIP3 H143086 1.441 -2.837 1.937 + 1225TIP3 H243087 1.557 -2.837 1.842 + 1226TIP3 OH243088 1.462 -2.599 3.027 + 1226TIP3 H143089 1.517 -2.626 3.102 + 1226TIP3 H243090 1.421 -2.684 3.000 + 1226TIP3 OH243091 1.925 -2.697 3.209 + 1226TIP3 H143092 2.000 -2.756 3.225 + 1226TIP3 H243093 1.905 -2.717 3.116 + 1226TIP3 OH243094 2.335 -2.767 1.360 + 1226TIP3 H143095 2.258 -2.827 1.349 + 1226TIP3 H243096 2.405 -2.822 1.321 + 1226TIP3 OH243097 2.573 -2.862 3.065 + 1226TIP3 H143098 2.539 -2.945 3.103 + 1226TIP3 H243099 2.645 -2.839 3.126 + 1226TIP3 OH243100 2.798 -2.774 1.370 + 1226TIP3 H143101 2.810 -2.857 1.420 + 1226TIP3 H243102 2.876 -2.773 1.312 + 1226TIP3 OH243103 1.455 -3.236 3.141 + 1226TIP3 H143104 1.465 -3.326 3.104 + 1226TIP3 H243105 1.379 -3.204 3.089 + 1226TIP3 OH243106 1.877 -3.193 1.342 + 1226TIP3 H143107 1.893 -3.252 1.417 + 1226TIP3 H243108 1.963 -3.197 1.296 + 1226TIP3 OH243109 2.122 -3.219 3.072 + 1226TIP3 H143110 2.087 -3.180 2.990 + 1226TIP3 H243111 2.120 -3.315 3.054 + 1226TIP3 OH243112 2.402 -3.060 1.304 + 1226TIP3 H143113 2.396 -3.065 1.401 + 1226TIP3 H243114 2.396 -3.155 1.281 + 1226TIP3 OH243115 2.664 -3.263 2.846 + 1226TIP3 H143116 2.731 -3.200 2.815 + 1226TIP3 H243117 2.583 -3.210 2.836 + 1227TIP3 OH243118 1.541 -3.520 3.057 + 1227TIP3 H143119 1.612 -3.586 3.057 + 1227TIP3 H243120 1.535 -3.500 3.152 + 1227TIP3 OH243121 1.986 -3.385 1.577 + 1227TIP3 H143122 1.925 -3.436 1.632 + 1227TIP3 H243123 2.015 -3.453 1.512 + 1227TIP3 OH243124 1.918 -3.605 2.800 + 1227TIP3 H143125 1.853 -3.533 2.809 + 1227TIP3 H243126 1.962 -3.579 2.717 + 1227TIP3 OH243127 2.080 -3.583 1.401 + 1227TIP3 H143128 2.076 -3.575 1.304 + 1227TIP3 H243129 2.176 -3.588 1.416 + 1227TIP3 OH243130 2.437 -3.331 3.164 + 1227TIP3 H143131 2.523 -3.334 3.122 + 1227TIP3 H243132 2.412 -3.424 3.172 + 1227TIP3 OH243133 3.033 -3.332 1.333 + 1227TIP3 H143134 3.021 -3.374 1.247 + 1227TIP3 H243135 3.021 -3.237 1.309 + 1227TIP3 OH243136 1.969 -3.875 2.913 + 1227TIP3 H143137 1.965 -3.943 2.844 + 1227TIP3 H243138 1.949 -3.795 2.861 + 1227TIP3 OH243139 1.990 -4.041 2.648 + 1227TIP3 H143140 2.051 -3.988 2.594 + 1227TIP3 H243141 1.908 -4.023 2.597 + 1227TIP3 OH243142 2.177 -3.479 2.705 + 1227TIP3 H143143 2.238 -3.489 2.632 + 1227TIP3 H243144 2.125 -3.401 2.675 + 1227TIP3 OH243145 2.657 -3.678 3.171 + 1227TIP3 H143146 2.628 -3.771 3.169 + 1227TIP3 H243147 2.745 -3.690 3.213 + 1228TIP3 OH243148 1.797 -3.700 3.103 + 1228TIP3 H143149 1.736 -3.775 3.092 + 1228TIP3 H243150 1.869 -3.726 3.044 + 1228TIP3 OH243151 2.062 -4.282 2.779 + 1228TIP3 H143152 2.060 -4.190 2.743 + 1228TIP3 H243153 1.973 -4.311 2.753 + 1228TIP3 OH243154 2.200 -3.843 3.075 + 1228TIP3 H143155 2.159 -3.873 3.158 + 1228TIP3 H243156 2.125 -3.860 3.014 + 1228TIP3 OH243157 2.466 -3.934 2.980 + 1228TIP3 H143158 2.371 -3.934 3.003 + 1228TIP3 H243159 2.498 -4.010 3.032 + 1228TIP3 OH243160 2.631 -4.121 3.157 + 1228TIP3 H143161 2.616 -4.214 3.180 + 1228TIP3 H243162 2.605 -4.075 3.238 + 1228TIP3 OH243163 1.663 -3.957 3.076 + 1228TIP3 H143164 1.638 -4.017 3.003 + 1228TIP3 H243165 1.621 -4.000 3.152 + 1228TIP3 OH243166 2.168 -4.142 3.182 + 1228TIP3 H143167 2.145 -4.226 3.137 + 1228TIP3 H243168 2.081 -4.098 3.188 + 1228TIP3 OH243169 2.058 -2.461 1.512 + 1228TIP3 H143170 2.154 -2.448 1.520 + 1228TIP3 H243171 2.041 -2.414 1.429 + 1228TIP3 OH243172 1.448 -3.021 1.467 + 1228TIP3 H143173 1.544 -3.001 1.478 + 1228TIP3 H243174 1.451 -3.098 1.407 + 1228TIP3 OH243175 1.348 -2.501 1.938 + 1228TIP3 H143176 1.277 -2.538 1.883 + 1228TIP3 H243177 1.357 -2.570 2.007 + 1229TIP3 OH243178 1.387 -2.699 2.137 + 1229TIP3 H143179 1.357 -2.786 2.168 + 1229TIP3 H243180 1.421 -2.663 2.220 + 1229TIP3 OH243181 3.141 -2.576 2.441 + 1229TIP3 H143182 3.149 -2.569 2.538 + 1229TIP3 H243183 3.228 -2.547 2.413 + 1229TIP3 OH243184 3.134 -2.617 2.722 + 1229TIP3 H143185 3.074 -2.690 2.698 + 1229TIP3 H243186 3.182 -2.655 2.797 + 1229TIP3 OH243187 2.933 -3.080 3.161 + 1229TIP3 H143188 2.844 -3.066 3.198 + 1229TIP3 H243189 2.978 -2.998 3.184 + 1229TIP3 OH243190 3.071 -3.194 1.727 + 1229TIP3 H143191 3.162 -3.162 1.744 + 1229TIP3 H243192 3.062 -3.258 1.800 + 1229TIP3 OH243193 3.116 -3.398 1.925 + 1229TIP3 H143194 3.050 -3.455 1.968 + 1229TIP3 H243195 3.185 -3.387 1.993 + 1229TIP3 OH243196 3.089 -3.151 2.426 + 1229TIP3 H143197 3.150 -3.197 2.366 + 1229TIP3 H243198 3.099 -3.059 2.396 + 1229TIP3 OH243199 2.961 -2.861 2.651 + 1229TIP3 H143200 2.889 -2.815 2.698 + 1229TIP3 H243201 2.916 -2.893 2.570 + 1229TIP3 OH243202 3.143 -3.454 1.583 + 1229TIP3 H143203 3.091 -3.426 1.505 + 1229TIP3 H243204 3.129 -3.379 1.643 + 1229TIP3 OH243205 2.971 -3.699 1.409 + 1229TIP3 H143206 2.996 -3.639 1.338 + 1229TIP3 H243207 2.944 -3.779 1.360 + 1230TIP3 OH243208 2.912 -3.584 2.008 + 1230TIP3 H143209 2.903 -3.679 1.988 + 1230TIP3 H243210 2.872 -3.577 2.096 + 1230TIP3 OH243211 1.395 -3.361 2.377 + 1230TIP3 H143212 1.421 -3.364 2.283 + 1230TIP3 H243213 1.479 -3.385 2.420 + 1230TIP3 OH243214 3.065 -3.584 3.021 + 1230TIP3 H143215 3.042 -3.653 2.957 + 1230TIP3 H243216 3.161 -3.601 3.030 + 1230TIP3 OH243217 2.911 -3.968 1.326 + 1230TIP3 H143218 2.969 -4.013 1.390 + 1230TIP3 H243219 2.829 -4.018 1.334 + 1230TIP3 OH243220 2.894 -3.827 1.827 + 1230TIP3 H143221 2.911 -3.924 1.832 + 1230TIP3 H243222 2.976 -3.797 1.783 + 1230TIP3 OH243223 2.919 -3.774 2.366 + 1230TIP3 H143224 3.017 -3.767 2.363 + 1230TIP3 H243225 2.905 -3.776 2.462 + 1230TIP3 OH243226 2.933 -3.702 2.657 + 1230TIP3 H143227 2.851 -3.660 2.687 + 1230TIP3 H243228 2.985 -3.625 2.626 + 1230TIP3 OH243229 1.386 -3.836 3.019 + 1230TIP3 H143230 1.479 -3.860 3.007 + 1230TIP3 H243231 1.344 -3.923 3.022 + 1230TIP3 OH243232 3.146 -4.275 3.225 + 1230TIP3 H143233 3.205 -4.349 3.207 + 1230TIP3 H243234 3.155 -4.215 3.147 + 1230TIP3 OH243235 2.923 -4.098 1.834 + 1230TIP3 H143236 2.945 -4.150 1.913 + 1230TIP3 H243237 2.861 -4.159 1.789 + 1231TIP3 OH243238 1.488 -3.991 2.312 + 1231TIP3 H143239 1.527 -4.081 2.325 + 1231TIP3 H243240 1.568 -3.940 2.336 + 1231TIP3 OH243241 1.315 -3.721 2.389 + 1231TIP3 H143242 1.388 -3.743 2.328 + 1231TIP3 H243243 1.359 -3.654 2.443 + 1231TIP3 OH243244 3.131 -4.106 3.010 + 1231TIP3 H143245 3.045 -4.061 3.010 + 1231TIP3 H243246 3.127 -4.146 2.921 + 1231TIP3 OH243247 3.137 -4.059 1.498 + 1231TIP3 H143248 3.154 -4.143 1.449 + 1231TIP3 H243249 3.223 -4.014 1.494 + 1231TIP3 OH243250 1.369 -4.107 1.799 + 1231TIP3 H143251 1.275 -4.090 1.786 + 1231TIP3 H243252 1.411 -4.035 1.748 + 1231TIP3 OH243253 2.829 -2.564 2.016 + 1231TIP3 H143254 2.877 -2.592 1.937 + 1231TIP3 H243255 2.899 -2.534 2.074 + 1231TIP3 OH243256 1.362 -4.149 2.653 + 1231TIP3 H143257 1.303 -4.219 2.684 + 1231TIP3 H243258 1.327 -4.128 2.565 + 1231TIP3 OH243259 1.570 -2.899 3.093 + 1231TIP3 H143260 1.500 -2.900 3.026 + 1231TIP3 H243261 1.520 -2.898 3.175 + 1231TIP3 OH243262 1.854 -2.797 2.658 + 1231TIP3 H143263 1.823 -2.712 2.622 + 1231TIP3 H243264 1.950 -2.788 2.640 + 1231TIP3 OH243265 2.304 -2.669 2.958 + 1231TIP3 H143266 2.321 -2.684 3.052 + 1231TIP3 H243267 2.385 -2.622 2.931 + 1232TIP3 OH243268 2.530 -2.526 2.885 + 1232TIP3 H143269 2.601 -2.586 2.855 + 1232TIP3 H243270 2.570 -2.490 2.966 + 1232TIP3 OH243271 2.992 -4.276 2.804 + 1232TIP3 H143272 2.941 -4.214 2.748 + 1232TIP3 H243273 3.013 -4.343 2.738 + 1232TIP3 OH243274 1.592 -2.502 2.691 + 1232TIP3 H143275 1.532 -2.440 2.646 + 1232TIP3 H243276 1.557 -2.499 2.780 + 1232TIP3 OH243277 1.842 -2.525 2.546 + 1232TIP3 H143278 1.755 -2.507 2.590 + 1232TIP3 H243279 1.844 -2.457 2.477 + 1232TIP3 OH243280 2.317 -2.527 2.502 + 1232TIP3 H143281 2.279 -2.482 2.425 + 1232TIP3 H243282 2.326 -2.452 2.565 + 1232TIP3 OH243283 2.556 -2.650 2.593 + 1232TIP3 H143284 2.472 -2.614 2.559 + 1232TIP3 H243285 2.612 -2.571 2.591 + 1232TIP3 OH243286 2.805 -2.490 2.627 + 1232TIP3 H143287 2.817 -2.393 2.624 + 1232TIP3 H243288 2.842 -2.516 2.542 + 1232TIP3 OH243289 1.550 -2.623 2.385 + 1232TIP3 H143290 1.548 -2.673 2.470 + 1232TIP3 H243291 1.625 -2.667 2.341 + 1232TIP3 OH243292 1.751 -2.747 2.230 + 1232TIP3 H143293 1.736 -2.841 2.255 + 1232TIP3 H243294 1.843 -2.733 2.260 + 1232TIP3 OH243295 2.028 -2.701 2.317 + 1232TIP3 H143296 2.046 -2.794 2.295 + 1232TIP3 H243297 2.034 -2.705 2.414 + 1233TIP3 OH243298 2.357 -4.108 2.251 + 1233TIP3 H143299 2.288 -4.172 2.277 + 1233TIP3 H243300 2.405 -4.156 2.182 + 1233TIP3 OH243301 2.884 -4.328 2.294 + 1233TIP3 H143302 2.944 -4.289 2.228 + 1233TIP3 H243303 2.797 -4.306 2.258 + 1233TIP3 OH243304 3.084 -4.226 2.077 + 1233TIP3 H143305 3.134 -4.246 1.997 + 1233TIP3 H243306 3.099 -4.130 2.086 + 1233TIP3 OH243307 1.590 -4.280 1.976 + 1233TIP3 H143308 1.500 -4.310 1.959 + 1233TIP3 H243309 1.632 -4.358 2.014 + 1233TIP3 OH243310 1.448 -4.291 1.602 + 1233TIP3 H143311 1.498 -4.243 1.532 + 1233TIP3 H243312 1.417 -4.217 1.657 + 1233TIP3 OH243313 2.055 -4.248 1.983 + 1233TIP3 H143314 2.150 -4.229 1.993 + 1233TIP3 H243315 2.030 -4.288 2.067 + 1233TIP3 OH243316 2.607 -4.267 2.145 + 1233TIP3 H143317 2.627 -4.259 2.052 + 1233TIP3 H243318 2.582 -4.360 2.155 + 1233TIP3 OH243319 2.709 -4.273 1.736 + 1233TIP3 H143320 2.634 -4.212 1.719 + 1233TIP3 H243321 2.667 -4.359 1.734 + 1233TIP3 OH243322 1.492 -2.696 1.708 + 1233TIP3 H143323 1.431 -2.707 1.634 + 1233TIP3 H243324 1.492 -2.600 1.715 + 1233TIP3 OH243325 1.644 -4.126 1.447 + 1233TIP3 H143326 1.715 -4.160 1.390 + 1233TIP3 H243327 1.696 -4.075 1.513 + 1234TIP3 OH243328 2.170 -4.059 1.673 + 1234TIP3 H143329 2.174 -4.146 1.718 + 1234TIP3 H243330 2.180 -3.994 1.744 + 1234TIP3 OH243331 2.362 -2.514 1.521 + 1234TIP3 H143332 2.460 -2.512 1.515 + 1234TIP3 H243333 2.341 -2.578 1.452 + 1234TIP3 OH243334 3.014 -2.611 1.778 + 1234TIP3 H143335 2.989 -2.695 1.735 + 1234TIP3 H243336 3.006 -2.549 1.703 + 1234TIP3 OH243337 1.552 -4.180 2.928 + 1234TIP3 H143338 1.513 -4.259 2.968 + 1234TIP3 H243339 1.641 -4.214 2.909 + 1234TIP3 OH243340 1.849 -4.278 3.190 + 1234TIP3 H143341 1.935 -4.306 3.151 + 1234TIP3 H243342 1.823 -4.358 3.237 + 1234TIP3 OH243343 1.636 -2.605 1.388 + 1234TIP3 H143344 1.615 -2.572 1.476 + 1234TIP3 H243345 1.716 -2.657 1.402 + 1234TIP3 OH243346 2.961 -2.718 3.026 + 1234TIP3 H143347 2.891 -2.728 2.960 + 1234TIP3 H243348 2.977 -2.622 3.025 + 1234TIP3 OH243349 4.213 -3.458 2.344 + 1234TIP3 H143350 4.291 -3.430 2.395 + 1234TIP3 H243351 4.248 -3.459 2.254 + 1234TIP3 OH243352 3.514 -3.464 2.505 + 1234TIP3 H143353 3.515 -3.539 2.567 + 1234TIP3 H243354 3.588 -3.410 2.539 + 1234TIP3 OH243355 3.582 -2.999 2.352 + 1234TIP3 H143356 3.557 -3.091 2.328 + 1234TIP3 H243357 3.674 -3.013 2.377 + 1235TIP3 OH243358 3.279 -3.662 1.893 + 1235TIP3 H143359 3.241 -3.573 1.901 + 1235TIP3 H243360 3.207 -3.710 1.852 + 1235TIP3 OH243361 3.361 -3.414 2.078 + 1235TIP3 H143362 3.375 -3.497 2.127 + 1235TIP3 H243363 3.445 -3.404 2.031 + 1235TIP3 OH243364 4.120 -3.171 2.404 + 1235TIP3 H143365 4.146 -3.245 2.347 + 1235TIP3 H243366 4.204 -3.151 2.447 + 1235TIP3 OH243367 3.742 -3.941 2.155 + 1235TIP3 H143368 3.759 -3.856 2.110 + 1235TIP3 H243369 3.708 -3.993 2.079 + 1235TIP3 OH243370 3.411 -3.663 2.202 + 1235TIP3 H143371 3.473 -3.711 2.259 + 1235TIP3 H243372 3.420 -3.712 2.119 + 1235TIP3 OH243373 3.951 -3.529 2.151 + 1235TIP3 H143374 4.027 -3.580 2.185 + 1235TIP3 H243375 3.902 -3.598 2.103 + 1235TIP3 OH243376 3.620 -4.056 2.573 + 1235TIP3 H143377 3.588 -4.002 2.499 + 1235TIP3 H243378 3.553 -4.033 2.641 + 1235TIP3 OH243379 3.915 -3.275 2.583 + 1235TIP3 H143380 3.843 -3.214 2.607 + 1235TIP3 H243381 3.981 -3.215 2.544 + 1235TIP3 OH243382 3.584 -3.856 2.364 + 1235TIP3 H143383 3.647 -3.795 2.407 + 1235TIP3 H243384 3.640 -3.890 2.291 + 1235TIP3 OH243385 3.715 -3.084 2.653 + 1235TIP3 H143386 3.714 -2.991 2.622 + 1235TIP3 H243387 3.628 -3.086 2.697 + 1236TIP3 OH243388 3.348 -3.112 1.741 + 1236TIP3 H143389 3.327 -3.062 1.661 + 1236TIP3 H243390 3.364 -3.042 1.808 + 1236TIP3 OH243391 4.046 4.379 2.291 + 1236TIP3 H143392 4.045 4.283 2.306 + 1236TIP3 H243393 3.960 4.410 2.325 + 1236TIP3 OH243394 4.264 -3.433 1.743 + 1236TIP3 H143395 4.199 -3.361 1.732 + 1236TIP3 H243396 4.334 -3.403 1.685 + 1236TIP3 OH243397 4.287 -3.582 1.464 + 1236TIP3 H143398 4.369 -3.582 1.516 + 1236TIP3 H243399 4.297 -3.660 1.408 + 1236TIP3 OH243400 3.758 -3.339 2.042 + 1236TIP3 H143401 3.728 -3.382 1.960 + 1236TIP3 H243402 3.823 -3.403 2.075 + 1236TIP3 OH243403 3.898 -2.999 2.316 + 1236TIP3 H143404 3.888 -3.040 2.229 + 1236TIP3 H243405 3.977 -3.045 2.351 + 1236TIP3 OH243406 3.816 -3.457 2.390 + 1236TIP3 H143407 3.876 -3.458 2.312 + 1236TIP3 H243408 3.858 -3.391 2.448 + 1236TIP3 OH243409 3.902 -3.023 2.873 + 1236TIP3 H143410 3.851 -2.955 2.921 + 1236TIP3 H243411 3.840 -3.048 2.803 + 1236TIP3 OH243412 3.595 -3.390 2.790 + 1236TIP3 H143413 3.600 -3.327 2.864 + 1236TIP3 H243414 3.500 -3.395 2.774 + 1236TIP3 OH243415 4.251 -2.815 1.960 + 1236TIP3 H143416 4.299 -2.765 2.028 + 1236TIP3 H243417 4.199 -2.745 1.918 + 1237TIP3 OH243418 3.714 -2.811 2.954 + 1237TIP3 H143419 3.702 -2.802 2.857 + 1237TIP3 H243420 3.622 -2.825 2.984 + 1237TIP3 OH243421 3.649 -3.463 1.796 + 1237TIP3 H143422 3.630 -3.387 1.738 + 1237TIP3 H243423 3.583 -3.527 1.766 + 1237TIP3 OH243424 3.257 -3.195 2.666 + 1237TIP3 H143425 3.213 -3.194 2.579 + 1237TIP3 H243426 3.269 -3.291 2.682 + 1237TIP3 OH243427 3.262 -2.902 2.359 + 1237TIP3 H143428 3.354 -2.930 2.368 + 1237TIP3 H243429 3.253 -2.842 2.434 + 1237TIP3 OH243430 4.173 -2.921 2.823 + 1237TIP3 H143431 4.180 -2.832 2.861 + 1237TIP3 H243432 4.082 -2.948 2.845 + 1237TIP3 OH243433 4.176 -2.533 1.811 + 1237TIP3 H143434 4.207 -2.538 1.720 + 1237TIP3 H243435 4.212 -2.450 1.844 + 1237TIP3 OH243436 3.573 -2.622 1.979 + 1237TIP3 H143437 3.589 -2.669 2.063 + 1237TIP3 H243438 3.492 -2.665 1.948 + 1237TIP3 OH243439 3.477 -3.044 2.789 + 1237TIP3 H143440 3.500 -3.089 2.872 + 1237TIP3 H243441 3.399 -3.093 2.758 + 1237TIP3 OH243442 3.795 -4.219 2.382 + 1237TIP3 H143443 3.711 -4.238 2.339 + 1237TIP3 H243444 3.776 -4.135 2.425 + 1237TIP3 OH243445 4.223 -4.291 2.743 + 1237TIP3 H143446 4.251 -4.356 2.812 + 1237TIP3 H243447 4.131 -4.279 2.768 + 1238TIP3 OH243448 4.227 -3.991 1.464 + 1238TIP3 H143449 4.161 -4.003 1.534 + 1238TIP3 H243450 4.189 -4.050 1.396 + 1238TIP3 OH243451 3.778 -3.714 2.509 + 1238TIP3 H143452 3.718 -3.701 2.584 + 1238TIP3 H243453 3.788 -3.624 2.473 + 1238TIP3 OH243454 3.774 -3.711 1.999 + 1238TIP3 H143455 3.679 -3.717 1.982 + 1238TIP3 H243456 3.809 -3.726 1.909 + 1238TIP3 OH243457 4.293 -3.682 1.887 + 1238TIP3 H143458 4.266 -3.589 1.875 + 1238TIP3 H243459 4.317 -3.707 1.798 + 1238TIP3 OH243460 4.250 -3.626 3.029 + 1238TIP3 H143461 4.193 -3.706 3.041 + 1238TIP3 H243462 4.337 -3.670 3.032 + 1238TIP3 OH243463 3.517 -3.697 2.692 + 1238TIP3 H143464 3.547 -3.669 2.780 + 1238TIP3 H243465 3.478 -3.784 2.712 + 1238TIP3 OH243466 3.861 -3.939 1.352 + 1238TIP3 H143467 3.821 -3.978 1.431 + 1238TIP3 H243468 3.784 -3.924 1.294 + 1238TIP3 OH243469 3.197 -3.956 2.057 + 1238TIP3 H143470 3.255 -3.957 2.135 + 1238TIP3 H243471 3.252 -3.993 1.987 + 1238TIP3 OH243472 3.358 -3.910 1.629 + 1238TIP3 H143473 3.411 -3.860 1.564 + 1238TIP3 H243474 3.286 -3.847 1.646 + 1238TIP3 OH243475 4.350 -3.572 2.634 + 1238TIP3 H143476 4.380 -3.638 2.567 + 1238TIP3 H243477 4.272 -3.617 2.669 + 1239TIP3 OH243478 4.047 -3.972 2.097 + 1239TIP3 H143479 3.955 -3.963 2.126 + 1239TIP3 H243480 4.095 -3.957 2.180 + 1239TIP3 OH243481 3.507 -3.827 1.968 + 1239TIP3 H143482 3.427 -3.798 1.921 + 1239TIP3 H243483 3.535 -3.908 1.920 + 1239TIP3 OH243484 3.865 -3.791 1.736 + 1239TIP3 H143485 3.961 -3.788 1.741 + 1239TIP3 H243486 3.843 -3.731 1.662 + 1239TIP3 OH243487 3.722 -3.670 1.511 + 1239TIP3 H143488 3.662 -3.694 1.439 + 1239TIP3 H243489 3.804 -3.653 1.461 + 1239TIP3 OH243490 3.576 -3.204 3.014 + 1239TIP3 H143491 3.648 -3.193 3.079 + 1239TIP3 H243492 3.501 -3.176 3.068 + 1239TIP3 OH243493 4.141 -3.736 2.239 + 1239TIP3 H143494 4.220 -3.770 2.197 + 1239TIP3 H243495 4.164 -3.743 2.333 + 1239TIP3 OH243496 3.668 -4.066 1.907 + 1239TIP3 H143497 3.622 -4.152 1.917 + 1239TIP3 H243498 3.750 -4.092 1.864 + 1239TIP3 OH243499 4.048 -3.859 2.513 + 1239TIP3 H143500 3.979 -3.792 2.496 + 1239TIP3 H243501 4.101 -3.816 2.582 + 1239TIP3 OH243502 4.073 -3.225 1.701 + 1239TIP3 H143503 3.995 -3.271 1.664 + 1239TIP3 H243504 4.049 -3.214 1.796 + 1239TIP3 OH243505 4.205 -3.224 2.824 + 1239TIP3 H143506 4.184 -3.233 2.917 + 1239TIP3 H243507 4.214 -3.128 2.812 + 1240TIP3 OH243508 3.579 -3.271 2.279 + 1240TIP3 H143509 3.635 -3.281 2.200 + 1240TIP3 H243510 3.590 -3.357 2.322 + 1240TIP3 OH243511 4.287 -3.082 1.597 + 1240TIP3 H143512 4.260 -2.993 1.627 + 1240TIP3 H243513 4.211 -3.135 1.629 + 1240TIP3 OH243514 3.305 -3.443 2.803 + 1240TIP3 H143515 3.326 -3.491 2.885 + 1240TIP3 H243516 3.247 -3.504 2.754 + 1240TIP3 OH243517 4.001 -3.494 3.007 + 1240TIP3 H143518 3.967 -3.523 2.921 + 1240TIP3 H243519 4.096 -3.518 2.999 + 1240TIP3 OH243520 3.815 -2.943 2.003 + 1240TIP3 H143521 3.858 -2.857 1.992 + 1240TIP3 H243522 3.723 -2.922 1.982 + 1240TIP3 OH243523 3.415 -3.463 1.466 + 1240TIP3 H143524 3.473 -3.394 1.505 + 1240TIP3 H243525 3.328 -3.435 1.498 + 1240TIP3 OH243526 3.994 -3.174 1.964 + 1240TIP3 H143527 3.968 -3.082 1.980 + 1240TIP3 H243528 3.923 -3.223 2.008 + 1240TIP3 OH243529 4.020 -2.743 2.606 + 1240TIP3 H143530 4.078 -2.672 2.572 + 1240TIP3 H243531 4.083 -2.796 2.655 + 1240TIP3 OH243532 3.859 -2.652 1.924 + 1240TIP3 H143533 3.764 -2.637 1.936 + 1240TIP3 H243534 3.896 -2.565 1.949 + 1240TIP3 OH243535 3.435 -3.959 2.768 + 1240TIP3 H143536 3.344 -3.941 2.736 + 1240TIP3 H243537 3.420 -4.046 2.810 + 1241TIP3 OH243538 3.416 -2.802 2.604 + 1241TIP3 H143539 3.442 -2.892 2.627 + 1241TIP3 H243540 3.424 -2.759 2.691 + 1241TIP3 OH243541 3.993 -2.933 1.309 + 1241TIP3 H143542 4.029 -3.008 1.258 + 1241TIP3 H243543 3.957 -2.978 1.387 + 1241TIP3 OH243544 3.885 -2.990 1.584 + 1241TIP3 H143545 3.934 -3.041 1.651 + 1241TIP3 H243546 3.899 -2.898 1.614 + 1241TIP3 OH243547 3.566 -3.241 1.619 + 1241TIP3 H143548 3.493 -3.203 1.672 + 1241TIP3 H243549 3.614 -3.161 1.591 + 1241TIP3 OH243550 4.329 -3.932 2.679 + 1241TIP3 H143551 4.393 -4.004 2.667 + 1241TIP3 H243552 4.268 -3.960 2.609 + 1241TIP3 OH243553 4.169 -2.823 1.637 + 1241TIP3 H143554 4.088 -2.772 1.657 + 1241TIP3 H243555 4.209 -2.770 1.568 + 1241TIP3 OH243556 4.118 -3.879 1.847 + 1241TIP3 H143557 4.186 -3.813 1.872 + 1241TIP3 H243558 4.085 -3.900 1.937 + 1241TIP3 OH243559 4.149 -3.762 2.775 + 1241TIP3 H143560 4.185 -3.704 2.842 + 1241TIP3 H243561 4.220 -3.828 2.762 + 1241TIP3 OH243562 4.200 -4.171 1.968 + 1241TIP3 H143563 4.172 -4.085 2.007 + 1241TIP3 H243564 4.272 -4.145 1.908 + 1241TIP3 OH243565 3.894 -2.717 1.641 + 1241TIP3 H143566 3.890 -2.635 1.589 + 1241TIP3 H243567 3.882 -2.683 1.732 + 1242TIP3 OH243568 3.766 -4.051 1.595 + 1242TIP3 H143569 3.767 -3.967 1.645 + 1242TIP3 H243570 3.856 -4.083 1.614 + 1242TIP3 OH243571 3.611 -2.959 1.495 + 1242TIP3 H143572 3.685 -2.912 1.537 + 1242TIP3 H243573 3.660 -3.011 1.429 + 1242TIP3 OH243574 3.423 -3.745 1.408 + 1242TIP3 H143575 3.435 -3.650 1.430 + 1242TIP3 H243576 3.338 -3.744 1.363 + 1242TIP3 OH243577 3.443 -4.241 2.306 + 1242TIP3 H143578 3.476 -4.241 2.215 + 1242TIP3 H243579 3.459 -4.335 2.328 + 1242TIP3 OH243580 3.405 -2.890 1.913 + 1242TIP3 H143581 3.328 -2.838 1.940 + 1242TIP3 H243582 3.441 -2.836 1.841 + 1242TIP3 OH243583 3.376 -2.630 3.018 + 1242TIP3 H143584 3.391 -2.613 3.112 + 1242TIP3 H243585 3.286 -2.665 3.016 + 1242TIP3 OH243586 3.815 -2.693 3.208 + 1242TIP3 H143587 3.883 -2.760 3.227 + 1242TIP3 H243588 3.791 -2.718 3.117 + 1242TIP3 OH243589 4.230 -2.768 1.342 + 1242TIP3 H143590 4.147 -2.821 1.341 + 1242TIP3 H243591 4.294 -2.840 1.327 + 1242TIP3 OH243592 3.315 -3.247 3.150 + 1242TIP3 H143593 3.349 -3.322 3.100 + 1242TIP3 H243594 3.256 -3.204 3.085 + 1242TIP3 OH243595 3.763 -3.192 1.342 + 1242TIP3 H143596 3.780 -3.252 1.417 + 1242TIP3 H243597 3.848 -3.196 1.295 + 1243TIP3 OH243598 4.008 -3.214 3.073 + 1243TIP3 H143599 3.979 -3.181 2.986 + 1243TIP3 H243600 4.015 -3.310 3.058 + 1243TIP3 OH243601 4.260 -3.060 1.298 + 1243TIP3 H143602 4.278 -3.050 1.393 + 1243TIP3 H243603 4.244 -3.155 1.291 + 1243TIP3 OH243604 3.411 -3.533 3.063 + 1243TIP3 H143605 3.492 -3.586 3.055 + 1243TIP3 H243606 3.422 -3.499 3.153 + 1243TIP3 OH243607 3.870 -3.386 1.573 + 1243TIP3 H143608 3.809 -3.437 1.628 + 1243TIP3 H243609 3.902 -3.455 1.512 + 1243TIP3 OH243610 3.795 -3.605 2.803 + 1243TIP3 H143611 3.739 -3.526 2.818 + 1243TIP3 H243612 3.854 -3.574 2.733 + 1243TIP3 OH243613 3.978 -3.585 1.404 + 1243TIP3 H143614 3.969 -3.579 1.308 + 1243TIP3 H243615 4.074 -3.573 1.415 + 1243TIP3 OH243616 4.284 -3.359 3.172 + 1243TIP3 H143617 4.355 -3.390 3.115 + 1243TIP3 H243618 4.266 -3.439 3.224 + 1243TIP3 OH243619 3.851 -3.880 2.915 + 1243TIP3 H143620 3.865 -3.943 2.842 + 1243TIP3 H243621 3.840 -3.797 2.866 + 1243TIP3 OH243622 3.890 -4.037 2.652 + 1243TIP3 H143623 3.943 -3.978 2.593 + 1243TIP3 H243624 3.799 -4.023 2.619 + 1243TIP3 OH243625 4.066 -3.493 2.690 + 1243TIP3 H143626 4.136 -3.492 2.624 + 1243TIP3 H243627 4.029 -3.404 2.678 + 1244TIP3 OH243628 3.666 -3.695 3.093 + 1244TIP3 H143629 3.621 -3.782 3.093 + 1244TIP3 H243630 3.749 -3.717 3.049 + 1244TIP3 OH243631 3.932 -4.273 2.778 + 1244TIP3 H143632 3.950 -4.186 2.737 + 1244TIP3 H243633 3.839 -4.281 2.753 + 1244TIP3 OH243634 4.105 -3.855 3.069 + 1244TIP3 H143635 4.070 -3.886 3.154 + 1244TIP3 H243636 4.030 -3.876 3.011 + 1244TIP3 OH243637 3.549 -3.956 3.083 + 1244TIP3 H143638 3.525 -4.016 3.010 + 1244TIP3 H243639 3.506 -3.998 3.159 + 1244TIP3 OH243640 4.051 -4.153 3.183 + 1244TIP3 H143641 4.027 -4.234 3.134 + 1244TIP3 H243642 3.969 -4.102 3.183 + 1244TIP3 OH243643 3.955 -2.459 1.514 + 1244TIP3 H143644 4.051 -2.458 1.520 + 1244TIP3 H243645 3.941 -2.417 1.429 + 1244TIP3 OH243646 3.334 -3.020 1.464 + 1244TIP3 H143647 3.430 -3.002 1.478 + 1244TIP3 H243648 3.336 -3.099 1.407 + 1244TIP3 OH243649 3.233 -2.500 1.938 + 1244TIP3 H143650 3.162 -2.538 1.884 + 1244TIP3 H243651 3.243 -2.569 2.007 + 1244TIP3 OH243652 3.273 -2.698 2.136 + 1244TIP3 H143653 3.243 -2.785 2.168 + 1244TIP3 H243654 3.305 -2.662 2.220 + 1244TIP3 OH243655 3.280 -3.368 2.377 + 1244TIP3 H143656 3.304 -3.359 2.284 + 1244TIP3 H243657 3.368 -3.386 2.417 + 1245TIP3 OH243658 3.258 -3.825 3.041 + 1245TIP3 H143659 3.348 -3.841 3.010 + 1245TIP3 H243660 3.216 -3.911 3.024 + 1245TIP3 OH243661 3.341 -3.991 2.299 + 1245TIP3 H143662 3.374 -4.083 2.309 + 1245TIP3 H243663 3.417 -3.940 2.333 + 1245TIP3 OH243664 3.203 -3.729 2.402 + 1245TIP3 H143665 3.260 -3.735 2.323 + 1245TIP3 H243666 3.241 -3.652 2.446 + 1245TIP3 OH243667 3.256 -4.102 1.806 + 1245TIP3 H143668 3.161 -4.094 1.786 + 1245TIP3 H243669 3.296 -4.034 1.748 + 1245TIP3 OH243670 3.230 -4.124 2.661 + 1245TIP3 H143671 3.234 -4.218 2.686 + 1245TIP3 H243672 3.214 -4.131 2.566 + 1245TIP3 OH243673 3.443 -2.928 3.094 + 1245TIP3 H143674 3.388 -2.888 3.024 + 1245TIP3 H243675 3.413 -2.881 3.172 + 1245TIP3 OH243676 3.742 -2.799 2.657 + 1245TIP3 H143677 3.707 -2.714 2.624 + 1245TIP3 H243678 3.837 -2.786 2.639 + 1245TIP3 OH243679 4.220 -2.634 2.947 + 1245TIP3 H143680 4.204 -2.671 3.035 + 1245TIP3 H243681 4.314 -2.613 2.953 + 1245TIP3 OH243682 3.472 -2.498 2.684 + 1245TIP3 H143683 3.402 -2.440 2.649 + 1245TIP3 H243684 3.448 -2.499 2.777 + 1245TIP3 OH243685 3.727 -2.521 2.549 + 1245TIP3 H143686 3.641 -2.507 2.593 + 1245TIP3 H243687 3.726 -2.454 2.480 + 1246TIP3 OH243688 4.196 -2.548 2.503 + 1246TIP3 H143689 4.178 -2.499 2.421 + 1246TIP3 H243690 4.258 -2.490 2.549 + 1246TIP3 OH243691 3.437 -2.621 2.383 + 1246TIP3 H143692 3.432 -2.668 2.470 + 1246TIP3 H243693 3.511 -2.668 2.342 + 1246TIP3 OH243694 3.638 -2.748 2.227 + 1246TIP3 H143695 3.621 -2.841 2.255 + 1246TIP3 H243696 3.728 -2.734 2.261 + 1246TIP3 OH243697 3.912 -2.699 2.318 + 1246TIP3 H143698 3.934 -2.791 2.295 + 1246TIP3 H243699 3.921 -2.702 2.414 + 1246TIP3 OH243700 4.255 -4.141 2.255 + 1246TIP3 H143701 4.179 -4.199 2.270 + 1246TIP3 H243702 4.291 -4.176 2.173 + 1246TIP3 OH243703 3.478 -4.283 1.980 + 1246TIP3 H143704 3.387 -4.306 1.957 + 1246TIP3 H243705 3.512 -4.366 2.016 + 1246TIP3 OH243706 3.338 -4.291 1.603 + 1246TIP3 H143707 3.382 -4.243 1.531 + 1246TIP3 H243708 3.299 -4.217 1.653 + 1246TIP3 OH243709 3.937 -4.252 1.981 + 1246TIP3 H143710 4.030 -4.224 1.991 + 1246TIP3 H243711 3.919 -4.288 2.069 + 1246TIP3 OH243712 3.381 -2.696 1.707 + 1246TIP3 H143713 3.316 -2.709 1.637 + 1246TIP3 H243714 3.377 -2.600 1.716 + 1246TIP3 OH243715 3.528 -4.128 1.447 + 1246TIP3 H143716 3.598 -4.161 1.388 + 1246TIP3 H243717 3.581 -4.074 1.509 + 1247TIP3 OH243718 4.050 -4.071 1.670 + 1247TIP3 H143719 4.065 -4.153 1.720 + 1247TIP3 H243720 4.062 -4.002 1.739 + 1247TIP3 OH243721 4.262 -2.530 1.515 + 1247TIP3 H143722 4.351 -2.495 1.499 + 1247TIP3 H243723 4.250 -2.592 1.441 + 1247TIP3 OH243724 3.439 -4.180 2.925 + 1247TIP3 H143725 3.397 -4.261 2.957 + 1247TIP3 H243726 3.529 -4.214 2.911 + 1247TIP3 OH243727 3.731 -4.278 3.191 + 1247TIP3 H143728 3.818 -4.305 3.154 + 1247TIP3 H243729 3.706 -4.358 3.239 + 1247TIP3 OH243730 3.526 -2.597 1.388 + 1247TIP3 H143731 3.499 -2.577 1.478 + 1247TIP3 H243732 3.599 -2.660 1.402 + 1247TIP3 OH243733 -3.159 -1.480 2.030 + 1247TIP3 H143734 -3.164 -1.383 2.035 + 1247TIP3 H243735 -3.235 -1.500 1.973 + 1247TIP3 OH243736 -3.273 -1.537 2.338 + 1247TIP3 H143737 -3.276 -1.595 2.415 + 1247TIP3 H243738 -3.300 -1.598 2.267 + 1247TIP3 OH243739 -4.027 -1.577 2.501 + 1247TIP3 H143740 -4.031 -1.650 2.565 + 1247TIP3 H243741 -3.957 -1.522 2.540 + 1247TIP3 OH243742 -2.904 -1.253 2.171 + 1247TIP3 H143743 -2.940 -1.331 2.215 + 1247TIP3 H243744 -2.879 -1.198 2.246 + 1247TIP3 OH243745 -3.952 -1.115 2.359 + 1247TIP3 H143746 -3.977 -1.208 2.343 + 1247TIP3 H243747 -3.862 -1.124 2.393 + 1248TIP3 OH243748 -4.215 -1.740 1.767 + 1248TIP3 H143749 -4.239 -1.664 1.821 + 1248TIP3 H243750 -4.296 -1.793 1.773 + 1248TIP3 OH243751 -4.206 -1.547 2.052 + 1248TIP3 H143752 -4.185 -1.600 2.130 + 1248TIP3 H243753 -4.126 -1.495 2.040 + 1248TIP3 OH243754 -3.171 -0.747 2.211 + 1248TIP3 H143755 -3.126 -0.832 2.214 + 1248TIP3 H243756 -3.218 -0.747 2.296 + 1248TIP3 OH243757 -3.433 -1.293 2.397 + 1248TIP3 H143758 -3.398 -1.364 2.341 + 1248TIP3 H243759 -3.355 -1.276 2.453 + 1248TIP3 OH243760 -2.561 -2.133 2.457 + 1248TIP3 H143761 -2.533 -2.073 2.528 + 1248TIP3 H243762 -2.499 -2.108 2.386 + 1248TIP3 OH243763 -3.098 -1.851 2.445 + 1248TIP3 H143764 -3.083 -1.947 2.451 + 1248TIP3 H243765 -3.105 -1.839 2.349 + 1248TIP3 OH243766 -3.800 -2.052 2.152 + 1248TIP3 H143767 -3.784 -1.967 2.106 + 1248TIP3 H243768 -3.834 -2.105 2.078 + 1248TIP3 OH243769 -3.014 -2.033 1.985 + 1248TIP3 H143770 -2.955 -2.076 2.051 + 1248TIP3 H243771 -2.948 -1.991 1.928 + 1248TIP3 OH243772 -4.140 -1.782 2.207 + 1248TIP3 H143773 -4.077 -1.819 2.271 + 1248TIP3 H243774 -4.117 -1.833 2.127 + 1248TIP3 OH243775 -3.594 -1.640 2.152 + 1248TIP3 H143776 -3.523 -1.694 2.191 + 1248TIP3 H243777 -3.644 -1.706 2.102 + 1249TIP3 OH243778 -2.487 -1.997 2.706 + 1249TIP3 H143779 -2.546 -1.925 2.677 + 1249TIP3 H243780 -2.507 -2.000 2.800 + 1249TIP3 OH243781 -3.918 -2.169 2.569 + 1249TIP3 H143782 -3.964 -2.126 2.496 + 1249TIP3 H243783 -3.981 -2.153 2.642 + 1249TIP3 OH243784 -3.177 -1.201 1.910 + 1249TIP3 H143785 -3.198 -1.225 1.819 + 1249TIP3 H243786 -3.220 -1.115 1.921 + 1249TIP3 OH243787 -3.662 -1.353 2.588 + 1249TIP3 H143788 -3.726 -1.289 2.623 + 1249TIP3 H243789 -3.594 -1.294 2.554 + 1249TIP3 OH243790 -2.832 -2.110 2.187 + 1249TIP3 H143791 -2.869 -2.171 2.252 + 1249TIP3 H243792 -2.778 -2.052 2.243 + 1249TIP3 OH243793 -3.958 -1.963 2.360 + 1249TIP3 H143794 -3.893 -1.908 2.408 + 1249TIP3 H243795 -3.900 -2.001 2.290 + 1249TIP3 OH243796 -4.184 -1.237 1.746 + 1249TIP3 H143797 -4.263 -1.215 1.692 + 1249TIP3 H243798 -4.189 -1.171 1.818 + 1249TIP3 OH243799 -2.848 -1.013 2.346 + 1249TIP3 H143800 -2.933 -1.037 2.391 + 1249TIP3 H243801 -2.805 -0.962 2.416 + 1249TIP3 OH243802 -2.818 -2.194 2.572 + 1249TIP3 H143803 -2.895 -2.157 2.525 + 1249TIP3 H243804 -2.746 -2.176 2.510 + 1249TIP3 OH243805 -3.505 -2.424 2.277 + 1249TIP3 H143806 -3.528 -2.518 2.271 + 1249TIP3 H243807 -3.588 -2.386 2.314 + 1250TIP3 OH243808 -2.882 -1.062 1.967 + 1250TIP3 H143809 -2.907 -1.097 1.879 + 1250TIP3 H243810 -2.897 -1.143 2.020 + 1250TIP3 OH243811 -2.725 -1.215 2.786 + 1250TIP3 H143812 -2.731 -1.284 2.716 + 1250TIP3 H243813 -2.698 -1.136 2.737 + 1250TIP3 OH243814 -3.295 -1.527 1.756 + 1250TIP3 H143815 -3.361 -1.470 1.714 + 1250TIP3 H243816 -3.223 -1.525 1.690 + 1250TIP3 OH243817 -3.267 -1.712 1.465 + 1250TIP3 H143818 -3.195 -1.678 1.521 + 1250TIP3 H243819 -3.217 -1.767 1.404 + 1250TIP3 OH243820 -2.546 -1.603 2.581 + 1250TIP3 H143821 -2.617 -1.536 2.590 + 1250TIP3 H243822 -2.498 -1.569 2.503 + 1250TIP3 OH243823 -2.944 -1.528 1.862 + 1250TIP3 H143824 -3.013 -1.509 1.929 + 1250TIP3 H243825 -2.884 -1.586 1.912 + 1250TIP3 OH243826 -2.961 -1.674 2.746 + 1250TIP3 H143827 -2.956 -1.593 2.798 + 1250TIP3 H243828 -3.028 -1.647 2.682 + 1250TIP3 OH243829 -3.780 -1.450 2.039 + 1250TIP3 H143830 -3.815 -1.495 1.959 + 1250TIP3 H243831 -3.718 -1.516 2.075 + 1250TIP3 OH243832 -3.645 -1.110 2.308 + 1250TIP3 H143833 -3.655 -1.157 2.224 + 1250TIP3 H243834 -3.571 -1.159 2.350 + 1250TIP3 OH243835 -3.724 -1.561 2.397 + 1250TIP3 H143836 -3.664 -1.557 2.320 + 1250TIP3 H243837 -3.689 -1.490 2.455 + 1251TIP3 OH243838 -3.110 -1.023 2.448 + 1251TIP3 H143839 -3.133 -0.954 2.514 + 1251TIP3 H243840 -3.150 -1.102 2.488 + 1251TIP3 OH243841 -3.049 -1.577 1.603 + 1251TIP3 H143842 -2.999 -1.556 1.685 + 1251TIP3 H243843 -2.994 -1.533 1.534 + 1251TIP3 OH243844 -3.956 -1.516 2.794 + 1251TIP3 H143845 -3.943 -1.445 2.860 + 1251TIP3 H243846 -4.051 -1.506 2.778 + 1251TIP3 OH243847 -3.274 -0.909 1.964 + 1251TIP3 H143848 -3.273 -0.881 2.056 + 1251TIP3 H243849 -3.348 -0.856 1.929 + 1251TIP3 OH243850 -2.705 -2.411 1.559 + 1251TIP3 H143851 -2.791 -2.399 1.602 + 1251TIP3 H243852 -2.668 -2.321 1.561 + 1251TIP3 OH243853 -3.894 -1.578 1.796 + 1251TIP3 H143854 -3.914 -1.502 1.739 + 1251TIP3 H243855 -3.961 -1.643 1.767 + 1251TIP3 OH243856 -4.273 -1.291 2.651 + 1251TIP3 H143857 -4.291 -1.325 2.562 + 1251TIP3 H243858 -4.296 -1.367 2.707 + 1251TIP3 OH243859 -4.281 -1.015 2.344 + 1251TIP3 H143860 -4.198 -1.059 2.367 + 1251TIP3 H243861 -4.300 -0.968 2.426 + 1251TIP3 OH243862 -2.444 -0.956 2.936 + 1251TIP3 H143863 -2.453 -1.052 2.922 + 1251TIP3 H243864 -2.534 -0.933 2.967 + 1251TIP3 OH243865 -3.391 -1.047 2.821 + 1251TIP3 H143866 -3.383 -0.953 2.845 + 1251TIP3 H243867 -3.488 -1.044 2.801 + 1252TIP3 OH243868 -3.364 -0.641 1.819 + 1252TIP3 H143869 -3.347 -0.650 1.725 + 1252TIP3 H243870 -3.334 -0.552 1.841 + 1252TIP3 OH243871 -3.976 -0.740 1.980 + 1252TIP3 H143872 -3.951 -0.783 2.064 + 1252TIP3 H243873 -4.055 -0.792 1.958 + 1252TIP3 OH243874 -3.007 -0.741 1.506 + 1252TIP3 H143875 -2.969 -0.818 1.461 + 1252TIP3 H243876 -3.002 -0.770 1.599 + 1252TIP3 OH243877 -3.071 -0.758 1.812 + 1252TIP3 H143878 -3.167 -0.759 1.826 + 1252TIP3 H243879 -3.049 -0.841 1.854 + 1252TIP3 OH243880 -2.765 -1.820 2.978 + 1252TIP3 H143881 -2.815 -1.782 2.905 + 1252TIP3 H243882 -2.759 -1.914 2.950 + 1252TIP3 OH243883 -4.034 -1.172 2.748 + 1252TIP3 H143884 -4.005 -1.191 2.839 + 1252TIP3 H243885 -4.122 -1.211 2.740 + 1252TIP3 OH243886 -3.748 -2.309 2.368 + 1252TIP3 H143887 -3.830 -2.317 2.317 + 1252TIP3 H243888 -3.772 -2.235 2.427 + 1252TIP3 OH243889 -3.311 -2.349 2.736 + 1252TIP3 H143890 -3.258 -2.405 2.796 + 1252TIP3 H243891 -3.401 -2.385 2.744 + 1252TIP3 OH243892 -2.994 -1.971 2.784 + 1252TIP3 H143893 -3.055 -1.987 2.858 + 1252TIP3 H243894 -3.002 -1.875 2.769 + 1252TIP3 OH243895 -2.880 -1.479 1.398 + 1252TIP3 H143896 -2.897 -1.498 1.304 + 1252TIP3 H243897 -2.788 -1.451 1.396 + 1253TIP3 OH243898 -3.333 -2.097 1.459 + 1253TIP3 H143899 -3.379 -2.115 1.542 + 1253TIP3 H243900 -3.370 -2.167 1.402 + 1253TIP3 OH243901 -3.763 -1.827 2.508 + 1253TIP3 H143902 -3.821 -1.817 2.585 + 1253TIP3 H243903 -3.754 -1.735 2.476 + 1253TIP3 OH243904 -3.769 -1.824 1.997 + 1253TIP3 H143905 -3.864 -1.828 1.977 + 1253TIP3 H243906 -3.732 -1.840 1.908 + 1253TIP3 OH243907 -3.207 -1.765 1.876 + 1253TIP3 H143908 -3.248 -1.683 1.839 + 1253TIP3 H243909 -3.138 -1.782 1.810 + 1253TIP3 OH243910 -3.288 -1.746 3.011 + 1253TIP3 H143911 -3.338 -1.823 3.047 + 1253TIP3 H243912 -3.200 -1.759 3.050 + 1253TIP3 OH243913 -3.122 -1.826 2.152 + 1253TIP3 H143914 -3.151 -1.770 2.078 + 1253TIP3 H243915 -3.098 -1.907 2.103 + 1253TIP3 OH243916 -4.023 -1.816 2.690 + 1253TIP3 H143917 -4.002 -1.771 2.773 + 1253TIP3 H243918 -4.050 -1.903 2.721 + 1253TIP3 OH243919 -3.688 -2.047 1.355 + 1253TIP3 H143920 -3.726 -2.092 1.433 + 1253TIP3 H243921 -3.764 -2.041 1.296 + 1253TIP3 OH243922 -4.322 -2.054 2.052 + 1253TIP3 H143923 -4.311 -2.073 2.146 + 1253TIP3 H243924 -4.274 -2.126 2.011 + 1253TIP3 OH243925 -4.210 -2.013 1.639 + 1253TIP3 H143926 -4.147 -1.984 1.570 + 1253TIP3 H243927 -4.289 -1.968 1.611 + 1254TIP3 OH243928 -3.213 -1.657 2.601 + 1254TIP3 H143929 -3.170 -1.729 2.550 + 1254TIP3 H243930 -3.253 -1.707 2.674 + 1254TIP3 OH243931 -3.490 -2.062 2.101 + 1254TIP3 H143932 -3.585 -2.069 2.124 + 1254TIP3 H243933 -3.448 -2.083 2.186 + 1254TIP3 OH243934 -4.042 -1.937 1.962 + 1254TIP3 H143935 -4.115 -1.924 1.900 + 1254TIP3 H243936 -4.001 -2.019 1.930 + 1254TIP3 OH243937 -3.672 -1.905 1.737 + 1254TIP3 H143938 -3.575 -1.901 1.742 + 1254TIP3 H243939 -3.694 -1.846 1.663 + 1254TIP3 OH243940 -3.052 -2.149 2.403 + 1254TIP3 H143941 -3.117 -2.148 2.476 + 1254TIP3 H243942 -3.107 -2.183 2.331 + 1254TIP3 OH243943 -3.826 -1.778 1.513 + 1254TIP3 H143944 -3.883 -1.814 1.443 + 1254TIP3 H243945 -3.744 -1.761 1.463 + 1254TIP3 OH243946 -2.751 -0.572 3.068 + 1254TIP3 H143947 -2.728 -0.526 2.985 + 1254TIP3 H243948 -2.681 -0.540 3.127 + 1254TIP3 OH243949 -3.953 -1.322 3.014 + 1254TIP3 H143950 -3.892 -1.303 3.088 + 1254TIP3 H243951 -4.038 -1.298 3.056 + 1254TIP3 OH243952 -3.389 -1.808 2.283 + 1254TIP3 H143953 -3.316 -1.851 2.236 + 1254TIP3 H243954 -3.405 -1.871 2.357 + 1254TIP3 OH243955 -3.874 -2.171 1.908 + 1254TIP3 H143956 -3.915 -2.258 1.911 + 1254TIP3 H243957 -3.792 -2.191 1.859 + 1255TIP3 OH243958 -3.493 -1.964 2.506 + 1255TIP3 H143959 -3.569 -1.904 2.507 + 1255TIP3 H243960 -3.443 -1.936 2.586 + 1255TIP3 OH243961 -3.481 -1.319 1.696 + 1255TIP3 H143962 -3.555 -1.373 1.661 + 1255TIP3 H243963 -3.497 -1.320 1.793 + 1255TIP3 OH243964 -2.756 -1.403 2.571 + 1255TIP3 H143965 -2.705 -1.357 2.501 + 1255TIP3 H243966 -2.840 -1.423 2.526 + 1255TIP3 OH243967 -3.063 -2.046 1.481 + 1255TIP3 H143968 -3.161 -2.042 1.470 + 1255TIP3 H243969 -3.043 -1.966 1.533 + 1255TIP3 OH243970 -3.310 -1.316 2.826 + 1255TIP3 H143971 -3.343 -1.349 2.911 + 1255TIP3 H243972 -3.345 -1.225 2.826 + 1255TIP3 OH243973 -2.994 -1.853 1.683 + 1255TIP3 H143974 -2.905 -1.874 1.718 + 1255TIP3 H243975 -2.978 -1.772 1.632 + 1255TIP3 OH243976 -3.983 -1.400 2.263 + 1255TIP3 H143977 -3.910 -1.400 2.199 + 1255TIP3 H243978 -3.960 -1.475 2.320 + 1255TIP3 OH243979 -3.236 -1.188 1.592 + 1255TIP3 H143980 -3.263 -1.103 1.629 + 1255TIP3 H243981 -3.311 -1.245 1.615 + 1255TIP3 OH243982 -4.244 -1.540 2.830 + 1255TIP3 H143983 -4.232 -1.603 2.904 + 1255TIP3 H243984 -4.290 -1.595 2.763 + 1255TIP3 OH243985 -3.540 -1.604 3.005 + 1255TIP3 H143986 -3.581 -1.631 2.921 + 1255TIP3 H243987 -3.448 -1.631 2.992 + 1256TIP3 OH243988 -3.092 -1.056 2.775 + 1256TIP3 H143989 -3.190 -1.057 2.770 + 1256TIP3 H243990 -3.078 -1.038 2.869 + 1256TIP3 OH243991 -2.539 -1.851 1.653 + 1256TIP3 H143992 -2.588 -1.877 1.573 + 1256TIP3 H243993 -2.524 -1.757 1.630 + 1256TIP3 OH243994 -2.490 -1.254 2.934 + 1256TIP3 H143995 -2.584 -1.233 2.915 + 1256TIP3 H243996 -2.457 -1.273 2.844 + 1256TIP3 OH243997 -2.695 -1.002 1.666 + 1256TIP3 H143998 -2.723 -1.088 1.699 + 1256TIP3 H243999 -2.661 -1.024 1.579 + 1256TIP3 OH244000 -2.987 -1.463 2.399 + 1256TIP3 H144001 -3.080 -1.478 2.377 + 1256TIP3 H244002 -2.945 -1.538 2.351 + 1256TIP3 OH244003 -3.726 -1.059 1.993 + 1256TIP3 H144004 -3.688 -0.970 1.997 + 1256TIP3 H244005 -3.820 -1.039 1.985 + 1256TIP3 OH244006 -4.156 -1.559 1.475 + 1256TIP3 H144007 -4.081 -1.508 1.512 + 1256TIP3 H244008 -4.228 -1.498 1.492 + 1256TIP3 OH244009 -3.542 -1.285 1.971 + 1256TIP3 H144010 -3.580 -1.196 1.980 + 1256TIP3 H244011 -3.613 -1.339 2.009 + 1256TIP3 OH244012 -3.680 -0.765 1.923 + 1256TIP3 H144013 -3.776 -0.756 1.936 + 1256TIP3 H244014 -3.648 -0.677 1.951 + 1256TIP3 OH244015 -3.184 -1.285 2.558 + 1256TIP3 H144016 -3.217 -1.308 2.647 + 1256TIP3 H244017 -3.114 -1.350 2.545 + 1257TIP3 OH244018 -2.976 -1.130 1.454 + 1257TIP3 H144019 -2.923 -1.179 1.518 + 1257TIP3 H244020 -3.064 -1.162 1.477 + 1257TIP3 OH244021 -2.889 -0.833 2.795 + 1257TIP3 H144022 -2.970 -0.876 2.760 + 1257TIP3 H244023 -2.882 -0.753 2.740 + 1257TIP3 OH244024 -4.100 -2.084 2.771 + 1257TIP3 H144025 -4.185 -2.049 2.741 + 1257TIP3 H244026 -4.122 -2.171 2.810 + 1257TIP3 OH244027 -2.866 -1.272 1.704 + 1257TIP3 H144028 -2.904 -1.349 1.749 + 1257TIP3 H244029 -2.772 -1.296 1.703 + 1257TIP3 OH244030 -4.127 -0.922 2.625 + 1257TIP3 H144031 -4.090 -1.012 2.628 + 1257TIP3 H244032 -4.075 -0.883 2.696 + 1257TIP3 OH244033 -3.545 -1.049 1.311 + 1257TIP3 H144034 -3.516 -1.123 1.255 + 1257TIP3 H244035 -3.588 -1.096 1.384 + 1257TIP3 OH244036 -3.664 -1.100 1.582 + 1257TIP3 H144037 -3.613 -1.155 1.643 + 1257TIP3 H244038 -3.648 -1.010 1.615 + 1257TIP3 OH244039 -3.988 -1.359 1.613 + 1257TIP3 H144040 -4.056 -1.317 1.671 + 1257TIP3 H244041 -3.936 -1.280 1.590 + 1257TIP3 OH244042 -3.211 -2.107 2.622 + 1257TIP3 H144043 -3.148 -2.081 2.691 + 1257TIP3 H244044 -3.260 -2.181 2.664 + 1257TIP3 OH244045 -3.150 -2.162 1.747 + 1257TIP3 H144046 -3.127 -2.114 1.666 + 1257TIP3 H244047 -3.100 -2.113 1.814 + 1258TIP3 OH244048 -3.359 -0.918 1.648 + 1258TIP3 H144049 -3.452 -0.889 1.652 + 1258TIP3 H244050 -3.336 -0.899 1.556 + 1258TIP3 OH244051 -3.407 -1.965 1.842 + 1258TIP3 H144052 -3.330 -1.906 1.854 + 1258TIP3 H244053 -3.433 -1.981 1.934 + 1258TIP3 OH244054 -3.367 -1.866 2.757 + 1258TIP3 H144055 -3.359 -1.818 2.842 + 1258TIP3 H244056 -3.317 -1.947 2.776 + 1258TIP3 OH244057 -3.346 -2.263 1.936 + 1258TIP3 H144058 -3.365 -2.193 2.001 + 1258TIP3 H244059 -3.273 -2.222 1.885 + 1258TIP3 OH244060 -3.639 -0.829 1.643 + 1258TIP3 H144061 -3.657 -0.751 1.589 + 1258TIP3 H244062 -3.657 -0.796 1.734 + 1258TIP3 OH244063 -3.775 -2.163 1.595 + 1258TIP3 H144064 -3.764 -2.082 1.648 + 1258TIP3 H244065 -3.693 -2.211 1.619 + 1258TIP3 OH244066 -2.741 -2.072 2.847 + 1258TIP3 H144067 -2.837 -2.059 2.830 + 1258TIP3 H244068 -2.714 -2.096 2.757 + 1258TIP3 OH244069 -2.890 -1.687 2.251 + 1258TIP3 H144070 -2.971 -1.733 2.221 + 1258TIP3 H244071 -2.841 -1.760 2.295 + 1258TIP3 OH244072 -3.933 -1.073 1.495 + 1258TIP3 H144073 -3.856 -1.031 1.538 + 1258TIP3 H244074 -3.887 -1.128 1.430 + 1258TIP3 OH244075 -4.115 -1.860 1.417 + 1258TIP3 H144076 -4.107 -1.765 1.433 + 1258TIP3 H244077 -4.193 -1.868 1.361 + 1259TIP3 OH244078 -4.026 -2.361 2.283 + 1259TIP3 H144079 -4.058 -2.364 2.191 + 1259TIP3 H244080 -4.068 -2.442 2.321 + 1259TIP3 OH244081 -4.137 -0.998 1.910 + 1259TIP3 H144082 -4.226 -0.960 1.918 + 1259TIP3 H244083 -4.104 -0.955 1.830 + 1259TIP3 OH244084 -4.215 -0.720 3.034 + 1259TIP3 H144085 -4.150 -0.720 3.108 + 1259TIP3 H244086 -4.214 -0.815 3.016 + 1259TIP3 OH244087 -3.737 -0.814 3.185 + 1259TIP3 H144088 -3.667 -0.874 3.213 + 1259TIP3 H244089 -3.749 -0.842 3.093 + 1259TIP3 OH244090 -3.322 -0.884 1.370 + 1259TIP3 H144091 -3.395 -0.945 1.345 + 1259TIP3 H244092 -3.247 -0.928 1.326 + 1259TIP3 OH244093 -3.077 -0.981 3.062 + 1259TIP3 H144094 -3.121 -1.059 3.100 + 1259TIP3 H244095 -3.011 -0.959 3.131 + 1259TIP3 OH244096 -4.202 -1.311 3.099 + 1259TIP3 H144097 -4.188 -1.399 3.061 + 1259TIP3 H244098 -4.289 -1.287 3.065 + 1259TIP3 OH244099 -3.781 -1.307 1.342 + 1259TIP3 H144100 -3.760 -1.367 1.416 + 1259TIP3 H244101 -3.697 -1.309 1.293 + 1259TIP3 OH244102 -3.546 -1.322 3.057 + 1259TIP3 H144103 -3.583 -1.299 2.971 + 1259TIP3 H244104 -3.535 -1.419 3.050 + 1259TIP3 OH244105 -3.260 -1.174 1.304 + 1259TIP3 H144106 -3.258 -1.182 1.401 + 1259TIP3 H244107 -3.261 -1.269 1.279 + 1260TIP3 OH244108 -3.001 -1.369 2.812 + 1260TIP3 H144109 -2.925 -1.311 2.798 + 1260TIP3 H244110 -3.075 -1.306 2.813 + 1260TIP3 OH244111 -4.140 -1.649 3.073 + 1260TIP3 H144112 -4.056 -1.698 3.061 + 1260TIP3 H244113 -4.126 -1.611 3.161 + 1260TIP3 OH244114 -3.673 -1.498 1.576 + 1260TIP3 H144115 -3.731 -1.552 1.631 + 1260TIP3 H244116 -3.641 -1.564 1.511 + 1260TIP3 OH244117 -3.746 -1.721 2.805 + 1260TIP3 H144118 -3.807 -1.646 2.818 + 1260TIP3 H244119 -3.684 -1.684 2.739 + 1260TIP3 OH244120 -3.576 -1.696 1.402 + 1260TIP3 H144121 -3.578 -1.689 1.304 + 1260TIP3 H244122 -3.480 -1.702 1.418 + 1260TIP3 OH244123 -3.222 -1.453 3.156 + 1260TIP3 H144124 -3.132 -1.469 3.126 + 1260TIP3 H244125 -3.245 -1.538 3.195 + 1260TIP3 OH244126 -3.691 -1.992 2.915 + 1260TIP3 H144127 -3.684 -2.058 2.843 + 1260TIP3 H244128 -3.711 -1.911 2.865 + 1260TIP3 OH244129 -3.657 -2.146 2.661 + 1260TIP3 H144130 -3.605 -2.094 2.596 + 1260TIP3 H244131 -3.748 -2.143 2.624 + 1260TIP3 OH244132 -3.512 -1.589 2.684 + 1260TIP3 H144133 -3.424 -1.594 2.643 + 1260TIP3 H244134 -3.540 -1.498 2.663 + 1260TIP3 OH244135 -3.045 -1.809 3.181 + 1260TIP3 H144136 -3.020 -1.903 3.188 + 1260TIP3 H244137 -2.957 -1.768 3.172 + 1261TIP3 OH244138 -2.948 -1.530 3.027 + 1261TIP3 H144139 -2.982 -1.469 2.959 + 1261TIP3 H244140 -2.858 -1.546 2.991 + 1261TIP3 OH244141 -3.876 -1.806 3.096 + 1261TIP3 H144142 -3.930 -1.887 3.093 + 1261TIP3 H244143 -3.797 -1.831 3.046 + 1261TIP3 OH244144 -3.586 -2.414 2.697 + 1261TIP3 H144145 -3.603 -2.319 2.678 + 1261TIP3 H244146 -3.655 -2.456 2.641 + 1261TIP3 OH244147 -3.459 -1.965 3.073 + 1261TIP3 H144148 -3.500 -1.978 3.161 + 1261TIP3 H244149 -3.539 -1.980 3.017 + 1261TIP3 OH244150 -3.204 -2.051 2.960 + 1261TIP3 H144151 -3.292 -2.046 3.002 + 1261TIP3 H244152 -3.157 -2.113 3.019 + 1261TIP3 OH244153 -3.026 -2.200 3.132 + 1261TIP3 H144154 -3.031 -2.296 3.146 + 1261TIP3 H244155 -3.037 -2.163 3.221 + 1261TIP3 OH244156 -4.014 -2.059 3.077 + 1261TIP3 H144157 -4.017 -2.131 3.013 + 1261TIP3 H244158 -4.033 -2.105 3.161 + 1261TIP3 OH244159 -3.593 -2.467 2.980 + 1261TIP3 H144160 -3.533 -2.543 2.976 + 1261TIP3 H244161 -3.603 -2.447 2.885 + 1261TIP3 OH244162 -3.514 -2.315 3.208 + 1261TIP3 H144163 -3.533 -2.355 3.121 + 1261TIP3 H244164 -3.570 -2.235 3.204 + 1261TIP3 OH244165 -3.596 -0.557 1.518 + 1261TIP3 H144166 -3.503 -0.577 1.507 + 1261TIP3 H244167 -3.621 -0.532 1.428 + 1262TIP3 OH244168 -4.201 -1.087 1.420 + 1262TIP3 H144169 -4.121 -1.089 1.476 + 1262TIP3 H244170 -4.213 -1.179 1.396 + 1262TIP3 OH244171 -4.274 -0.807 2.132 + 1262TIP3 H144172 -4.276 -0.896 2.173 + 1262TIP3 H244173 -4.241 -0.756 2.208 + 1262TIP3 OH244174 -2.535 -0.694 2.428 + 1262TIP3 H144175 -2.518 -0.700 2.523 + 1262TIP3 H244176 -2.448 -0.670 2.394 + 1262TIP3 OH244177 -2.525 -0.740 2.726 + 1262TIP3 H144178 -2.577 -0.813 2.688 + 1262TIP3 H244179 -2.470 -0.789 2.789 + 1262TIP3 OH244180 -2.726 -1.199 3.153 + 1262TIP3 H144181 -2.814 -1.192 3.193 + 1262TIP3 H244182 -2.681 -1.119 3.186 + 1262TIP3 OH244183 -2.592 -1.317 1.726 + 1262TIP3 H144184 -2.503 -1.278 1.737 + 1262TIP3 H244185 -2.591 -1.383 1.798 + 1262TIP3 OH244186 -2.543 -1.509 1.928 + 1262TIP3 H144187 -2.606 -1.572 1.969 + 1262TIP3 H244188 -2.471 -1.504 1.994 + 1262TIP3 OH244189 -2.577 -1.255 2.416 + 1262TIP3 H144190 -2.515 -1.312 2.368 + 1262TIP3 H244191 -2.542 -1.166 2.394 + 1262TIP3 OH244192 -2.698 -0.961 2.637 + 1262TIP3 H144193 -2.766 -0.926 2.698 + 1262TIP3 H244194 -2.746 -1.027 2.586 + 1262TIP3 OH244195 -2.528 -1.553 1.556 + 1262TIP3 H144196 -2.564 -1.519 1.474 + 1262TIP3 H244197 -2.539 -1.478 1.616 + 1263TIP3 OH244198 -2.690 -1.807 1.399 + 1263TIP3 H144199 -2.658 -1.755 1.324 + 1263TIP3 H244200 -2.708 -1.894 1.357 + 1263TIP3 OH244201 -2.749 -1.699 2.006 + 1263TIP3 H144202 -2.752 -1.795 1.989 + 1263TIP3 H244203 -2.786 -1.693 2.096 + 1263TIP3 OH244204 -4.257 -1.451 2.405 + 1263TIP3 H144205 -4.219 -1.425 2.319 + 1263TIP3 H244206 -4.178 -1.489 2.448 + 1263TIP3 OH244207 -2.686 -1.506 2.920 + 1263TIP3 H144208 -2.614 -1.570 2.937 + 1263TIP3 H244209 -2.636 -1.424 2.905 + 1263TIP3 OH244210 -2.532 -1.697 3.043 + 1263TIP3 H144211 -2.610 -1.752 3.020 + 1263TIP3 H244212 -2.460 -1.763 3.040 + 1263TIP3 OH244213 -2.742 -2.077 1.336 + 1263TIP3 H144214 -2.680 -2.130 1.388 + 1263TIP3 H244215 -2.818 -2.135 1.322 + 1263TIP3 OH244216 -2.758 -1.950 1.825 + 1263TIP3 H144217 -2.733 -2.045 1.828 + 1263TIP3 H244218 -2.679 -1.912 1.781 + 1263TIP3 OH244219 -2.737 -1.887 2.368 + 1263TIP3 H144220 -2.639 -1.879 2.364 + 1263TIP3 H244221 -2.750 -1.888 2.464 + 1263TIP3 OH244222 -2.720 -1.820 2.651 + 1263TIP3 H144223 -2.806 -1.781 2.676 + 1263TIP3 H244224 -2.667 -1.741 2.629 + 1263TIP3 OH244225 -4.286 -1.959 3.007 + 1263TIP3 H144226 -4.196 -1.995 3.014 + 1263TIP3 H244227 -4.343 -2.032 3.035 + 1264TIP3 OH244228 -2.468 -2.403 3.177 + 1264TIP3 H144229 -2.422 -2.473 3.126 + 1264TIP3 H244230 -2.460 -2.326 3.118 + 1264TIP3 OH244231 -2.713 -2.228 1.823 + 1264TIP3 H144232 -2.701 -2.262 1.913 + 1264TIP3 H244233 -2.792 -2.279 1.794 + 1264TIP3 OH244234 -4.195 -2.096 2.328 + 1264TIP3 H144235 -4.164 -2.188 2.326 + 1264TIP3 H244236 -4.112 -2.047 2.343 + 1264TIP3 OH244237 -4.352 -1.835 2.396 + 1264TIP3 H144238 -4.298 -1.896 2.342 + 1264TIP3 H244239 -4.306 -1.751 2.382 + 1264TIP3 OH244240 -2.526 -2.197 3.002 + 1264TIP3 H144241 -2.615 -2.157 3.007 + 1264TIP3 H244242 -2.538 -2.254 2.924 + 1264TIP3 OH244243 -2.515 -2.184 1.493 + 1264TIP3 H144244 -2.484 -2.260 1.441 + 1264TIP3 H244245 -2.437 -2.126 1.490 + 1264TIP3 OH244246 -4.313 -2.229 1.763 + 1264TIP3 H144247 -4.398 -2.199 1.727 + 1264TIP3 H244248 -4.254 -2.158 1.729 + 1264TIP3 OH244249 -4.292 -2.333 2.598 + 1264TIP3 H144250 -4.359 -2.340 2.670 + 1264TIP3 H244251 -4.335 -2.280 2.530 + 1264TIP3 OH244252 -4.104 -0.983 3.059 + 1264TIP3 H144253 -4.161 -1.034 3.002 + 1264TIP3 H244254 -4.121 -1.023 3.147 + 1264TIP3 OH244255 -3.352 -0.769 2.962 + 1264TIP3 H144256 -3.340 -0.803 3.052 + 1264TIP3 H244257 -3.264 -0.738 2.937 + 1265TIP3 OH244258 -3.114 -0.632 2.877 + 1265TIP3 H144259 -3.052 -0.705 2.864 + 1265TIP3 H244260 -3.092 -0.603 2.967 + 1265TIP3 OH244261 -2.641 -2.377 2.803 + 1265TIP3 H144262 -2.720 -2.358 2.750 + 1265TIP3 H244263 -2.617 -2.466 2.770 + 1265TIP3 OH244264 -4.072 -0.601 2.682 + 1265TIP3 H144265 -4.142 -0.551 2.637 + 1265TIP3 H244266 -4.106 -0.608 2.772 + 1265TIP3 OH244267 -3.819 -0.668 2.510 + 1265TIP3 H144268 -3.883 -0.670 2.583 + 1265TIP3 H244269 -3.816 -0.575 2.486 + 1265TIP3 OH244270 -3.323 -0.640 2.486 + 1265TIP3 H144271 -3.391 -0.608 2.424 + 1265TIP3 H244272 -3.347 -0.592 2.567 + 1265TIP3 OH244273 -3.103 -0.768 2.587 + 1265TIP3 H144274 -3.191 -0.736 2.559 + 1265TIP3 H244275 -3.055 -0.684 2.593 + 1265TIP3 OH244276 -2.838 -0.612 2.588 + 1265TIP3 H144277 -2.853 -0.516 2.581 + 1265TIP3 H244278 -2.805 -0.632 2.499 + 1265TIP3 OH244279 -4.125 -0.733 2.380 + 1265TIP3 H144280 -4.134 -0.773 2.469 + 1265TIP3 H244281 -4.044 -0.777 2.349 + 1265TIP3 OH244282 -3.903 -0.866 2.228 + 1265TIP3 H144283 -3.923 -0.955 2.264 + 1265TIP3 H244284 -3.825 -0.842 2.281 + 1265TIP3 OH244285 -3.612 -0.816 2.331 + 1265TIP3 H144286 -3.613 -0.912 2.315 + 1265TIP3 H244287 -3.640 -0.814 2.425 + 1266TIP3 OH244288 -3.298 -2.227 2.249 + 1266TIP3 H144289 -3.366 -2.295 2.262 + 1266TIP3 H244290 -3.237 -2.272 2.188 + 1266TIP3 OH244291 -2.802 -2.422 2.296 + 1266TIP3 H144292 -2.725 -2.381 2.253 + 1266TIP3 H244293 -2.875 -2.396 2.238 + 1266TIP3 OH244294 -2.594 -2.315 2.082 + 1266TIP3 H144295 -2.523 -2.357 2.030 + 1266TIP3 H244296 -2.561 -2.223 2.089 + 1266TIP3 OH244297 -4.108 -2.369 2.002 + 1266TIP3 H144298 -4.180 -2.399 1.945 + 1266TIP3 H244299 -4.045 -2.443 1.992 + 1266TIP3 OH244300 -4.183 -2.408 1.582 + 1266TIP3 H144301 -4.130 -2.343 1.533 + 1266TIP3 H244302 -4.232 -2.351 1.644 + 1266TIP3 OH244303 -3.616 -2.372 1.993 + 1266TIP3 H144304 -3.525 -2.343 1.976 + 1266TIP3 H244305 -3.615 -2.383 2.089 + 1266TIP3 OH244306 -3.056 -2.368 2.132 + 1266TIP3 H144307 -3.029 -2.384 2.041 + 1266TIP3 H244308 -3.093 -2.455 2.157 + 1266TIP3 OH244309 -2.945 -2.368 1.734 + 1266TIP3 H144310 -3.027 -2.319 1.715 + 1266TIP3 H244311 -2.979 -2.459 1.743 + 1266TIP3 OH244312 -4.191 -0.805 1.689 + 1266TIP3 H144313 -4.248 -0.824 1.613 + 1266TIP3 H244314 -4.183 -0.709 1.684 + 1266TIP3 OH244315 -4.005 -2.220 1.436 + 1266TIP3 H144316 -3.948 -2.279 1.384 + 1266TIP3 H244317 -3.943 -2.191 1.506 + 1267TIP3 OH244318 -3.501 -2.204 1.698 + 1267TIP3 H144319 -3.464 -2.264 1.765 + 1267TIP3 H244320 -3.476 -2.118 1.736 + 1267TIP3 OH244321 -3.264 -0.606 1.510 + 1267TIP3 H144322 -3.172 -0.637 1.502 + 1267TIP3 H244323 -3.306 -0.679 1.461 + 1267TIP3 OH244324 -2.673 -0.716 1.804 + 1267TIP3 H144325 -2.681 -0.799 1.755 + 1267TIP3 H244326 -2.635 -0.656 1.739 + 1267TIP3 OH244327 -4.081 -2.329 2.954 + 1267TIP3 H144328 -4.126 -2.405 2.994 + 1267TIP3 H244329 -3.989 -2.343 2.984 + 1267TIP3 OH244330 -3.847 -2.392 3.130 + 1267TIP3 H144331 -3.764 -2.426 3.091 + 1267TIP3 H244332 -3.886 -2.471 3.170 + 1267TIP3 OH244333 -4.012 -0.707 1.385 + 1267TIP3 H144334 -4.039 -0.689 1.477 + 1267TIP3 H244335 -3.943 -0.775 1.397 + 1267TIP3 OH244336 -3.028 -2.478 3.144 + 1267TIP3 H144337 -3.030 -2.521 3.231 + 1267TIP3 H244338 -2.933 -2.485 3.121 + 1267TIP3 OH244339 -2.694 -0.849 3.015 + 1267TIP3 H144340 -2.770 -0.868 2.957 + 1267TIP3 H244341 -2.712 -0.755 3.037 + 1267TIP3 OH244342 -1.390 -1.543 2.322 + 1267TIP3 H144343 -1.384 -1.581 2.411 + 1267TIP3 H244344 -1.423 -1.620 2.272 + 1267TIP3 OH244345 -2.145 -1.577 2.505 + 1267TIP3 H144346 -2.143 -1.653 2.566 + 1267TIP3 H244347 -2.071 -1.525 2.539 + 1268TIP3 OH244348 -1.058 -1.254 2.163 + 1268TIP3 H144349 -1.046 -1.331 2.220 + 1268TIP3 H244350 -0.989 -1.195 2.193 + 1268TIP3 OH244351 -2.079 -1.117 2.357 + 1268TIP3 H144352 -2.098 -1.210 2.329 + 1268TIP3 H244353 -1.984 -1.125 2.373 + 1268TIP3 OH244354 -2.380 -1.775 1.897 + 1268TIP3 H144355 -2.418 -1.686 1.900 + 1268TIP3 H244356 -2.446 -1.824 1.846 + 1268TIP3 OH244357 -2.296 -1.528 2.080 + 1268TIP3 H144358 -2.280 -1.613 2.125 + 1268TIP3 H244359 -2.215 -1.518 2.029 + 1268TIP3 OH244360 -1.334 -0.771 2.220 + 1268TIP3 H144361 -1.259 -0.830 2.199 + 1268TIP3 H244362 -1.346 -0.787 2.315 + 1268TIP3 OH244363 -1.540 -1.288 2.395 + 1268TIP3 H144364 -1.507 -1.356 2.335 + 1268TIP3 H244365 -1.458 -1.270 2.445 + 1268TIP3 OH244366 -0.656 -2.133 2.443 + 1268TIP3 H144367 -0.636 -2.071 2.515 + 1268TIP3 H244368 -0.598 -2.097 2.374 + 1268TIP3 OH244369 -1.219 -1.854 2.443 + 1268TIP3 H144370 -1.194 -1.948 2.446 + 1268TIP3 H244371 -1.213 -1.835 2.348 + 1268TIP3 OH244372 -1.915 -2.051 2.153 + 1268TIP3 H144373 -1.899 -1.966 2.107 + 1268TIP3 H244374 -1.949 -2.103 2.078 + 1268TIP3 OH244375 -1.126 -2.029 1.982 + 1268TIP3 H144376 -1.069 -2.073 2.049 + 1268TIP3 H244377 -1.058 -1.987 1.927 + 1269TIP3 OH244378 -2.245 -1.779 2.203 + 1269TIP3 H144379 -2.181 -1.827 2.258 + 1269TIP3 H244380 -2.237 -1.826 2.119 + 1269TIP3 OH244381 -1.701 -1.639 2.144 + 1269TIP3 H144382 -1.636 -1.697 2.189 + 1269TIP3 H244383 -1.755 -1.705 2.096 + 1269TIP3 OH244384 -0.602 -1.998 2.705 + 1269TIP3 H144385 -0.659 -1.925 2.674 + 1269TIP3 H244386 -0.624 -1.999 2.799 + 1269TIP3 OH244387 -2.034 -2.173 2.568 + 1269TIP3 H144388 -2.074 -2.123 2.495 + 1269TIP3 H244389 -2.099 -2.158 2.639 + 1269TIP3 OH244390 -1.354 -1.242 1.957 + 1269TIP3 H144391 -1.282 -1.204 2.009 + 1269TIP3 H244392 -1.385 -1.163 1.909 + 1269TIP3 OH244393 -1.740 -1.384 2.581 + 1269TIP3 H144394 -1.814 -1.323 2.605 + 1269TIP3 H244395 -1.678 -1.324 2.535 + 1269TIP3 OH244396 -0.950 -2.114 2.187 + 1269TIP3 H144397 -0.984 -2.167 2.260 + 1269TIP3 H244398 -0.892 -2.051 2.234 + 1269TIP3 OH244399 -2.074 -1.967 2.362 + 1269TIP3 H144400 -2.008 -1.911 2.408 + 1269TIP3 H244401 -2.017 -2.004 2.291 + 1269TIP3 OH244402 -1.942 -1.197 2.654 + 1269TIP3 H144403 -1.945 -1.106 2.620 + 1269TIP3 H244404 -2.028 -1.202 2.699 + 1269TIP3 OH244405 -2.326 -1.213 1.735 + 1269TIP3 H144406 -2.335 -1.165 1.652 + 1269TIP3 H244407 -2.303 -1.140 1.797 + 1270TIP3 OH244408 -0.962 -1.072 2.433 + 1270TIP3 H144409 -1.058 -1.073 2.416 + 1270TIP3 H244410 -0.933 -1.004 2.371 + 1270TIP3 OH244411 -0.924 -2.193 2.567 + 1270TIP3 H144412 -1.003 -2.153 2.525 + 1270TIP3 H244413 -0.855 -2.173 2.501 + 1270TIP3 OH244414 -1.620 -2.424 2.276 + 1270TIP3 H144415 -1.643 -2.518 2.273 + 1270TIP3 H244416 -1.701 -2.384 2.313 + 1270TIP3 OH244417 -1.090 -0.890 2.074 + 1270TIP3 H144418 -1.059 -0.969 2.027 + 1270TIP3 H244419 -1.096 -0.826 2.002 + 1270TIP3 OH244420 -0.835 -1.217 2.786 + 1270TIP3 H144421 -0.846 -1.284 2.715 + 1270TIP3 H244422 -0.822 -1.136 2.734 + 1270TIP3 OH244423 -1.362 -1.721 1.477 + 1270TIP3 H144424 -1.285 -1.680 1.517 + 1270TIP3 H244425 -1.334 -1.722 1.383 + 1270TIP3 OH244426 -0.660 -1.602 2.581 + 1270TIP3 H144427 -0.730 -1.535 2.584 + 1270TIP3 H244428 -0.610 -1.574 2.501 + 1270TIP3 OH244429 -1.086 -1.556 1.889 + 1270TIP3 H144430 -1.106 -1.463 1.897 + 1270TIP3 H244431 -0.999 -1.550 1.844 + 1270TIP3 OH244432 -1.077 -1.675 2.748 + 1270TIP3 H144433 -1.069 -1.592 2.798 + 1270TIP3 H244434 -1.137 -1.646 2.678 + 1270TIP3 OH244435 -1.905 -1.452 2.041 + 1270TIP3 H144436 -1.935 -1.494 1.957 + 1270TIP3 H244437 -1.837 -1.515 2.071 + 1271TIP3 OH244438 -1.768 -1.115 2.319 + 1271TIP3 H144439 -1.773 -1.143 2.226 + 1271TIP3 H244440 -1.685 -1.158 2.347 + 1271TIP3 OH244441 -1.839 -1.572 2.390 + 1271TIP3 H144442 -1.783 -1.566 2.310 + 1271TIP3 H244443 -1.800 -1.504 2.448 + 1271TIP3 OH244444 -1.255 -1.018 2.451 + 1271TIP3 H144445 -1.240 -0.955 2.524 + 1271TIP3 H244446 -1.265 -1.103 2.497 + 1271TIP3 OH244447 -1.756 -1.139 2.874 + 1271TIP3 H144448 -1.808 -1.072 2.921 + 1271TIP3 H244449 -1.819 -1.166 2.804 + 1271TIP3 OH244450 -2.063 -1.497 2.785 + 1271TIP3 H144451 -2.058 -1.441 2.865 + 1271TIP3 H244452 -2.158 -1.513 2.778 + 1271TIP3 OH244453 -1.400 -0.919 1.970 + 1271TIP3 H144454 -1.382 -0.877 2.054 + 1271TIP3 H244455 -1.453 -0.854 1.923 + 1271TIP3 OH244456 -1.946 -0.919 2.956 + 1271TIP3 H144457 -1.956 -0.916 2.859 + 1271TIP3 H244458 -2.034 -0.948 2.987 + 1271TIP3 OH244459 -0.820 -2.414 1.564 + 1271TIP3 H144460 -0.903 -2.394 1.610 + 1271TIP3 H244461 -0.782 -2.325 1.551 + 1271TIP3 OH244462 -2.013 -1.579 1.803 + 1271TIP3 H144463 -2.022 -1.507 1.737 + 1271TIP3 H244464 -2.071 -1.645 1.764 + 1271TIP3 OH244465 -2.406 -1.311 2.668 + 1271TIP3 H144466 -2.440 -1.317 2.576 + 1271TIP3 H244467 -2.386 -1.405 2.687 + 1272TIP3 OH244468 -2.398 -1.021 2.362 + 1272TIP3 H144469 -2.305 -1.049 2.362 + 1272TIP3 H244470 -2.397 -0.956 2.434 + 1272TIP3 OH244471 -0.557 -0.955 2.939 + 1272TIP3 H144472 -0.563 -1.049 2.914 + 1272TIP3 H244473 -0.650 -0.936 2.965 + 1272TIP3 OH244474 -1.492 -1.035 2.818 + 1272TIP3 H144475 -1.486 -0.951 2.868 + 1272TIP3 H244476 -1.582 -1.064 2.840 + 1272TIP3 OH244477 -2.079 -0.740 1.978 + 1272TIP3 H144478 -2.061 -0.784 2.063 + 1272TIP3 H244479 -2.167 -0.769 1.956 + 1272TIP3 OH244480 -0.880 -1.820 2.979 + 1272TIP3 H144481 -0.927 -1.781 2.904 + 1272TIP3 H244482 -0.873 -1.913 2.951 + 1272TIP3 OH244483 -2.184 -1.154 2.795 + 1272TIP3 H144484 -2.153 -1.203 2.874 + 1272TIP3 H244485 -2.254 -1.212 2.759 + 1272TIP3 OH244486 -1.862 -2.310 2.369 + 1272TIP3 H144487 -1.944 -2.315 2.316 + 1272TIP3 H244488 -1.884 -2.235 2.426 + 1272TIP3 OH244489 -1.425 -2.351 2.732 + 1272TIP3 H144490 -1.372 -2.403 2.796 + 1272TIP3 H244491 -1.515 -2.385 2.745 + 1272TIP3 OH244492 -1.110 -1.973 2.783 + 1272TIP3 H144493 -1.169 -1.987 2.859 + 1272TIP3 H244494 -1.114 -1.877 2.769 + 1272TIP3 OH244495 -1.441 -2.102 1.450 + 1272TIP3 H144496 -1.496 -2.095 1.529 + 1272TIP3 H244497 -1.492 -2.161 1.393 + 1273TIP3 OH244498 -1.877 -1.830 2.507 + 1273TIP3 H144499 -1.931 -1.817 2.586 + 1273TIP3 H244500 -1.867 -1.738 2.473 + 1273TIP3 OH244501 -1.880 -1.822 1.996 + 1273TIP3 H144502 -1.976 -1.829 1.979 + 1273TIP3 H244503 -1.845 -1.840 1.907 + 1273TIP3 OH244504 -1.350 -1.716 1.856 + 1273TIP3 H144505 -1.383 -1.678 1.773 + 1273TIP3 H244506 -1.258 -1.736 1.829 + 1273TIP3 OH244507 -1.403 -1.743 3.013 + 1273TIP3 H144508 -1.453 -1.821 3.046 + 1273TIP3 H244509 -1.314 -1.759 3.051 + 1273TIP3 OH244510 -1.245 -1.826 2.139 + 1273TIP3 H144511 -1.260 -1.766 2.064 + 1273TIP3 H244512 -1.212 -1.905 2.092 + 1273TIP3 OH244513 -2.148 -1.810 2.695 + 1273TIP3 H144514 -2.108 -1.785 2.779 + 1273TIP3 H244515 -2.176 -1.901 2.714 + 1273TIP3 OH244516 -1.802 -2.047 1.346 + 1273TIP3 H144517 -1.844 -2.090 1.422 + 1273TIP3 H244518 -1.877 -2.039 1.284 + 1273TIP3 OH244519 -2.460 -2.069 2.059 + 1273TIP3 H144520 -2.395 -2.070 2.132 + 1273TIP3 H244521 -2.409 -2.102 1.983 + 1273TIP3 OH244522 -2.295 -2.017 1.630 + 1273TIP3 H144523 -2.245 -1.972 1.559 + 1273TIP3 H244524 -2.368 -1.954 1.641 + 1273TIP3 OH244525 -1.328 -1.656 2.595 + 1273TIP3 H144526 -1.284 -1.727 2.543 + 1273TIP3 H244527 -1.357 -1.704 2.673 + 1274TIP3 OH244528 -1.605 -2.064 2.099 + 1274TIP3 H144529 -1.699 -2.066 2.122 + 1274TIP3 H244530 -1.563 -2.082 2.184 + 1274TIP3 OH244531 -2.151 -1.942 1.969 + 1274TIP3 H144532 -2.230 -1.913 1.919 + 1274TIP3 H244533 -2.120 -2.019 1.918 + 1274TIP3 OH244534 -1.784 -1.898 1.733 + 1274TIP3 H144535 -1.687 -1.892 1.734 + 1274TIP3 H244536 -1.810 -1.847 1.654 + 1274TIP3 OH244537 -1.165 -2.152 2.405 + 1274TIP3 H144538 -1.231 -2.148 2.477 + 1274TIP3 H244539 -1.221 -2.181 2.331 + 1274TIP3 OH244540 -1.927 -1.786 1.498 + 1274TIP3 H144541 -1.987 -1.821 1.431 + 1274TIP3 H244542 -1.848 -1.765 1.446 + 1274TIP3 OH244543 -0.868 -0.569 3.068 + 1274TIP3 H144544 -0.844 -0.527 2.983 + 1274TIP3 H244545 -0.793 -0.543 3.125 + 1274TIP3 OH244546 -2.075 -1.308 3.010 + 1274TIP3 H144547 -2.007 -1.301 3.080 + 1274TIP3 H244548 -2.155 -1.311 3.067 + 1274TIP3 OH244549 -1.504 -1.808 2.281 + 1274TIP3 H144550 -1.429 -1.848 2.235 + 1274TIP3 H244551 -1.516 -1.869 2.356 + 1274TIP3 OH244552 -1.973 -2.167 1.901 + 1274TIP3 H144553 -2.029 -2.245 1.911 + 1274TIP3 H244554 -1.894 -2.203 1.859 + 1274TIP3 OH244555 -1.608 -1.965 2.507 + 1274TIP3 H144556 -1.683 -1.904 2.509 + 1274TIP3 H244557 -1.557 -1.939 2.586 + 1275TIP3 OH244558 -1.563 -1.378 1.727 + 1275TIP3 H144559 -1.594 -1.383 1.635 + 1275TIP3 H244560 -1.575 -1.284 1.744 + 1275TIP3 OH244561 -0.871 -1.405 2.572 + 1275TIP3 H144562 -0.818 -1.354 2.507 + 1275TIP3 H244563 -0.954 -1.420 2.522 + 1275TIP3 OH244564 -1.182 -2.032 1.498 + 1275TIP3 H144565 -1.273 -2.018 1.465 + 1275TIP3 H244566 -1.158 -1.943 1.531 + 1275TIP3 OH244567 -1.428 -1.323 2.829 + 1275TIP3 H144568 -1.459 -1.355 2.915 + 1275TIP3 H244569 -1.458 -1.231 2.828 + 1275TIP3 OH244570 -1.115 -1.818 1.677 + 1275TIP3 H144571 -1.034 -1.855 1.717 + 1275TIP3 H244572 -1.076 -1.746 1.624 + 1275TIP3 OH244573 -2.078 -1.385 2.278 + 1275TIP3 H144574 -2.023 -1.395 2.198 + 1275TIP3 H244575 -2.067 -1.471 2.321 + 1275TIP3 OH244576 -2.356 -1.555 2.807 + 1275TIP3 H144577 -2.335 -1.601 2.891 + 1275TIP3 H244578 -2.411 -1.620 2.760 + 1275TIP3 OH244579 -1.655 -1.605 3.002 + 1275TIP3 H144580 -1.687 -1.631 2.914 + 1275TIP3 H244581 -1.562 -1.635 2.996 + 1275TIP3 OH244582 -1.201 -1.064 2.775 + 1275TIP3 H144583 -1.298 -1.057 2.768 + 1275TIP3 H244584 -1.186 -1.039 2.868 + 1275TIP3 OH244585 -0.652 -1.843 1.636 + 1275TIP3 H144586 -0.709 -1.863 1.560 + 1275TIP3 H244587 -0.647 -1.745 1.629 + 1276TIP3 OH244588 -0.603 -1.252 2.934 + 1276TIP3 H144589 -0.696 -1.233 2.911 + 1276TIP3 H244590 -0.567 -1.276 2.846 + 1276TIP3 OH244591 -1.100 -1.466 2.403 + 1276TIP3 H144592 -1.191 -1.479 2.373 + 1276TIP3 H244593 -1.056 -1.539 2.354 + 1276TIP3 OH244594 -1.843 -1.045 2.011 + 1276TIP3 H144595 -1.794 -0.966 1.982 + 1276TIP3 H244596 -1.927 -1.030 1.967 + 1276TIP3 OH244597 -2.247 -1.575 1.458 + 1276TIP3 H144598 -2.188 -1.512 1.504 + 1276TIP3 H244599 -2.334 -1.546 1.488 + 1276TIP3 OH244600 -1.661 -1.298 1.989 + 1276TIP3 H144601 -1.681 -1.204 1.974 + 1276TIP3 H244602 -1.750 -1.334 2.000 + 1276TIP3 OH244603 -1.641 -0.861 2.604 + 1276TIP3 H144604 -1.585 -0.789 2.571 + 1276TIP3 H244605 -1.578 -0.912 2.656 + 1276TIP3 OH244606 -1.791 -0.777 1.923 + 1276TIP3 H144607 -1.880 -0.764 1.886 + 1276TIP3 H244608 -1.758 -0.686 1.922 + 1276TIP3 OH244609 -1.299 -1.290 2.558 + 1276TIP3 H144610 -1.326 -1.318 2.647 + 1276TIP3 H244611 -1.224 -1.349 2.540 + 1276TIP3 OH244612 -1.008 -0.828 2.802 + 1276TIP3 H144613 -1.081 -0.876 2.758 + 1276TIP3 H244614 -0.995 -0.752 2.742 + 1276TIP3 OH244615 -2.221 -2.091 2.767 + 1276TIP3 H144616 -2.312 -2.067 2.740 + 1276TIP3 H244617 -2.235 -2.179 2.807 + 1277TIP3 OH244618 -2.248 -0.917 2.608 + 1277TIP3 H144619 -2.213 -1.007 2.619 + 1277TIP3 H244620 -2.220 -0.877 2.692 + 1277TIP3 OH244621 -2.120 -1.380 1.630 + 1277TIP3 H144622 -2.181 -1.323 1.679 + 1277TIP3 H244623 -2.054 -1.318 1.595 + 1277TIP3 OH244624 -1.326 -2.108 2.622 + 1277TIP3 H144625 -1.261 -2.081 2.689 + 1277TIP3 H244626 -1.372 -2.183 2.664 + 1277TIP3 OH244627 -1.260 -2.164 1.738 + 1277TIP3 H144628 -1.239 -2.114 1.656 + 1277TIP3 H244629 -1.212 -2.112 1.804 + 1277TIP3 OH244630 -1.475 -0.973 1.667 + 1277TIP3 H144631 -1.564 -0.940 1.651 + 1277TIP3 H244632 -1.423 -0.921 1.604 + 1277TIP3 OH244633 -1.514 -1.964 1.842 + 1277TIP3 H144634 -1.443 -1.898 1.852 + 1277TIP3 H244635 -1.542 -1.979 1.934 + 1277TIP3 OH244636 -1.485 -1.875 2.759 + 1277TIP3 H144637 -1.476 -1.822 2.840 + 1277TIP3 H244638 -1.429 -1.951 2.778 + 1277TIP3 OH244639 -1.460 -2.265 1.932 + 1277TIP3 H144640 -1.479 -2.198 2.000 + 1277TIP3 H244641 -1.386 -2.222 1.885 + 1277TIP3 OH244642 -1.883 -2.163 1.588 + 1277TIP3 H144643 -1.893 -2.082 1.641 + 1277TIP3 H244644 -1.798 -2.197 1.620 + 1277TIP3 OH244645 -0.856 -2.073 2.847 + 1277TIP3 H144646 -0.951 -2.060 2.829 + 1277TIP3 H244647 -0.827 -2.093 2.757 + 1278TIP3 OH244648 -1.017 -1.688 2.264 + 1278TIP3 H144649 -1.078 -1.737 2.208 + 1278TIP3 H244650 -0.948 -1.755 2.283 + 1278TIP3 OH244651 -2.230 -1.860 1.408 + 1278TIP3 H144652 -2.221 -1.763 1.419 + 1278TIP3 H244653 -2.298 -1.865 1.338 + 1278TIP3 OH244654 -0.909 -0.768 2.400 + 1278TIP3 H144655 -0.915 -0.719 2.317 + 1278TIP3 H244656 -0.813 -0.781 2.408 + 1278TIP3 OH244657 -2.142 -2.352 2.286 + 1278TIP3 H144658 -2.158 -2.354 2.190 + 1278TIP3 H244659 -2.175 -2.439 2.315 + 1278TIP3 OH244660 -2.269 -0.979 1.877 + 1278TIP3 H144661 -2.334 -0.914 1.905 + 1278TIP3 H244662 -2.202 -0.926 1.831 + 1278TIP3 OH244663 -2.311 -0.712 3.028 + 1278TIP3 H144664 -2.253 -0.740 3.101 + 1278TIP3 H244665 -2.349 -0.797 3.000 + 1278TIP3 OH244666 -1.842 -0.806 3.207 + 1278TIP3 H144667 -1.773 -0.871 3.228 + 1278TIP3 H244668 -1.865 -0.832 3.116 + 1278TIP3 OH244669 -1.198 -0.977 3.066 + 1278TIP3 H144670 -1.237 -1.061 3.099 + 1278TIP3 H244671 -1.127 -0.960 3.130 + 1278TIP3 OH244672 -2.316 -1.349 3.140 + 1278TIP3 H144673 -2.306 -1.440 3.109 + 1278TIP3 H244674 -2.393 -1.319 3.087 + 1278TIP3 OH244675 -1.653 -1.330 3.075 + 1278TIP3 H144676 -1.683 -1.298 2.988 + 1278TIP3 H244677 -1.645 -1.427 3.060 + 1279TIP3 OH244678 -1.116 -1.368 2.815 + 1279TIP3 H144679 -1.037 -1.318 2.790 + 1279TIP3 H244680 -1.185 -1.300 2.811 + 1279TIP3 OH244681 -2.230 -1.635 3.057 + 1279TIP3 H144682 -2.156 -1.699 3.056 + 1279TIP3 H244683 -2.234 -1.615 3.152 + 1279TIP3 OH244684 -1.798 -1.494 1.575 + 1279TIP3 H144685 -1.836 -1.565 1.627 + 1279TIP3 H244686 -1.754 -1.543 1.503 + 1279TIP3 OH244687 -1.868 -1.724 2.797 + 1279TIP3 H144688 -1.916 -1.643 2.821 + 1279TIP3 H244689 -1.798 -1.689 2.739 + 1279TIP3 OH244690 -1.661 -1.689 1.399 + 1279TIP3 H144691 -1.660 -1.678 1.303 + 1279TIP3 H244692 -1.566 -1.679 1.418 + 1279TIP3 OH244693 -1.332 -1.451 3.159 + 1279TIP3 H144694 -1.244 -1.472 3.123 + 1279TIP3 H244695 -1.359 -1.537 3.194 + 1279TIP3 OH244696 -1.806 -1.993 2.915 + 1279TIP3 H144697 -1.797 -2.059 2.844 + 1279TIP3 H244698 -1.824 -1.913 2.863 + 1279TIP3 OH244699 -1.772 -2.146 2.661 + 1279TIP3 H144700 -1.719 -2.095 2.597 + 1279TIP3 H244701 -1.862 -2.143 2.623 + 1279TIP3 OH244702 -1.618 -1.602 2.701 + 1279TIP3 H144703 -1.534 -1.612 2.654 + 1279TIP3 H244704 -1.647 -1.514 2.669 + 1279TIP3 OH244705 -1.158 -1.808 3.181 + 1279TIP3 H144706 -1.136 -1.902 3.190 + 1279TIP3 H244707 -1.069 -1.770 3.170 + 1280TIP3 OH244708 -1.063 -1.528 3.030 + 1280TIP3 H144709 -1.096 -1.468 2.959 + 1280TIP3 H244710 -0.974 -1.546 2.995 + 1280TIP3 OH244711 -1.985 -1.808 3.093 + 1280TIP3 H144712 -2.037 -1.890 3.095 + 1280TIP3 H244713 -1.903 -1.838 3.050 + 1280TIP3 OH244714 -1.700 -2.414 2.696 + 1280TIP3 H144715 -1.716 -2.318 2.679 + 1280TIP3 H244716 -1.769 -2.455 2.641 + 1280TIP3 OH244717 -1.574 -1.955 3.075 + 1280TIP3 H144718 -1.609 -1.979 3.163 + 1280TIP3 H244719 -1.652 -1.976 3.020 + 1280TIP3 OH244720 -1.319 -2.051 2.962 + 1280TIP3 H144721 -1.408 -2.048 3.002 + 1280TIP3 H244722 -1.273 -2.115 3.019 + 1280TIP3 OH244723 -1.135 -2.203 3.134 + 1280TIP3 H144724 -1.150 -2.299 3.149 + 1280TIP3 H244725 -1.152 -2.163 3.221 + 1280TIP3 OH244726 -2.118 -2.062 3.078 + 1280TIP3 H144727 -2.124 -2.133 3.012 + 1280TIP3 H244728 -2.138 -2.111 3.161 + 1280TIP3 OH244729 -1.715 -2.464 2.977 + 1280TIP3 H144730 -1.657 -2.541 2.983 + 1280TIP3 H244731 -1.717 -2.450 2.880 + 1280TIP3 OH244732 -1.620 -2.278 3.161 + 1280TIP3 H144733 -1.650 -2.338 3.090 + 1280TIP3 H244734 -1.691 -2.211 3.165 + 1280TIP3 OH244735 -2.443 -0.611 1.941 + 1280TIP3 H144736 -2.512 -0.654 1.888 + 1280TIP3 H244737 -2.418 -0.681 2.004 + 1281TIP3 OH244738 -2.394 -0.819 2.135 + 1281TIP3 H144739 -2.404 -0.908 2.172 + 1281TIP3 H244740 -2.349 -0.775 2.209 + 1281TIP3 OH244741 -0.629 -0.672 2.442 + 1281TIP3 H144742 -0.603 -0.697 2.532 + 1281TIP3 H244743 -0.544 -0.664 2.397 + 1281TIP3 OH244744 -0.640 -0.741 2.731 + 1281TIP3 H144745 -0.692 -0.812 2.689 + 1281TIP3 H244746 -0.582 -0.794 2.788 + 1281TIP3 OH244747 -0.839 -1.196 3.155 + 1281TIP3 H144748 -0.927 -1.193 3.195 + 1281TIP3 H244749 -0.795 -1.115 3.186 + 1281TIP3 OH244750 -0.681 -1.261 2.423 + 1281TIP3 H144751 -0.623 -1.315 2.366 + 1281TIP3 H244752 -0.666 -1.172 2.386 + 1281TIP3 OH244753 -0.810 -0.967 2.647 + 1281TIP3 H144754 -0.886 -0.933 2.695 + 1281TIP3 H244755 -0.853 -1.007 2.568 + 1281TIP3 OH244756 -0.821 -1.712 2.035 + 1281TIP3 H144757 -0.856 -1.756 1.957 + 1281TIP3 H244758 -0.889 -1.649 2.058 + 1281TIP3 OH244759 -2.378 -1.473 2.378 + 1281TIP3 H144760 -2.354 -1.474 2.284 + 1281TIP3 H244761 -2.292 -1.498 2.418 + 1281TIP3 OH244762 -0.801 -1.505 2.926 + 1281TIP3 H144763 -0.727 -1.569 2.932 + 1281TIP3 H244764 -0.755 -1.425 2.899 + 1281TIP3 OH244765 -0.647 -1.698 3.052 + 1281TIP3 H144766 -0.725 -1.750 3.021 + 1281TIP3 H244767 -0.575 -1.763 3.042 + 1282TIP3 OH244768 -0.854 -2.058 1.344 + 1282TIP3 H144769 -0.797 -2.119 1.392 + 1282TIP3 H244770 -0.933 -2.108 1.319 + 1282TIP3 OH244771 -0.888 -1.936 1.822 + 1282TIP3 H144772 -0.853 -2.027 1.828 + 1282TIP3 H244773 -0.812 -1.892 1.780 + 1282TIP3 OH244774 -0.851 -1.896 2.369 + 1282TIP3 H144775 -0.755 -1.879 2.356 + 1282TIP3 H244776 -0.858 -1.885 2.465 + 1282TIP3 OH244777 -0.834 -1.818 2.655 + 1282TIP3 H144778 -0.920 -1.777 2.675 + 1282TIP3 H244779 -0.780 -1.741 2.628 + 1282TIP3 OH244780 -2.385 -1.943 3.017 + 1282TIP3 H144781 -2.291 -1.969 3.021 + 1282TIP3 H244782 -2.428 -2.030 3.024 + 1282TIP3 OH244783 -0.578 -2.405 3.180 + 1282TIP3 H144784 -0.537 -2.473 3.123 + 1282TIP3 H244785 -0.576 -2.327 3.121 + 1282TIP3 OH244786 -0.828 -2.220 1.823 + 1282TIP3 H144787 -0.811 -2.254 1.912 + 1282TIP3 H244788 -0.905 -2.273 1.795 + 1282TIP3 OH244789 -2.309 -2.110 2.301 + 1282TIP3 H144790 -2.262 -2.195 2.304 + 1282TIP3 H244791 -2.239 -2.050 2.332 + 1282TIP3 OH244792 -2.455 -1.841 2.401 + 1282TIP3 H144793 -2.396 -1.850 2.324 + 1282TIP3 H244794 -2.414 -1.766 2.447 + 1282TIP3 OH244795 -0.642 -2.199 3.006 + 1282TIP3 H144796 -0.730 -2.157 3.005 + 1282TIP3 H244797 -0.649 -2.254 2.925 + 1283TIP3 OH244798 -0.632 -2.190 1.493 + 1283TIP3 H144799 -0.592 -2.260 1.438 + 1283TIP3 H244800 -0.557 -2.128 1.503 + 1283TIP3 OH244801 -2.404 -2.205 1.809 + 1283TIP3 H144802 -2.498 -2.203 1.784 + 1283TIP3 H244803 -2.363 -2.148 1.741 + 1283TIP3 OH244804 -2.399 -2.318 2.624 + 1283TIP3 H144805 -2.471 -2.348 2.681 + 1283TIP3 H244806 -2.449 -2.268 2.556 + 1283TIP3 OH244807 -2.201 -1.008 3.091 + 1283TIP3 H144808 -2.272 -1.014 3.026 + 1283TIP3 H244809 -2.248 -1.016 3.175 + 1283TIP3 OH244810 -1.918 -0.911 2.658 + 1283TIP3 H144811 -1.947 -0.826 2.621 + 1283TIP3 H244812 -1.822 -0.905 2.640 + 1283TIP3 OH244813 -1.468 -0.781 2.959 + 1283TIP3 H144814 -1.450 -0.799 3.053 + 1283TIP3 H244815 -1.385 -0.737 2.932 + 1283TIP3 OH244816 -1.240 -0.632 2.881 + 1283TIP3 H144817 -1.172 -0.696 2.853 + 1283TIP3 H244818 -1.207 -0.606 2.969 + 1283TIP3 OH244819 -0.757 -2.378 2.804 + 1283TIP3 H144820 -0.834 -2.356 2.750 + 1283TIP3 H244821 -0.732 -2.466 2.770 + 1283TIP3 OH244822 -2.179 -0.616 2.690 + 1283TIP3 H144823 -2.240 -0.554 2.645 + 1283TIP3 H244824 -2.215 -0.614 2.780 + 1283TIP3 OH244825 -1.930 -0.640 2.548 + 1283TIP3 H144826 -2.016 -0.620 2.590 + 1283TIP3 H244827 -1.925 -0.575 2.476 + 1284TIP3 OH244828 -1.454 -0.640 2.499 + 1284TIP3 H144829 -1.490 -0.597 2.419 + 1284TIP3 H244830 -1.445 -0.565 2.559 + 1284TIP3 OH244831 -1.223 -0.769 2.598 + 1284TIP3 H144832 -1.306 -0.737 2.560 + 1284TIP3 H244833 -1.165 -0.693 2.586 + 1284TIP3 OH244834 -0.966 -0.599 2.618 + 1284TIP3 H144835 -0.979 -0.509 2.584 + 1284TIP3 H244836 -0.942 -0.648 2.537 + 1284TIP3 OH244837 -2.233 -0.739 2.384 + 1284TIP3 H144838 -2.230 -0.784 2.471 + 1284TIP3 H244839 -2.153 -0.777 2.342 + 1284TIP3 OH244840 -2.026 -0.858 2.240 + 1284TIP3 H144841 -2.032 -0.954 2.257 + 1284TIP3 H244842 -1.931 -0.841 2.259 + 1284TIP3 OH244843 -1.745 -0.805 2.315 + 1284TIP3 H144844 -1.718 -0.894 2.286 + 1284TIP3 H244845 -1.737 -0.814 2.411 + 1284TIP3 OH244846 -1.412 -2.226 2.247 + 1284TIP3 H144847 -1.480 -2.295 2.260 + 1284TIP3 H244848 -1.347 -2.272 2.190 + 1284TIP3 OH244849 -0.914 -2.424 2.294 + 1284TIP3 H144850 -0.837 -2.379 2.253 + 1284TIP3 H244851 -0.987 -2.392 2.240 + 1284TIP3 OH244852 -0.710 -2.316 2.075 + 1284TIP3 H144853 -0.634 -2.352 2.027 + 1284TIP3 H244854 -0.674 -2.227 2.097 + 1284TIP3 OH244855 -2.176 -2.358 2.007 + 1284TIP3 H144856 -2.261 -2.368 1.959 + 1284TIP3 H244857 -2.133 -2.443 1.988 + 1285TIP3 OH244858 -2.291 -2.410 1.594 + 1285TIP3 H144859 -2.240 -2.346 1.539 + 1285TIP3 H244860 -2.336 -2.351 1.656 + 1285TIP3 OH244861 -1.728 -2.379 1.988 + 1285TIP3 H144862 -1.639 -2.342 1.978 + 1285TIP3 H244863 -1.734 -2.387 2.084 + 1285TIP3 OH244864 -1.177 -2.367 2.130 + 1285TIP3 H144865 -1.139 -2.381 2.042 + 1285TIP3 H244866 -1.205 -2.457 2.154 + 1285TIP3 OH244867 -1.059 -2.373 1.733 + 1285TIP3 H144868 -1.137 -2.318 1.710 + 1285TIP3 H244869 -1.099 -2.461 1.745 + 1285TIP3 OH244870 -2.131 -2.239 1.448 + 1285TIP3 H144871 -2.075 -2.263 1.372 + 1285TIP3 H244872 -2.066 -2.190 1.502 + 1285TIP3 OH244873 -1.619 -2.224 1.692 + 1285TIP3 H144874 -1.578 -2.269 1.769 + 1285TIP3 H244875 -1.595 -2.132 1.715 + 1285TIP3 OH244876 -1.418 -0.723 1.538 + 1285TIP3 H144877 -1.378 -0.636 1.541 + 1285TIP3 H244878 -1.465 -0.722 1.454 + 1285TIP3 OH244879 -2.197 -2.332 2.957 + 1285TIP3 H144880 -2.236 -2.414 2.992 + 1285TIP3 H244881 -2.104 -2.345 2.983 + 1285TIP3 OH244882 -1.958 -2.393 3.129 + 1285TIP3 H144883 -1.876 -2.428 3.089 + 1285TIP3 H244884 -1.992 -2.473 3.174 + 1285TIP3 OH244885 -1.145 -2.483 3.147 + 1285TIP3 H144886 -1.142 -2.524 3.235 + 1285TIP3 H244887 -1.051 -2.486 3.120 + 1286TIP3 OH244888 -0.815 -0.849 3.022 + 1286TIP3 H144889 -0.882 -0.869 2.954 + 1286TIP3 H244890 -0.829 -0.754 3.033 + 1286TIP3 OH244891 0.615 -1.479 2.025 + 1286TIP3 H144892 0.614 -1.383 2.038 + 1286TIP3 H244893 0.544 -1.491 1.961 + 1286TIP3 OH244894 0.500 -1.538 2.336 + 1286TIP3 H144895 0.494 -1.593 2.415 + 1286TIP3 H244896 0.468 -1.598 2.267 + 1286TIP3 OH244897 -0.264 -1.570 2.512 + 1286TIP3 H144898 -0.259 -1.652 2.563 + 1286TIP3 H244899 -0.180 -1.527 2.535 + 1286TIP3 OH244900 0.865 -1.267 2.166 + 1286TIP3 H144901 0.826 -1.333 2.224 + 1286TIP3 H244902 0.889 -1.198 2.229 + 1286TIP3 OH244903 -0.192 -1.124 2.360 + 1286TIP3 H144904 -0.214 -1.215 2.331 + 1286TIP3 H244905 -0.096 -1.133 2.369 + 1286TIP3 OH244906 -0.521 -1.755 1.891 + 1286TIP3 H144907 -0.576 -1.676 1.904 + 1286TIP3 H244908 -0.577 -1.804 1.829 + 1286TIP3 OH244909 -0.416 -1.514 2.098 + 1286TIP3 H144910 -0.440 -1.606 2.114 + 1286TIP3 H244911 -0.347 -1.524 2.033 + 1286TIP3 OH244912 0.583 -0.697 2.248 + 1286TIP3 H144913 0.615 -0.750 2.174 + 1286TIP3 H244914 0.551 -0.764 2.309 + 1286TIP3 OH244915 0.342 -1.285 2.398 + 1286TIP3 H144916 0.372 -1.352 2.334 + 1286TIP3 H244917 0.426 -1.270 2.445 + 1287TIP3 OH244918 1.214 -2.136 2.459 + 1287TIP3 H144919 1.236 -2.072 2.528 + 1287TIP3 H244920 1.272 -2.106 2.386 + 1287TIP3 OH244921 0.678 -1.852 2.446 + 1287TIP3 H144922 0.687 -1.949 2.450 + 1287TIP3 H244923 0.668 -1.838 2.350 + 1287TIP3 OH244924 0.758 -2.037 1.981 + 1287TIP3 H144925 0.815 -2.078 2.049 + 1287TIP3 H244926 0.823 -1.988 1.929 + 1287TIP3 OH244927 -0.320 -1.778 2.224 + 1287TIP3 H144928 -0.282 -1.855 2.271 + 1287TIP3 H244929 -0.331 -1.816 2.136 + 1287TIP3 OH244930 0.177 -1.637 2.148 + 1287TIP3 H144931 0.247 -1.693 2.188 + 1287TIP3 H244932 0.124 -1.704 2.099 + 1287TIP3 OH244933 1.286 -1.995 2.707 + 1287TIP3 H144934 1.227 -1.925 2.676 + 1287TIP3 H244935 1.261 -2.001 2.800 + 1287TIP3 OH244936 -0.139 -2.151 2.568 + 1287TIP3 H144937 -0.185 -2.127 2.484 + 1287TIP3 H244938 -0.211 -2.135 2.631 + 1287TIP3 OH244939 0.593 -1.193 1.907 + 1287TIP3 H144940 0.574 -1.214 1.814 + 1287TIP3 H244941 0.558 -1.104 1.915 + 1287TIP3 OH244942 0.149 -1.383 2.584 + 1287TIP3 H144943 0.074 -1.325 2.606 + 1287TIP3 H244944 0.208 -1.324 2.534 + 1287TIP3 OH244945 0.941 -2.112 2.188 + 1287TIP3 H144946 0.897 -2.168 2.253 + 1287TIP3 H244947 0.990 -2.050 2.244 + 1288TIP3 OH244948 -0.054 -1.196 2.658 + 1288TIP3 H144949 -0.061 -1.106 2.620 + 1288TIP3 H244950 -0.142 -1.206 2.696 + 1288TIP3 OH244951 0.922 -1.079 2.422 + 1288TIP3 H144952 0.824 -1.070 2.420 + 1288TIP3 H244953 0.948 -0.995 2.380 + 1288TIP3 OH244954 0.953 -2.194 2.572 + 1288TIP3 H144955 0.875 -2.156 2.527 + 1288TIP3 H244956 1.024 -2.177 2.508 + 1288TIP3 OH244957 0.257 -2.419 2.290 + 1288TIP3 H144958 0.238 -2.513 2.274 + 1288TIP3 H244959 0.169 -2.385 2.313 + 1288TIP3 OH244960 0.780 -0.889 2.082 + 1288TIP3 H144961 0.803 -0.961 2.021 + 1288TIP3 H244962 0.761 -0.816 2.023 + 1288TIP3 OH244963 0.900 -1.114 1.913 + 1288TIP3 H144964 0.831 -1.156 1.860 + 1288TIP3 H244965 0.893 -1.164 1.997 + 1288TIP3 OH244966 1.053 -1.219 2.786 + 1288TIP3 H144967 1.038 -1.283 2.714 + 1288TIP3 H244968 1.061 -1.135 2.737 + 1288TIP3 OH244969 0.503 -1.531 1.724 + 1288TIP3 H144970 0.432 -1.469 1.698 + 1288TIP3 H244971 0.570 -1.506 1.659 + 1288TIP3 OH244972 1.228 -1.600 2.578 + 1288TIP3 H144973 1.154 -1.537 2.587 + 1288TIP3 H244974 1.273 -1.564 2.500 + 1288TIP3 OH244975 0.819 -1.541 1.832 + 1288TIP3 H144976 0.757 -1.508 1.900 + 1288TIP3 H244977 0.889 -1.580 1.888 + 1289TIP3 OH244978 0.812 -1.675 2.748 + 1289TIP3 H144979 0.816 -1.592 2.798 + 1289TIP3 H244980 0.746 -1.648 2.681 + 1289TIP3 OH244981 -0.007 -1.453 2.017 + 1289TIP3 H144982 -0.035 -1.516 1.949 + 1289TIP3 H244983 0.049 -1.510 2.072 + 1289TIP3 OH244984 0.120 -1.117 2.297 + 1289TIP3 H144985 0.130 -1.162 2.211 + 1289TIP3 H244986 0.199 -1.153 2.343 + 1289TIP3 OH244987 0.043 -1.572 2.392 + 1289TIP3 H144988 0.101 -1.570 2.314 + 1289TIP3 H244989 0.086 -1.509 2.452 + 1289TIP3 OH244990 0.637 -1.020 2.450 + 1289TIP3 H144991 0.641 -0.953 2.520 + 1289TIP3 H244992 0.617 -1.102 2.498 + 1289TIP3 OH244993 0.129 -1.140 2.874 + 1289TIP3 H144994 0.077 -1.071 2.920 + 1289TIP3 H244995 0.068 -1.167 2.803 + 1289TIP3 OH244996 -0.171 -1.497 2.788 + 1289TIP3 H144997 -0.174 -1.443 2.869 + 1289TIP3 H244998 -0.266 -1.512 2.770 + 1289TIP3 OH244999 -0.062 -0.916 2.956 + 1289TIP3 H145000 -0.069 -0.914 2.859 + 1289TIP3 H245001 -0.149 -0.950 2.984 + 1289TIP3 OH245002 1.067 -2.411 1.561 + 1289TIP3 H145003 0.980 -2.399 1.605 + 1289TIP3 H245004 1.103 -2.321 1.561 + 1289TIP3 OH245005 -0.120 -1.555 1.734 + 1289TIP3 H145006 -0.159 -1.481 1.780 + 1289TIP3 H245007 -0.174 -1.631 1.762 + 1290TIP3 OH245008 -0.517 -1.309 2.668 + 1290TIP3 H145009 -0.557 -1.308 2.578 + 1290TIP3 H245010 -0.501 -1.405 2.680 + 1290TIP3 OH245011 -0.510 -1.008 2.357 + 1290TIP3 H145012 -0.419 -1.043 2.353 + 1290TIP3 H245013 -0.507 -0.955 2.437 + 1290TIP3 OH245014 1.329 -0.957 2.938 + 1290TIP3 H145015 1.317 -1.051 2.919 + 1290TIP3 H245016 1.238 -0.933 2.966 + 1290TIP3 OH245017 0.394 -1.036 2.819 + 1290TIP3 H145018 0.400 -0.951 2.868 + 1290TIP3 H245019 0.303 -1.064 2.839 + 1290TIP3 OH245020 1.009 -1.820 2.978 + 1290TIP3 H145021 0.955 -1.780 2.908 + 1290TIP3 H245022 1.012 -1.913 2.950 + 1290TIP3 OH245023 -0.303 -1.150 2.798 + 1290TIP3 H145024 -0.268 -1.205 2.872 + 1290TIP3 H245025 -0.369 -1.208 2.757 + 1290TIP3 OH245026 -0.016 -2.324 2.351 + 1290TIP3 H145027 -0.098 -2.316 2.299 + 1290TIP3 H245028 -0.024 -2.243 2.404 + 1290TIP3 OH245029 0.461 -2.350 2.732 + 1290TIP3 H145030 0.513 -2.404 2.795 + 1290TIP3 H245031 0.370 -2.383 2.745 + 1290TIP3 OH245032 0.779 -1.971 2.786 + 1290TIP3 H145033 0.715 -1.987 2.858 + 1290TIP3 H245034 0.769 -1.875 2.769 + 1290TIP3 OH245035 0.008 -1.853 2.504 + 1290TIP3 H145036 -0.075 -1.856 2.553 + 1290TIP3 H245037 -0.008 -1.778 2.444 + 1291TIP3 OH245038 0.004 -1.805 1.986 + 1291TIP3 H145039 -0.087 -1.840 1.998 + 1291TIP3 H245040 0.034 -1.865 1.916 + 1291TIP3 OH245041 0.562 -1.767 1.872 + 1291TIP3 H145042 0.525 -1.683 1.839 + 1291TIP3 H245043 0.637 -1.776 1.812 + 1291TIP3 OH245044 0.483 -1.745 3.011 + 1291TIP3 H145045 0.433 -1.821 3.045 + 1291TIP3 H245046 0.571 -1.759 3.051 + 1291TIP3 OH245047 0.654 -1.827 2.155 + 1291TIP3 H145048 0.623 -1.767 2.085 + 1291TIP3 H245049 0.672 -1.907 2.102 + 1291TIP3 OH245050 -0.271 -1.807 2.701 + 1291TIP3 H145051 -0.220 -1.788 2.781 + 1291TIP3 H245052 -0.294 -1.900 2.714 + 1291TIP3 OH245053 -0.554 -2.083 2.086 + 1291TIP3 H145054 -0.475 -2.077 2.142 + 1291TIP3 H245055 -0.518 -2.102 1.999 + 1291TIP3 OH245056 -0.421 -2.018 1.620 + 1291TIP3 H145057 -0.362 -1.970 1.558 + 1291TIP3 H245058 -0.487 -1.950 1.637 + 1291TIP3 OH245059 0.562 -1.658 2.600 + 1291TIP3 H145060 0.605 -1.730 2.548 + 1291TIP3 H245061 0.525 -1.707 2.674 + 1291TIP3 OH245062 0.249 -2.067 2.104 + 1291TIP3 H145063 0.154 -2.059 2.123 + 1291TIP3 H245064 0.287 -2.076 2.193 + 1291TIP3 OH245065 -0.262 -1.916 1.943 + 1291TIP3 H145066 -0.355 -1.911 1.917 + 1291TIP3 H245067 -0.238 -2.008 1.924 + 1292TIP3 OH245068 0.123 -1.917 1.717 + 1292TIP3 H145069 0.209 -1.891 1.754 + 1292TIP3 H245070 0.083 -1.834 1.688 + 1292TIP3 OH245071 0.719 -2.151 2.400 + 1292TIP3 H145072 0.655 -2.149 2.474 + 1292TIP3 H245073 0.660 -2.183 2.329 + 1292TIP3 OH245074 -0.082 -1.840 1.510 + 1292TIP3 H145075 -0.123 -1.827 1.423 + 1292TIP3 H245076 -0.026 -1.763 1.517 + 1292TIP3 OH245077 1.020 -0.571 3.068 + 1292TIP3 H145078 1.041 -0.526 2.985 + 1292TIP3 H245079 1.090 -0.540 3.127 + 1292TIP3 OH245080 -0.191 -1.306 3.012 + 1292TIP3 H145081 -0.121 -1.301 3.081 + 1292TIP3 H245082 -0.270 -1.311 3.068 + 1292TIP3 OH245083 0.382 -1.809 2.277 + 1292TIP3 H145084 0.458 -1.856 2.239 + 1292TIP3 H245085 0.360 -1.865 2.354 + 1292TIP3 OH245086 -0.084 -2.157 1.904 + 1292TIP3 H145087 -0.143 -2.227 1.938 + 1292TIP3 H245088 -0.021 -2.206 1.851 + 1292TIP3 OH245089 0.271 -1.947 2.508 + 1292TIP3 H145090 0.183 -1.904 2.509 + 1292TIP3 H245091 0.310 -1.919 2.593 + 1292TIP3 OH245092 0.286 -1.333 1.736 + 1292TIP3 H145093 0.224 -1.377 1.676 + 1292TIP3 H245094 0.257 -1.355 1.824 + 1292TIP3 OH245095 1.016 -1.409 2.570 + 1292TIP3 H145096 1.065 -1.353 2.506 + 1292TIP3 H245097 0.930 -1.421 2.525 + 1293TIP3 OH245098 0.658 -2.021 1.501 + 1293TIP3 H145099 0.581 -1.970 1.476 + 1293TIP3 H245100 0.719 -1.949 1.531 + 1293TIP3 OH245101 0.461 -1.322 2.830 + 1293TIP3 H145102 0.428 -1.355 2.914 + 1293TIP3 H245103 0.428 -1.231 2.828 + 1293TIP3 OH245104 0.780 -1.827 1.649 + 1293TIP3 H145105 0.859 -1.849 1.703 + 1293TIP3 H245106 0.805 -1.742 1.611 + 1293TIP3 OH245107 -0.186 -1.388 2.278 + 1293TIP3 H145108 -0.138 -1.403 2.195 + 1293TIP3 H245109 -0.192 -1.477 2.315 + 1293TIP3 OH245110 0.580 -1.216 1.608 + 1293TIP3 H145111 0.589 -1.265 1.525 + 1293TIP3 H245112 0.541 -1.133 1.578 + 1293TIP3 OH245113 -0.479 -1.553 2.813 + 1293TIP3 H145114 -0.450 -1.606 2.889 + 1293TIP3 H245115 -0.522 -1.618 2.755 + 1293TIP3 OH245116 0.227 -1.609 2.999 + 1293TIP3 H145117 0.198 -1.630 2.908 + 1293TIP3 H245118 0.320 -1.637 2.993 + 1293TIP3 OH245119 0.686 -1.064 2.776 + 1293TIP3 H145120 0.589 -1.057 2.767 + 1293TIP3 H245121 0.699 -1.038 2.868 + 1293TIP3 OH245122 1.235 -1.837 1.650 + 1293TIP3 H145123 1.184 -1.857 1.569 + 1293TIP3 H245124 1.257 -1.745 1.631 + 1293TIP3 OH245125 1.283 -1.254 2.932 + 1293TIP3 H145126 1.189 -1.233 2.913 + 1293TIP3 H245127 1.316 -1.273 2.842 + 1294TIP3 OH245128 1.121 -0.947 1.776 + 1294TIP3 H145129 1.054 -1.016 1.787 + 1294TIP3 H245130 1.117 -0.926 1.682 + 1294TIP3 OH245131 0.781 -1.466 2.402 + 1294TIP3 H145132 0.688 -1.480 2.376 + 1294TIP3 H245133 0.826 -1.536 2.350 + 1294TIP3 OH245134 -0.379 -1.498 1.469 + 1294TIP3 H145135 -0.327 -1.555 1.525 + 1294TIP3 H245136 -0.471 -1.520 1.498 + 1294TIP3 OH245137 0.190 -1.237 2.040 + 1294TIP3 H145138 0.182 -1.175 1.967 + 1294TIP3 H245139 0.130 -1.310 2.016 + 1294TIP3 OH245140 0.244 -0.861 2.602 + 1294TIP3 H145141 0.298 -0.786 2.569 + 1294TIP3 H245142 0.310 -0.909 2.655 + 1294TIP3 OH245143 0.587 -1.286 2.560 + 1294TIP3 H145144 0.557 -1.316 2.647 + 1294TIP3 H245145 0.659 -1.349 2.540 + 1294TIP3 OH245146 0.880 -0.829 2.798 + 1294TIP3 H145147 0.804 -0.875 2.757 + 1294TIP3 H245148 0.889 -0.750 2.741 + 1294TIP3 OH245149 -0.339 -2.087 2.776 + 1294TIP3 H145150 -0.426 -2.066 2.737 + 1294TIP3 H245151 -0.352 -2.181 2.799 + 1294TIP3 OH245152 0.940 -1.296 1.652 + 1294TIP3 H145153 0.885 -1.357 1.702 + 1294TIP3 H245154 1.015 -1.281 1.711 + 1294TIP3 OH245155 -0.365 -0.911 2.605 + 1294TIP3 H145156 -0.332 -1.002 2.606 + 1294TIP3 H245157 -0.329 -0.878 2.688 + 1295TIP3 OH245158 0.562 -2.109 2.619 + 1295TIP3 H145159 0.621 -2.082 2.691 + 1295TIP3 H245160 0.510 -2.181 2.660 + 1295TIP3 OH245161 0.635 -2.168 1.733 + 1295TIP3 H145162 0.651 -2.104 1.661 + 1295TIP3 H245163 0.667 -2.119 1.811 + 1295TIP3 OH245164 0.371 -1.972 1.851 + 1295TIP3 H145165 0.441 -1.905 1.866 + 1295TIP3 H245166 0.331 -1.981 1.939 + 1295TIP3 OH245167 0.400 -1.873 2.758 + 1295TIP3 H145168 0.408 -1.821 2.840 + 1295TIP3 H245169 0.454 -1.950 2.777 + 1295TIP3 OH245170 0.427 -2.263 1.941 + 1295TIP3 H145171 0.399 -2.193 2.002 + 1295TIP3 H245172 0.491 -2.214 1.886 + 1295TIP3 OH245173 -0.001 -2.161 1.590 + 1295TIP3 H145174 -0.003 -2.072 1.630 + 1295TIP3 H245175 0.087 -2.192 1.613 + 1295TIP3 OH245176 1.031 -2.073 2.845 + 1295TIP3 H145177 0.935 -2.059 2.832 + 1295TIP3 H245178 1.055 -2.095 2.754 + 1295TIP3 OH245179 0.886 -1.688 2.246 + 1295TIP3 H145180 0.803 -1.730 2.219 + 1295TIP3 H245181 0.932 -1.761 2.293 + 1295TIP3 OH245182 -0.368 -1.850 1.395 + 1295TIP3 H145183 -0.343 -1.757 1.397 + 1295TIP3 H245184 -0.459 -1.844 1.363 + 1295TIP3 OH245185 0.984 -0.795 2.396 + 1295TIP3 H145186 0.957 -0.725 2.335 + 1295TIP3 H245187 1.079 -0.777 2.405 + 1296TIP3 OH245188 -0.428 -0.712 3.031 + 1296TIP3 H145189 -0.365 -0.745 3.099 + 1296TIP3 H245190 -0.463 -0.797 2.996 + 1296TIP3 OH245191 0.038 -0.808 3.208 + 1296TIP3 H145192 0.111 -0.868 3.228 + 1296TIP3 H245193 0.020 -0.832 3.115 + 1296TIP3 OH245194 0.689 -0.977 3.067 + 1296TIP3 H145195 0.652 -1.061 3.101 + 1296TIP3 H245196 0.760 -0.958 3.131 + 1296TIP3 OH245197 -0.433 -1.349 3.143 + 1296TIP3 H145198 -0.420 -1.439 3.109 + 1296TIP3 H245199 -0.506 -1.319 3.085 + 1296TIP3 OH245200 0.229 -1.332 3.075 + 1296TIP3 H145201 0.202 -1.298 2.988 + 1296TIP3 H245202 0.238 -1.428 3.058 + 1296TIP3 OH245203 0.770 -1.369 2.815 + 1296TIP3 H145204 0.847 -1.314 2.792 + 1296TIP3 H245205 0.698 -1.303 2.811 + 1296TIP3 OH245206 -0.344 -1.635 3.058 + 1296TIP3 H145207 -0.270 -1.698 3.054 + 1296TIP3 H245208 -0.349 -1.618 3.153 + 1296TIP3 OH245209 0.024 -1.729 2.791 + 1296TIP3 H145210 -0.029 -1.649 2.811 + 1296TIP3 H245211 0.085 -1.694 2.724 + 1296TIP3 OH245212 0.553 -1.451 3.159 + 1296TIP3 H145213 0.641 -1.471 3.125 + 1296TIP3 H245214 0.527 -1.537 3.195 + 1296TIP3 OH245215 0.082 -1.991 2.914 + 1296TIP3 H145216 0.089 -2.059 2.845 + 1296TIP3 H245217 0.061 -1.913 2.861 + 1297TIP3 OH245218 0.124 -2.149 2.660 + 1297TIP3 H145219 0.173 -2.092 2.599 + 1297TIP3 H245220 0.032 -2.141 2.626 + 1297TIP3 OH245221 0.272 -1.599 2.703 + 1297TIP3 H145222 0.352 -1.609 2.650 + 1297TIP3 H245223 0.238 -1.514 2.670 + 1297TIP3 OH245224 0.726 -1.809 3.178 + 1297TIP3 H145225 0.748 -1.902 3.193 + 1297TIP3 H245226 0.814 -1.769 3.173 + 1297TIP3 OH245227 0.824 -1.529 3.028 + 1297TIP3 H145228 0.789 -1.469 2.960 + 1297TIP3 H245229 0.913 -1.546 2.991 + 1297TIP3 OH245230 -0.097 -1.808 3.092 + 1297TIP3 H145231 -0.150 -1.890 3.092 + 1297TIP3 H245232 -0.016 -1.838 3.048 + 1297TIP3 OH245233 0.188 -2.416 2.697 + 1297TIP3 H145234 0.172 -2.321 2.680 + 1297TIP3 H245235 0.118 -2.457 2.642 + 1297TIP3 OH245236 0.313 -1.958 3.075 + 1297TIP3 H145237 0.275 -1.978 3.162 + 1297TIP3 H245238 0.234 -1.974 3.018 + 1297TIP3 OH245239 0.567 -2.052 2.960 + 1297TIP3 H145240 0.478 -2.046 3.000 + 1297TIP3 H245241 0.612 -2.115 3.020 + 1297TIP3 OH245242 0.753 -2.204 3.134 + 1297TIP3 H145243 0.735 -2.298 3.151 + 1297TIP3 H245244 0.733 -2.162 3.220 + 1297TIP3 OH245245 -0.226 -2.063 3.080 + 1297TIP3 H145246 -0.240 -2.128 3.010 + 1297TIP3 H245247 -0.256 -2.112 3.159 + 1298TIP3 OH245248 0.169 -2.466 2.977 + 1298TIP3 H145249 0.231 -2.540 2.981 + 1298TIP3 H245250 0.165 -2.450 2.881 + 1298TIP3 OH245251 0.263 -2.280 3.164 + 1298TIP3 H145252 0.235 -2.338 3.091 + 1298TIP3 H245253 0.196 -2.210 3.163 + 1298TIP3 OH245254 -0.511 -0.785 2.122 + 1298TIP3 H145255 -0.525 -0.881 2.120 + 1298TIP3 H245256 -0.459 -0.773 2.201 + 1298TIP3 OH245257 1.257 -0.687 2.437 + 1298TIP3 H145258 1.273 -0.690 2.533 + 1298TIP3 H245259 1.342 -0.654 2.404 + 1298TIP3 OH245260 1.247 -0.742 2.725 + 1298TIP3 H145261 1.193 -0.815 2.689 + 1298TIP3 H245262 1.300 -0.791 2.790 + 1298TIP3 OH245263 1.046 -1.200 3.155 + 1298TIP3 H145264 0.957 -1.192 3.194 + 1298TIP3 H245265 1.090 -1.119 3.185 + 1298TIP3 OH245266 1.238 -1.510 1.894 + 1298TIP3 H145267 1.159 -1.546 1.937 + 1298TIP3 H245268 1.292 -1.477 1.968 + 1298TIP3 OH245269 1.207 -1.263 2.427 + 1298TIP3 H145270 1.265 -1.311 2.365 + 1298TIP3 H245271 1.212 -1.173 2.392 + 1298TIP3 OH245272 1.076 -0.973 2.649 + 1298TIP3 H145273 1.002 -0.931 2.696 + 1298TIP3 H245274 1.031 -1.005 2.568 + 1298TIP3 OH245275 1.092 -1.813 1.398 + 1298TIP3 H145276 1.110 -1.749 1.328 + 1298TIP3 H245277 1.066 -1.893 1.349 + 1299TIP3 OH245278 1.023 -1.686 1.995 + 1299TIP3 H145279 1.015 -1.781 1.979 + 1299TIP3 H245280 0.987 -1.677 2.085 + 1299TIP3 OH245281 -0.493 -1.476 2.375 + 1299TIP3 H145282 -0.471 -1.475 2.279 + 1299TIP3 H245283 -0.405 -1.502 2.412 + 1299TIP3 OH245284 1.085 -1.507 2.921 + 1299TIP3 H145285 1.159 -1.568 2.939 + 1299TIP3 H245286 1.130 -1.424 2.902 + 1299TIP3 OH245287 1.241 -1.697 3.042 + 1299TIP3 H145288 1.161 -1.749 3.020 + 1299TIP3 H245289 1.311 -1.765 3.040 + 1299TIP3 OH245290 1.018 -2.094 1.325 + 1299TIP3 H145291 1.087 -2.128 1.384 + 1299TIP3 H245292 0.940 -2.141 1.354 + 1299TIP3 OH245293 1.002 -1.941 1.819 + 1299TIP3 H145294 1.032 -2.034 1.825 + 1299TIP3 H245295 1.080 -1.899 1.780 + 1299TIP3 OH245296 1.035 -1.892 2.368 + 1299TIP3 H145297 1.131 -1.879 2.366 + 1299TIP3 H245298 1.019 -1.887 2.464 + 1299TIP3 OH245299 1.052 -1.820 2.650 + 1299TIP3 H145300 0.966 -1.783 2.677 + 1299TIP3 H245301 1.103 -1.739 2.629 + 1299TIP3 OH245302 -0.500 -1.943 3.024 + 1299TIP3 H145303 -0.407 -1.969 3.013 + 1299TIP3 H245304 -0.544 -2.030 3.024 + 1299TIP3 OH245305 1.309 -2.404 3.180 + 1299TIP3 H145306 1.348 -2.473 3.123 + 1299TIP3 H245307 1.310 -2.326 3.120 + 1300TIP3 OH245308 1.059 -2.225 1.823 + 1300TIP3 H145309 1.069 -2.257 1.915 + 1300TIP3 H245310 0.981 -2.276 1.794 + 1300TIP3 OH245311 -0.567 -1.839 2.395 + 1300TIP3 H145312 -0.501 -1.864 2.327 + 1300TIP3 H245313 -0.521 -1.764 2.434 + 1300TIP3 OH245314 1.245 -2.200 3.004 + 1300TIP3 H145315 1.158 -2.157 3.010 + 1300TIP3 H245316 1.231 -2.254 2.924 + 1300TIP3 OH245317 1.252 -2.181 1.490 + 1300TIP3 H145318 1.283 -2.256 1.436 + 1300TIP3 H245319 1.331 -2.125 1.492 + 1300TIP3 OH245320 -0.521 -2.203 1.810 + 1300TIP3 H145321 -0.615 -2.196 1.786 + 1300TIP3 H245322 -0.478 -2.145 1.744 + 1300TIP3 OH245323 1.036 -0.655 1.966 + 1300TIP3 H145324 1.013 -0.729 1.907 + 1300TIP3 H245325 0.980 -0.674 2.042 + 1300TIP3 OH245326 -0.513 -2.323 2.631 + 1300TIP3 H145327 -0.594 -2.342 2.680 + 1300TIP3 H245328 -0.547 -2.270 2.556 + 1300TIP3 OH245329 -0.316 -1.005 3.093 + 1300TIP3 H145330 -0.381 -1.019 3.023 + 1300TIP3 H245331 -0.368 -1.015 3.173 + 1300TIP3 OH245332 -0.032 -0.909 2.661 + 1300TIP3 H145333 -0.060 -0.825 2.620 + 1300TIP3 H245334 0.064 -0.904 2.641 + 1300TIP3 OH245335 0.418 -0.780 2.960 + 1300TIP3 H145336 0.437 -0.800 3.053 + 1300TIP3 H245337 0.500 -0.736 2.931 + 1301TIP3 OH245338 0.647 -0.634 2.883 + 1301TIP3 H145339 0.715 -0.698 2.856 + 1301TIP3 H245340 0.679 -0.607 2.971 + 1301TIP3 OH245341 1.132 -2.376 2.802 + 1301TIP3 H145342 1.052 -2.355 2.751 + 1301TIP3 H245343 1.153 -2.466 2.769 + 1301TIP3 OH245344 -0.290 -0.615 2.695 + 1301TIP3 H145345 -0.349 -0.556 2.645 + 1301TIP3 H245346 -0.333 -0.616 2.781 + 1301TIP3 OH245347 -0.038 -0.636 2.551 + 1301TIP3 H145348 -0.127 -0.619 2.589 + 1301TIP3 H245349 -0.037 -0.578 2.473 + 1301TIP3 OH245350 0.420 -0.642 2.502 + 1301TIP3 H145351 0.391 -0.602 2.417 + 1301TIP3 H245352 0.439 -0.562 2.553 + 1301TIP3 OH245353 0.659 -0.766 2.598 + 1301TIP3 H145354 0.577 -0.737 2.555 + 1301TIP3 H245355 0.716 -0.690 2.583 + 1301TIP3 OH245356 0.920 -0.596 2.614 + 1301TIP3 H145357 0.911 -0.503 2.586 + 1301TIP3 H245358 0.940 -0.639 2.529 + 1301TIP3 OH245359 -0.339 -0.715 2.388 + 1301TIP3 H145360 -0.340 -0.772 2.468 + 1301TIP3 H245361 -0.267 -0.760 2.338 + 1301TIP3 OH245362 -0.144 -0.857 2.262 + 1301TIP3 H145363 -0.154 -0.954 2.267 + 1301TIP3 H245364 -0.047 -0.846 2.269 + 1301TIP3 OH245365 0.133 -0.818 2.314 + 1301TIP3 H145366 0.159 -0.909 2.291 + 1301TIP3 H245367 0.148 -0.817 2.410 + 1302TIP3 OH245368 0.472 -2.223 2.248 + 1302TIP3 H145369 0.401 -2.287 2.265 + 1302TIP3 H245370 0.528 -2.269 2.184 + 1302TIP3 OH245371 0.970 -2.425 2.294 + 1302TIP3 H145372 1.045 -2.380 2.252 + 1302TIP3 H245373 0.894 -2.395 2.240 + 1302TIP3 OH245374 1.178 -2.316 2.082 + 1302TIP3 H145375 1.249 -2.356 2.029 + 1302TIP3 H245376 1.209 -2.223 2.090 + 1302TIP3 OH245377 -0.275 -2.353 1.999 + 1302TIP3 H145378 -0.367 -2.370 1.973 + 1302TIP3 H245379 -0.243 -2.443 2.016 + 1302TIP3 OH245380 -0.409 -2.407 1.589 + 1302TIP3 H145381 -0.358 -2.341 1.539 + 1302TIP3 H245382 -0.449 -2.352 1.658 + 1302TIP3 OH245383 0.166 -2.388 1.986 + 1302TIP3 H145384 0.252 -2.343 1.982 + 1302TIP3 H245385 0.143 -2.376 2.079 + 1302TIP3 OH245386 0.719 -2.369 2.134 + 1302TIP3 H145387 0.741 -2.384 2.041 + 1302TIP3 H245388 0.676 -2.454 2.158 + 1302TIP3 OH245389 0.830 -2.371 1.732 + 1302TIP3 H145390 0.750 -2.316 1.722 + 1302TIP3 H245391 0.792 -2.459 1.746 + 1302TIP3 OH245392 -0.243 -2.230 1.436 + 1302TIP3 H145393 -0.176 -2.269 1.378 + 1302TIP3 H245394 -0.186 -2.181 1.499 + 1302TIP3 OH245395 0.320 -2.209 1.653 + 1302TIP3 H145396 0.301 -2.267 1.729 + 1302TIP3 H245397 0.306 -2.122 1.695 + 1303TIP3 OH245398 -0.314 -2.333 2.961 + 1303TIP3 H145399 -0.349 -2.417 2.995 + 1303TIP3 H245400 -0.219 -2.343 2.980 + 1303TIP3 OH245401 -0.070 -2.392 3.133 + 1303TIP3 H145402 0.012 -2.426 3.090 + 1303TIP3 H245403 -0.106 -2.473 3.171 + 1303TIP3 OH245404 0.740 -2.484 3.147 + 1303TIP3 H145405 0.744 -2.524 3.236 + 1303TIP3 H245406 0.833 -2.486 3.120 + 1303TIP3 OH245407 1.077 -0.848 3.016 + 1303TIP3 H145408 1.004 -0.868 2.954 + 1303TIP3 H245409 1.058 -0.754 3.036 + 1303TIP3 OH245410 2.496 -1.478 2.030 + 1303TIP3 H145411 2.497 -1.381 2.035 + 1303TIP3 H245412 2.424 -1.494 1.967 + 1303TIP3 OH245413 2.376 -1.537 2.337 + 1303TIP3 H145414 2.382 -1.591 2.418 + 1303TIP3 H245415 2.357 -1.604 2.270 + 1303TIP3 OH245416 1.634 -1.573 2.498 + 1303TIP3 H145417 1.626 -1.649 2.560 + 1303TIP3 H245418 1.700 -1.519 2.544 + 1303TIP3 OH245419 2.755 -1.260 2.167 + 1303TIP3 H145420 2.714 -1.332 2.216 + 1303TIP3 H245421 2.774 -1.197 2.238 + 1303TIP3 OH245422 1.693 -1.121 2.351 + 1303TIP3 H145423 1.671 -1.210 2.318 + 1303TIP3 H245424 1.787 -1.133 2.374 + 1303TIP3 OH245425 1.386 -1.772 1.903 + 1303TIP3 H145426 1.350 -1.681 1.906 + 1303TIP3 H245427 1.321 -1.815 1.846 + 1304TIP3 OH245428 1.461 -1.522 2.084 + 1304TIP3 H145429 1.474 -1.611 2.122 + 1304TIP3 H245430 1.539 -1.512 2.029 + 1304TIP3 OH245431 2.461 -0.725 2.227 + 1304TIP3 H145432 2.518 -0.799 2.199 + 1304TIP3 H245433 2.427 -0.758 2.311 + 1304TIP3 OH245434 2.233 -1.286 2.389 + 1304TIP3 H145435 2.267 -1.362 2.338 + 1304TIP3 H245436 2.311 -1.270 2.445 + 1304TIP3 OH245437 3.096 -2.133 2.455 + 1304TIP3 H145438 3.119 -2.078 2.531 + 1304TIP3 H245439 3.162 -2.102 2.390 + 1304TIP3 OH245440 2.561 -1.850 2.443 + 1304TIP3 H145441 2.573 -1.946 2.454 + 1304TIP3 H245442 2.549 -1.844 2.346 + 1304TIP3 OH245443 1.858 -2.050 2.152 + 1304TIP3 H145444 1.865 -1.966 2.105 + 1304TIP3 H245445 1.824 -2.107 2.080 + 1304TIP3 OH245446 2.642 -2.032 1.986 + 1304TIP3 H145447 2.701 -2.076 2.051 + 1304TIP3 H245448 2.708 -1.990 1.929 + 1304TIP3 OH245449 1.530 -1.774 2.203 + 1304TIP3 H145450 1.587 -1.829 2.259 + 1304TIP3 H245451 1.531 -1.824 2.119 + 1304TIP3 OH245452 2.064 -1.627 2.115 + 1304TIP3 H145453 2.131 -1.674 2.169 + 1304TIP3 H245454 1.996 -1.696 2.105 + 1304TIP3 OH245455 3.174 -1.989 2.707 + 1304TIP3 H145456 3.104 -1.926 2.682 + 1304TIP3 H245457 3.145 -2.010 2.797 + 1305TIP3 OH245458 1.739 -2.172 2.568 + 1305TIP3 H145459 1.696 -2.123 2.496 + 1305TIP3 H245460 1.673 -2.159 2.639 + 1305TIP3 OH245461 2.479 -1.198 1.897 + 1305TIP3 H145462 2.464 -1.210 1.801 + 1305TIP3 H245463 2.437 -1.111 1.912 + 1305TIP3 OH245464 2.030 -1.383 2.579 + 1305TIP3 H145465 1.957 -1.324 2.607 + 1305TIP3 H245466 2.093 -1.320 2.539 + 1305TIP3 OH245467 2.829 -2.111 2.188 + 1305TIP3 H145468 2.785 -2.170 2.250 + 1305TIP3 H245469 2.877 -2.050 2.247 + 1305TIP3 OH245470 1.697 -1.969 2.363 + 1305TIP3 H145471 1.762 -1.911 2.410 + 1305TIP3 H245472 1.755 -2.006 2.293 + 1305TIP3 OH245473 1.829 -1.198 2.652 + 1305TIP3 H145474 1.826 -1.105 2.622 + 1305TIP3 H245475 1.743 -1.204 2.697 + 1305TIP3 OH245476 2.807 -1.080 2.417 + 1305TIP3 H145477 2.709 -1.072 2.422 + 1305TIP3 H245478 2.830 -0.993 2.381 + 1305TIP3 OH245479 2.840 -2.188 2.573 + 1305TIP3 H145480 2.761 -2.152 2.527 + 1305TIP3 H245481 2.910 -2.174 2.507 + 1305TIP3 OH245482 2.152 -2.423 2.278 + 1305TIP3 H145483 2.129 -2.518 2.272 + 1305TIP3 H245484 2.070 -2.385 2.314 + 1305TIP3 OH245485 2.655 -0.890 2.095 + 1305TIP3 H145486 2.681 -0.967 2.043 + 1305TIP3 H245487 2.663 -0.818 2.032 + 1306TIP3 OH245488 2.796 -1.093 1.925 + 1306TIP3 H145489 2.750 -1.140 1.854 + 1306TIP3 H245490 2.783 -1.155 1.999 + 1306TIP3 OH245491 2.935 -1.219 2.786 + 1306TIP3 H145492 2.924 -1.285 2.715 + 1306TIP3 H245493 2.947 -1.136 2.736 + 1306TIP3 OH245494 2.346 -1.523 1.753 + 1306TIP3 H145495 2.294 -1.457 1.704 + 1306TIP3 H245496 2.426 -1.525 1.697 + 1306TIP3 OH245497 2.391 -1.732 1.484 + 1306TIP3 H145498 2.459 -1.673 1.519 + 1306TIP3 H245499 2.431 -1.758 1.401 + 1306TIP3 OH245500 3.114 -1.600 2.578 + 1306TIP3 H145501 3.039 -1.538 2.589 + 1306TIP3 H245502 3.157 -1.563 2.498 + 1306TIP3 OH245503 2.717 -1.526 1.867 + 1306TIP3 H145504 2.646 -1.506 1.932 + 1306TIP3 H245505 2.771 -1.589 1.918 + 1306TIP3 OH245506 2.697 -1.676 2.747 + 1306TIP3 H145507 2.701 -1.595 2.801 + 1306TIP3 H245508 2.631 -1.647 2.681 + 1306TIP3 OH245509 2.005 -1.115 2.319 + 1306TIP3 H145510 2.000 -1.136 2.225 + 1306TIP3 H245511 2.087 -1.159 2.347 + 1306TIP3 OH245512 1.935 -1.566 2.386 + 1306TIP3 H145513 2.000 -1.556 2.316 + 1306TIP3 H245514 1.969 -1.505 2.454 + 1306TIP3 OH245515 2.529 -1.021 2.448 + 1306TIP3 H145516 2.527 -0.953 2.518 + 1306TIP3 H245517 2.502 -1.102 2.495 + 1307TIP3 OH245518 2.015 -1.138 2.872 + 1307TIP3 H145519 1.964 -1.073 2.923 + 1307TIP3 H245520 1.950 -1.165 2.805 + 1307TIP3 OH245521 2.606 -1.586 1.614 + 1307TIP3 H145522 2.658 -1.552 1.689 + 1307TIP3 H245523 2.646 -1.536 1.538 + 1307TIP3 OH245524 1.708 -1.498 2.783 + 1307TIP3 H145525 1.713 -1.442 2.863 + 1307TIP3 H245526 1.612 -1.513 2.777 + 1307TIP3 OH245527 2.359 -0.924 1.967 + 1307TIP3 H145528 2.399 -0.884 2.044 + 1307TIP3 H245529 2.312 -0.849 1.927 + 1307TIP3 OH245530 1.825 -0.921 2.955 + 1307TIP3 H145531 1.813 -0.918 2.859 + 1307TIP3 H245532 1.737 -0.947 2.988 + 1307TIP3 OH245533 2.953 -2.411 1.561 + 1307TIP3 H145534 2.864 -2.402 1.598 + 1307TIP3 H245535 2.986 -2.320 1.565 + 1307TIP3 OH245536 3.063 -0.989 1.462 + 1307TIP3 H145537 3.092 -0.896 1.461 + 1307TIP3 H245538 3.146 -1.039 1.456 + 1307TIP3 OH245539 1.372 -1.309 2.667 + 1307TIP3 H145540 1.326 -1.307 2.581 + 1307TIP3 H245541 1.383 -1.405 2.682 + 1307TIP3 OH245542 1.378 -1.014 2.359 + 1307TIP3 H145543 1.469 -1.045 2.366 + 1307TIP3 H245544 1.370 -0.957 2.437 + 1307TIP3 OH245545 3.213 -0.957 2.934 + 1307TIP3 H145546 3.203 -1.053 2.922 + 1307TIP3 H245547 3.124 -0.932 2.966 + 1308TIP3 OH245548 2.279 -1.033 2.816 + 1308TIP3 H145549 2.286 -0.952 2.870 + 1308TIP3 H245550 2.189 -1.064 2.840 + 1308TIP3 OH245551 2.299 -0.649 1.827 + 1308TIP3 H145552 2.298 -0.657 1.729 + 1308TIP3 H245553 2.325 -0.557 1.840 + 1308TIP3 OH245554 1.642 -0.692 1.980 + 1308TIP3 H145555 1.687 -0.740 2.052 + 1308TIP3 H245556 1.590 -0.769 1.945 + 1308TIP3 OH245557 2.648 -0.725 1.492 + 1308TIP3 H145558 2.678 -0.800 1.437 + 1308TIP3 H245559 2.633 -0.762 1.578 + 1308TIP3 OH245560 2.598 -0.741 1.845 + 1308TIP3 H145561 2.515 -0.708 1.806 + 1308TIP3 H245562 2.593 -0.834 1.824 + 1308TIP3 OH245563 2.892 -1.821 2.979 + 1308TIP3 H145564 2.845 -1.787 2.902 + 1308TIP3 H245565 2.908 -1.914 2.953 + 1308TIP3 OH245566 1.590 -1.155 2.790 + 1308TIP3 H145567 1.616 -1.201 2.872 + 1308TIP3 H245568 1.515 -1.209 2.758 + 1308TIP3 OH245569 1.910 -2.307 2.368 + 1308TIP3 H145570 1.828 -2.315 2.316 + 1308TIP3 H245571 1.884 -2.236 2.428 + 1308TIP3 OH245572 2.346 -2.351 2.732 + 1308TIP3 H145573 2.398 -2.403 2.796 + 1308TIP3 H245574 2.256 -2.384 2.745 + 1308TIP3 OH245575 2.657 -1.975 2.778 + 1308TIP3 H145576 2.609 -1.992 2.861 + 1308TIP3 H245577 2.659 -1.878 2.772 + 1309TIP3 OH245578 2.773 -1.493 1.411 + 1309TIP3 H145579 2.733 -1.492 1.322 + 1309TIP3 H245580 2.855 -1.444 1.397 + 1309TIP3 OH245581 2.330 -2.104 1.460 + 1309TIP3 H145582 2.277 -2.114 1.540 + 1309TIP3 H245583 2.284 -2.166 1.400 + 1309TIP3 OH245584 1.895 -1.830 2.508 + 1309TIP3 H145585 1.839 -1.821 2.587 + 1309TIP3 H245586 1.901 -1.737 2.476 + 1309TIP3 OH245587 1.882 -1.793 1.972 + 1309TIP3 H145588 1.789 -1.821 1.968 + 1309TIP3 H245589 1.918 -1.843 1.895 + 1309TIP3 OH245590 2.451 -1.760 1.875 + 1309TIP3 H145591 2.407 -1.683 1.833 + 1309TIP3 H245592 2.518 -1.781 1.808 + 1309TIP3 OH245593 2.368 -1.745 3.011 + 1309TIP3 H145594 2.319 -1.821 3.046 + 1309TIP3 H245595 2.457 -1.758 3.050 + 1309TIP3 OH245596 2.532 -1.825 2.153 + 1309TIP3 H145597 2.505 -1.769 2.077 + 1309TIP3 H245598 2.555 -1.907 2.105 + 1309TIP3 OH245599 1.629 -1.812 2.691 + 1309TIP3 H145600 1.658 -1.782 2.778 + 1309TIP3 H245601 1.594 -1.900 2.711 + 1309TIP3 OH245602 1.972 -2.055 1.350 + 1309TIP3 H145603 1.932 -2.093 1.431 + 1309TIP3 H245604 1.894 -2.035 1.297 + 1309TIP3 OH245605 1.312 -2.069 2.059 + 1309TIP3 H145606 1.375 -2.072 2.133 + 1309TIP3 H245607 1.363 -2.105 1.984 + 1310TIP3 OH245608 1.470 -2.017 1.632 + 1310TIP3 H145609 1.521 -1.972 1.561 + 1310TIP3 H245610 1.399 -1.952 1.646 + 1310TIP3 OH245611 2.445 -1.658 2.597 + 1310TIP3 H145612 2.490 -1.731 2.548 + 1310TIP3 H245613 2.413 -1.705 2.675 + 1310TIP3 OH245614 2.166 -2.062 2.100 + 1310TIP3 H145615 2.072 -2.072 2.122 + 1310TIP3 H245616 2.208 -2.083 2.185 + 1310TIP3 OH245617 1.624 -1.938 1.965 + 1310TIP3 H145618 1.541 -1.910 1.923 + 1310TIP3 H245619 1.648 -2.018 1.916 + 1310TIP3 OH245620 1.990 -1.892 1.740 + 1310TIP3 H145621 2.086 -1.902 1.731 + 1310TIP3 H245622 1.962 -1.856 1.654 + 1310TIP3 OH245623 2.605 -2.148 2.399 + 1310TIP3 H145624 2.544 -2.148 2.477 + 1310TIP3 H245625 2.545 -2.182 2.331 + 1310TIP3 OH245626 1.844 -1.784 1.516 + 1310TIP3 H145627 1.772 -1.805 1.455 + 1310TIP3 H245628 1.916 -1.762 1.454 + 1310TIP3 OH245629 2.905 -0.571 3.069 + 1310TIP3 H145630 2.930 -0.526 2.987 + 1310TIP3 H245631 2.974 -0.542 3.130 + 1310TIP3 OH245632 1.697 -1.309 3.010 + 1310TIP3 H145633 1.764 -1.300 3.081 + 1310TIP3 H245634 1.616 -1.312 3.065 + 1310TIP3 OH245635 2.259 -1.799 2.274 + 1310TIP3 H145636 2.332 -1.844 2.230 + 1310TIP3 H245637 2.242 -1.859 2.350 + 1311TIP3 OH245638 1.801 -2.167 1.903 + 1311TIP3 H145639 1.741 -2.243 1.913 + 1311TIP3 H245640 1.877 -2.207 1.858 + 1311TIP3 OH245641 2.168 -1.957 2.501 + 1311TIP3 H145642 2.088 -1.904 2.510 + 1311TIP3 H245643 2.217 -1.937 2.584 + 1311TIP3 OH245644 2.170 -1.320 1.686 + 1311TIP3 H145645 2.090 -1.363 1.652 + 1311TIP3 H245646 2.152 -1.307 1.780 + 1311TIP3 OH245647 2.902 -1.408 2.569 + 1311TIP3 H145648 2.950 -1.353 2.503 + 1311TIP3 H245649 2.816 -1.420 2.526 + 1311TIP3 OH245650 2.595 -2.039 1.475 + 1311TIP3 H145651 2.497 -2.042 1.468 + 1311TIP3 H245652 2.610 -1.964 1.536 + 1311TIP3 OH245653 2.343 -1.322 2.828 + 1311TIP3 H145654 2.315 -1.356 2.914 + 1311TIP3 H245655 2.312 -1.231 2.830 + 1311TIP3 OH245656 2.662 -1.858 1.683 + 1311TIP3 H145657 2.753 -1.871 1.717 + 1311TIP3 H245658 2.666 -1.770 1.640 + 1311TIP3 OH245659 1.709 -1.393 2.255 + 1311TIP3 H145660 1.790 -1.408 2.206 + 1311TIP3 H245661 1.703 -1.474 2.309 + 1311TIP3 OH245662 2.428 -1.195 1.615 + 1311TIP3 H145663 2.391 -1.105 1.611 + 1311TIP3 H245664 2.352 -1.246 1.581 + 1311TIP3 OH245665 1.420 -1.558 2.805 + 1311TIP3 H145666 1.434 -1.602 2.891 + 1311TIP3 H245667 1.357 -1.617 2.760 + 1312TIP3 OH245668 2.117 -1.605 3.002 + 1312TIP3 H145669 2.083 -1.633 2.915 + 1312TIP3 H245670 2.209 -1.635 2.996 + 1312TIP3 OH245671 2.570 -1.060 2.775 + 1312TIP3 H145672 2.473 -1.055 2.770 + 1312TIP3 H245673 2.586 -1.039 2.868 + 1312TIP3 OH245674 3.123 -1.861 1.653 + 1312TIP3 H145675 3.068 -1.878 1.575 + 1312TIP3 H245676 3.136 -1.765 1.640 + 1312TIP3 OH245677 3.168 -1.254 2.932 + 1312TIP3 H145678 3.073 -1.234 2.916 + 1312TIP3 H245679 3.199 -1.272 2.842 + 1312TIP3 OH245680 2.668 -1.464 2.400 + 1312TIP3 H145681 2.575 -1.479 2.377 + 1312TIP3 H245682 2.711 -1.537 2.351 + 1312TIP3 OH245683 1.929 -1.060 2.019 + 1312TIP3 H145684 1.974 -0.980 1.987 + 1312TIP3 H245685 1.845 -1.051 1.970 + 1312TIP3 OH245686 1.520 -1.571 1.485 + 1312TIP3 H145687 1.586 -1.505 1.512 + 1312TIP3 H245688 1.439 -1.521 1.497 + 1312TIP3 OH245689 2.066 -1.326 1.964 + 1312TIP3 H145690 2.092 -1.232 1.962 + 1312TIP3 H245691 2.000 -1.320 2.033 + 1312TIP3 OH245692 2.131 -0.862 2.601 + 1312TIP3 H145693 2.186 -0.787 2.574 + 1312TIP3 H245694 2.191 -0.910 2.659 + 1312TIP3 OH245695 1.968 -0.769 1.933 + 1312TIP3 H145696 1.875 -0.755 1.914 + 1312TIP3 H245697 2.000 -0.678 1.946 + 1313TIP3 OH245698 2.471 -1.287 2.559 + 1313TIP3 H145699 2.441 -1.314 2.648 + 1313TIP3 H245700 2.545 -1.347 2.543 + 1313TIP3 OH245701 2.700 -1.161 1.453 + 1313TIP3 H145702 2.724 -1.210 1.533 + 1313TIP3 H245703 2.603 -1.168 1.456 + 1313TIP3 OH245704 2.767 -0.831 2.796 + 1313TIP3 H145705 2.690 -0.878 2.758 + 1313TIP3 H245706 2.773 -0.751 2.743 + 1313TIP3 OH245707 3.165 -0.727 1.509 + 1313TIP3 H145708 3.229 -0.663 1.475 + 1313TIP3 H245709 3.086 -0.670 1.512 + 1313TIP3 OH245710 1.550 -2.092 2.766 + 1313TIP3 H145711 1.459 -2.066 2.741 + 1313TIP3 H245712 1.535 -2.179 2.807 + 1313TIP3 OH245713 2.786 -1.291 1.692 + 1313TIP3 H145714 2.763 -1.367 1.748 + 1313TIP3 H245715 2.883 -1.287 1.699 + 1313TIP3 OH245716 1.529 -0.915 2.604 + 1313TIP3 H145717 1.555 -1.007 2.620 + 1313TIP3 H245718 1.548 -0.876 2.690 + 1313TIP3 OH245719 2.122 -1.049 1.306 + 1313TIP3 H145720 2.166 -1.113 1.246 + 1313TIP3 H245721 2.058 -1.105 1.352 + 1313TIP3 OH245722 1.973 -1.086 1.661 + 1313TIP3 H145723 2.033 -1.153 1.629 + 1313TIP3 H245724 1.969 -1.024 1.587 + 1313TIP3 OH245725 1.687 -1.356 1.652 + 1313TIP3 H145726 1.597 -1.322 1.665 + 1313TIP3 H245727 1.716 -1.286 1.591 + 1314TIP3 OH245728 2.449 -2.107 2.622 + 1314TIP3 H145729 2.513 -2.080 2.690 + 1314TIP3 H245730 2.401 -2.180 2.665 + 1314TIP3 OH245731 2.510 -2.164 1.748 + 1314TIP3 H145732 2.525 -2.112 1.668 + 1314TIP3 H245733 2.557 -2.112 1.815 + 1314TIP3 OH245734 2.297 -0.944 1.643 + 1314TIP3 H145735 2.209 -0.906 1.652 + 1314TIP3 H245736 2.333 -0.887 1.572 + 1314TIP3 OH245737 2.252 -1.965 1.842 + 1314TIP3 H145738 2.329 -1.906 1.855 + 1314TIP3 H245739 2.224 -1.982 1.934 + 1314TIP3 OH245740 2.289 -1.874 2.757 + 1314TIP3 H145741 2.294 -1.823 2.840 + 1314TIP3 H245742 2.343 -1.951 2.779 + 1314TIP3 OH245743 2.311 -2.264 1.936 + 1314TIP3 H145744 2.292 -2.194 2.002 + 1314TIP3 H245745 2.383 -2.222 1.885 + 1314TIP3 OH245746 2.009 -0.780 1.608 + 1314TIP3 H145747 2.063 -0.703 1.590 + 1314TIP3 H245748 2.003 -0.784 1.704 + 1314TIP3 OH245749 1.883 -2.165 1.589 + 1314TIP3 H145750 1.882 -2.089 1.649 + 1314TIP3 H245751 1.965 -2.210 1.615 + 1314TIP3 OH245752 2.932 -2.065 2.846 + 1314TIP3 H145753 2.838 -2.084 2.850 + 1314TIP3 H245754 2.953 -2.111 2.764 + 1314TIP3 OH245755 2.768 -1.690 2.247 + 1314TIP3 H145756 2.684 -1.734 2.223 + 1314TIP3 H245757 2.816 -1.760 2.296 + 1315TIP3 OH245758 1.533 -1.855 1.415 + 1315TIP3 H145759 1.542 -1.759 1.426 + 1315TIP3 H245760 1.467 -1.860 1.343 + 1315TIP3 OH245761 2.871 -0.804 2.382 + 1315TIP3 H145762 2.852 -0.719 2.338 + 1315TIP3 H245763 2.960 -0.787 2.416 + 1315TIP3 OH245764 1.632 -2.353 2.286 + 1315TIP3 H145765 1.613 -2.355 2.190 + 1315TIP3 H245766 1.597 -2.439 2.316 + 1315TIP3 OH245767 1.532 -0.939 1.889 + 1315TIP3 H145768 1.437 -0.959 1.888 + 1315TIP3 H245769 1.557 -0.966 1.799 + 1315TIP3 OH245770 1.461 -0.712 3.027 + 1315TIP3 H145771 1.518 -0.740 3.101 + 1315TIP3 H245772 1.421 -0.798 3.000 + 1315TIP3 OH245773 1.929 -0.806 3.206 + 1315TIP3 H145774 1.998 -0.870 3.228 + 1315TIP3 H245775 1.906 -0.833 3.116 + 1315TIP3 OH245776 2.341 -0.883 1.346 + 1315TIP3 H145777 2.259 -0.936 1.332 + 1315TIP3 H245778 2.397 -0.926 1.278 + 1315TIP3 OH245779 2.579 -0.980 3.063 + 1315TIP3 H145780 2.538 -1.060 3.102 + 1315TIP3 H245781 2.646 -0.957 3.130 + 1315TIP3 OH245782 2.801 -0.894 1.347 + 1315TIP3 H145783 2.827 -0.978 1.386 + 1315TIP3 H245784 2.868 -0.875 1.280 + 1315TIP3 OH245785 1.456 -1.349 3.140 + 1315TIP3 H145786 1.464 -1.440 3.107 + 1315TIP3 H245787 1.378 -1.319 3.089 + 1316TIP3 OH245788 1.935 -1.309 1.369 + 1316TIP3 H145789 1.871 -1.379 1.381 + 1316TIP3 H245790 1.945 -1.307 1.273 + 1316TIP3 OH245791 2.119 -1.330 3.074 + 1316TIP3 H145792 2.087 -1.298 2.988 + 1316TIP3 H245793 2.126 -1.427 3.060 + 1316TIP3 OH245794 2.655 -1.369 2.812 + 1316TIP3 H145795 2.733 -1.313 2.796 + 1316TIP3 H245796 2.585 -1.303 2.813 + 1316TIP3 OH245797 1.542 -1.635 3.057 + 1316TIP3 H145798 1.615 -1.700 3.058 + 1316TIP3 H245799 1.536 -1.614 3.152 + 1316TIP3 OH245800 1.984 -1.536 1.630 + 1316TIP3 H145801 1.892 -1.560 1.613 + 1316TIP3 H245802 2.019 -1.550 1.539 + 1316TIP3 OH245803 1.906 -1.724 2.799 + 1316TIP3 H145804 1.854 -1.645 2.821 + 1316TIP3 H245805 1.973 -1.687 2.740 + 1316TIP3 OH245806 2.078 -1.693 1.388 + 1316TIP3 H145807 2.073 -1.669 1.293 + 1316TIP3 H245808 2.174 -1.692 1.402 + 1316TIP3 OH245809 2.438 -1.452 3.155 + 1316TIP3 H145810 2.529 -1.471 3.127 + 1316TIP3 H245811 2.412 -1.536 3.196 + 1316TIP3 OH245812 3.045 -1.446 1.328 + 1316TIP3 H145813 3.011 -1.483 1.245 + 1316TIP3 H245814 3.023 -1.351 1.315 + 1316TIP3 OH245815 1.967 -1.993 2.915 + 1316TIP3 H145816 1.973 -2.059 2.844 + 1316TIP3 H245817 1.945 -1.913 2.864 + 1317TIP3 OH245818 2.000 -2.146 2.660 + 1317TIP3 H145819 2.051 -2.095 2.594 + 1317TIP3 H245820 1.909 -2.144 2.624 + 1317TIP3 OH245821 2.153 -1.602 2.699 + 1317TIP3 H145822 2.238 -1.612 2.654 + 1317TIP3 H245823 2.125 -1.514 2.670 + 1317TIP3 OH245824 2.614 -1.810 3.179 + 1317TIP3 H145825 2.636 -1.903 3.191 + 1317TIP3 H245826 2.702 -1.770 3.173 + 1317TIP3 OH245827 2.709 -1.529 3.027 + 1317TIP3 H145828 2.677 -1.468 2.958 + 1317TIP3 H245829 2.798 -1.550 2.991 + 1317TIP3 OH245830 1.788 -1.809 3.095 + 1317TIP3 H145831 1.734 -1.890 3.095 + 1317TIP3 H245832 1.869 -1.839 3.050 + 1317TIP3 OH245833 2.072 -2.414 2.696 + 1317TIP3 H145834 2.055 -2.319 2.679 + 1317TIP3 H245835 2.002 -2.455 2.641 + 1317TIP3 OH245836 2.198 -1.956 3.075 + 1317TIP3 H145837 2.163 -1.978 3.163 + 1317TIP3 H245838 2.118 -1.976 3.020 + 1317TIP3 OH245839 2.452 -2.052 2.961 + 1317TIP3 H145840 2.364 -2.048 3.003 + 1317TIP3 H245841 2.500 -2.114 3.020 + 1317TIP3 OH245842 2.629 -2.201 3.132 + 1317TIP3 H145843 2.626 -2.297 3.148 + 1317TIP3 H245844 2.622 -2.162 3.221 + 1317TIP3 OH245845 1.656 -2.063 3.078 + 1317TIP3 H145846 1.645 -2.133 3.012 + 1317TIP3 H245847 1.631 -2.110 3.160 + 1318TIP3 OH245848 2.056 -2.466 2.977 + 1318TIP3 H145849 2.117 -2.541 2.981 + 1318TIP3 H245850 2.052 -2.450 2.881 + 1318TIP3 OH245851 2.149 -2.280 3.164 + 1318TIP3 H145852 2.119 -2.338 3.091 + 1318TIP3 H245853 2.081 -2.210 3.164 + 1318TIP3 OH245854 1.343 -0.615 1.915 + 1318TIP3 H145855 1.262 -0.646 1.871 + 1318TIP3 H245856 1.347 -0.682 1.988 + 1318TIP3 OH245857 1.385 -0.800 2.134 + 1318TIP3 H145858 1.359 -0.892 2.148 + 1318TIP3 H245859 1.415 -0.778 2.223 + 1318TIP3 OH245860 3.145 -0.682 2.435 + 1318TIP3 H145861 3.154 -0.691 2.531 + 1318TIP3 H245862 3.235 -0.661 2.408 + 1318TIP3 OH245863 3.132 -0.742 2.722 + 1318TIP3 H145864 3.078 -0.817 2.692 + 1318TIP3 H245865 3.185 -0.786 2.790 + 1318TIP3 OH245866 2.931 -1.199 3.153 + 1318TIP3 H145867 2.843 -1.193 3.194 + 1318TIP3 H245868 2.977 -1.120 3.187 + 1318TIP3 OH245869 3.084 -1.304 1.732 + 1318TIP3 H145870 3.175 -1.281 1.755 + 1318TIP3 H245871 3.064 -1.372 1.799 + 1318TIP3 OH245872 3.117 -1.512 1.924 + 1318TIP3 H145873 3.047 -1.569 1.963 + 1318TIP3 H245874 3.183 -1.506 1.996 + 1318TIP3 OH245875 3.089 -1.265 2.422 + 1318TIP3 H145876 3.155 -1.312 2.368 + 1318TIP3 H245877 3.100 -1.173 2.393 + 1319TIP3 OH245878 2.961 -0.969 2.643 + 1319TIP3 H145879 2.890 -0.932 2.698 + 1319TIP3 H245880 2.912 -1.009 2.569 + 1319TIP3 OH245881 3.154 -1.564 1.579 + 1319TIP3 H145882 3.098 -1.543 1.503 + 1319TIP3 H245883 3.131 -1.491 1.639 + 1319TIP3 OH245884 2.986 -1.817 1.407 + 1319TIP3 H145885 2.983 -1.753 1.335 + 1319TIP3 H245886 2.948 -1.897 1.365 + 1319TIP3 OH245887 2.914 -1.700 2.008 + 1319TIP3 H145888 2.903 -1.795 1.990 + 1319TIP3 H245889 2.872 -1.691 2.096 + 1319TIP3 OH245890 1.397 -1.479 2.374 + 1319TIP3 H145891 1.418 -1.475 2.279 + 1319TIP3 H245892 1.485 -1.502 2.412 + 1319TIP3 OH245893 2.975 -1.510 2.922 + 1319TIP3 H145894 3.046 -1.575 2.939 + 1319TIP3 H245895 3.023 -1.428 2.908 + 1319TIP3 OH245896 3.133 -1.708 3.031 + 1319TIP3 H145897 3.049 -1.757 3.017 + 1319TIP3 H245898 3.196 -1.783 3.037 + 1319TIP3 OH245899 2.916 -2.077 1.329 + 1319TIP3 H145900 2.970 -2.129 1.391 + 1319TIP3 H245901 2.834 -2.129 1.320 + 1319TIP3 OH245902 2.900 -1.950 1.827 + 1319TIP3 H145903 2.921 -2.046 1.830 + 1319TIP3 H245904 2.979 -1.915 1.783 + 1319TIP3 OH245905 2.921 -1.889 2.368 + 1319TIP3 H145906 3.019 -1.882 2.369 + 1319TIP3 H245907 2.904 -1.890 2.464 + 1320TIP3 OH245908 2.937 -1.819 2.646 + 1320TIP3 H145909 2.851 -1.784 2.676 + 1320TIP3 H245910 2.988 -1.737 2.630 + 1320TIP3 OH245911 1.387 -1.943 3.017 + 1320TIP3 H145912 1.480 -1.970 3.021 + 1320TIP3 H245913 1.342 -2.029 3.024 + 1320TIP3 OH245914 2.945 -2.230 1.822 + 1320TIP3 H145915 2.953 -2.264 1.913 + 1320TIP3 H245916 2.865 -2.278 1.792 + 1320TIP3 OH245917 1.464 -2.110 2.296 + 1320TIP3 H145918 1.508 -2.196 2.305 + 1320TIP3 H245919 1.531 -2.050 2.334 + 1320TIP3 OH245920 1.320 -1.844 2.404 + 1320TIP3 H145921 1.373 -1.845 2.323 + 1320TIP3 H245922 1.353 -1.764 2.447 + 1320TIP3 OH245923 3.142 -2.182 1.491 + 1320TIP3 H145924 3.171 -2.262 1.443 + 1320TIP3 H245925 3.223 -2.130 1.496 + 1320TIP3 OH245926 1.367 -2.208 1.807 + 1320TIP3 H145927 1.272 -2.204 1.787 + 1320TIP3 H245928 1.406 -2.147 1.741 + 1320TIP3 OH245929 2.887 -0.636 1.989 + 1320TIP3 H145930 2.859 -0.718 1.947 + 1320TIP3 H245931 2.895 -0.659 2.082 + 1320TIP3 OH245932 1.372 -2.320 2.622 + 1320TIP3 H145933 1.300 -2.347 2.682 + 1320TIP3 H245934 1.322 -2.267 2.557 + 1320TIP3 OH245935 1.570 -1.010 3.089 + 1320TIP3 H145936 1.497 -1.013 3.026 + 1320TIP3 H245937 1.525 -1.015 3.174 + 1321TIP3 OH245938 1.855 -0.914 2.658 + 1321TIP3 H145939 1.822 -0.829 2.623 + 1321TIP3 H245940 1.950 -0.903 2.640 + 1321TIP3 OH245941 2.306 -0.782 2.958 + 1321TIP3 H145942 2.317 -0.799 3.053 + 1321TIP3 H245943 2.390 -0.737 2.936 + 1321TIP3 OH245944 2.537 -0.634 2.881 + 1321TIP3 H145945 2.603 -0.703 2.863 + 1321TIP3 H245946 2.565 -0.605 2.970 + 1321TIP3 OH245947 1.594 -0.615 2.691 + 1321TIP3 H145948 1.530 -0.555 2.648 + 1321TIP3 H245949 1.558 -0.615 2.781 + 1321TIP3 OH245950 1.845 -0.637 2.550 + 1321TIP3 H145951 1.757 -0.623 2.591 + 1321TIP3 H245952 1.846 -0.570 2.480 + 1321TIP3 OH245953 2.317 -0.640 2.501 + 1321TIP3 H145954 2.276 -0.596 2.425 + 1321TIP3 H245955 2.322 -0.566 2.565 + 1321TIP3 OH245956 2.550 -0.768 2.592 + 1321TIP3 H145957 2.464 -0.734 2.560 + 1321TIP3 H245958 2.602 -0.686 2.595 + 1321TIP3 OH245959 2.806 -0.594 2.614 + 1321TIP3 H145960 2.795 -0.500 2.591 + 1321TIP3 H245961 2.828 -0.632 2.527 + 1321TIP3 OH245962 1.556 -0.727 2.386 + 1321TIP3 H145963 1.550 -0.780 2.468 + 1321TIP3 H245964 1.625 -0.777 2.337 + 1321TIP3 OH245965 1.747 -0.857 2.234 + 1321TIP3 H145966 1.733 -0.953 2.248 + 1321TIP3 H245967 1.841 -0.848 2.257 + 1322TIP3 OH245968 2.030 -0.812 2.318 + 1322TIP3 H145969 2.046 -0.905 2.293 + 1322TIP3 H245970 2.032 -0.820 2.415 + 1322TIP3 OH245971 2.359 -2.226 2.247 + 1322TIP3 H145972 2.291 -2.295 2.263 + 1322TIP3 H245973 2.420 -2.273 2.188 + 1322TIP3 OH245974 2.856 -2.426 2.293 + 1322TIP3 H145975 2.931 -2.379 2.252 + 1322TIP3 H245976 2.781 -2.396 2.239 + 1322TIP3 OH245977 3.064 -2.314 2.081 + 1322TIP3 H145978 3.135 -2.356 2.029 + 1322TIP3 H245979 3.095 -2.223 2.090 + 1322TIP3 OH245980 1.596 -2.356 2.004 + 1322TIP3 H145981 1.510 -2.367 1.959 + 1322TIP3 H245982 1.637 -2.443 1.988 + 1322TIP3 OH245983 1.478 -2.407 1.591 + 1322TIP3 H145984 1.528 -2.341 1.538 + 1322TIP3 H245985 1.435 -2.351 1.657 + 1322TIP3 OH245986 2.043 -2.372 1.991 + 1322TIP3 H145987 2.135 -2.344 1.978 + 1322TIP3 H245988 2.040 -2.383 2.087 + 1322TIP3 OH245989 2.602 -2.368 2.132 + 1322TIP3 H145990 2.627 -2.386 2.040 + 1322TIP3 H245991 2.563 -2.454 2.158 + 1322TIP3 OH245992 2.713 -2.368 1.731 + 1322TIP3 H145993 2.630 -2.318 1.717 + 1322TIP3 H245994 2.678 -2.458 1.744 + 1322TIP3 OH245995 1.645 -2.229 1.440 + 1322TIP3 H145996 1.706 -2.275 1.380 + 1322TIP3 H245997 1.707 -2.191 1.504 + 1323TIP3 OH245998 2.156 -2.205 1.698 + 1323TIP3 H145999 2.191 -2.264 1.766 + 1323TIP3 H246000 2.180 -2.119 1.735 + 1323TIP3 OH246001 2.332 -0.673 1.551 + 1323TIP3 H146002 2.408 -0.615 1.530 + 1323TIP3 H246003 2.318 -0.715 1.464 + 1323TIP3 OH246004 3.018 -0.793 1.760 + 1323TIP3 H146005 2.974 -0.839 1.687 + 1323TIP3 H246006 3.001 -0.701 1.732 + 1323TIP3 OH246007 1.575 -2.332 2.957 + 1323TIP3 H146008 1.535 -2.413 2.992 + 1323TIP3 H246009 1.667 -2.344 2.983 + 1323TIP3 OH246010 1.814 -2.393 3.131 + 1323TIP3 H146011 1.896 -2.427 3.090 + 1323TIP3 H246012 1.778 -2.473 3.171 + 1323TIP3 OH246013 2.655 -2.481 3.140 + 1323TIP3 H146014 2.657 -2.520 3.230 + 1323TIP3 H246015 2.749 -2.475 3.119 + 1323TIP3 OH246016 2.966 -0.846 3.012 + 1323TIP3 H146017 2.889 -0.869 2.957 + 1323TIP3 H246018 2.944 -0.755 3.039 + 1323TIP3 OH246019 4.206 -1.561 2.335 + 1323TIP3 H146020 4.280 -1.549 2.397 + 1323TIP3 H246021 4.254 -1.576 2.253 + 1323TIP3 OH246022 3.533 -1.571 2.495 + 1323TIP3 H146023 3.518 -1.647 2.553 + 1323TIP3 H246024 3.585 -1.514 2.555 + 1323TIP3 OH246025 3.580 -1.120 2.343 + 1323TIP3 H146026 3.561 -1.212 2.319 + 1323TIP3 H246027 3.669 -1.130 2.382 + 1324TIP3 OH246028 3.289 -1.771 1.894 + 1324TIP3 H146029 3.238 -1.689 1.901 + 1324TIP3 H246030 3.220 -1.832 1.862 + 1324TIP3 OH246031 3.358 -1.529 2.081 + 1324TIP3 H146032 3.370 -1.615 2.127 + 1324TIP3 H246033 3.440 -1.522 2.033 + 1324TIP3 OH246034 4.123 -1.286 2.399 + 1324TIP3 H146035 4.156 -1.364 2.351 + 1324TIP3 H246036 4.201 -1.260 2.450 + 1324TIP3 OH246037 3.748 -2.036 2.141 + 1324TIP3 H146038 3.717 -1.960 2.090 + 1324TIP3 H246039 3.720 -2.107 2.082 + 1324TIP3 OH246040 3.417 -1.777 2.200 + 1324TIP3 H146041 3.472 -1.832 2.258 + 1324TIP3 H246042 3.410 -1.832 2.120 + 1324TIP3 OH246043 3.626 -2.173 2.566 + 1324TIP3 H146044 3.581 -2.120 2.498 + 1324TIP3 H246045 3.561 -2.166 2.639 + 1324TIP3 OH246046 3.905 -1.394 2.569 + 1324TIP3 H146047 3.837 -1.333 2.605 + 1324TIP3 H246048 3.977 -1.333 2.547 + 1324TIP3 OH246049 3.584 -1.965 2.358 + 1324TIP3 H146050 3.648 -1.913 2.412 + 1324TIP3 H246051 3.646 -2.004 2.293 + 1324TIP3 OH246052 3.712 -1.199 2.645 + 1324TIP3 H146053 3.714 -1.103 2.626 + 1324TIP3 H246054 3.629 -1.205 2.696 + 1324TIP3 OH246055 3.335 -1.171 1.761 + 1324TIP3 H146056 3.327 -1.174 1.664 + 1324TIP3 H246057 3.396 -1.097 1.774 + 1325TIP3 OH246058 4.044 -2.425 2.282 + 1325TIP3 H146059 4.016 -2.519 2.282 + 1325TIP3 H246060 3.964 -2.382 2.318 + 1325TIP3 OH246061 4.264 -1.542 1.747 + 1325TIP3 H146062 4.200 -1.471 1.727 + 1325TIP3 H246063 4.334 -1.520 1.686 + 1325TIP3 OH246064 4.288 -1.697 1.465 + 1325TIP3 H146065 4.368 -1.697 1.520 + 1325TIP3 H246066 4.300 -1.775 1.409 + 1325TIP3 OH246067 3.897 -1.115 2.317 + 1325TIP3 H146068 3.897 -1.152 2.228 + 1325TIP3 H246069 3.975 -1.157 2.357 + 1325TIP3 OH246070 3.836 -1.558 2.340 + 1325TIP3 H146071 3.929 -1.565 2.315 + 1325TIP3 H246072 3.844 -1.514 2.427 + 1325TIP3 OH246073 3.904 -1.135 2.869 + 1325TIP3 H146074 3.856 -1.074 2.927 + 1325TIP3 H246075 3.835 -1.161 2.806 + 1325TIP3 OH246076 3.589 -1.493 2.777 + 1325TIP3 H146077 3.600 -1.442 2.859 + 1325TIP3 H246078 3.494 -1.515 2.781 + 1325TIP3 OH246079 4.244 -0.930 1.963 + 1325TIP3 H146080 4.298 -0.883 2.029 + 1325TIP3 H246081 4.200 -0.856 1.918 + 1325TIP3 OH246082 3.708 -0.917 2.955 + 1325TIP3 H146083 3.696 -0.922 2.859 + 1325TIP3 H246084 3.622 -0.948 2.990 + 1325TIP3 OH246085 3.679 -1.582 1.829 + 1325TIP3 H146086 3.656 -1.500 1.781 + 1325TIP3 H246087 3.606 -1.640 1.800 + 1326TIP3 OH246088 3.257 -1.311 2.665 + 1326TIP3 H146089 3.209 -1.317 2.580 + 1326TIP3 H246090 3.269 -1.405 2.688 + 1326TIP3 OH246091 3.266 -1.010 2.351 + 1326TIP3 H146092 3.354 -1.047 2.368 + 1326TIP3 H246093 3.252 -0.959 2.432 + 1326TIP3 OH246094 4.168 -1.030 2.814 + 1326TIP3 H146095 4.181 -0.948 2.864 + 1326TIP3 H246096 4.082 -1.063 2.846 + 1326TIP3 OH246097 4.179 -0.651 1.810 + 1326TIP3 H146098 4.207 -0.649 1.718 + 1326TIP3 H246099 4.208 -0.567 1.845 + 1326TIP3 OH246100 3.555 -0.765 1.969 + 1326TIP3 H146101 3.579 -0.801 2.057 + 1326TIP3 H246102 3.468 -0.804 1.954 + 1326TIP3 OH246103 3.477 -1.156 2.789 + 1326TIP3 H146104 3.502 -1.197 2.874 + 1326TIP3 H246105 3.402 -1.212 2.760 + 1326TIP3 OH246106 3.797 -2.302 2.360 + 1326TIP3 H146107 3.711 -2.316 2.317 + 1326TIP3 H246108 3.772 -2.238 2.429 + 1326TIP3 OH246109 4.233 -2.372 2.794 + 1326TIP3 H146110 4.245 -2.445 2.858 + 1326TIP3 H246111 4.142 -2.390 2.763 + 1326TIP3 OH246112 4.227 -2.091 1.465 + 1326TIP3 H146113 4.169 -2.114 1.539 + 1326TIP3 H246114 4.204 -2.159 1.401 + 1326TIP3 OH246115 3.774 -1.831 2.507 + 1326TIP3 H146116 3.724 -1.822 2.590 + 1326TIP3 H246117 3.781 -1.739 2.477 + 1327TIP3 OH246118 4.274 -1.774 1.939 + 1327TIP3 H146119 4.274 -1.679 1.917 + 1327TIP3 H246120 4.363 -1.788 1.976 + 1327TIP3 OH246121 4.247 -1.741 3.019 + 1327TIP3 H146122 4.195 -1.821 3.041 + 1327TIP3 H246123 4.337 -1.778 3.026 + 1327TIP3 OH246124 3.516 -1.811 2.689 + 1327TIP3 H146125 3.542 -1.784 2.778 + 1327TIP3 H246126 3.478 -1.899 2.708 + 1327TIP3 OH246127 3.858 -2.040 1.349 + 1327TIP3 H146128 3.824 -2.085 1.429 + 1327TIP3 H246129 3.783 -2.046 1.288 + 1327TIP3 OH246130 3.218 -2.049 2.051 + 1327TIP3 H146131 3.266 -2.074 2.133 + 1327TIP3 H246132 3.253 -2.109 1.984 + 1327TIP3 OH246133 3.362 -2.020 1.624 + 1327TIP3 H146134 3.411 -1.969 1.557 + 1327TIP3 H246135 3.289 -1.959 1.645 + 1327TIP3 OH246136 4.347 -1.691 2.629 + 1327TIP3 H146137 4.370 -1.760 2.563 + 1327TIP3 H246138 4.275 -1.736 2.675 + 1327TIP3 OH246139 4.048 -2.082 2.098 + 1327TIP3 H146140 3.955 -2.077 2.128 + 1327TIP3 H246141 4.094 -2.061 2.181 + 1327TIP3 OH246142 3.548 -1.911 1.956 + 1327TIP3 H146143 3.459 -1.889 1.924 + 1327TIP3 H246144 3.562 -2.000 1.918 + 1327TIP3 OH246145 3.872 -1.845 1.773 + 1327TIP3 H146146 3.951 -1.900 1.755 + 1327TIP3 H246147 3.828 -1.842 1.685 + 1328TIP3 OH246148 3.732 -1.793 1.526 + 1328TIP3 H146149 3.661 -1.813 1.464 + 1328TIP3 H246150 3.807 -1.773 1.467 + 1328TIP3 OH246151 3.583 -1.307 3.010 + 1328TIP3 H146152 3.651 -1.300 3.081 + 1328TIP3 H246153 3.503 -1.312 3.066 + 1328TIP3 OH246154 4.116 -1.833 2.230 + 1328TIP3 H146155 4.205 -1.847 2.194 + 1328TIP3 H246156 4.137 -1.832 2.325 + 1328TIP3 OH246157 3.684 -2.168 1.896 + 1328TIP3 H146158 3.620 -2.240 1.918 + 1328TIP3 H246159 3.762 -2.219 1.871 + 1328TIP3 OH246160 4.047 -1.974 2.511 + 1328TIP3 H146161 3.978 -1.907 2.500 + 1328TIP3 H246162 4.104 -1.934 2.580 + 1328TIP3 OH246163 4.069 -1.339 1.704 + 1328TIP3 H146164 3.993 -1.384 1.661 + 1328TIP3 H246165 4.042 -1.336 1.798 + 1328TIP3 OH246166 4.188 -1.339 2.818 + 1328TIP3 H146167 4.190 -1.353 2.913 + 1328TIP3 H246168 4.216 -1.247 2.808 + 1328TIP3 OH246169 3.596 -1.395 2.253 + 1328TIP3 H146170 3.685 -1.410 2.219 + 1328TIP3 H246171 3.588 -1.470 2.314 + 1328TIP3 OH246172 4.286 -1.197 1.598 + 1328TIP3 H146173 4.260 -1.107 1.625 + 1328TIP3 H246174 4.209 -1.248 1.630 + 1328TIP3 OH246175 3.305 -1.558 2.804 + 1328TIP3 H146176 3.319 -1.600 2.892 + 1328TIP3 H246177 3.242 -1.619 2.762 + 1329TIP3 OH246178 4.002 -1.607 3.005 + 1329TIP3 H146179 3.972 -1.638 2.919 + 1329TIP3 H246180 4.096 -1.632 3.002 + 1329TIP3 OH246181 3.813 -1.061 2.001 + 1329TIP3 H146182 3.865 -0.980 1.996 + 1329TIP3 H246183 3.726 -1.028 1.978 + 1329TIP3 OH246184 3.422 -1.583 1.458 + 1329TIP3 H146185 3.475 -1.510 1.493 + 1329TIP3 H246186 3.331 -1.557 1.485 + 1329TIP3 OH246187 3.962 -1.318 1.968 + 1329TIP3 H146188 3.977 -1.223 1.980 + 1329TIP3 H246189 3.879 -1.329 2.014 + 1329TIP3 OH246190 4.020 -0.859 2.604 + 1329TIP3 H146191 4.081 -0.788 2.573 + 1329TIP3 H246192 4.080 -0.912 2.658 + 1329TIP3 OH246193 3.857 -0.767 1.927 + 1329TIP3 H146194 3.761 -0.751 1.932 + 1329TIP3 H246195 3.894 -0.680 1.951 + 1329TIP3 OH246196 3.435 -2.093 2.763 + 1329TIP3 H146197 3.342 -2.068 2.744 + 1329TIP3 H246198 3.424 -2.177 2.811 + 1329TIP3 OH246199 3.414 -0.919 2.606 + 1329TIP3 H146200 3.442 -1.010 2.628 + 1329TIP3 H246201 3.431 -0.875 2.690 + 1329TIP3 OH246202 3.992 -1.047 1.309 + 1329TIP3 H146203 4.031 -1.121 1.258 + 1329TIP3 H246204 3.959 -1.093 1.387 + 1329TIP3 OH246205 3.884 -1.107 1.585 + 1329TIP3 H146206 3.939 -1.153 1.649 + 1329TIP3 H246207 3.898 -1.013 1.610 + 1330TIP3 OH246208 3.567 -1.361 1.627 + 1330TIP3 H146209 3.490 -1.321 1.671 + 1330TIP3 H246210 3.609 -1.283 1.586 + 1330TIP3 OH246211 4.341 -2.063 2.670 + 1330TIP3 H146212 4.378 -2.140 2.713 + 1330TIP3 H246213 4.275 -2.102 2.611 + 1330TIP3 OH246214 4.165 -0.940 1.635 + 1330TIP3 H146215 4.089 -0.885 1.658 + 1330TIP3 H246216 4.213 -0.883 1.573 + 1330TIP3 OH246217 4.127 -1.978 1.841 + 1330TIP3 H146218 4.193 -1.908 1.864 + 1330TIP3 H246219 4.104 -2.004 1.933 + 1330TIP3 OH246220 4.169 -1.874 2.759 + 1330TIP3 H146221 4.182 -1.829 2.844 + 1330TIP3 H246222 4.237 -1.944 2.762 + 1330TIP3 OH246223 4.193 -2.268 1.956 + 1330TIP3 H146224 4.166 -2.193 2.014 + 1330TIP3 H246225 4.275 -2.234 1.916 + 1330TIP3 OH246226 3.890 -0.832 1.642 + 1330TIP3 H146227 3.891 -0.751 1.587 + 1330TIP3 H246228 3.883 -0.795 1.732 + 1330TIP3 OH246229 3.773 -2.154 1.584 + 1330TIP3 H146230 3.757 -2.091 1.657 + 1330TIP3 H246231 3.850 -2.204 1.616 + 1330TIP3 OH246232 3.608 -1.079 1.499 + 1330TIP3 H146233 3.682 -1.027 1.535 + 1330TIP3 H246234 3.655 -1.124 1.427 + 1330TIP3 OH246235 3.431 -1.851 1.400 + 1330TIP3 H146236 3.433 -1.754 1.418 + 1330TIP3 H246237 3.341 -1.861 1.365 + 1331TIP3 OH246238 3.519 -2.355 2.286 + 1331TIP3 H146239 3.496 -2.358 2.191 + 1331TIP3 H246240 3.484 -2.439 2.319 + 1331TIP3 OH246241 3.346 -0.712 3.027 + 1331TIP3 H146242 3.404 -0.738 3.100 + 1331TIP3 H246243 3.306 -0.798 3.002 + 1331TIP3 OH246244 3.820 -0.797 3.197 + 1331TIP3 H146245 3.876 -0.867 3.234 + 1331TIP3 H246246 3.789 -0.839 3.115 + 1331TIP3 OH246247 4.230 -0.882 1.342 + 1331TIP3 H146248 4.148 -0.936 1.341 + 1331TIP3 H246249 4.295 -0.952 1.326 + 1331TIP3 OH246250 3.342 -1.349 3.139 + 1331TIP3 H146251 3.350 -1.441 3.108 + 1331TIP3 H246252 3.264 -1.319 3.089 + 1331TIP3 OH246253 3.756 -1.311 1.335 + 1331TIP3 H146254 3.777 -1.368 1.411 + 1331TIP3 H246255 3.843 -1.306 1.291 + 1331TIP3 OH246256 4.008 -1.329 3.073 + 1331TIP3 H146257 3.981 -1.298 2.985 + 1331TIP3 H246258 4.017 -1.425 3.060 + 1331TIP3 OH246259 4.256 -1.174 1.299 + 1331TIP3 H146260 4.281 -1.162 1.392 + 1331TIP3 H246261 4.249 -1.271 1.293 + 1331TIP3 OH246262 3.431 -1.634 3.056 + 1331TIP3 H146263 3.502 -1.700 3.059 + 1331TIP3 H246264 3.422 -1.614 3.150 + 1331TIP3 OH246265 3.870 -1.503 1.581 + 1331TIP3 H146266 3.804 -1.558 1.626 + 1331TIP3 H246267 3.904 -1.565 1.514 + 1332TIP3 OH246268 3.793 -1.723 2.796 + 1332TIP3 H146269 3.743 -1.645 2.827 + 1332TIP3 H246270 3.857 -1.683 2.735 + 1332TIP3 OH246271 3.977 -1.693 1.402 + 1332TIP3 H146272 3.973 -1.696 1.305 + 1332TIP3 H246273 4.073 -1.689 1.417 + 1332TIP3 OH246274 4.281 -1.476 3.165 + 1332TIP3 H146275 4.358 -1.509 3.117 + 1332TIP3 H246276 4.267 -1.549 3.228 + 1332TIP3 OH246277 3.860 -1.991 2.917 + 1332TIP3 H146278 3.861 -2.059 2.847 + 1332TIP3 H246279 3.836 -1.911 2.867 + 1332TIP3 OH246280 3.887 -2.149 2.658 + 1332TIP3 H146281 3.936 -2.091 2.596 + 1332TIP3 H246282 3.795 -2.144 2.625 + 1332TIP3 OH246283 4.059 -1.610 2.686 + 1332TIP3 H146284 4.138 -1.609 2.631 + 1332TIP3 H246285 4.032 -1.516 2.681 + 1332TIP3 OH246286 3.674 -1.810 3.093 + 1332TIP3 H146287 3.618 -1.890 3.094 + 1332TIP3 H246288 3.755 -1.844 3.051 + 1332TIP3 OH246289 3.972 -2.409 2.694 + 1332TIP3 H146290 3.947 -2.316 2.678 + 1332TIP3 H246291 3.904 -2.456 2.642 + 1332TIP3 OH246292 4.102 -1.965 3.070 + 1332TIP3 H146293 4.065 -1.989 3.156 + 1332TIP3 H246294 4.027 -1.987 3.012 + 1332TIP3 OH246295 3.539 -2.065 3.075 + 1332TIP3 H146296 3.529 -2.137 3.010 + 1332TIP3 H246297 3.512 -2.109 3.157 + 1333TIP3 OH246298 3.945 -2.464 2.979 + 1333TIP3 H146299 4.006 -2.539 2.982 + 1333TIP3 H246300 3.940 -2.447 2.883 + 1333TIP3 OH246301 4.036 -2.283 3.172 + 1333TIP3 H146302 4.005 -2.338 3.097 + 1333TIP3 H246303 3.973 -2.210 3.171 + 1333TIP3 OH246304 3.956 -0.579 1.512 + 1333TIP3 H146305 4.052 -0.570 1.520 + 1333TIP3 H246306 3.941 -0.528 1.431 + 1333TIP3 OH246307 3.336 -1.146 1.476 + 1333TIP3 H146308 3.430 -1.119 1.472 + 1333TIP3 H246309 3.331 -1.212 1.404 + 1333TIP3 OH246310 3.229 -0.622 1.926 + 1333TIP3 H146311 3.143 -0.643 1.888 + 1333TIP3 H246312 3.231 -0.679 2.005 + 1333TIP3 OH246313 3.269 -0.836 2.122 + 1333TIP3 H146314 3.247 -0.912 2.181 + 1333TIP3 H246315 3.307 -0.779 2.191 + 1333TIP3 OH246316 3.286 -1.474 2.375 + 1333TIP3 H146317 3.310 -1.477 2.281 + 1333TIP3 H246318 3.372 -1.499 2.417 + 1333TIP3 OH246319 3.239 -1.983 3.028 + 1333TIP3 H146320 3.332 -2.008 3.025 + 1333TIP3 H246321 3.196 -2.070 3.038 + 1333TIP3 OH246322 3.352 -2.110 2.291 + 1333TIP3 H146323 3.392 -2.197 2.308 + 1333TIP3 H246324 3.415 -2.051 2.336 + 1333TIP3 OH246325 3.206 -1.844 2.399 + 1333TIP3 H146326 3.262 -1.842 2.320 + 1333TIP3 H246327 3.238 -1.768 2.448 + 1334TIP3 OH246328 3.251 -2.206 1.809 + 1334TIP3 H146329 3.156 -2.205 1.787 + 1334TIP3 H246330 3.290 -2.148 1.742 + 1334TIP3 OH246331 3.231 -2.325 2.641 + 1334TIP3 H146332 3.170 -2.360 2.708 + 1334TIP3 H246333 3.171 -2.280 2.580 + 1334TIP3 OH246334 3.456 -1.009 3.086 + 1334TIP3 H146335 3.378 -1.011 3.030 + 1334TIP3 H246336 3.419 -1.018 3.175 + 1334TIP3 OH246337 3.741 -0.917 2.652 + 1334TIP3 H146338 3.710 -0.829 2.623 + 1334TIP3 H246339 3.837 -0.905 2.640 + 1334TIP3 OH246340 4.219 -0.747 2.948 + 1334TIP3 H146341 4.204 -0.785 3.036 + 1334TIP3 H246342 4.315 -0.728 2.954 + 1334TIP3 OH246343 3.477 -0.615 2.688 + 1334TIP3 H146344 3.415 -0.551 2.650 + 1334TIP3 H246345 3.449 -0.615 2.780 + 1334TIP3 OH246346 3.726 -0.642 2.545 + 1334TIP3 H146347 3.643 -0.621 2.591 + 1334TIP3 H246348 3.734 -0.569 2.481 + 1334TIP3 OH246349 4.195 -0.662 2.502 + 1334TIP3 H146350 4.180 -0.610 2.421 + 1334TIP3 H246351 4.259 -0.609 2.549 + 1334TIP3 OH246352 3.436 -0.737 2.384 + 1334TIP3 H146353 3.432 -0.783 2.470 + 1334TIP3 H246354 3.514 -0.780 2.344 + 1334TIP3 OH246355 3.635 -0.866 2.225 + 1334TIP3 H146356 3.623 -0.957 2.259 + 1334TIP3 H246357 3.725 -0.845 2.259 + 1335TIP3 OH246358 3.908 -0.815 2.318 + 1335TIP3 H146359 3.934 -0.906 2.298 + 1335TIP3 H246360 3.921 -0.814 2.414 + 1335TIP3 OH246361 4.265 -2.258 2.248 + 1335TIP3 H146362 4.182 -2.306 2.263 + 1335TIP3 H246363 4.299 -2.302 2.170 + 1335TIP3 OH246364 3.482 -2.355 2.000 + 1335TIP3 H146365 3.394 -2.369 1.959 + 1335TIP3 H246366 3.522 -2.443 1.990 + 1335TIP3 OH246367 3.365 -2.407 1.594 + 1335TIP3 H146368 3.411 -2.340 1.540 + 1335TIP3 H246369 3.320 -2.353 1.660 + 1335TIP3 OH246370 3.930 -2.367 1.992 + 1335TIP3 H146371 4.024 -2.344 1.983 + 1335TIP3 H246372 3.925 -2.383 2.087 + 1335TIP3 OH246373 3.333 -0.842 1.729 + 1335TIP3 H146374 3.304 -0.832 1.637 + 1335TIP3 H246375 3.374 -0.754 1.740 + 1335TIP3 OH246376 3.536 -2.221 1.433 + 1335TIP3 H146377 3.593 -2.283 1.384 + 1335TIP3 H246378 3.596 -2.191 1.504 + 1335TIP3 OH246379 4.062 -2.200 1.693 + 1335TIP3 H146380 4.066 -2.270 1.760 + 1335TIP3 H246381 4.073 -2.120 1.747 + 1335TIP3 OH246382 4.264 -0.649 1.518 + 1335TIP3 H146383 4.351 -0.609 1.499 + 1335TIP3 H246384 4.249 -0.705 1.441 + 1335TIP3 OH246385 3.482 -2.323 2.949 + 1335TIP3 H146386 3.415 -2.385 2.984 + 1335TIP3 H246387 3.562 -2.352 2.997 + 1336TIP3 OH246388 3.702 -2.393 3.134 + 1336TIP3 H146389 3.783 -2.430 3.093 + 1336TIP3 H246390 3.661 -2.473 3.171 + 1336TIP3 OH246391 3.518 -0.724 1.394 + 1336TIP3 H146392 3.505 -0.681 1.480 + 1336TIP3 H246393 3.603 -0.770 1.404 + 1336TIP3 OH246394 -3.162 0.403 2.029 + 1336TIP3 H146395 -3.161 0.499 2.040 + 1336TIP3 H246396 -3.236 0.391 1.967 + 1336TIP3 OH246397 -3.276 0.349 2.337 + 1336TIP3 H146398 -3.275 0.293 2.416 + 1336TIP3 H246399 -3.302 0.286 2.269 + 1336TIP3 OH246400 -4.029 0.308 2.501 + 1336TIP3 H146401 -4.033 0.233 2.564 + 1336TIP3 H246402 -3.959 0.361 2.541 + 1336TIP3 OH246403 -2.905 0.622 2.169 + 1336TIP3 H146404 -2.945 0.551 2.222 + 1336TIP3 H246405 -2.880 0.685 2.238 + 1336TIP3 OH246406 -3.960 0.768 2.351 + 1336TIP3 H146407 -3.987 0.678 2.325 + 1336TIP3 H246408 -3.867 0.754 2.372 + 1336TIP3 OH246409 -4.197 0.167 1.799 + 1336TIP3 H146410 -4.223 0.242 1.855 + 1336TIP3 H246411 -4.283 0.132 1.770 + 1336TIP3 OH246412 -4.205 0.345 2.054 + 1336TIP3 H146413 -4.188 0.282 2.126 + 1336TIP3 H246414 -4.118 0.385 2.041 + 1336TIP3 OH246415 -3.201 1.159 2.228 + 1336TIP3 H146416 -3.142 1.089 2.192 + 1336TIP3 H246417 -3.226 1.120 2.312 + 1337TIP3 OH246418 -3.426 0.600 2.393 + 1337TIP3 H146419 -3.393 0.528 2.336 + 1337TIP3 H246420 -3.345 0.615 2.445 + 1337TIP3 OH246421 -2.564 -0.246 2.458 + 1337TIP3 H146422 -2.532 -0.187 2.529 + 1337TIP3 H246423 -2.500 -0.226 2.387 + 1337TIP3 OH246424 -3.096 0.034 2.443 + 1337TIP3 H146425 -3.084 -0.062 2.451 + 1337TIP3 H246426 -3.105 0.043 2.346 + 1337TIP3 OH246427 -3.798 -0.166 2.152 + 1337TIP3 H146428 -3.785 -0.080 2.106 + 1337TIP3 H246429 -3.834 -0.220 2.080 + 1337TIP3 OH246430 -3.036 -0.162 1.973 + 1337TIP3 H146431 -2.971 -0.206 2.031 + 1337TIP3 H246432 -2.978 -0.120 1.908 + 1337TIP3 OH246433 -4.138 0.109 2.206 + 1337TIP3 H146434 -4.079 0.066 2.270 + 1337TIP3 H246435 -4.121 0.055 2.127 + 1337TIP3 OH246436 -3.592 0.245 2.149 + 1337TIP3 H146437 -3.521 0.191 2.188 + 1337TIP3 H246438 -3.643 0.178 2.100 + 1337TIP3 OH246439 -2.485 -0.108 2.706 + 1337TIP3 H146440 -2.548 -0.039 2.678 + 1337TIP3 H246441 -2.508 -0.116 2.800 + 1337TIP3 OH246442 -3.916 -0.282 2.568 + 1337TIP3 H146443 -3.963 -0.239 2.496 + 1337TIP3 H246444 -3.980 -0.269 2.641 + 1337TIP3 OH246445 -3.171 0.689 1.909 + 1337TIP3 H146446 -3.200 0.666 1.821 + 1337TIP3 H246447 -3.216 0.774 1.925 + 1338TIP3 OH246448 -3.625 0.501 2.580 + 1338TIP3 H146449 -3.698 0.561 2.606 + 1338TIP3 H246450 -3.563 0.562 2.536 + 1338TIP3 OH246451 -2.840 -0.229 2.184 + 1338TIP3 H146452 -2.881 -0.283 2.252 + 1338TIP3 H246453 -2.781 -0.172 2.236 + 1338TIP3 OH246454 -3.958 -0.077 2.359 + 1338TIP3 H146455 -3.892 -0.023 2.407 + 1338TIP3 H246456 -3.901 -0.118 2.291 + 1338TIP3 OH246457 -3.828 0.688 2.652 + 1338TIP3 H146458 -3.830 0.780 2.622 + 1338TIP3 H246459 -3.916 0.680 2.694 + 1338TIP3 OH246460 -4.181 0.654 1.743 + 1338TIP3 H146461 -4.262 0.667 1.690 + 1338TIP3 H246462 -4.196 0.710 1.821 + 1338TIP3 OH246463 -2.849 0.803 2.418 + 1338TIP3 H146464 -2.946 0.813 2.421 + 1338TIP3 H246465 -2.823 0.890 2.381 + 1338TIP3 OH246466 -2.817 -0.317 2.573 + 1338TIP3 H146467 -2.895 -0.275 2.531 + 1338TIP3 H246468 -2.745 -0.291 2.512 + 1338TIP3 OH246469 -3.507 -0.544 2.273 + 1338TIP3 H146470 -3.532 -0.639 2.279 + 1338TIP3 H246471 -3.586 -0.502 2.314 + 1338TIP3 OH246472 -3.020 0.998 2.076 + 1338TIP3 H146473 -2.973 0.918 2.044 + 1338TIP3 H246474 -2.952 1.066 2.063 + 1338TIP3 OH246475 -2.878 0.785 1.939 + 1338TIP3 H146476 -2.923 0.738 1.867 + 1338TIP3 H246477 -2.882 0.719 2.010 + 1339TIP3 OH246478 -2.720 0.666 2.786 + 1339TIP3 H146479 -2.733 0.601 2.714 + 1339TIP3 H246480 -2.711 0.750 2.737 + 1339TIP3 OH246481 -3.291 0.355 1.756 + 1339TIP3 H146482 -3.357 0.415 1.717 + 1339TIP3 H246483 -3.220 0.358 1.690 + 1339TIP3 OH246484 -3.269 0.175 1.463 + 1339TIP3 H146485 -3.198 0.204 1.523 + 1339TIP3 H246486 -3.217 0.121 1.401 + 1339TIP3 OH246487 -2.539 0.289 2.573 + 1339TIP3 H146488 -2.616 0.350 2.585 + 1339TIP3 H246489 -2.503 0.321 2.489 + 1339TIP3 OH246490 -2.940 0.361 1.866 + 1339TIP3 H146491 -3.011 0.380 1.931 + 1339TIP3 H246492 -2.886 0.297 1.914 + 1339TIP3 OH246493 -2.959 0.211 2.747 + 1339TIP3 H146494 -2.956 0.292 2.799 + 1339TIP3 H246495 -3.026 0.238 2.681 + 1339TIP3 OH246496 -3.783 0.435 2.040 + 1339TIP3 H146497 -3.816 0.390 1.959 + 1339TIP3 H246498 -3.719 0.370 2.074 + 1339TIP3 OH246499 -3.648 0.774 2.315 + 1339TIP3 H146500 -3.658 0.736 2.227 + 1339TIP3 H246501 -3.568 0.727 2.347 + 1339TIP3 OH246502 -3.729 0.320 2.387 + 1339TIP3 H146503 -3.669 0.319 2.310 + 1339TIP3 H246504 -3.686 0.382 2.448 + 1339TIP3 OH246505 -3.132 0.867 2.448 + 1339TIP3 H146506 -3.129 0.933 2.519 + 1339TIP3 H246507 -3.154 0.784 2.495 + 1340TIP3 OH246508 -3.641 0.747 2.872 + 1340TIP3 H146509 -3.693 0.812 2.923 + 1340TIP3 H246510 -3.706 0.720 2.804 + 1340TIP3 OH246511 -3.044 0.292 1.610 + 1340TIP3 H146512 -2.993 0.315 1.691 + 1340TIP3 H246513 -2.993 0.342 1.542 + 1340TIP3 OH246514 -3.956 0.385 2.786 + 1340TIP3 H146515 -3.948 0.441 2.865 + 1340TIP3 H246516 -4.053 0.376 2.779 + 1340TIP3 OH246517 -3.304 0.961 1.966 + 1340TIP3 H146518 -3.255 0.990 2.043 + 1340TIP3 H246519 -3.352 1.041 1.939 + 1340TIP3 OH246520 -3.837 0.966 2.957 + 1340TIP3 H146521 -3.843 0.966 2.860 + 1340TIP3 H246522 -3.928 0.944 2.985 + 1340TIP3 OH246523 -2.708 -0.468 1.521 + 1340TIP3 H146524 -2.738 -0.534 1.585 + 1340TIP3 H246525 -2.611 -0.468 1.534 + 1340TIP3 OH246526 -3.894 0.307 1.795 + 1340TIP3 H146527 -3.916 0.382 1.738 + 1340TIP3 H246528 -3.964 0.243 1.772 + 1340TIP3 OH246529 -2.556 0.882 1.414 + 1340TIP3 H146530 -2.543 0.975 1.439 + 1340TIP3 H246531 -2.467 0.845 1.426 + 1340TIP3 OH246532 -4.271 0.592 2.645 + 1340TIP3 H146533 -4.286 0.554 2.557 + 1340TIP3 H246534 -4.305 0.520 2.702 + 1340TIP3 OH246535 -4.279 0.877 2.340 + 1340TIP3 H146536 -4.200 0.824 2.359 + 1340TIP3 H246537 -4.298 0.915 2.426 + 1341TIP3 OH246538 -2.442 0.925 2.937 + 1341TIP3 H146539 -2.456 0.829 2.924 + 1341TIP3 H246540 -2.532 0.953 2.964 + 1341TIP3 OH246541 -3.378 0.853 2.816 + 1341TIP3 H146542 -3.370 0.934 2.870 + 1341TIP3 H246543 -3.468 0.821 2.840 + 1341TIP3 OH246544 -3.349 1.233 1.814 + 1341TIP3 H146545 -3.348 1.243 1.718 + 1341TIP3 H246546 -3.344 1.325 1.846 + 1341TIP3 OH246547 -3.977 1.146 1.977 + 1341TIP3 H146548 -3.951 1.106 2.062 + 1341TIP3 H246549 -4.051 1.088 1.952 + 1341TIP3 OH246550 -3.020 1.175 1.532 + 1341TIP3 H146551 -2.960 1.110 1.489 + 1341TIP3 H246552 -3.024 1.138 1.623 + 1341TIP3 OH246553 -3.080 1.119 1.813 + 1341TIP3 H146554 -3.175 1.131 1.827 + 1341TIP3 H246555 -3.062 1.046 1.875 + 1341TIP3 OH246556 -2.762 0.067 2.977 + 1341TIP3 H146557 -2.816 0.104 2.906 + 1341TIP3 H246558 -2.759 -0.028 2.952 + 1341TIP3 OH246559 -4.072 0.731 2.795 + 1341TIP3 H146560 -4.041 0.674 2.868 + 1341TIP3 H246561 -4.146 0.680 2.756 + 1341TIP3 OH246562 -3.747 -0.422 2.371 + 1341TIP3 H146563 -3.830 -0.441 2.325 + 1341TIP3 H246564 -3.776 -0.353 2.432 + 1341TIP3 OH246565 -3.312 -0.462 2.735 + 1341TIP3 H146566 -3.262 -0.519 2.797 + 1341TIP3 H246567 -3.403 -0.497 2.743 + 1342TIP3 OH246568 -2.993 -0.085 2.785 + 1342TIP3 H146569 -3.055 -0.102 2.858 + 1342TIP3 H246570 -3.003 0.011 2.770 + 1342TIP3 OH246571 -2.892 0.412 1.407 + 1342TIP3 H146572 -2.909 0.384 1.316 + 1342TIP3 H246573 -2.795 0.425 1.405 + 1342TIP3 OH246574 -3.762 0.057 2.507 + 1342TIP3 H146575 -3.817 0.066 2.586 + 1342TIP3 H246576 -3.757 0.148 2.473 + 1342TIP3 OH246577 -3.770 0.063 1.997 + 1342TIP3 H146578 -3.866 0.057 1.980 + 1342TIP3 H246579 -3.735 0.045 1.908 + 1342TIP3 OH246580 -3.188 0.115 1.862 + 1342TIP3 H146581 -3.228 0.199 1.832 + 1342TIP3 H246582 -3.130 0.094 1.786 + 1342TIP3 OH246583 -3.288 0.141 3.011 + 1342TIP3 H146584 -3.338 0.065 3.046 + 1342TIP3 H246585 -3.200 0.127 3.051 + 1342TIP3 OH246586 -3.119 0.051 2.144 + 1342TIP3 H146587 -3.144 0.109 2.070 + 1342TIP3 H246588 -3.099 -0.030 2.093 + 1342TIP3 OH246589 -4.029 0.075 2.694 + 1342TIP3 H146590 -3.994 0.106 2.778 + 1342TIP3 H246591 -4.052 -0.017 2.716 + 1342TIP3 OH246592 -3.683 -0.166 1.356 + 1342TIP3 H146593 -3.729 -0.208 1.431 + 1342TIP3 H246594 -3.756 -0.149 1.294 + 1342TIP3 OH246595 -4.319 -0.167 2.056 + 1342TIP3 H146596 -4.304 -0.191 2.149 + 1342TIP3 H246597 -4.279 -0.241 2.010 + 1343TIP3 OH246598 -4.211 -0.118 1.645 + 1343TIP3 H146599 -4.151 -0.095 1.571 + 1343TIP3 H246600 -4.295 -0.089 1.609 + 1343TIP3 OH246601 -3.210 0.227 2.599 + 1343TIP3 H146602 -3.167 0.155 2.548 + 1343TIP3 H246603 -3.245 0.178 2.675 + 1343TIP3 OH246604 -3.492 -0.178 2.096 + 1343TIP3 H146605 -3.585 -0.182 2.122 + 1343TIP3 H246606 -3.447 -0.198 2.180 + 1343TIP3 OH246607 -4.039 -0.051 1.964 + 1343TIP3 H146608 -4.113 -0.035 1.903 + 1343TIP3 H246609 -4.003 -0.134 1.929 + 1343TIP3 OH246610 -3.667 -0.029 1.729 + 1343TIP3 H146611 -3.573 -0.007 1.742 + 1343TIP3 H246612 -3.697 0.037 1.664 + 1343TIP3 OH246613 -3.053 -0.266 2.401 + 1343TIP3 H146614 -3.115 -0.265 2.477 + 1343TIP3 H246615 -3.113 -0.295 2.330 + 1343TIP3 OH246616 -3.824 0.106 1.514 + 1343TIP3 H146617 -3.885 0.074 1.446 + 1343TIP3 H246618 -3.744 0.124 1.462 + 1343TIP3 OH246619 -2.751 1.313 3.067 + 1343TIP3 H146620 -2.728 1.360 2.986 + 1343TIP3 H246621 -2.685 1.347 3.129 + 1343TIP3 OH246622 -3.952 0.578 3.009 + 1343TIP3 H146623 -3.889 0.580 3.086 + 1343TIP3 H246624 -4.036 0.586 3.058 + 1343TIP3 OH246625 -3.386 0.077 2.280 + 1343TIP3 H146626 -3.313 0.031 2.235 + 1343TIP3 H246627 -3.404 0.017 2.355 + 1344TIP3 OH246628 -3.875 -0.286 1.908 + 1344TIP3 H146629 -3.921 -0.371 1.914 + 1344TIP3 H246630 -3.795 -0.310 1.859 + 1344TIP3 OH246631 -3.488 -0.073 2.502 + 1344TIP3 H146632 -3.569 -0.020 2.509 + 1344TIP3 H246633 -3.441 -0.053 2.586 + 1344TIP3 OH246634 -3.478 0.562 1.696 + 1344TIP3 H146635 -3.553 0.510 1.661 + 1344TIP3 H246636 -3.496 0.565 1.793 + 1344TIP3 OH246637 -2.754 0.477 2.569 + 1344TIP3 H146638 -2.706 0.531 2.504 + 1344TIP3 H246639 -2.841 0.465 2.525 + 1344TIP3 OH246640 -3.312 0.563 2.828 + 1344TIP3 H146641 -3.342 0.529 2.913 + 1344TIP3 H246642 -3.344 0.655 2.830 + 1344TIP3 OH246643 -3.020 -0.010 1.651 + 1344TIP3 H146644 -2.933 -0.028 1.689 + 1344TIP3 H246645 -3.003 0.068 1.596 + 1344TIP3 OH246646 -3.977 0.493 2.266 + 1344TIP3 H146647 -3.908 0.485 2.197 + 1344TIP3 H246648 -3.961 0.413 2.319 + 1344TIP3 OH246649 -3.239 0.699 1.587 + 1344TIP3 H146650 -3.264 0.784 1.628 + 1344TIP3 H246651 -3.312 0.642 1.616 + 1344TIP3 OH246652 -4.241 0.346 2.832 + 1344TIP3 H146653 -4.229 0.281 2.903 + 1344TIP3 H246654 -4.288 0.294 2.764 + 1344TIP3 OH246655 -3.540 0.280 3.003 + 1344TIP3 H146656 -3.574 0.253 2.916 + 1344TIP3 H246657 -3.448 0.250 2.996 + 1345TIP3 OH246658 -3.087 0.824 2.775 + 1345TIP3 H146659 -3.184 0.830 2.770 + 1345TIP3 H246660 -3.070 0.847 2.868 + 1345TIP3 OH246661 -2.540 0.030 1.663 + 1345TIP3 H146662 -2.582 0.000 1.581 + 1345TIP3 H246663 -2.524 0.124 1.641 + 1345TIP3 OH246664 -2.487 0.634 2.931 + 1345TIP3 H146665 -2.582 0.653 2.913 + 1345TIP3 H246666 -2.456 0.613 2.841 + 1345TIP3 OH246667 -2.720 0.884 1.656 + 1345TIP3 H146668 -2.733 0.808 1.715 + 1345TIP3 H246669 -2.654 0.851 1.594 + 1345TIP3 OH246670 -2.989 0.421 2.400 + 1345TIP3 H146671 -3.082 0.406 2.377 + 1345TIP3 H246672 -2.946 0.348 2.350 + 1345TIP3 OH246673 -3.728 0.830 2.007 + 1345TIP3 H146674 -3.684 0.916 1.993 + 1345TIP3 H246675 -3.818 0.850 1.980 + 1345TIP3 OH246676 -4.154 0.324 1.476 + 1345TIP3 H146677 -4.081 0.378 1.513 + 1345TIP3 H246678 -4.229 0.384 1.489 + 1345TIP3 OH246679 -3.543 0.598 1.966 + 1345TIP3 H146680 -3.573 0.689 1.982 + 1345TIP3 H246681 -3.614 0.548 2.009 + 1345TIP3 OH246682 -3.526 1.026 2.603 + 1345TIP3 H146683 -3.467 1.097 2.571 + 1345TIP3 H246684 -3.465 0.974 2.658 + 1345TIP3 OH246685 -3.681 1.119 1.927 + 1345TIP3 H146686 -3.776 1.136 1.932 + 1345TIP3 H246687 -3.645 1.207 1.949 + 1346TIP3 OH246688 -3.185 0.600 2.559 + 1346TIP3 H146689 -3.215 0.571 2.647 + 1346TIP3 H246690 -3.112 0.538 2.542 + 1346TIP3 OH246691 -2.971 0.730 1.453 + 1346TIP3 H146692 -2.927 0.685 1.527 + 1346TIP3 H246693 -3.063 0.713 1.479 + 1346TIP3 OH246694 -2.891 1.056 2.797 + 1346TIP3 H146695 -2.967 1.010 2.756 + 1346TIP3 H246696 -2.882 1.136 2.742 + 1346TIP3 OH246697 -2.499 1.155 1.505 + 1346TIP3 H146698 -2.425 1.212 1.479 + 1346TIP3 H246699 -2.572 1.219 1.502 + 1346TIP3 OH246700 -4.100 -0.199 2.767 + 1346TIP3 H146701 -4.188 -0.161 2.751 + 1346TIP3 H246702 -4.120 -0.283 2.813 + 1346TIP3 OH246703 -2.869 0.593 1.692 + 1346TIP3 H146704 -2.895 0.517 1.748 + 1346TIP3 H246705 -2.772 0.590 1.698 + 1346TIP3 OH246706 -4.129 0.973 2.613 + 1346TIP3 H146707 -4.110 0.878 2.619 + 1346TIP3 H246708 -4.094 1.002 2.698 + 1346TIP3 OH246709 -3.544 0.835 1.309 + 1346TIP3 H146710 -3.517 0.757 1.257 + 1346TIP3 H246711 -3.587 0.793 1.385 + 1346TIP3 OH246712 -3.663 0.785 1.582 + 1346TIP3 H146713 -3.609 0.732 1.643 + 1346TIP3 H246714 -3.646 0.877 1.613 + 1346TIP3 OH246715 -3.986 0.527 1.613 + 1346TIP3 H146716 -4.055 0.568 1.670 + 1346TIP3 H246717 -3.936 0.607 1.589 + 1347TIP3 OH246718 -3.209 -0.224 2.620 + 1347TIP3 H146719 -3.150 -0.199 2.692 + 1347TIP3 H246720 -3.260 -0.298 2.660 + 1347TIP3 OH246721 -3.366 0.949 1.643 + 1347TIP3 H146722 -3.448 0.999 1.660 + 1347TIP3 H246723 -3.329 0.997 1.567 + 1347TIP3 OH246724 -3.398 -0.074 1.842 + 1347TIP3 H146725 -3.319 -0.018 1.857 + 1347TIP3 H246726 -3.427 -0.092 1.934 + 1347TIP3 OH246727 -3.365 0.013 2.757 + 1347TIP3 H146728 -3.362 0.063 2.840 + 1347TIP3 H246729 -3.316 -0.067 2.781 + 1347TIP3 OH246730 -3.309 -0.363 1.924 + 1347TIP3 H146731 -3.353 -0.311 1.994 + 1347TIP3 H246732 -3.239 -0.301 1.899 + 1347TIP3 OH246733 -3.646 1.056 1.642 + 1347TIP3 H146734 -3.652 1.137 1.587 + 1347TIP3 H246735 -3.657 1.092 1.732 + 1347TIP3 OH246736 -3.776 -0.278 1.596 + 1347TIP3 H146737 -3.763 -0.196 1.648 + 1347TIP3 H246738 -3.693 -0.327 1.612 + 1347TIP3 OH246739 -2.740 -0.186 2.845 + 1347TIP3 H146740 -2.836 -0.174 2.832 + 1347TIP3 H246741 -2.716 -0.212 2.755 + 1347TIP3 OH246742 -2.890 0.197 2.245 + 1347TIP3 H146743 -2.971 0.149 2.217 + 1347TIP3 H246744 -2.841 0.126 2.292 + 1347TIP3 OH246745 -3.931 0.812 1.497 + 1347TIP3 H146746 -3.854 0.855 1.537 + 1347TIP3 H246747 -3.887 0.757 1.431 + 1348TIP3 OH246748 -4.117 0.026 1.418 + 1348TIP3 H146749 -4.111 0.122 1.431 + 1348TIP3 H246750 -4.187 0.015 1.352 + 1348TIP3 OH246751 -2.787 1.082 2.388 + 1348TIP3 H146752 -2.805 1.163 2.336 + 1348TIP3 H246753 -2.695 1.097 2.412 + 1348TIP3 OH246754 -4.028 -0.474 2.283 + 1348TIP3 H146755 -4.061 -0.479 2.192 + 1348TIP3 H246756 -4.065 -0.555 2.324 + 1348TIP3 OH246757 -4.135 0.904 1.918 + 1348TIP3 H146758 -4.225 0.932 1.899 + 1348TIP3 H246759 -4.092 0.920 1.834 + 1348TIP3 OH246760 -4.213 1.167 3.032 + 1348TIP3 H146761 -4.151 1.169 3.106 + 1348TIP3 H246762 -4.215 1.071 3.019 + 1348TIP3 OH246763 -3.723 1.084 3.203 + 1348TIP3 H146764 -3.658 1.017 3.229 + 1348TIP3 H246765 -3.750 1.051 3.116 + 1348TIP3 OH246766 -3.323 1.004 1.356 + 1348TIP3 H146767 -3.402 0.946 1.349 + 1348TIP3 H246768 -3.255 0.943 1.325 + 1348TIP3 OH246769 -3.080 0.906 3.064 + 1348TIP3 H146770 -3.118 0.825 3.103 + 1348TIP3 H246771 -3.011 0.929 3.129 + 1348TIP3 OH246772 -2.859 0.996 1.371 + 1348TIP3 H146773 -2.842 0.916 1.424 + 1348TIP3 H246774 -2.779 0.999 1.316 + 1348TIP3 OH246775 -4.199 0.572 3.095 + 1348TIP3 H146776 -4.188 0.481 3.065 + 1348TIP3 H246777 -4.287 0.595 3.063 + 1349TIP3 OH246778 -3.781 0.579 1.343 + 1349TIP3 H146779 -3.762 0.519 1.417 + 1349TIP3 H246780 -3.697 0.575 1.294 + 1349TIP3 OH246781 -3.539 0.556 3.075 + 1349TIP3 H146782 -3.569 0.587 2.987 + 1349TIP3 H246783 -3.530 0.459 3.061 + 1349TIP3 OH246784 -3.254 0.715 1.303 + 1349TIP3 H146785 -3.259 0.707 1.400 + 1349TIP3 H246786 -3.258 0.619 1.280 + 1349TIP3 OH246787 -3.001 0.517 2.813 + 1349TIP3 H146788 -2.924 0.572 2.795 + 1349TIP3 H246789 -3.073 0.583 2.812 + 1349TIP3 OH246790 -4.134 0.246 3.072 + 1349TIP3 H146791 -4.056 0.188 3.060 + 1349TIP3 H246792 -4.124 0.269 3.165 + 1349TIP3 OH246793 -3.674 0.387 1.576 + 1349TIP3 H146794 -3.733 0.335 1.631 + 1349TIP3 H246795 -3.642 0.319 1.512 + 1349TIP3 OH246796 -3.752 0.162 2.798 + 1349TIP3 H146797 -3.803 0.242 2.820 + 1349TIP3 H246798 -3.683 0.199 2.739 + 1349TIP3 OH246799 -3.576 0.188 1.401 + 1349TIP3 H146800 -3.580 0.197 1.304 + 1349TIP3 H246801 -3.479 0.187 1.416 + 1349TIP3 OH246802 -3.219 0.434 3.156 + 1349TIP3 H146803 -3.129 0.414 3.128 + 1349TIP3 H246804 -3.245 0.350 3.197 + 1349TIP3 OH246805 -2.631 0.442 1.331 + 1349TIP3 H146806 -2.629 0.394 1.247 + 1349TIP3 H246807 -2.592 0.526 1.305 + 1350TIP3 OH246808 -3.692 -0.108 2.916 + 1350TIP3 H146809 -3.684 -0.175 2.845 + 1350TIP3 H246810 -3.711 -0.028 2.865 + 1350TIP3 OH246811 -3.659 -0.257 2.663 + 1350TIP3 H146812 -3.606 -0.212 2.595 + 1350TIP3 H246813 -3.749 -0.257 2.625 + 1350TIP3 OH246814 -3.503 0.284 2.700 + 1350TIP3 H146815 -3.419 0.274 2.653 + 1350TIP3 H246816 -3.532 0.372 2.669 + 1350TIP3 OH246817 -3.044 0.077 3.177 + 1350TIP3 H146818 -3.024 -0.017 3.194 + 1350TIP3 H246819 -2.955 0.115 3.175 + 1350TIP3 OH246820 -2.947 0.357 3.027 + 1350TIP3 H146821 -2.982 0.417 2.959 + 1350TIP3 H246822 -2.859 0.338 2.990 + 1350TIP3 OH246823 -3.880 0.084 3.087 + 1350TIP3 H146824 -3.931 0.001 3.094 + 1350TIP3 H246825 -3.796 0.052 3.049 + 1350TIP3 OH246826 -3.581 -0.526 2.688 + 1350TIP3 H146827 -3.610 -0.434 2.676 + 1350TIP3 H246828 -3.652 -0.578 2.648 + 1350TIP3 OH246829 -3.460 -0.069 3.074 + 1350TIP3 H146830 -3.492 -0.094 3.162 + 1350TIP3 H246831 -3.539 -0.091 3.021 + 1350TIP3 OH246832 -3.204 -0.166 2.960 + 1350TIP3 H146833 -3.292 -0.163 3.001 + 1350TIP3 H246834 -3.158 -0.230 3.018 + 1350TIP3 OH246835 -3.019 -0.317 3.133 + 1350TIP3 H146836 -3.036 -0.413 3.148 + 1350TIP3 H246837 -3.039 -0.278 3.220 + 1351TIP3 OH246838 -4.018 -0.174 3.076 + 1351TIP3 H146839 -4.016 -0.249 3.014 + 1351TIP3 H246840 -4.030 -0.220 3.162 + 1351TIP3 OH246841 -3.595 -0.577 2.977 + 1351TIP3 H146842 -3.542 -0.659 2.982 + 1351TIP3 H246843 -3.604 -0.570 2.880 + 1351TIP3 OH246844 -3.504 -0.390 3.162 + 1351TIP3 H146845 -3.529 -0.452 3.091 + 1351TIP3 H246846 -3.579 -0.329 3.163 + 1351TIP3 OH246847 -3.600 1.311 1.511 + 1351TIP3 H146848 -3.504 1.323 1.522 + 1351TIP3 H246849 -3.614 1.356 1.426 + 1351TIP3 OH246850 -4.199 0.801 1.421 + 1351TIP3 H146851 -4.119 0.793 1.476 + 1351TIP3 H246852 -4.215 0.709 1.395 + 1351TIP3 OH246853 -4.299 1.087 2.146 + 1351TIP3 H146854 -4.281 0.996 2.179 + 1351TIP3 H246855 -4.242 1.135 2.208 + 1351TIP3 OH246856 -2.516 1.197 2.438 + 1351TIP3 H146857 -2.500 1.198 2.533 + 1351TIP3 H246858 -2.432 1.229 2.403 + 1351TIP3 OH246859 -2.526 1.144 2.724 + 1351TIP3 H146860 -2.578 1.069 2.690 + 1351TIP3 H246861 -2.471 1.099 2.790 + 1351TIP3 OH246862 -2.725 0.686 3.154 + 1351TIP3 H146863 -2.814 0.693 3.193 + 1351TIP3 H246864 -2.681 0.766 3.186 + 1351TIP3 OH246865 -2.586 0.592 1.734 + 1351TIP3 H146866 -2.491 0.616 1.741 + 1351TIP3 H246867 -2.587 0.512 1.788 + 1352TIP3 OH246868 -2.498 0.367 1.982 + 1352TIP3 H146869 -2.586 0.336 1.954 + 1352TIP3 H246870 -2.502 0.340 2.074 + 1352TIP3 OH246871 -2.561 0.617 2.426 + 1352TIP3 H146872 -2.501 0.573 2.363 + 1352TIP3 H246873 -2.556 0.709 2.395 + 1352TIP3 OH246874 -2.696 0.913 2.647 + 1352TIP3 H146875 -2.768 0.955 2.698 + 1352TIP3 H246876 -2.743 0.879 2.569 + 1352TIP3 OH246877 -2.536 0.318 1.602 + 1352TIP3 H146878 -2.555 0.332 1.508 + 1352TIP3 H246879 -2.491 0.400 1.624 + 1352TIP3 OH246880 -2.698 0.084 1.398 + 1352TIP3 H146881 -2.645 0.126 1.328 + 1352TIP3 H246882 -2.704 -0.007 1.366 + 1352TIP3 OH246883 -2.735 0.191 2.006 + 1352TIP3 H146884 -2.746 0.098 1.980 + 1352TIP3 H246885 -2.781 0.195 2.091 + 1352TIP3 OH246886 -4.254 0.439 2.406 + 1352TIP3 H146887 -4.224 0.455 2.316 + 1352TIP3 H246888 -4.175 0.395 2.444 + 1352TIP3 OH246889 -2.686 0.378 2.917 + 1352TIP3 H146890 -2.614 0.316 2.939 + 1352TIP3 H246891 -2.640 0.462 2.905 + 1352TIP3 OH246892 -2.530 0.189 3.040 + 1352TIP3 H146893 -2.609 0.136 3.020 + 1352TIP3 H246894 -2.460 0.121 3.040 + 1352TIP3 OH246895 -2.739 -0.203 1.360 + 1352TIP3 H146896 -2.669 -0.259 1.395 + 1352TIP3 H246897 -2.806 -0.269 1.341 + 1353TIP3 OH246898 -2.775 -0.056 1.820 + 1353TIP3 H146899 -2.744 -0.149 1.829 + 1353TIP3 H246900 -2.697 -0.017 1.777 + 1353TIP3 OH246901 -2.737 0.000 2.367 + 1353TIP3 H146902 -2.640 0.001 2.364 + 1353TIP3 H246903 -2.751 -0.002 2.463 + 1353TIP3 OH246904 -2.719 0.067 2.649 + 1353TIP3 H146905 -2.805 0.103 2.677 + 1353TIP3 H246906 -2.669 0.147 2.628 + 1353TIP3 OH246907 -4.285 -0.070 3.010 + 1353TIP3 H146908 -4.196 -0.108 3.015 + 1353TIP3 H246909 -4.343 -0.145 3.032 + 1353TIP3 OH246910 -2.464 -0.518 3.179 + 1353TIP3 H146911 -2.422 -0.588 3.125 + 1353TIP3 H246912 -2.461 -0.441 3.120 + 1353TIP3 OH246913 -2.713 -0.333 1.827 + 1353TIP3 H146914 -2.701 -0.373 1.914 + 1353TIP3 H246915 -2.785 -0.386 1.789 + 1353TIP3 OH246916 -4.194 -0.213 2.322 + 1353TIP3 H146917 -4.161 -0.304 2.327 + 1353TIP3 H246918 -4.115 -0.161 2.344 + 1353TIP3 OH246919 -4.332 0.047 2.412 + 1353TIP3 H146920 -4.294 -0.010 2.344 + 1353TIP3 H246921 -4.304 0.134 2.382 + 1353TIP3 OH246922 -2.526 -0.313 3.002 + 1353TIP3 H146923 -2.614 -0.273 3.009 + 1353TIP3 H246924 -2.539 -0.369 2.924 + 1353TIP3 OH246925 -4.315 -0.341 1.763 + 1353TIP3 H146926 -4.399 -0.311 1.726 + 1353TIP3 H246927 -4.255 -0.269 1.731 + 1354TIP3 OH246928 -2.828 1.205 2.018 + 1354TIP3 H146929 -2.782 1.180 1.936 + 1354TIP3 H246930 -2.755 1.241 2.070 + 1354TIP3 OH246931 -4.294 -0.442 2.598 + 1354TIP3 H146932 -4.360 -0.453 2.671 + 1354TIP3 H246933 -4.343 -0.397 2.527 + 1354TIP3 OH246934 -4.121 0.910 3.068 + 1354TIP3 H146935 -4.168 0.844 3.016 + 1354TIP3 H246936 -4.133 0.875 3.159 + 1354TIP3 OH246937 -3.802 0.974 2.659 + 1354TIP3 H146938 -3.831 1.059 2.622 + 1354TIP3 H246939 -3.706 0.981 2.641 + 1354TIP3 OH246940 -3.353 1.106 2.959 + 1354TIP3 H146941 -3.338 1.086 3.053 + 1354TIP3 H246942 -3.268 1.148 2.934 + 1354TIP3 OH246943 -3.123 1.249 2.882 + 1354TIP3 H146944 -3.053 1.185 2.861 + 1354TIP3 H246945 -3.092 1.281 2.969 + 1354TIP3 OH246946 -2.644 -0.491 2.801 + 1354TIP3 H146947 -2.722 -0.468 2.747 + 1354TIP3 H246948 -2.622 -0.581 2.767 + 1354TIP3 OH246949 -4.066 1.288 2.680 + 1354TIP3 H146950 -4.139 1.332 2.633 + 1354TIP3 H246951 -4.102 1.280 2.768 + 1354TIP3 OH246952 -3.812 1.247 2.554 + 1354TIP3 H146953 -3.901 1.266 2.591 + 1354TIP3 H246954 -3.806 1.309 2.479 + 1354TIP3 OH246955 -3.349 1.246 2.506 + 1354TIP3 H146956 -3.381 1.290 2.425 + 1354TIP3 H246957 -3.331 1.322 2.565 + 1355TIP3 OH246958 -3.109 1.118 2.593 + 1355TIP3 H146959 -3.194 1.154 2.562 + 1355TIP3 H246960 -3.052 1.196 2.592 + 1355TIP3 OH246961 -2.856 1.290 2.612 + 1355TIP3 H146962 -2.859 1.386 2.591 + 1355TIP3 H246963 -2.826 1.254 2.526 + 1355TIP3 OH246964 -4.124 1.153 2.379 + 1355TIP3 H146965 -4.134 1.107 2.465 + 1355TIP3 H246966 -4.047 1.106 2.341 + 1355TIP3 OH246967 -3.911 1.028 2.233 + 1355TIP3 H146968 -3.926 0.935 2.259 + 1355TIP3 H246969 -3.819 1.043 2.263 + 1355TIP3 OH246970 -3.632 1.070 2.318 + 1355TIP3 H146971 -3.613 0.977 2.294 + 1355TIP3 H246972 -3.623 1.066 2.414 + 1355TIP3 OH246973 -3.297 -0.340 2.240 + 1355TIP3 H146974 -3.363 -0.409 2.264 + 1355TIP3 H246975 -3.235 -0.391 2.185 + 1355TIP3 OH246976 -2.806 -0.589 2.275 + 1355TIP3 H146977 -2.724 -0.542 2.250 + 1355TIP3 H246978 -2.875 -0.531 2.239 + 1355TIP3 OH246979 -2.595 -0.429 2.087 + 1355TIP3 H146980 -2.527 -0.475 2.033 + 1355TIP3 H246981 -2.560 -0.338 2.089 + 1355TIP3 OH246982 -4.106 -0.483 1.999 + 1355TIP3 H146983 -4.180 -0.513 1.944 + 1355TIP3 H246984 -4.045 -0.559 1.992 + 1355TIP3 OH246985 -4.182 -0.523 1.583 + 1355TIP3 H146986 -4.130 -0.457 1.533 + 1355TIP3 H246987 -4.233 -0.465 1.643 + 1356TIP3 OH246988 -3.613 -0.481 1.988 + 1356TIP3 H146989 -3.519 -0.463 1.979 + 1356TIP3 H246990 -3.620 -0.493 2.083 + 1356TIP3 OH246991 -3.049 -0.491 2.135 + 1356TIP3 H146992 -3.042 -0.491 2.039 + 1356TIP3 H246993 -3.092 -0.576 2.154 + 1356TIP3 OH246994 -2.954 -0.479 1.742 + 1356TIP3 H146995 -3.033 -0.446 1.698 + 1356TIP3 H246996 -2.972 -0.575 1.747 + 1356TIP3 OH246997 -4.200 1.081 1.694 + 1356TIP3 H146998 -4.248 1.061 1.613 + 1356TIP3 H246999 -4.182 1.176 1.683 + 1356TIP3 OH247000 -4.006 -0.337 1.441 + 1356TIP3 H147001 -3.949 -0.391 1.384 + 1356TIP3 H247002 -3.941 -0.307 1.508 + 1356TIP3 OH247003 -3.446 -0.313 1.659 + 1356TIP3 H147004 -3.464 -0.379 1.728 + 1356TIP3 H247005 -3.469 -0.231 1.706 + 1356TIP3 OH247006 -3.295 1.258 1.520 + 1356TIP3 H147007 -3.197 1.258 1.516 + 1356TIP3 H247008 -3.314 1.192 1.451 + 1356TIP3 OH247009 -2.648 1.162 1.779 + 1356TIP3 H147010 -2.667 1.077 1.734 + 1356TIP3 H247011 -2.642 1.221 1.702 + 1356TIP3 OH247012 -4.079 -0.440 2.958 + 1356TIP3 H147013 -4.125 -0.518 2.993 + 1356TIP3 H247014 -3.987 -0.461 2.982 + 1356TIP3 OH247015 -3.841 -0.507 3.132 + 1356TIP3 H147016 -3.760 -0.544 3.091 + 1356TIP3 H247017 -3.877 -0.586 3.174 + 1357TIP3 OH247018 -4.013 1.178 1.385 + 1357TIP3 H147019 -4.037 1.200 1.476 + 1357TIP3 H247020 -3.941 1.113 1.397 + 1357TIP3 OH247021 -3.031 -0.598 3.146 + 1357TIP3 H147022 -3.028 -0.638 3.235 + 1357TIP3 H247023 -2.937 -0.600 3.121 + 1357TIP3 OH247024 -2.691 1.038 3.013 + 1357TIP3 H147025 -2.767 1.018 2.956 + 1357TIP3 H247026 -2.711 1.131 3.037 + 1357TIP3 OH247027 -1.392 0.352 2.317 + 1357TIP3 H147028 -1.394 0.321 2.409 + 1357TIP3 H247029 -1.430 0.273 2.274 + 1357TIP3 OH247030 -2.142 0.311 2.499 + 1357TIP3 H147031 -2.151 0.235 2.559 + 1357TIP3 H247032 -2.073 0.362 2.544 + 1357TIP3 OH247033 -0.994 0.631 2.183 + 1357TIP3 H147034 -1.013 0.555 2.239 + 1357TIP3 H247035 -0.948 0.690 2.243 + 1357TIP3 OH247036 -2.066 0.764 2.360 + 1357TIP3 H147037 -2.100 0.678 2.331 + 1357TIP3 H247038 -1.973 0.745 2.378 + 1357TIP3 OH247039 -2.377 0.129 1.910 + 1357TIP3 H147040 -2.434 0.202 1.881 + 1357TIP3 H247041 -2.422 0.054 1.866 + 1357TIP3 OH247042 -1.314 1.155 2.221 + 1357TIP3 H147043 -1.268 1.079 2.182 + 1357TIP3 H247044 -1.335 1.125 2.310 + 1357TIP3 OH247045 -0.664 -0.265 2.467 + 1357TIP3 H147046 -0.671 -0.200 2.540 + 1357TIP3 H247047 -0.711 -0.225 2.393 + 1358TIP3 OH247048 -1.207 0.028 2.432 + 1358TIP3 H147049 -1.223 -0.066 2.451 + 1358TIP3 H247050 -1.233 0.035 2.339 + 1358TIP3 OH247051 -1.923 -0.164 2.152 + 1358TIP3 H147052 -1.891 -0.088 2.102 + 1358TIP3 H247053 -1.943 -0.226 2.079 + 1358TIP3 OH247054 -2.236 0.157 2.176 + 1358TIP3 H147055 -2.191 0.106 2.246 + 1358TIP3 H247056 -2.252 0.086 2.110 + 1358TIP3 OH247057 -1.713 0.249 2.161 + 1358TIP3 H147058 -1.644 0.187 2.192 + 1358TIP3 H247059 -1.763 0.190 2.101 + 1358TIP3 OH247060 -0.607 -0.100 2.691 + 1358TIP3 H147061 -0.676 -0.031 2.684 + 1358TIP3 H247062 -0.607 -0.115 2.787 + 1358TIP3 OH247063 -2.031 -0.279 2.565 + 1358TIP3 H147064 -2.076 -0.237 2.490 + 1358TIP3 H247065 -2.098 -0.270 2.635 + 1358TIP3 OH247066 -2.078 -0.071 2.356 + 1358TIP3 H147067 -2.006 -0.023 2.401 + 1358TIP3 H247068 -2.026 -0.113 2.283 + 1358TIP3 OH247069 -1.896 0.662 2.637 + 1358TIP3 H147070 -1.926 0.750 2.608 + 1358TIP3 H247071 -1.979 0.628 2.674 + 1358TIP3 OH247072 -2.319 0.650 1.750 + 1358TIP3 H147073 -2.290 0.666 1.659 + 1358TIP3 H247074 -2.280 0.723 1.800 + 1358TIP3 OH247075 -0.968 0.811 2.436 + 1358TIP3 H147076 -1.061 0.827 2.421 + 1358TIP3 H247077 -0.928 0.891 2.396 + 1359TIP3 OH247078 -0.958 -0.299 2.569 + 1359TIP3 H147079 -1.029 -0.245 2.533 + 1359TIP3 H247080 -0.895 -0.305 2.496 + 1359TIP3 OH247081 -1.604 -0.529 2.278 + 1359TIP3 H147082 -1.628 -0.623 2.267 + 1359TIP3 H247083 -1.687 -0.489 2.309 + 1359TIP3 OH247084 -1.126 0.971 2.044 + 1359TIP3 H147085 -1.061 0.902 2.024 + 1359TIP3 H247086 -1.069 1.049 2.053 + 1359TIP3 OH247087 -0.846 0.665 2.784 + 1359TIP3 H147088 -0.844 0.600 2.711 + 1359TIP3 H247089 -0.823 0.748 2.739 + 1359TIP3 OH247090 -0.657 0.264 2.553 + 1359TIP3 H147091 -0.714 0.340 2.575 + 1359TIP3 H247092 -0.600 0.301 2.483 + 1359TIP3 OH247093 -1.077 0.210 2.744 + 1359TIP3 H147094 -1.073 0.286 2.803 + 1359TIP3 H247095 -1.144 0.242 2.681 + 1359TIP3 OH247096 -1.918 0.428 2.045 + 1359TIP3 H147097 -1.917 0.412 1.950 + 1359TIP3 H247098 -1.839 0.379 2.075 + 1359TIP3 OH247099 -1.746 0.746 2.324 + 1359TIP3 H147100 -1.775 0.739 2.231 + 1359TIP3 H247101 -1.653 0.722 2.317 + 1359TIP3 OH247102 -1.843 0.351 2.397 + 1359TIP3 H147103 -1.787 0.326 2.321 + 1359TIP3 H247104 -1.781 0.386 2.461 + 1359TIP3 OH247105 -1.284 0.862 2.463 + 1359TIP3 H147106 -1.251 0.939 2.512 + 1359TIP3 H247107 -1.249 0.787 2.512 + 1360TIP3 OH247108 -1.753 0.752 2.865 + 1360TIP3 H147109 -1.799 0.812 2.927 + 1360TIP3 H247110 -1.828 0.723 2.810 + 1360TIP3 OH247111 -2.062 0.395 2.779 + 1360TIP3 H147112 -2.059 0.444 2.864 + 1360TIP3 H247113 -2.157 0.372 2.776 + 1360TIP3 OH247114 -1.947 0.963 2.950 + 1360TIP3 H147115 -1.963 0.960 2.855 + 1360TIP3 H247116 -2.034 0.939 2.987 + 1360TIP3 OH247117 -2.397 0.575 2.664 + 1360TIP3 H147118 -2.451 0.576 2.583 + 1360TIP3 H247119 -2.389 0.479 2.683 + 1360TIP3 OH247120 -2.395 0.866 2.361 + 1360TIP3 H147121 -2.301 0.843 2.371 + 1360TIP3 H247122 -2.406 0.930 2.432 + 1360TIP3 OH247123 -0.556 0.933 2.938 + 1360TIP3 H147124 -0.563 0.839 2.917 + 1360TIP3 H247125 -0.648 0.954 2.966 + 1360TIP3 OH247126 -1.500 0.846 2.808 + 1360TIP3 H147127 -1.473 0.922 2.865 + 1360TIP3 H247128 -1.579 0.816 2.860 + 1360TIP3 OH247129 -2.071 1.154 1.968 + 1360TIP3 H147130 -2.049 1.100 2.046 + 1360TIP3 H247131 -2.142 1.104 1.927 + 1360TIP3 OH247132 -1.162 1.150 1.798 + 1360TIP3 H147133 -1.258 1.155 1.800 + 1360TIP3 H247134 -1.144 1.072 1.853 + 1360TIP3 OH247135 -0.877 0.064 2.977 + 1360TIP3 H147136 -0.931 0.101 2.905 + 1360TIP3 H247137 -0.873 -0.030 2.951 + 1361TIP3 OH247138 -2.159 0.727 2.777 + 1361TIP3 H147139 -2.139 0.689 2.865 + 1361TIP3 H247140 -2.241 0.680 2.754 + 1361TIP3 OH247141 -1.859 -0.423 2.371 + 1361TIP3 H147142 -1.932 -0.433 2.309 + 1361TIP3 H247143 -1.892 -0.350 2.425 + 1361TIP3 OH247144 -1.425 -0.455 2.738 + 1361TIP3 H147145 -1.371 -0.511 2.797 + 1361TIP3 H247146 -1.514 -0.495 2.745 + 1361TIP3 OH247147 -1.109 -0.083 2.784 + 1361TIP3 H147148 -1.171 -0.105 2.856 + 1361TIP3 H247149 -1.120 0.013 2.774 + 1361TIP3 OH247150 -1.875 0.063 2.508 + 1361TIP3 H147151 -1.937 0.061 2.583 + 1361TIP3 H247152 -1.883 0.154 2.476 + 1361TIP3 OH247153 -1.891 0.089 1.986 + 1361TIP3 H147154 -1.978 0.047 1.971 + 1361TIP3 H247155 -1.846 0.066 1.901 + 1361TIP3 OH247156 -1.404 0.140 3.007 + 1361TIP3 H147157 -1.453 0.064 3.046 + 1361TIP3 H247158 -1.316 0.128 3.048 + 1361TIP3 OH247159 -1.238 0.099 2.098 + 1361TIP3 H147160 -1.265 0.127 2.010 + 1361TIP3 H247161 -1.249 0.002 2.091 + 1361TIP3 OH247162 -2.140 0.076 2.691 + 1361TIP3 H147163 -2.115 0.100 2.781 + 1361TIP3 H247164 -2.177 -0.013 2.706 + 1361TIP3 OH247165 -2.456 -0.174 2.058 + 1361TIP3 H147166 -2.389 -0.196 2.125 + 1361TIP3 H247167 -2.420 -0.212 1.975 + 1362TIP3 OH247168 -2.276 -0.120 1.592 + 1362TIP3 H147169 -2.252 -0.061 1.520 + 1362TIP3 H247170 -2.364 -0.092 1.617 + 1362TIP3 OH247171 -1.336 0.226 2.595 + 1362TIP3 H147172 -1.290 0.157 2.542 + 1362TIP3 H247173 -1.370 0.171 2.668 + 1362TIP3 OH247174 -1.593 -0.146 2.124 + 1362TIP3 H147175 -1.665 -0.189 2.076 + 1362TIP3 H247176 -1.556 -0.220 2.173 + 1362TIP3 OH247177 -2.142 -0.058 1.964 + 1362TIP3 H147178 -2.226 -0.048 1.916 + 1362TIP3 H247179 -2.106 -0.139 1.922 + 1362TIP3 OH247180 -1.776 0.034 1.739 + 1362TIP3 H147181 -1.721 -0.046 1.723 + 1362TIP3 H247182 -1.792 0.065 1.649 + 1362TIP3 OH247183 -0.873 1.313 3.066 + 1362TIP3 H147184 -0.849 1.359 2.984 + 1362TIP3 H247185 -0.803 1.344 3.126 + 1362TIP3 OH247186 -2.072 0.576 3.010 + 1362TIP3 H147187 -2.008 0.584 3.084 + 1362TIP3 H247188 -2.155 0.575 3.062 + 1362TIP3 OH247189 -1.488 0.086 2.290 + 1362TIP3 H147190 -1.469 0.024 2.217 + 1362TIP3 H247191 -1.519 0.022 2.358 + 1362TIP3 OH247192 -1.965 -0.278 1.889 + 1362TIP3 H147193 -2.013 -0.361 1.878 + 1362TIP3 H247194 -1.884 -0.296 1.838 + 1362TIP3 OH247195 -1.600 -0.071 2.501 + 1362TIP3 H147196 -1.685 -0.025 2.509 + 1362TIP3 H247197 -1.556 -0.052 2.585 + 1363TIP3 OH247198 -0.870 0.474 2.568 + 1363TIP3 H147199 -0.815 0.525 2.505 + 1363TIP3 H247200 -0.954 0.465 2.518 + 1363TIP3 OH247201 -2.106 0.464 2.239 + 1363TIP3 H147202 -2.023 0.474 2.188 + 1363TIP3 H247203 -2.075 0.412 2.315 + 1363TIP3 OH247204 -2.351 0.327 2.804 + 1363TIP3 H147205 -2.337 0.285 2.891 + 1363TIP3 H247206 -2.414 0.267 2.761 + 1363TIP3 OH247207 -1.654 0.285 2.997 + 1363TIP3 H147208 -1.694 0.245 2.918 + 1363TIP3 H247209 -1.564 0.249 2.995 + 1363TIP3 OH247210 -1.208 0.806 2.777 + 1363TIP3 H147211 -1.299 0.838 2.777 + 1363TIP3 H247212 -1.175 0.843 2.862 + 1363TIP3 OH247213 -0.606 0.627 2.934 + 1363TIP3 H147214 -0.698 0.653 2.914 + 1363TIP3 H247215 -0.569 0.614 2.844 + 1363TIP3 OH247216 -1.107 0.417 2.384 + 1363TIP3 H147217 -1.196 0.379 2.377 + 1363TIP3 H247218 -1.055 0.345 2.341 + 1363TIP3 OH247219 -1.837 0.839 2.035 + 1363TIP3 H147220 -1.780 0.882 1.970 + 1363TIP3 H247221 -1.920 0.836 1.985 + 1363TIP3 OH247222 -2.239 0.347 1.526 + 1363TIP3 H147223 -2.161 0.386 1.484 + 1363TIP3 H247224 -2.295 0.333 1.449 + 1363TIP3 OH247225 -1.626 1.002 2.600 + 1363TIP3 H147226 -1.591 1.087 2.567 + 1363TIP3 H247227 -1.578 0.996 2.684 + 1364TIP3 OH247228 -1.336 0.588 2.583 + 1364TIP3 H147229 -1.294 0.580 2.670 + 1364TIP3 H247230 -1.269 0.542 2.530 + 1364TIP3 OH247231 -1.008 1.057 2.797 + 1364TIP3 H147232 -1.083 1.019 2.748 + 1364TIP3 H247233 -0.990 1.138 2.746 + 1364TIP3 OH247234 -2.220 -0.205 2.765 + 1364TIP3 H147235 -2.312 -0.182 2.740 + 1364TIP3 H247236 -2.233 -0.292 2.806 + 1364TIP3 OH247237 -2.241 0.966 2.607 + 1364TIP3 H147238 -2.211 0.877 2.630 + 1364TIP3 H247239 -2.228 1.012 2.691 + 1364TIP3 OH247240 -1.313 -0.211 2.601 + 1364TIP3 H147241 -1.248 -0.199 2.671 + 1364TIP3 H247242 -1.363 -0.289 2.632 + 1364TIP3 OH247243 -1.467 0.023 2.755 + 1364TIP3 H147244 -1.465 0.062 2.845 + 1364TIP3 H247245 -1.429 -0.064 2.773 + 1364TIP3 OH247246 -0.854 -0.185 2.843 + 1364TIP3 H147247 -0.950 -0.177 2.830 + 1364TIP3 H247248 -0.829 -0.215 2.754 + 1364TIP3 OH247249 -1.006 0.202 2.239 + 1364TIP3 H147250 -1.071 0.159 2.181 + 1364TIP3 H247251 -0.948 0.126 2.260 + 1364TIP3 OH247252 -0.903 1.085 2.390 + 1364TIP3 H147253 -0.919 1.166 2.337 + 1364TIP3 H247254 -0.809 1.099 2.411 + 1364TIP3 OH247255 -2.146 -0.466 2.287 + 1364TIP3 H147256 -2.159 -0.470 2.189 + 1364TIP3 H247257 -2.178 -0.553 2.315 + 1365TIP3 OH247258 -2.247 0.879 1.918 + 1365TIP3 H147259 -2.328 0.929 1.933 + 1365TIP3 H247260 -2.210 0.926 1.842 + 1365TIP3 OH247261 -2.308 1.171 3.025 + 1365TIP3 H147262 -2.254 1.147 3.103 + 1365TIP3 H247263 -2.351 1.086 3.003 + 1365TIP3 OH247264 -1.842 1.081 3.205 + 1365TIP3 H147265 -1.775 1.016 3.230 + 1365TIP3 H247266 -1.864 1.052 3.115 + 1365TIP3 OH247267 -1.191 0.902 3.060 + 1365TIP3 H147268 -1.231 0.825 3.105 + 1365TIP3 H247269 -1.125 0.930 3.126 + 1365TIP3 OH247270 -2.314 0.536 3.139 + 1365TIP3 H147271 -2.307 0.445 3.109 + 1365TIP3 H247272 -2.392 0.567 3.089 + 1365TIP3 OH247273 -1.650 0.559 3.074 + 1365TIP3 H147274 -1.683 0.586 2.987 + 1365TIP3 H247275 -1.634 0.463 3.061 + 1365TIP3 OH247276 -1.129 0.528 2.803 + 1365TIP3 H147277 -1.037 0.557 2.790 + 1365TIP3 H247278 -1.170 0.614 2.825 + 1365TIP3 OH247279 -2.228 0.252 3.057 + 1365TIP3 H147280 -2.158 0.184 3.058 + 1365TIP3 H247281 -2.235 0.272 3.151 + 1365TIP3 OH247282 -1.860 0.161 2.802 + 1365TIP3 H147283 -1.917 0.236 2.828 + 1365TIP3 H247284 -1.805 0.201 2.733 + 1365TIP3 OH247285 -1.332 0.432 3.156 + 1365TIP3 H147286 -1.240 0.412 3.133 + 1365TIP3 H247287 -1.358 0.350 3.201 + 1366TIP3 OH247288 -1.803 -0.108 2.915 + 1366TIP3 H147289 -1.799 -0.176 2.845 + 1366TIP3 H247290 -1.829 -0.029 2.864 + 1366TIP3 OH247291 -1.774 -0.255 2.663 + 1366TIP3 H147292 -1.721 -0.217 2.591 + 1366TIP3 H247293 -1.863 -0.262 2.624 + 1366TIP3 OH247294 -1.632 0.308 2.671 + 1366TIP3 H147295 -1.542 0.279 2.646 + 1366TIP3 H247296 -1.636 0.398 2.641 + 1366TIP3 OH247297 -1.158 0.077 3.176 + 1366TIP3 H147298 -1.140 -0.016 3.194 + 1366TIP3 H247299 -1.069 0.114 3.175 + 1366TIP3 OH247300 -1.061 0.356 3.023 + 1366TIP3 H147301 -1.095 0.419 2.957 + 1366TIP3 H247302 -0.970 0.341 2.990 + 1366TIP3 OH247303 -1.983 0.078 3.089 + 1366TIP3 H147304 -2.038 -0.002 3.097 + 1366TIP3 H247305 -1.901 0.041 3.052 + 1366TIP3 OH247306 -1.699 -0.527 2.697 + 1366TIP3 H147307 -1.717 -0.433 2.680 + 1366TIP3 H247308 -1.766 -0.571 2.640 + 1366TIP3 OH247309 -1.575 -0.067 3.073 + 1366TIP3 H147310 -1.606 -0.093 3.162 + 1366TIP3 H247311 -1.655 -0.092 3.021 + 1366TIP3 OH247312 -1.319 -0.164 2.961 + 1366TIP3 H147313 -1.408 -0.166 3.001 + 1366TIP3 H247314 -1.272 -0.230 3.016 + 1366TIP3 OH247315 -1.133 -0.317 3.133 + 1366TIP3 H147316 -1.149 -0.412 3.146 + 1366TIP3 H247317 -1.154 -0.277 3.219 + 1367TIP3 OH247318 -2.117 -0.177 3.078 + 1367TIP3 H147319 -2.126 -0.249 3.013 + 1367TIP3 H247320 -2.139 -0.225 3.161 + 1367TIP3 OH247321 -1.714 -0.578 2.977 + 1367TIP3 H147322 -1.656 -0.656 2.982 + 1367TIP3 H247323 -1.717 -0.565 2.881 + 1367TIP3 OH247324 -1.619 -0.390 3.161 + 1367TIP3 H147325 -1.647 -0.451 3.090 + 1367TIP3 H247326 -1.693 -0.327 3.165 + 1367TIP3 OH247327 -1.674 1.264 1.510 + 1367TIP3 H147328 -1.587 1.302 1.525 + 1367TIP3 H247329 -1.711 1.329 1.448 + 1367TIP3 OH247330 -2.291 0.741 1.451 + 1367TIP3 H147331 -2.193 0.741 1.449 + 1367TIP3 H247332 -2.303 0.664 1.392 + 1367TIP3 OH247333 -2.427 1.273 1.941 + 1367TIP3 H147334 -2.496 1.232 1.884 + 1367TIP3 H247335 -2.412 1.202 2.006 + 1367TIP3 OH247336 -2.386 1.074 2.138 + 1367TIP3 H147337 -2.413 0.986 2.168 + 1367TIP3 H247338 -2.348 1.109 2.220 + 1367TIP3 OH247339 -0.632 1.203 2.440 + 1367TIP3 H147340 -0.606 1.192 2.533 + 1367TIP3 H247341 -0.547 1.223 2.397 + 1367TIP3 OH247342 -0.642 1.160 2.735 + 1367TIP3 H147343 -0.691 1.085 2.696 + 1367TIP3 H247344 -0.583 1.111 2.794 + 1367TIP3 OH247345 -0.841 0.689 3.152 + 1367TIP3 H147346 -0.928 0.694 3.196 + 1367TIP3 H247347 -0.795 0.766 3.186 + 1368TIP3 OH247348 -0.680 0.618 2.421 + 1368TIP3 H147349 -0.621 0.570 2.361 + 1368TIP3 H247350 -0.661 0.710 2.397 + 1368TIP3 OH247351 -0.804 0.919 2.655 + 1368TIP3 H147352 -0.877 0.958 2.707 + 1368TIP3 H247353 -0.850 0.882 2.578 + 1368TIP3 OH247354 -2.376 0.395 2.358 + 1368TIP3 H147355 -2.330 0.381 2.275 + 1368TIP3 H247356 -2.300 0.384 2.418 + 1368TIP3 OH247357 -0.800 0.379 2.917 + 1368TIP3 H147358 -0.729 0.315 2.939 + 1368TIP3 H247359 -0.750 0.461 2.905 + 1368TIP3 OH247360 -0.647 0.189 3.044 + 1368TIP3 H147361 -0.724 0.132 3.021 + 1368TIP3 H247362 -0.574 0.125 3.040 + 1368TIP3 OH247363 -0.841 -0.013 2.374 + 1368TIP3 H147364 -0.765 0.045 2.367 + 1368TIP3 H247365 -0.870 0.004 2.466 + 1368TIP3 OH247366 -0.836 0.067 2.646 + 1368TIP3 H147367 -0.922 0.102 2.678 + 1368TIP3 H247368 -0.786 0.149 2.629 + 1368TIP3 OH247369 -2.384 -0.057 3.016 + 1368TIP3 H147370 -2.291 -0.085 3.022 + 1368TIP3 H247371 -2.430 -0.143 3.023 + 1368TIP3 OH247372 -0.587 -0.533 3.186 + 1368TIP3 H147373 -0.539 -0.599 3.132 + 1368TIP3 H247374 -0.579 -0.453 3.131 + 1368TIP3 OH247375 -2.310 -0.226 2.303 + 1368TIP3 H147376 -2.264 -0.312 2.301 + 1368TIP3 H247377 -2.238 -0.166 2.329 + 1369TIP3 OH247378 -2.451 0.044 2.404 + 1369TIP3 H147379 -2.400 0.029 2.324 + 1369TIP3 H247380 -2.412 0.124 2.441 + 1369TIP3 OH247381 -0.641 -0.320 3.011 + 1369TIP3 H147382 -0.729 -0.278 3.012 + 1369TIP3 H247383 -0.649 -0.373 2.930 + 1369TIP3 OH247384 -2.403 -0.290 1.810 + 1369TIP3 H147385 -2.488 -0.327 1.780 + 1369TIP3 H247386 -2.348 -0.310 1.732 + 1369TIP3 OH247387 -0.934 1.187 2.018 + 1369TIP3 H147388 -0.892 1.171 1.931 + 1369TIP3 H247389 -0.867 1.241 2.061 + 1369TIP3 OH247390 -2.400 -0.431 2.626 + 1369TIP3 H147391 -2.471 -0.466 2.681 + 1369TIP3 H247392 -2.450 -0.384 2.557 + 1369TIP3 OH247393 -2.200 0.869 3.081 + 1369TIP3 H147394 -2.280 0.877 3.025 + 1369TIP3 H247395 -2.237 0.868 3.170 + 1369TIP3 OH247396 -1.915 0.956 2.650 + 1369TIP3 H147397 -1.958 1.039 2.622 + 1369TIP3 H247398 -1.821 0.980 2.637 + 1369TIP3 OH247399 -1.461 1.091 2.951 + 1369TIP3 H147400 -1.455 1.083 3.048 + 1369TIP3 H247401 -1.383 1.147 2.932 + 1369TIP3 OH247402 -1.238 1.247 2.882 + 1369TIP3 H147403 -1.166 1.185 2.863 + 1369TIP3 H247404 -1.210 1.282 2.968 + 1369TIP3 OH247405 -0.758 -0.493 2.803 + 1369TIP3 H147406 -0.838 -0.480 2.750 + 1369TIP3 H247407 -0.730 -0.581 2.771 + 1370TIP3 OH247408 -2.180 1.266 2.691 + 1370TIP3 H147409 -2.238 1.330 2.646 + 1370TIP3 H247410 -2.211 1.275 2.782 + 1370TIP3 OH247411 -1.926 1.240 2.546 + 1370TIP3 H147412 -2.012 1.259 2.589 + 1370TIP3 H247413 -1.923 1.310 2.478 + 1370TIP3 OH247414 -1.455 1.244 2.501 + 1370TIP3 H147415 -1.493 1.288 2.422 + 1370TIP3 H247416 -1.447 1.320 2.562 + 1370TIP3 OH247417 -1.221 1.113 2.586 + 1370TIP3 H147418 -1.306 1.154 2.559 + 1370TIP3 H247419 -1.163 1.191 2.590 + 1370TIP3 OH247420 -0.967 1.291 2.617 + 1370TIP3 H147421 -0.972 1.386 2.595 + 1370TIP3 H247422 -0.936 1.256 2.532 + 1370TIP3 OH247423 -2.223 1.149 2.386 + 1370TIP3 H147424 -2.224 1.099 2.471 + 1370TIP3 H247425 -2.148 1.105 2.340 + 1370TIP3 OH247426 -2.023 1.022 2.239 + 1370TIP3 H147427 -2.034 0.927 2.259 + 1370TIP3 H247428 -1.930 1.038 2.261 + 1370TIP3 OH247429 -1.741 1.070 2.315 + 1370TIP3 H147430 -1.725 0.977 2.295 + 1370TIP3 H247431 -1.747 1.070 2.412 + 1370TIP3 OH247432 -0.877 -0.482 2.243 + 1370TIP3 H147433 -0.823 -0.489 2.163 + 1370TIP3 H247434 -0.964 -0.516 2.215 + 1370TIP3 OH247435 -2.188 -0.476 2.013 + 1370TIP3 H147436 -2.260 -0.479 1.946 + 1370TIP3 H247437 -2.132 -0.548 1.981 + 1371TIP3 OH247438 -1.734 -0.475 1.997 + 1371TIP3 H147439 -1.650 -0.451 1.956 + 1371TIP3 H247440 -1.707 -0.511 2.083 + 1371TIP3 OH247441 -1.153 -0.555 2.196 + 1371TIP3 H147442 -1.183 -0.501 2.123 + 1371TIP3 H247443 -1.222 -0.624 2.199 + 1371TIP3 OH247444 -2.277 1.078 1.715 + 1371TIP3 H147445 -2.333 1.057 1.638 + 1371TIP3 H247446 -2.281 1.175 1.713 + 1371TIP3 OH247447 -0.767 1.120 1.763 + 1371TIP3 H147448 -0.779 1.052 1.697 + 1371TIP3 H247449 -0.757 1.199 1.706 + 1371TIP3 OH247450 -2.196 -0.445 2.958 + 1371TIP3 H147451 -2.237 -0.527 2.992 + 1371TIP3 H247452 -2.103 -0.460 2.982 + 1371TIP3 OH247453 -1.957 -0.507 3.131 + 1371TIP3 H147454 -1.875 -0.543 3.090 + 1371TIP3 H247455 -1.992 -0.587 3.173 + 1371TIP3 OH247456 -2.148 1.175 1.391 + 1371TIP3 H147457 -2.157 1.197 1.485 + 1371TIP3 H247458 -2.068 1.119 1.390 + 1371TIP3 OH247459 -1.146 -0.596 3.147 + 1371TIP3 H147460 -1.141 -0.637 3.235 + 1371TIP3 H247461 -1.053 -0.600 3.118 + 1371TIP3 OH247462 -0.808 1.036 3.015 + 1371TIP3 H147463 -0.885 1.018 2.958 + 1371TIP3 H247464 -0.825 1.129 3.039 + 1371TIP3 OH247465 0.633 0.396 2.034 + 1371TIP3 H147466 0.647 0.491 2.037 + 1371TIP3 H247467 0.567 0.389 1.964 + 1372TIP3 OH247468 0.489 0.349 2.333 + 1372TIP3 H147469 0.496 0.294 2.413 + 1372TIP3 H247470 0.474 0.282 2.264 + 1372TIP3 OH247471 -0.261 0.313 2.502 + 1372TIP3 H147472 -0.259 0.237 2.563 + 1372TIP3 H247473 -0.187 0.366 2.536 + 1372TIP3 OH247474 0.866 0.626 2.164 + 1372TIP3 H147475 0.829 0.552 2.214 + 1372TIP3 H247476 0.891 0.687 2.234 + 1372TIP3 OH247477 -0.194 0.763 2.352 + 1372TIP3 H147478 -0.213 0.672 2.322 + 1372TIP3 H247479 -0.099 0.757 2.371 + 1372TIP3 OH247480 0.575 1.160 2.226 + 1372TIP3 H147481 0.631 1.086 2.195 + 1372TIP3 H247482 0.544 1.127 2.311 + 1372TIP3 OH247483 0.344 0.598 2.395 + 1372TIP3 H147484 0.378 0.529 2.335 + 1372TIP3 H247485 0.426 0.615 2.445 + 1372TIP3 OH247486 1.214 -0.250 2.459 + 1372TIP3 H147487 1.236 -0.186 2.529 + 1372TIP3 H247488 1.272 -0.219 2.387 + 1372TIP3 OH247489 0.673 0.035 2.437 + 1372TIP3 H147490 0.686 -0.062 2.443 + 1372TIP3 H247491 0.665 0.046 2.341 + 1372TIP3 OH247492 -0.011 -0.138 2.151 + 1372TIP3 H147493 -0.012 -0.079 2.076 + 1372TIP3 H247494 0.008 -0.226 2.111 + 1372TIP3 OH247495 0.766 -0.134 1.986 + 1372TIP3 H147496 0.827 -0.189 2.038 + 1372TIP3 H247497 0.820 -0.105 1.912 + 1373TIP3 OH247498 0.155 0.222 2.121 + 1373TIP3 H147499 0.236 0.186 2.162 + 1373TIP3 H247500 0.100 0.143 2.116 + 1373TIP3 OH247501 1.287 -0.109 2.707 + 1373TIP3 H147502 1.226 -0.039 2.677 + 1373TIP3 H247503 1.261 -0.116 2.800 + 1373TIP3 OH247504 -0.151 -0.271 2.552 + 1373TIP3 H147505 -0.182 -0.209 2.484 + 1373TIP3 H247506 -0.215 -0.256 2.624 + 1373TIP3 OH247507 0.603 0.691 1.896 + 1373TIP3 H147508 0.576 0.674 1.804 + 1373TIP3 H247509 0.552 0.771 1.916 + 1373TIP3 OH247510 0.142 0.500 2.578 + 1373TIP3 H147511 0.072 0.563 2.603 + 1373TIP3 H247512 0.208 0.559 2.536 + 1373TIP3 OH247513 0.958 -0.238 2.188 + 1373TIP3 H147514 0.899 -0.282 2.250 + 1373TIP3 H247515 0.989 -0.162 2.241 + 1373TIP3 OH247516 -0.184 -0.074 2.346 + 1373TIP3 H147517 -0.122 -0.017 2.396 + 1373TIP3 H247518 -0.119 -0.110 2.280 + 1373TIP3 OH247519 -0.058 0.688 2.651 + 1373TIP3 H147520 -0.058 0.780 2.620 + 1373TIP3 H247521 -0.143 0.686 2.700 + 1373TIP3 OH247522 0.921 0.804 2.421 + 1373TIP3 H147523 0.824 0.815 2.421 + 1373TIP3 H247524 0.948 0.889 2.382 + 1373TIP3 OH247525 0.953 -0.305 2.572 + 1373TIP3 H147526 0.874 -0.270 2.525 + 1373TIP3 H247527 1.024 -0.290 2.507 + 1374TIP3 OH247528 0.269 -0.532 2.288 + 1374TIP3 H147529 0.249 -0.621 2.255 + 1374TIP3 H247530 0.180 -0.492 2.290 + 1374TIP3 OH247531 0.755 0.994 2.076 + 1374TIP3 H147532 0.798 0.915 2.038 + 1374TIP3 H247533 0.820 1.064 2.055 + 1374TIP3 OH247534 0.900 0.774 1.906 + 1374TIP3 H147535 0.833 0.729 1.854 + 1374TIP3 H247536 0.901 0.720 1.987 + 1374TIP3 OH247537 1.052 0.666 2.786 + 1374TIP3 H147538 1.039 0.602 2.714 + 1374TIP3 H247539 1.061 0.750 2.737 + 1374TIP3 OH247540 0.511 0.368 1.742 + 1374TIP3 H147541 0.435 0.424 1.720 + 1374TIP3 H247542 0.570 0.392 1.670 + 1374TIP3 OH247543 1.228 0.285 2.576 + 1374TIP3 H147544 1.155 0.349 2.585 + 1374TIP3 H247545 1.274 0.321 2.498 + 1374TIP3 OH247546 0.810 0.210 2.748 + 1374TIP3 H147547 0.816 0.293 2.798 + 1374TIP3 H247548 0.748 0.239 2.679 + 1374TIP3 OH247549 -0.029 0.415 2.017 + 1374TIP3 H147550 -0.044 0.387 1.926 + 1374TIP3 H247551 0.045 0.359 2.046 + 1374TIP3 OH247552 0.116 0.766 2.316 + 1374TIP3 H147553 0.116 0.739 2.223 + 1374TIP3 H247554 0.199 0.727 2.348 + 1374TIP3 OH247555 0.044 0.316 2.384 + 1374TIP3 H147556 0.105 0.323 2.308 + 1374TIP3 H247557 0.084 0.379 2.447 + 1375TIP3 OH247558 0.640 0.866 2.447 + 1375TIP3 H147559 0.641 0.935 2.516 + 1375TIP3 H247560 0.618 0.785 2.496 + 1375TIP3 OH247561 0.130 0.743 2.876 + 1375TIP3 H147562 0.083 0.815 2.922 + 1375TIP3 H247563 0.068 0.723 2.803 + 1375TIP3 OH247564 -0.179 0.389 2.784 + 1375TIP3 H147565 -0.171 0.445 2.864 + 1375TIP3 H247566 -0.275 0.375 2.779 + 1375TIP3 OH247567 0.464 0.961 1.970 + 1375TIP3 H147568 0.517 0.995 2.042 + 1375TIP3 H247569 0.421 1.040 1.933 + 1375TIP3 OH247570 -0.062 0.966 2.954 + 1375TIP3 H147571 -0.071 0.970 2.858 + 1375TIP3 H247572 -0.149 0.935 2.985 + 1375TIP3 OH247573 -0.518 0.574 2.666 + 1375TIP3 H147574 -0.559 0.574 2.577 + 1375TIP3 H247575 -0.500 0.480 2.682 + 1375TIP3 OH247576 -0.512 0.864 2.364 + 1375TIP3 H147577 -0.419 0.838 2.362 + 1375TIP3 H247578 -0.511 0.930 2.435 + 1375TIP3 OH247579 1.329 0.929 2.938 + 1375TIP3 H147580 1.317 0.834 2.920 + 1375TIP3 H247581 1.238 0.953 2.966 + 1375TIP3 OH247582 0.395 0.857 2.823 + 1375TIP3 H147583 0.403 0.942 2.873 + 1375TIP3 H247584 0.305 0.830 2.848 + 1375TIP3 OH247585 0.420 1.235 1.811 + 1375TIP3 H147586 0.420 1.232 1.714 + 1375TIP3 H247587 0.432 1.328 1.832 + 1376TIP3 OH247588 -0.219 1.122 1.963 + 1376TIP3 H147589 -0.206 1.080 2.049 + 1376TIP3 H247590 -0.298 1.077 1.928 + 1376TIP3 OH247591 0.759 1.162 1.496 + 1376TIP3 H147592 0.806 1.090 1.452 + 1376TIP3 H247593 0.761 1.136 1.589 + 1376TIP3 OH247594 0.697 1.133 1.794 + 1376TIP3 H147595 0.600 1.135 1.807 + 1376TIP3 H247596 0.719 1.056 1.848 + 1376TIP3 OH247597 1.007 0.065 2.978 + 1376TIP3 H147598 0.956 0.105 2.906 + 1376TIP3 H247599 1.012 -0.028 2.950 + 1376TIP3 OH247600 -0.300 0.732 2.796 + 1376TIP3 H147601 -0.269 0.682 2.874 + 1376TIP3 H247602 -0.366 0.672 2.757 + 1376TIP3 OH247603 -0.001 -0.424 2.358 + 1376TIP3 H147604 -0.083 -0.430 2.306 + 1376TIP3 H247605 -0.026 -0.357 2.424 + 1376TIP3 OH247606 0.460 -0.460 2.739 + 1376TIP3 H147607 0.514 -0.519 2.795 + 1376TIP3 H247608 0.372 -0.502 2.742 + 1376TIP3 OH247609 0.779 -0.085 2.786 + 1376TIP3 H147610 0.715 -0.101 2.859 + 1376TIP3 H247611 0.770 0.011 2.770 + 1376TIP3 OH247612 -0.004 0.054 2.505 + 1376TIP3 H147613 -0.046 0.068 2.591 + 1376TIP3 H247614 0.016 0.145 2.475 + 1376TIP3 OH247615 0.550 0.106 1.858 + 1376TIP3 H147616 0.528 0.193 1.823 + 1376TIP3 H247617 0.611 0.070 1.792 + 1377TIP3 OH247618 0.482 0.142 3.013 + 1377TIP3 H147619 0.433 0.064 3.046 + 1377TIP3 H247620 0.571 0.127 3.050 + 1377TIP3 OH247621 0.645 0.058 2.137 + 1377TIP3 H147622 0.620 0.114 2.061 + 1377TIP3 H247623 0.670 -0.023 2.088 + 1377TIP3 OH247624 -0.269 0.072 2.695 + 1377TIP3 H147625 -0.219 0.104 2.771 + 1377TIP3 H247626 -0.288 -0.020 2.722 + 1377TIP3 OH247627 0.559 0.227 2.597 + 1377TIP3 H147628 0.603 0.157 2.543 + 1377TIP3 H247629 0.529 0.176 2.674 + 1377TIP3 OH247630 0.716 -0.264 2.397 + 1377TIP3 H147631 0.653 -0.263 2.472 + 1377TIP3 H247632 0.655 -0.298 2.328 + 1377TIP3 OH247633 1.021 1.314 3.068 + 1377TIP3 H147634 1.041 1.360 2.985 + 1377TIP3 H247635 1.092 1.346 3.126 + 1377TIP3 OH247636 -0.190 0.575 3.010 + 1377TIP3 H147637 -0.120 0.584 3.078 + 1377TIP3 H247638 -0.269 0.578 3.068 + 1377TIP3 OH247639 0.374 0.076 2.271 + 1377TIP3 H147640 0.448 0.036 2.224 + 1377TIP3 H247641 0.363 0.015 2.346 + 1377TIP3 OH247642 0.281 -0.075 2.507 + 1377TIP3 H147643 0.202 -0.019 2.509 + 1377TIP3 H247644 0.329 -0.049 2.589 + 1377TIP3 OH247645 0.252 0.565 1.675 + 1377TIP3 H147646 0.198 0.489 1.655 + 1377TIP3 H247647 0.266 0.563 1.771 + 1378TIP3 OH247648 1.015 0.478 2.571 + 1378TIP3 H147649 1.065 0.532 2.506 + 1378TIP3 H247650 0.931 0.463 2.523 + 1378TIP3 OH247651 0.451 0.566 2.828 + 1378TIP3 H147652 0.429 0.535 2.917 + 1378TIP3 H247653 0.430 0.660 2.831 + 1378TIP3 OH247654 -0.207 0.488 2.259 + 1378TIP3 H147655 -0.146 0.483 2.184 + 1378TIP3 H247656 -0.178 0.412 2.312 + 1378TIP3 OH247657 0.532 0.681 1.630 + 1378TIP3 H147658 0.513 0.775 1.614 + 1378TIP3 H247659 0.477 0.640 1.562 + 1378TIP3 OH247660 -0.477 0.327 2.805 + 1378TIP3 H147661 -0.450 0.286 2.889 + 1378TIP3 H247662 -0.522 0.254 2.760 + 1378TIP3 OH247663 0.229 0.276 3.000 + 1378TIP3 H147664 0.204 0.256 2.908 + 1378TIP3 H247665 0.323 0.249 2.999 + 1378TIP3 OH247666 0.683 0.817 2.778 + 1378TIP3 H147667 0.587 0.835 2.772 + 1378TIP3 H247668 0.701 0.847 2.869 + 1378TIP3 OH247669 1.283 0.632 2.932 + 1378TIP3 H147670 1.189 0.653 2.913 + 1378TIP3 H247671 1.315 0.613 2.842 + 1378TIP3 OH247672 0.784 0.415 2.401 + 1378TIP3 H147673 0.692 0.403 2.372 + 1378TIP3 H247674 0.828 0.346 2.346 + 1378TIP3 OH247675 0.034 0.832 2.013 + 1378TIP3 H147676 0.089 0.909 1.993 + 1378TIP3 H247677 -0.047 0.854 1.967 + 1379TIP3 OH247678 0.227 0.589 1.983 + 1379TIP3 H147679 0.210 0.684 1.974 + 1379TIP3 H247680 0.140 0.553 2.002 + 1379TIP3 OH247681 0.245 1.019 2.601 + 1379TIP3 H147682 0.295 1.099 2.577 + 1379TIP3 H247683 0.306 0.978 2.664 + 1379TIP3 OH247684 0.085 1.120 1.935 + 1379TIP3 H147685 -0.011 1.132 1.929 + 1379TIP3 H247686 0.116 1.211 1.952 + 1379TIP3 OH247687 0.587 0.598 2.557 + 1379TIP3 H147688 0.559 0.572 2.646 + 1379TIP3 H247689 0.660 0.536 2.540 + 1379TIP3 OH247690 0.882 1.055 2.796 + 1379TIP3 H147691 0.804 1.012 2.756 + 1379TIP3 H247692 0.888 1.137 2.745 + 1379TIP3 OH247693 -0.333 -0.204 2.764 + 1379TIP3 H147694 -0.425 -0.187 2.739 + 1379TIP3 H247695 -0.340 -0.294 2.803 + 1379TIP3 OH247696 -0.366 0.969 2.608 + 1379TIP3 H147697 -0.328 0.880 2.621 + 1379TIP3 H247698 -0.333 1.012 2.688 + 1379TIP3 OH247699 0.559 -0.218 2.625 + 1379TIP3 H147700 0.626 -0.199 2.693 + 1379TIP3 H247701 0.512 -0.295 2.662 + 1379TIP3 OH247702 0.420 0.956 1.647 + 1379TIP3 H147703 0.324 0.975 1.654 + 1379TIP3 H247704 0.444 1.003 1.567 + 1379TIP3 OH247705 0.398 0.013 2.760 + 1379TIP3 H147706 0.413 0.062 2.842 + 1379TIP3 H247707 0.454 -0.065 2.773 + 1380TIP3 OH247708 0.142 1.051 1.650 + 1380TIP3 H147709 0.130 1.130 1.594 + 1380TIP3 H247710 0.125 1.085 1.739 + 1380TIP3 OH247711 1.031 -0.187 2.846 + 1380TIP3 H147712 0.935 -0.174 2.832 + 1380TIP3 H247713 1.055 -0.211 2.755 + 1380TIP3 OH247714 0.883 0.198 2.241 + 1380TIP3 H147715 0.805 0.155 2.202 + 1380TIP3 H247716 0.931 0.123 2.282 + 1380TIP3 OH247717 0.984 1.082 2.387 + 1380TIP3 H147718 0.966 1.164 2.337 + 1380TIP3 H247719 1.077 1.097 2.412 + 1380TIP3 OH247720 -0.271 -0.442 2.267 + 1380TIP3 H147721 -0.287 -0.462 2.174 + 1380TIP3 H247722 -0.302 -0.523 2.310 + 1380TIP3 OH247723 -0.433 1.179 3.037 + 1380TIP3 H147724 -0.372 1.151 3.108 + 1380TIP3 H247725 -0.468 1.093 3.007 + 1380TIP3 OH247726 0.030 1.073 3.210 + 1380TIP3 H147727 0.111 1.022 3.228 + 1380TIP3 H247728 0.019 1.054 3.115 + 1380TIP3 OH247729 0.697 0.904 3.062 + 1380TIP3 H147730 0.653 0.826 3.100 + 1380TIP3 H247731 0.761 0.927 3.131 + 1380TIP3 OH247732 -0.433 0.536 3.142 + 1380TIP3 H147733 -0.420 0.446 3.107 + 1380TIP3 H247734 -0.507 0.567 3.086 + 1380TIP3 OH247735 0.228 0.553 3.077 + 1380TIP3 H147736 0.205 0.590 2.990 + 1380TIP3 H247737 0.239 0.458 3.058 + 1381TIP3 OH247738 0.768 0.518 2.815 + 1381TIP3 H147739 0.848 0.569 2.793 + 1381TIP3 H247740 0.701 0.588 2.811 + 1381TIP3 OH247741 -0.346 0.249 3.054 + 1381TIP3 H147742 -0.271 0.187 3.053 + 1381TIP3 H247743 -0.348 0.272 3.149 + 1381TIP3 OH247744 0.014 0.161 2.787 + 1381TIP3 H147745 -0.027 0.242 2.821 + 1381TIP3 H247746 0.090 0.197 2.738 + 1381TIP3 OH247747 0.552 0.434 3.158 + 1381TIP3 H147748 0.642 0.416 3.125 + 1381TIP3 H247749 0.528 0.347 3.195 + 1381TIP3 OH247750 0.078 -0.109 2.915 + 1381TIP3 H147751 0.089 -0.176 2.844 + 1381TIP3 H247752 0.063 -0.029 2.862 + 1381TIP3 OH247753 0.110 -0.255 2.660 + 1381TIP3 H147754 0.170 -0.214 2.594 + 1381TIP3 H247755 0.024 -0.257 2.613 + 1381TIP3 OH247756 0.265 0.283 2.701 + 1381TIP3 H147757 0.350 0.272 2.656 + 1381TIP3 H247758 0.239 0.372 2.669 + 1381TIP3 OH247759 0.727 0.077 3.181 + 1381TIP3 H147760 0.750 -0.017 3.189 + 1381TIP3 H247761 0.815 0.117 3.173 + 1381TIP3 OH247762 0.823 0.356 3.028 + 1381TIP3 H147763 0.790 0.417 2.959 + 1381TIP3 H247764 0.913 0.339 2.991 + 1381TIP3 OH247765 -0.101 0.079 3.091 + 1381TIP3 H147766 -0.152 -0.005 3.093 + 1381TIP3 H247767 -0.018 0.049 3.051 + 1382TIP3 OH247768 0.183 -0.527 2.703 + 1382TIP3 H147769 0.169 -0.433 2.679 + 1382TIP3 H247770 0.121 -0.572 2.642 + 1382TIP3 OH247771 0.312 -0.069 3.076 + 1382TIP3 H147772 0.277 -0.093 3.163 + 1382TIP3 H247773 0.233 -0.091 3.020 + 1382TIP3 OH247774 0.569 -0.163 2.963 + 1382TIP3 H147775 0.479 -0.163 3.001 + 1382TIP3 H247776 0.614 -0.230 3.018 + 1382TIP3 OH247777 0.751 -0.317 3.134 + 1382TIP3 H147778 0.737 -0.413 3.148 + 1382TIP3 H247779 0.733 -0.278 3.221 + 1382TIP3 OH247780 -0.235 -0.177 3.079 + 1382TIP3 H147781 -0.239 -0.249 3.013 + 1382TIP3 H247782 -0.254 -0.225 3.161 + 1382TIP3 OH247783 0.170 -0.579 2.978 + 1382TIP3 H147784 0.231 -0.655 2.981 + 1382TIP3 H247785 0.166 -0.564 2.881 + 1382TIP3 OH247786 0.263 -0.394 3.165 + 1382TIP3 H147787 0.240 -0.453 3.090 + 1382TIP3 H247788 0.194 -0.326 3.161 + 1382TIP3 OH247789 0.173 1.299 1.500 + 1382TIP3 H147790 0.267 1.296 1.519 + 1382TIP3 H247791 0.170 1.370 1.434 + 1382TIP3 OH247792 -0.563 1.267 1.940 + 1382TIP3 H147793 -0.614 1.217 1.873 + 1382TIP3 H247794 -0.530 1.194 1.996 + 1382TIP3 OH247795 -0.495 1.066 2.129 + 1382TIP3 H147796 -0.524 0.979 2.161 + 1382TIP3 H247797 -0.456 1.103 2.209 + 1383TIP3 OH247798 1.256 1.200 2.437 + 1383TIP3 H147799 1.272 1.196 2.532 + 1383TIP3 H247800 1.343 1.228 2.404 + 1383TIP3 OH247801 1.247 1.144 2.725 + 1383TIP3 H147802 1.193 1.070 2.690 + 1383TIP3 H247803 1.300 1.096 2.790 + 1383TIP3 OH247804 1.046 0.686 3.155 + 1383TIP3 H147805 0.957 0.694 3.193 + 1383TIP3 H247806 1.090 0.767 3.185 + 1383TIP3 OH247807 1.207 0.621 2.426 + 1383TIP3 H147808 1.264 0.572 2.364 + 1383TIP3 H247809 1.216 0.712 2.393 + 1383TIP3 OH247810 1.076 0.914 2.648 + 1383TIP3 H147811 1.002 0.956 2.697 + 1383TIP3 H247812 1.030 0.878 2.569 + 1383TIP3 OH247813 1.033 0.214 1.965 + 1383TIP3 H147814 1.020 0.119 1.952 + 1383TIP3 H247815 0.996 0.229 2.054 + 1383TIP3 OH247816 -0.488 0.395 2.351 + 1383TIP3 H147817 -0.451 0.407 2.262 + 1383TIP3 H247818 -0.405 0.382 2.401 + 1383TIP3 OH247819 1.085 0.378 2.920 + 1383TIP3 H147820 1.158 0.317 2.939 + 1383TIP3 H247821 1.130 0.461 2.902 + 1383TIP3 OH247822 1.240 0.189 3.042 + 1383TIP3 H147823 1.161 0.135 3.020 + 1383TIP3 H247824 1.311 0.121 3.040 + 1383TIP3 OH247825 1.018 -0.039 1.835 + 1383TIP3 H147826 1.017 -0.134 1.819 + 1383TIP3 H247827 1.069 -0.007 1.760 + 1384TIP3 OH247828 1.033 -0.007 2.367 + 1384TIP3 H147829 1.130 0.007 2.365 + 1384TIP3 H247830 1.017 -0.002 2.462 + 1384TIP3 OH247831 1.053 0.067 2.651 + 1384TIP3 H147832 0.966 0.103 2.676 + 1384TIP3 H247833 1.103 0.147 2.628 + 1384TIP3 OH247834 -0.501 -0.061 3.012 + 1384TIP3 H147835 -0.407 -0.085 3.021 + 1384TIP3 H247836 -0.543 -0.148 3.025 + 1384TIP3 OH247837 1.308 -0.519 3.179 + 1384TIP3 H147838 1.348 -0.588 3.124 + 1384TIP3 H247839 1.310 -0.441 3.120 + 1384TIP3 OH247840 1.084 -0.340 1.817 + 1384TIP3 H147841 1.062 -0.369 1.907 + 1384TIP3 H247842 1.009 -0.378 1.770 + 1384TIP3 OH247843 1.245 -0.314 3.003 + 1384TIP3 H147844 1.157 -0.272 3.009 + 1384TIP3 H247845 1.232 -0.369 2.924 + 1384TIP3 OH247846 0.947 1.208 2.004 + 1384TIP3 H147847 0.997 1.172 1.928 + 1384TIP3 H247848 1.018 1.236 2.063 + 1384TIP3 OH247849 -0.511 -0.427 2.636 + 1384TIP3 H147850 -0.578 -0.475 2.685 + 1384TIP3 H247851 -0.565 -0.393 2.561 + 1384TIP3 OH247852 -0.316 0.870 3.090 + 1384TIP3 H147853 -0.389 0.875 3.027 + 1384TIP3 H247854 -0.361 0.876 3.175 + 1384TIP3 OH247855 -0.033 0.974 2.656 + 1384TIP3 H147856 -0.059 1.061 2.621 + 1384TIP3 H247857 0.064 0.979 2.641 + 1385TIP3 OH247858 0.405 1.095 2.952 + 1385TIP3 H147859 0.385 1.118 3.044 + 1385TIP3 H247860 0.458 1.172 2.925 + 1385TIP3 OH247861 0.648 1.254 2.880 + 1385TIP3 H147862 0.706 1.178 2.865 + 1385TIP3 H247863 0.669 1.276 2.973 + 1385TIP3 OH247864 1.132 -0.491 2.802 + 1385TIP3 H147865 1.051 -0.472 2.750 + 1385TIP3 H247866 1.153 -0.581 2.769 + 1385TIP3 OH247867 -0.298 1.260 2.692 + 1385TIP3 H147868 -0.344 1.331 2.646 + 1385TIP3 H247869 -0.322 1.277 2.784 + 1385TIP3 OH247870 -0.044 1.244 2.543 + 1385TIP3 H147871 -0.125 1.269 2.591 + 1385TIP3 H247872 -0.034 1.315 2.477 + 1385TIP3 OH247873 0.428 1.243 2.500 + 1385TIP3 H147874 0.391 1.294 2.426 + 1385TIP3 H247875 0.431 1.312 2.570 + 1385TIP3 OH247876 0.663 1.117 2.592 + 1385TIP3 H147877 0.577 1.152 2.562 + 1385TIP3 H247878 0.716 1.198 2.594 + 1385TIP3 OH247879 0.920 1.291 2.614 + 1385TIP3 H147880 0.912 1.385 2.590 + 1385TIP3 H247881 0.943 1.253 2.528 + 1385TIP3 OH247882 -0.339 1.146 2.385 + 1385TIP3 H147883 -0.334 1.100 2.471 + 1385TIP3 H247884 -0.261 1.107 2.340 + 1385TIP3 OH247885 -0.139 1.025 2.235 + 1385TIP3 H147886 -0.143 0.929 2.253 + 1385TIP3 H247887 -0.045 1.044 2.256 + 1386TIP3 OH247888 0.138 1.070 2.318 + 1386TIP3 H147889 0.163 0.980 2.292 + 1386TIP3 H247890 0.151 1.066 2.414 + 1386TIP3 OH247891 0.501 -0.352 2.236 + 1386TIP3 H147892 0.416 -0.398 2.249 + 1386TIP3 H247893 0.525 -0.389 2.150 + 1386TIP3 OH247894 0.945 -0.542 2.276 + 1386TIP3 H147895 1.020 -0.499 2.233 + 1386TIP3 H247896 0.869 -0.517 2.220 + 1386TIP3 OH247897 1.235 -0.421 2.102 + 1386TIP3 H147898 1.214 -0.482 2.030 + 1386TIP3 H247899 1.183 -0.342 2.086 + 1386TIP3 OH247900 0.481 1.222 1.489 + 1386TIP3 H147901 0.579 1.226 1.484 + 1386TIP3 H247902 0.461 1.168 1.411 + 1386TIP3 OH247903 1.121 1.125 1.762 + 1386TIP3 H147904 1.120 1.042 1.712 + 1386TIP3 H247905 1.135 1.190 1.691 + 1386TIP3 OH247906 -0.312 -0.443 2.962 + 1386TIP3 H147907 -0.351 -0.528 2.991 + 1386TIP3 H247908 -0.218 -0.460 2.978 + 1386TIP3 OH247909 -0.070 -0.506 3.132 + 1386TIP3 H147910 0.012 -0.537 3.088 + 1386TIP3 H247911 -0.103 -0.590 3.169 + 1386TIP3 OH247912 0.740 -0.596 3.148 + 1386TIP3 H147913 0.745 -0.639 3.236 + 1386TIP3 H247914 0.833 -0.601 3.120 + 1386TIP3 OH247915 1.077 1.037 3.016 + 1386TIP3 H147916 1.003 1.017 2.955 + 1386TIP3 H247917 1.058 1.131 3.036 + 1387TIP3 OH247918 2.502 0.406 2.028 + 1387TIP3 H147919 2.496 0.502 2.036 + 1387TIP3 H247920 2.426 0.386 1.970 + 1387TIP3 OH247921 2.388 0.349 2.339 + 1387TIP3 H147922 2.380 0.292 2.418 + 1387TIP3 H247923 2.352 0.289 2.271 + 1387TIP3 OH247924 1.632 0.309 2.501 + 1387TIP3 H147925 1.627 0.235 2.564 + 1387TIP3 H247926 1.699 0.365 2.542 + 1387TIP3 OH247927 2.750 0.620 2.169 + 1387TIP3 H147928 2.711 0.548 2.221 + 1387TIP3 H247929 2.782 0.679 2.237 + 1387TIP3 OH247930 1.694 0.766 2.351 + 1387TIP3 H147931 1.670 0.676 2.319 + 1387TIP3 H247932 1.788 0.752 2.371 + 1387TIP3 OH247933 1.374 0.116 1.885 + 1387TIP3 H147934 1.333 0.201 1.908 + 1387TIP3 H247935 1.305 0.075 1.832 + 1387TIP3 OH247936 1.453 0.371 2.067 + 1387TIP3 H147937 1.458 0.284 2.109 + 1387TIP3 H247938 1.539 0.379 2.024 + 1387TIP3 OH247939 2.457 1.163 2.213 + 1387TIP3 H147940 2.513 1.087 2.190 + 1387TIP3 H247941 2.413 1.139 2.296 + 1387TIP3 OH247942 2.236 0.604 2.393 + 1387TIP3 H147943 2.264 0.527 2.341 + 1387TIP3 H247944 2.318 0.620 2.444 + 1387TIP3 OH247945 3.092 -0.232 2.449 + 1387TIP3 H147946 3.125 -0.198 2.533 + 1387TIP3 H247947 3.171 -0.232 2.392 + 1388TIP3 OH247948 2.570 0.034 2.442 + 1388TIP3 H147949 2.569 -0.063 2.453 + 1388TIP3 H247950 2.546 0.042 2.348 + 1388TIP3 OH247951 1.853 -0.171 2.136 + 1388TIP3 H147952 1.866 -0.084 2.094 + 1388TIP3 H247953 1.806 -0.218 2.066 + 1388TIP3 OH247954 2.621 -0.156 1.982 + 1388TIP3 H147955 2.684 -0.206 2.036 + 1388TIP3 H247956 2.677 -0.126 1.910 + 1388TIP3 OH247957 1.531 0.117 2.199 + 1388TIP3 H147958 1.586 0.063 2.258 + 1388TIP3 H247959 1.521 0.061 2.121 + 1388TIP3 OH247960 2.070 0.247 2.146 + 1388TIP3 H147961 2.132 0.185 2.189 + 1388TIP3 H247962 2.012 0.186 2.098 + 1388TIP3 OH247963 3.166 -0.104 2.696 + 1388TIP3 H147964 3.093 -0.040 2.684 + 1388TIP3 H247965 3.160 -0.117 2.792 + 1388TIP3 OH247966 1.736 -0.288 2.561 + 1388TIP3 H147967 1.699 -0.226 2.496 + 1388TIP3 H247968 1.671 -0.277 2.634 + 1388TIP3 OH247969 2.483 0.694 1.890 + 1388TIP3 H147970 2.436 0.669 1.811 + 1388TIP3 H247971 2.442 0.780 1.911 + 1388TIP3 OH247972 2.033 0.503 2.581 + 1388TIP3 H147973 1.956 0.558 2.608 + 1388TIP3 H247974 2.090 0.568 2.537 + 1388TIP3 OH247975 2.826 -0.218 2.186 + 1388TIP3 H147976 2.781 -0.281 2.244 + 1388TIP3 H247977 2.885 -0.172 2.247 + 1389TIP3 OH247978 1.704 -0.089 2.359 + 1389TIP3 H147979 1.766 -0.027 2.403 + 1389TIP3 H247980 1.760 -0.122 2.286 + 1389TIP3 OH247981 1.830 0.687 2.653 + 1389TIP3 H147982 1.825 0.780 2.622 + 1389TIP3 H247983 1.743 0.680 2.696 + 1389TIP3 OH247984 2.795 0.807 2.440 + 1389TIP3 H147985 2.703 0.787 2.420 + 1389TIP3 H247986 2.818 0.881 2.380 + 1389TIP3 OH247987 2.838 -0.303 2.572 + 1389TIP3 H147988 2.758 -0.272 2.527 + 1389TIP3 H247989 2.907 -0.292 2.504 + 1389TIP3 OH247990 2.152 -0.537 2.279 + 1389TIP3 H147991 2.128 -0.632 2.273 + 1389TIP3 H247992 2.069 -0.499 2.315 + 1389TIP3 OH247993 2.650 0.991 2.100 + 1389TIP3 H147994 2.687 0.919 2.047 + 1389TIP3 H247995 2.700 1.067 2.064 + 1389TIP3 OH247996 2.782 0.781 1.938 + 1389TIP3 H147997 2.727 0.741 1.869 + 1389TIP3 H247998 2.773 0.715 2.010 + 1389TIP3 OH247999 2.932 0.668 2.786 + 1389TIP3 H148000 2.924 0.599 2.717 + 1389TIP3 H248001 2.951 0.748 2.734 + 1389TIP3 OH248002 2.373 0.343 1.774 + 1389TIP3 H148003 2.299 0.391 1.735 + 1389TIP3 H248004 2.437 0.338 1.700 + 1389TIP3 OH248005 3.116 0.265 2.546 + 1389TIP3 H148006 3.053 0.333 2.578 + 1389TIP3 H248007 3.172 0.315 2.486 + 1390TIP3 OH248008 2.714 0.359 1.859 + 1390TIP3 H148009 2.641 0.380 1.922 + 1390TIP3 H248010 2.760 0.290 1.909 + 1390TIP3 OH248011 2.698 0.211 2.746 + 1390TIP3 H148012 2.699 0.291 2.801 + 1390TIP3 H248013 2.629 0.238 2.683 + 1390TIP3 OH248014 1.868 0.440 2.019 + 1390TIP3 H148015 1.835 0.406 1.934 + 1390TIP3 H248016 1.939 0.379 2.043 + 1390TIP3 OH248017 2.007 0.774 2.313 + 1390TIP3 H148018 1.993 0.746 2.221 + 1390TIP3 H248019 2.086 0.723 2.339 + 1390TIP3 OH248020 1.934 0.313 2.390 + 1390TIP3 H148021 1.987 0.322 2.309 + 1390TIP3 H248022 1.969 0.383 2.448 + 1390TIP3 OH248023 2.017 0.749 2.869 + 1390TIP3 H148024 1.966 0.811 2.924 + 1390TIP3 H248025 1.949 0.721 2.804 + 1390TIP3 OH248026 2.601 0.288 1.608 + 1390TIP3 H148027 2.656 0.318 1.683 + 1390TIP3 H248028 2.645 0.332 1.532 + 1390TIP3 OH248029 1.709 0.388 2.784 + 1390TIP3 H148030 1.713 0.444 2.864 + 1390TIP3 H248031 1.613 0.373 2.777 + 1390TIP3 OH248032 2.366 0.962 1.967 + 1390TIP3 H148033 2.389 1.007 2.048 + 1390TIP3 H248034 2.306 1.026 1.925 + 1390TIP3 OH248035 1.825 0.965 2.955 + 1390TIP3 H148036 1.812 0.966 2.859 + 1390TIP3 H248037 1.737 0.938 2.989 + 1391TIP3 OH248038 2.937 -0.534 1.591 + 1391TIP3 H148039 2.839 -0.534 1.579 + 1391TIP3 H248040 2.957 -0.444 1.563 + 1391TIP3 OH248041 3.093 0.886 1.415 + 1391TIP3 H148042 3.106 0.980 1.434 + 1391TIP3 H248043 3.181 0.849 1.435 + 1391TIP3 OH248044 1.372 0.576 2.667 + 1391TIP3 H148045 1.326 0.577 2.580 + 1391TIP3 H248046 1.383 0.480 2.681 + 1391TIP3 OH248047 1.376 0.870 2.359 + 1391TIP3 H148048 1.467 0.839 2.366 + 1391TIP3 H248049 1.370 0.929 2.436 + 1391TIP3 OH248050 3.213 0.928 2.936 + 1391TIP3 H148051 3.202 0.832 2.924 + 1391TIP3 H248052 3.123 0.954 2.966 + 1391TIP3 OH248053 2.277 0.854 2.815 + 1391TIP3 H148054 2.285 0.932 2.874 + 1391TIP3 H248055 2.188 0.821 2.839 + 1391TIP3 OH248056 2.320 1.231 1.814 + 1391TIP3 H148057 2.302 1.232 1.718 + 1391TIP3 H248058 2.313 1.324 1.838 + 1391TIP3 OH248059 1.661 1.120 1.962 + 1391TIP3 H148060 1.688 1.079 2.046 + 1391TIP3 H248061 1.574 1.079 1.950 + 1391TIP3 OH248062 2.640 1.179 1.532 + 1391TIP3 H148063 2.697 1.113 1.488 + 1391TIP3 H248064 2.631 1.139 1.621 + 1391TIP3 OH248065 2.580 1.119 1.818 + 1391TIP3 H148066 2.484 1.138 1.820 + 1391TIP3 H248067 2.581 1.037 1.870 + 1392TIP3 OH248068 2.897 0.068 2.975 + 1392TIP3 H148069 2.836 0.102 2.909 + 1392TIP3 H248070 2.898 -0.027 2.953 + 1392TIP3 OH248071 1.590 0.730 2.790 + 1392TIP3 H148072 1.616 0.684 2.873 + 1392TIP3 H248073 1.516 0.676 2.758 + 1392TIP3 OH248074 1.906 -0.422 2.368 + 1392TIP3 H148075 1.831 -0.426 2.306 + 1392TIP3 H248076 1.874 -0.354 2.431 + 1392TIP3 OH248077 2.347 -0.465 2.730 + 1392TIP3 H148078 2.398 -0.516 2.796 + 1392TIP3 H248079 2.256 -0.498 2.745 + 1392TIP3 OH248080 2.664 -0.082 2.787 + 1392TIP3 H148081 2.601 -0.104 2.859 + 1392TIP3 H248082 2.650 0.013 2.773 + 1392TIP3 OH248083 2.751 0.398 1.391 + 1392TIP3 H148084 2.730 0.392 1.296 + 1392TIP3 H248085 2.843 0.431 1.388 + 1392TIP3 OH248086 1.895 0.056 2.508 + 1392TIP3 H148087 1.837 0.066 2.585 + 1392TIP3 H248088 1.899 0.148 2.473 + 1392TIP3 OH248089 1.887 0.073 1.986 + 1392TIP3 H148090 1.791 0.070 1.970 + 1392TIP3 H248091 1.920 0.053 1.896 + 1392TIP3 OH248092 2.486 0.105 1.867 + 1392TIP3 H148093 2.433 0.185 1.847 + 1392TIP3 H248094 2.518 0.082 1.779 + 1392TIP3 OH248095 2.371 0.139 3.006 + 1392TIP3 H148096 2.318 0.066 3.046 + 1392TIP3 H248097 2.456 0.127 3.052 + 1393TIP3 OH248098 2.544 0.052 2.149 + 1393TIP3 H148099 2.515 0.107 2.075 + 1393TIP3 H248100 2.560 -0.031 2.099 + 1393TIP3 OH248101 1.631 0.072 2.691 + 1393TIP3 H148102 1.657 0.103 2.779 + 1393TIP3 H248103 1.594 -0.015 2.712 + 1393TIP3 OH248104 1.338 -0.151 2.053 + 1393TIP3 H148105 1.368 -0.191 2.137 + 1393TIP3 H248106 1.350 -0.222 1.989 + 1393TIP3 OH248107 2.449 0.227 2.599 + 1393TIP3 H148108 2.490 0.153 2.550 + 1393TIP3 H248109 2.409 0.180 2.675 + 1393TIP3 OH248110 2.167 -0.171 2.101 + 1393TIP3 H148111 2.072 -0.188 2.117 + 1393TIP3 H248112 2.206 -0.202 2.184 + 1393TIP3 OH248113 1.623 -0.075 1.945 + 1393TIP3 H148114 1.536 -0.033 1.935 + 1393TIP3 H248115 1.629 -0.129 1.866 + 1393TIP3 OH248116 1.972 0.008 1.719 + 1393TIP3 H148117 2.064 -0.021 1.733 + 1393TIP3 H248118 1.977 0.064 1.641 + 1393TIP3 OH248119 2.605 -0.265 2.401 + 1393TIP3 H148120 2.542 -0.264 2.476 + 1393TIP3 H248121 2.546 -0.299 2.331 + 1393TIP3 OH248122 2.907 1.312 3.065 + 1393TIP3 H148123 2.929 1.361 2.984 + 1393TIP3 H248124 2.971 1.347 3.129 + 1393TIP3 OH248125 1.697 0.578 3.011 + 1393TIP3 H148126 1.764 0.583 3.083 + 1393TIP3 H248127 1.616 0.574 3.065 + 1394TIP3 OH248128 2.276 0.080 2.285 + 1394TIP3 H148129 2.336 0.025 2.232 + 1394TIP3 H248130 2.250 0.019 2.357 + 1394TIP3 OH248131 2.169 -0.071 2.502 + 1394TIP3 H148132 2.087 -0.019 2.508 + 1394TIP3 H248133 2.215 -0.050 2.586 + 1394TIP3 OH248134 2.909 0.473 2.569 + 1394TIP3 H148135 2.951 0.529 2.502 + 1394TIP3 H248136 2.819 0.461 2.533 + 1394TIP3 OH248137 2.355 0.571 2.822 + 1394TIP3 H148138 2.319 0.524 2.899 + 1394TIP3 H248139 2.307 0.655 2.827 + 1394TIP3 OH248140 2.708 0.022 1.603 + 1394TIP3 H148141 2.719 -0.013 1.693 + 1394TIP3 H248142 2.646 0.097 1.614 + 1394TIP3 OH248143 1.698 0.495 2.261 + 1394TIP3 H148144 1.756 0.486 2.184 + 1394TIP3 H248145 1.706 0.409 2.304 + 1394TIP3 OH248146 1.419 0.327 2.805 + 1394TIP3 H148147 1.434 0.284 2.891 + 1394TIP3 H248148 1.357 0.267 2.760 + 1394TIP3 OH248149 2.116 0.280 3.003 + 1394TIP3 H148150 2.081 0.252 2.916 + 1394TIP3 H248151 2.209 0.251 2.996 + 1394TIP3 OH248152 2.565 0.870 2.768 + 1394TIP3 H148153 2.473 0.836 2.765 + 1394TIP3 H248154 2.586 0.851 2.861 + 1394TIP3 OH248155 3.120 0.025 1.645 + 1394TIP3 H148156 3.074 -0.013 1.569 + 1394TIP3 H248157 3.123 0.120 1.622 + 1395TIP3 OH248158 3.167 0.632 2.933 + 1395TIP3 H148159 3.073 0.653 2.916 + 1395TIP3 H248160 3.201 0.615 2.843 + 1395TIP3 OH248161 2.943 0.885 1.664 + 1395TIP3 H148162 2.927 0.806 1.717 + 1395TIP3 H248163 2.998 0.853 1.591 + 1395TIP3 OH248164 2.663 0.426 2.397 + 1395TIP3 H148165 2.570 0.403 2.379 + 1395TIP3 H248166 2.707 0.350 2.355 + 1395TIP3 OH248167 1.938 0.823 2.024 + 1395TIP3 H148168 1.983 0.897 1.982 + 1395TIP3 H248169 1.861 0.810 1.966 + 1395TIP3 OH248170 2.135 1.023 2.600 + 1395TIP3 H148171 2.181 1.107 2.587 + 1395TIP3 H248172 2.189 0.979 2.667 + 1395TIP3 OH248173 1.976 1.114 1.931 + 1395TIP3 H148174 1.880 1.118 1.928 + 1395TIP3 H248175 2.001 1.207 1.947 + 1395TIP3 OH248176 2.485 0.629 2.544 + 1395TIP3 H148177 2.448 0.601 2.629 + 1395TIP3 H248178 2.548 0.559 2.524 + 1395TIP3 OH248179 2.678 0.729 1.451 + 1395TIP3 H148180 2.719 0.688 1.529 + 1395TIP3 H248181 2.585 0.714 1.471 + 1395TIP3 OH248182 2.776 1.048 2.784 + 1395TIP3 H148183 2.690 1.002 2.784 + 1395TIP3 H248184 2.759 1.137 2.747 + 1395TIP3 OH248185 3.163 1.155 1.504 + 1395TIP3 H148186 3.231 1.220 1.480 + 1395TIP3 H248187 3.085 1.213 1.506 + 1396TIP3 OH248188 1.551 -0.208 2.764 + 1396TIP3 H148189 1.460 -0.181 2.741 + 1396TIP3 H248190 1.536 -0.293 2.808 + 1396TIP3 OH248191 2.782 0.588 1.684 + 1396TIP3 H148192 2.755 0.516 1.744 + 1396TIP3 H248193 2.878 0.588 1.696 + 1396TIP3 OH248194 1.529 0.969 2.606 + 1396TIP3 H148195 1.554 0.877 2.624 + 1396TIP3 H248196 1.547 1.008 2.692 + 1396TIP3 OH248197 2.450 -0.224 2.620 + 1396TIP3 H148198 2.506 -0.197 2.694 + 1396TIP3 H248199 2.397 -0.296 2.659 + 1396TIP3 OH248200 2.310 0.959 1.646 + 1396TIP3 H148201 2.214 0.977 1.653 + 1396TIP3 H248202 2.331 1.002 1.562 + 1396TIP3 OH248203 2.241 -0.064 1.841 + 1396TIP3 H148204 2.331 -0.033 1.857 + 1396TIP3 H248205 2.213 -0.091 1.931 + 1396TIP3 OH248206 2.296 0.014 2.755 + 1396TIP3 H148207 2.292 0.063 2.838 + 1396TIP3 H248208 2.340 -0.067 2.784 + 1396TIP3 OH248209 2.341 -0.365 1.927 + 1396TIP3 H148210 2.305 -0.297 1.985 + 1396TIP3 H248211 2.413 -0.318 1.883 + 1396TIP3 OH248212 2.027 1.038 1.630 + 1396TIP3 H148213 2.008 1.119 1.580 + 1396TIP3 H248214 1.988 1.057 1.717 + 1396TIP3 OH248215 1.854 -0.278 1.603 + 1396TIP3 H148216 1.879 -0.185 1.612 + 1396TIP3 H248217 1.942 -0.320 1.603 + 1397TIP3 OH248218 2.917 -0.186 2.843 + 1397TIP3 H148219 2.820 -0.173 2.834 + 1397TIP3 H248220 2.935 -0.215 2.753 + 1397TIP3 OH248221 2.770 0.196 2.244 + 1397TIP3 H148222 2.686 0.149 2.222 + 1397TIP3 H248223 2.819 0.128 2.293 + 1397TIP3 OH248224 2.848 1.085 2.394 + 1397TIP3 H148225 2.848 1.164 2.335 + 1397TIP3 H248226 2.944 1.084 2.415 + 1397TIP3 OH248227 1.620 -0.482 2.236 + 1397TIP3 H148228 1.580 -0.528 2.162 + 1397TIP3 H248229 1.604 -0.549 2.306 + 1397TIP3 OH248230 1.461 1.173 3.028 + 1397TIP3 H148231 1.518 1.145 3.101 + 1397TIP3 H248232 1.421 1.088 3.000 + 1397TIP3 OH248233 1.931 1.083 3.203 + 1397TIP3 H148234 1.996 1.017 3.231 + 1397TIP3 H248235 1.906 1.050 3.115 + 1397TIP3 OH248236 2.322 1.004 1.360 + 1397TIP3 H148237 2.249 0.941 1.354 + 1397TIP3 H248238 2.385 0.969 1.295 + 1397TIP3 OH248239 2.588 0.899 3.058 + 1397TIP3 H148240 2.538 0.827 3.102 + 1397TIP3 H248241 2.647 0.928 3.130 + 1397TIP3 OH248242 2.805 0.998 1.383 + 1397TIP3 H148243 2.829 0.916 1.428 + 1397TIP3 H248244 2.873 1.004 1.313 + 1397TIP3 OH248245 1.455 0.537 3.139 + 1397TIP3 H148246 1.464 0.445 3.108 + 1397TIP3 H248247 1.378 0.567 3.087 + 1398TIP3 OH248248 2.131 0.558 3.066 + 1398TIP3 H148249 2.084 0.585 2.986 + 1398TIP3 H248250 2.129 0.460 3.060 + 1398TIP3 OH248251 2.656 0.512 2.807 + 1398TIP3 H148252 2.728 0.576 2.799 + 1398TIP3 H248253 2.577 0.567 2.814 + 1398TIP3 OH248254 1.541 0.250 3.057 + 1398TIP3 H148255 1.615 0.186 3.058 + 1398TIP3 H248256 1.538 0.272 3.152 + 1398TIP3 OH248257 1.908 0.161 2.799 + 1398TIP3 H148258 1.854 0.238 2.824 + 1398TIP3 H248259 1.971 0.201 2.737 + 1398TIP3 OH248260 2.438 0.433 3.150 + 1398TIP3 H148261 2.531 0.412 3.133 + 1398TIP3 H248262 2.409 0.355 3.200 + 1398TIP3 OH248263 3.028 0.433 1.330 + 1398TIP3 H148264 3.013 0.405 1.238 + 1398TIP3 H248265 3.025 0.530 1.317 + 1398TIP3 OH248266 1.969 -0.106 2.914 + 1398TIP3 H148267 1.972 -0.174 2.843 + 1398TIP3 H248268 1.943 -0.027 2.865 + 1398TIP3 OH248269 1.999 -0.261 2.658 + 1398TIP3 H148270 2.050 -0.209 2.593 + 1398TIP3 H248271 1.908 -0.257 2.623 + 1398TIP3 OH248272 2.155 0.285 2.701 + 1398TIP3 H148273 2.237 0.275 2.651 + 1398TIP3 H248274 2.122 0.371 2.669 + 1398TIP3 OH248275 2.614 0.075 3.172 + 1398TIP3 H148276 2.630 -0.016 3.199 + 1398TIP3 H248277 2.703 0.113 3.179 + 1399TIP3 OH248278 2.714 0.356 3.027 + 1399TIP3 H148279 2.675 0.415 2.959 + 1399TIP3 H248280 2.800 0.338 2.986 + 1399TIP3 OH248281 1.786 0.078 3.090 + 1399TIP3 H148282 1.733 -0.003 3.096 + 1399TIP3 H248283 1.869 0.045 3.053 + 1399TIP3 OH248284 2.074 -0.528 2.694 + 1399TIP3 H148285 2.053 -0.433 2.679 + 1399TIP3 H248286 2.003 -0.571 2.643 + 1399TIP3 OH248287 2.199 -0.071 3.073 + 1399TIP3 H148288 2.165 -0.091 3.162 + 1399TIP3 H248289 2.118 -0.091 3.021 + 1399TIP3 OH248290 2.451 -0.169 2.957 + 1399TIP3 H148291 2.364 -0.160 3.001 + 1399TIP3 H248292 2.497 -0.229 3.019 + 1399TIP3 OH248293 2.638 -0.317 3.133 + 1399TIP3 H148294 2.622 -0.412 3.149 + 1399TIP3 H248295 2.618 -0.276 3.219 + 1399TIP3 OH248296 1.655 -0.178 3.078 + 1399TIP3 H148297 1.645 -0.250 3.013 + 1399TIP3 H248298 1.632 -0.224 3.161 + 1399TIP3 OH248299 2.056 -0.579 2.977 + 1399TIP3 H148300 2.115 -0.656 2.983 + 1399TIP3 H248301 2.053 -0.565 2.881 + 1399TIP3 OH248302 2.151 -0.392 3.161 + 1399TIP3 H148303 2.118 -0.452 3.091 + 1399TIP3 H248304 2.081 -0.325 3.166 + 1399TIP3 OH248305 2.055 1.299 1.504 + 1399TIP3 H148306 2.151 1.304 1.518 + 1399TIP3 H248307 2.045 1.360 1.430 + 1400TIP3 OH248308 1.328 1.269 1.936 + 1400TIP3 H148309 1.268 1.220 1.876 + 1400TIP3 H248310 1.354 1.198 1.998 + 1400TIP3 OH248311 1.397 1.070 2.126 + 1400TIP3 H148312 1.362 0.983 2.152 + 1400TIP3 H248313 1.423 1.104 2.213 + 1400TIP3 OH248314 3.140 1.194 2.439 + 1400TIP3 H148315 3.158 1.196 2.534 + 1400TIP3 H248316 3.222 1.231 2.403 + 1400TIP3 OH248317 3.130 1.143 2.722 + 1400TIP3 H148318 3.082 1.065 2.689 + 1400TIP3 H248319 3.185 1.101 2.791 + 1400TIP3 OH248320 2.930 0.686 3.152 + 1400TIP3 H148321 2.842 0.691 3.194 + 1400TIP3 H248322 2.975 0.765 3.187 + 1400TIP3 OH248323 3.071 0.572 1.731 + 1400TIP3 H148324 3.160 0.609 1.746 + 1400TIP3 H248325 3.063 0.512 1.807 + 1400TIP3 OH248326 3.139 0.376 1.951 + 1400TIP3 H148327 3.064 0.319 1.978 + 1400TIP3 H248328 3.198 0.375 2.027 + 1400TIP3 OH248329 3.092 0.621 2.420 + 1400TIP3 H148330 3.152 0.582 2.355 + 1400TIP3 H248331 3.103 0.716 2.401 + 1400TIP3 OH248332 2.966 0.911 2.641 + 1400TIP3 H148333 2.898 0.954 2.697 + 1400TIP3 H248334 2.912 0.870 2.571 + 1400TIP3 OH248335 3.131 0.316 1.583 + 1400TIP3 H148336 3.090 0.350 1.501 + 1400TIP3 H248337 3.130 0.396 1.638 + 1401TIP3 OH248338 2.941 0.181 2.022 + 1401TIP3 H148339 2.912 0.097 1.981 + 1401TIP3 H248340 2.873 0.194 2.091 + 1401TIP3 OH248341 1.396 0.404 2.372 + 1401TIP3 H148342 1.418 0.413 2.277 + 1401TIP3 H248343 1.485 0.383 2.409 + 1401TIP3 OH248344 2.975 0.377 2.909 + 1401TIP3 H148345 3.043 0.314 2.940 + 1401TIP3 H248346 3.022 0.461 2.910 + 1401TIP3 OH248347 3.127 0.191 3.039 + 1401TIP3 H148348 3.048 0.135 3.019 + 1401TIP3 H248349 3.197 0.123 3.039 + 1401TIP3 OH248350 2.889 -0.056 1.833 + 1401TIP3 H148351 2.900 -0.153 1.832 + 1401TIP3 H248352 2.962 -0.029 1.775 + 1401TIP3 OH248353 2.968 0.027 2.364 + 1401TIP3 H148354 3.048 0.002 2.412 + 1401TIP3 H248355 2.905 0.007 2.436 + 1401TIP3 OH248356 2.937 0.063 2.646 + 1401TIP3 H148357 2.850 0.092 2.678 + 1401TIP3 H248358 2.980 0.148 2.628 + 1401TIP3 OH248359 1.387 -0.058 3.016 + 1401TIP3 H148360 1.480 -0.084 3.022 + 1401TIP3 H248361 1.342 -0.144 3.024 + 1401TIP3 OH248362 3.190 -0.518 3.176 + 1401TIP3 H148363 3.234 -0.587 3.125 + 1401TIP3 H248364 3.197 -0.440 3.118 + 1401TIP3 OH248365 2.919 -0.343 1.828 + 1401TIP3 H148366 2.924 -0.393 1.911 + 1401TIP3 H248367 2.853 -0.396 1.780 + 1402TIP3 OH248368 1.466 -0.228 2.295 + 1402TIP3 H148369 1.510 -0.314 2.302 + 1402TIP3 H248370 1.532 -0.168 2.334 + 1402TIP3 OH248371 1.324 0.040 2.404 + 1402TIP3 H148372 1.371 0.044 2.319 + 1402TIP3 H248373 1.354 0.122 2.446 + 1402TIP3 OH248374 3.133 -0.311 3.000 + 1402TIP3 H148375 3.044 -0.273 3.013 + 1402TIP3 H248376 3.115 -0.369 2.923 + 1402TIP3 OH248377 3.133 -0.283 1.482 + 1402TIP3 H148378 3.147 -0.369 1.439 + 1402TIP3 H248379 3.224 -0.251 1.494 + 1402TIP3 OH248380 1.394 -0.315 1.796 + 1402TIP3 H148381 1.297 -0.327 1.800 + 1402TIP3 H248382 1.400 -0.256 1.720 + 1402TIP3 OH248383 2.832 1.197 2.021 + 1402TIP3 H148384 2.875 1.180 1.935 + 1402TIP3 H248385 2.900 1.246 2.068 + 1402TIP3 OH248386 1.372 -0.434 2.622 + 1402TIP3 H148387 1.301 -0.462 2.682 + 1402TIP3 H248388 1.321 -0.383 2.556 + 1402TIP3 OH248389 1.570 0.879 3.089 + 1402TIP3 H148390 1.496 0.873 3.027 + 1402TIP3 H248391 1.527 0.868 3.175 + 1402TIP3 OH248392 1.855 0.973 2.657 + 1402TIP3 H148393 1.821 1.057 2.623 + 1402TIP3 H248394 1.950 0.982 2.637 + 1402TIP3 OH248395 2.308 1.100 2.958 + 1402TIP3 H148396 2.312 1.086 3.054 + 1402TIP3 H248397 2.391 1.148 2.941 + 1403TIP3 OH248398 2.543 1.237 2.869 + 1403TIP3 H148399 2.608 1.168 2.885 + 1403TIP3 H248400 2.557 1.290 2.950 + 1403TIP3 OH248401 3.020 -0.489 2.798 + 1403TIP3 H148402 2.935 -0.475 2.753 + 1403TIP3 H248403 3.040 -0.581 2.770 + 1403TIP3 OH248404 1.594 1.270 2.691 + 1403TIP3 H148405 1.533 1.331 2.646 + 1403TIP3 H248406 1.557 1.271 2.780 + 1403TIP3 OH248407 1.844 1.247 2.548 + 1403TIP3 H148408 1.757 1.263 2.589 + 1403TIP3 H248409 1.844 1.314 2.477 + 1403TIP3 OH248410 2.366 1.229 2.499 + 1403TIP3 H148411 2.305 1.268 2.433 + 1403TIP3 H248412 2.359 1.297 2.569 + 1403TIP3 OH248413 2.765 1.270 2.595 + 1403TIP3 H148414 2.762 1.367 2.599 + 1403TIP3 H248415 2.826 1.259 2.521 + 1403TIP3 OH248416 1.552 1.150 2.387 + 1403TIP3 H148417 1.549 1.098 2.470 + 1403TIP3 H248418 1.624 1.104 2.339 + 1403TIP3 OH248419 1.748 1.022 2.231 + 1403TIP3 H148420 1.736 0.927 2.250 + 1403TIP3 H248421 1.841 1.036 2.255 + 1403TIP3 OH248422 2.039 1.073 2.317 + 1403TIP3 H148423 2.043 0.980 2.290 + 1403TIP3 H248424 2.030 1.063 2.413 + 1403TIP3 OH248425 2.362 -0.342 2.245 + 1403TIP3 H148426 2.292 -0.409 2.261 + 1403TIP3 H248427 2.415 -0.386 2.178 + 1404TIP3 OH248428 2.856 -0.535 2.292 + 1404TIP3 H148429 2.930 -0.493 2.244 + 1404TIP3 H248430 2.779 -0.510 2.239 + 1404TIP3 OH248431 3.074 -0.425 2.092 + 1404TIP3 H148432 3.126 -0.461 2.019 + 1404TIP3 H248433 3.089 -0.329 2.083 + 1404TIP3 OH248434 2.040 -0.485 1.997 + 1404TIP3 H148435 2.129 -0.463 1.968 + 1404TIP3 H248436 2.052 -0.504 2.090 + 1404TIP3 OH248437 2.615 -0.491 2.134 + 1404TIP3 H148438 2.614 -0.497 2.037 + 1404TIP3 H248439 2.561 -0.569 2.159 + 1404TIP3 OH248440 2.133 -0.318 1.692 + 1404TIP3 H148441 2.194 -0.381 1.732 + 1404TIP3 H248442 2.185 -0.237 1.695 + 1404TIP3 OH248443 2.355 1.243 1.508 + 1404TIP3 H148444 2.452 1.245 1.504 + 1404TIP3 H248445 2.336 1.177 1.438 + 1404TIP3 OH248446 3.013 1.162 1.778 + 1404TIP3 H148447 2.988 1.078 1.734 + 1404TIP3 H248448 3.007 1.224 1.704 + 1404TIP3 OH248449 1.576 -0.445 2.958 + 1404TIP3 H148450 1.534 -0.526 2.992 + 1404TIP3 H248451 1.668 -0.459 2.985 + 1404TIP3 OH248452 1.813 -0.508 3.130 + 1404TIP3 H148453 1.895 -0.544 3.090 + 1404TIP3 H248454 1.778 -0.587 3.173 + 1404TIP3 OH248455 1.667 1.215 1.408 + 1404TIP3 H148456 1.596 1.223 1.474 + 1404TIP3 H248457 1.680 1.119 1.406 + 1405TIP3 OH248458 2.626 -0.598 3.146 + 1405TIP3 H148459 2.627 -0.639 3.234 + 1405TIP3 H248460 2.720 -0.600 3.122 + 1405TIP3 OH248461 2.966 1.039 3.011 + 1405TIP3 H148462 2.888 1.016 2.957 + 1405TIP3 H248463 2.945 1.130 3.037 + 1405TIP3 OH248464 4.207 0.326 2.341 + 1405TIP3 H148465 4.286 0.336 2.396 + 1405TIP3 H248466 4.244 0.304 2.255 + 1405TIP3 OH248467 3.505 0.314 2.505 + 1405TIP3 H148468 3.507 0.236 2.563 + 1405TIP3 H248469 3.582 0.363 2.539 + 1405TIP3 OH248470 3.581 0.767 2.347 + 1405TIP3 H148471 3.557 0.676 2.323 + 1405TIP3 H248472 3.672 0.754 2.379 + 1405TIP3 OH248473 3.258 0.117 1.911 + 1405TIP3 H148474 3.232 0.204 1.877 + 1405TIP3 H248475 3.211 0.058 1.850 + 1405TIP3 OH248476 4.121 0.603 2.401 + 1405TIP3 H148477 4.143 0.522 2.350 + 1405TIP3 H248478 4.202 0.616 2.450 + 1405TIP3 OH248479 3.743 -0.166 2.160 + 1405TIP3 H148480 3.759 -0.081 2.115 + 1405TIP3 H248481 3.711 -0.219 2.085 + 1405TIP3 OH248482 3.947 0.241 2.153 + 1405TIP3 H148483 4.024 0.191 2.185 + 1405TIP3 H248484 3.900 0.171 2.103 + 1405TIP3 OH248485 3.623 -0.265 2.549 + 1405TIP3 H148486 3.588 -0.200 2.486 + 1405TIP3 H248487 3.557 -0.259 2.621 + 1406TIP3 OH248488 3.915 0.497 2.581 + 1406TIP3 H148489 3.842 0.557 2.607 + 1406TIP3 H248490 3.981 0.558 2.545 + 1406TIP3 OH248491 3.555 -0.053 2.349 + 1406TIP3 H148492 3.621 0.001 2.397 + 1406TIP3 H248493 3.610 -0.084 2.274 + 1406TIP3 OH248494 3.713 0.688 2.648 + 1406TIP3 H148495 3.713 0.783 2.625 + 1406TIP3 H248496 3.629 0.681 2.697 + 1406TIP3 OH248497 3.341 0.660 1.743 + 1406TIP3 H148498 3.329 0.707 1.659 + 1406TIP3 H248499 3.362 0.732 1.806 + 1406TIP3 OH248500 4.043 -0.539 2.280 + 1406TIP3 H148501 4.018 -0.633 2.282 + 1406TIP3 H248502 3.964 -0.498 2.320 + 1406TIP3 OH248503 4.269 0.344 1.746 + 1406TIP3 H148504 4.200 0.410 1.730 + 1406TIP3 H248505 4.331 0.364 1.676 + 1406TIP3 OH248506 4.289 0.189 1.466 + 1406TIP3 H148507 4.372 0.186 1.517 + 1406TIP3 H248508 4.296 0.111 1.409 + 1406TIP3 OH248509 3.763 0.435 2.040 + 1406TIP3 H148510 3.728 0.390 1.961 + 1406TIP3 H248511 3.825 0.368 2.075 + 1406TIP3 OH248512 3.900 0.780 2.313 + 1406TIP3 H148513 3.889 0.733 2.229 + 1406TIP3 H248514 3.976 0.732 2.352 + 1406TIP3 OH248515 3.807 0.323 2.387 + 1406TIP3 H148516 3.870 0.312 2.313 + 1406TIP3 H248517 3.857 0.379 2.449 + 1407TIP3 OH248518 3.905 0.752 2.871 + 1407TIP3 H148519 3.852 0.815 2.923 + 1407TIP3 H248520 3.839 0.722 2.805 + 1407TIP3 OH248521 3.594 0.391 2.784 + 1407TIP3 H148522 3.599 0.444 2.865 + 1407TIP3 H248523 3.499 0.372 2.778 + 1407TIP3 OH248524 4.208 0.982 1.986 + 1407TIP3 H148525 4.300 0.992 2.016 + 1407TIP3 H248526 4.211 1.015 1.894 + 1407TIP3 OH248527 3.710 0.966 2.956 + 1407TIP3 H148528 3.699 0.967 2.859 + 1407TIP3 H248529 3.623 0.939 2.989 + 1407TIP3 OH248530 3.651 0.309 1.794 + 1407TIP3 H148531 3.632 0.385 1.736 + 1407TIP3 H248532 3.587 0.244 1.763 + 1407TIP3 OH248533 3.259 0.574 2.662 + 1407TIP3 H148534 3.202 0.572 2.583 + 1407TIP3 H248535 3.270 0.480 2.685 + 1407TIP3 OH248536 3.260 0.864 2.363 + 1407TIP3 H148537 3.354 0.841 2.366 + 1407TIP3 H248538 3.255 0.930 2.434 + 1407TIP3 OH248539 4.171 0.855 2.818 + 1407TIP3 H148540 4.179 0.939 2.865 + 1407TIP3 H248541 4.082 0.822 2.844 + 1407TIP3 OH248542 4.196 1.234 1.833 + 1407TIP3 H148543 4.198 1.219 1.737 + 1407TIP3 H248544 4.209 1.329 1.840 + 1407TIP3 OH248545 3.577 1.145 1.976 + 1407TIP3 H148546 3.588 1.101 2.062 + 1407TIP3 H248547 3.492 1.109 1.946 + 1408TIP3 OH248548 3.475 0.731 2.791 + 1408TIP3 H148549 3.503 0.685 2.874 + 1408TIP3 H248550 3.404 0.673 2.757 + 1408TIP3 OH248551 3.795 -0.425 2.369 + 1408TIP3 H148552 3.715 -0.432 2.315 + 1408TIP3 H248553 3.772 -0.347 2.422 + 1408TIP3 OH248554 4.234 -0.488 2.793 + 1408TIP3 H148555 4.247 -0.558 2.860 + 1408TIP3 H248556 4.143 -0.508 2.763 + 1408TIP3 OH248557 4.233 -0.208 1.471 + 1408TIP3 H148558 4.167 -0.227 1.539 + 1408TIP3 H248559 4.206 -0.271 1.402 + 1408TIP3 OH248560 3.764 0.050 2.503 + 1408TIP3 H148561 3.720 0.062 2.589 + 1408TIP3 H248562 3.782 0.141 2.475 + 1408TIP3 OH248563 3.774 0.062 1.999 + 1408TIP3 H148564 3.678 0.050 1.988 + 1408TIP3 H248565 3.805 0.044 1.908 + 1408TIP3 OH248566 4.270 0.099 1.934 + 1408TIP3 H148567 4.280 0.194 1.913 + 1408TIP3 H248568 4.360 0.066 1.947 + 1408TIP3 OH248569 4.250 0.146 3.031 + 1408TIP3 H148570 4.194 0.065 3.045 + 1408TIP3 H248571 4.337 0.102 3.029 + 1408TIP3 OH248572 3.509 0.074 2.694 + 1408TIP3 H148573 3.547 0.102 2.778 + 1408TIP3 H248574 3.483 -0.018 2.715 + 1408TIP3 OH248575 3.862 -0.164 1.353 + 1408TIP3 H148576 3.820 -0.206 1.430 + 1408TIP3 H248577 3.788 -0.150 1.293 + 1409TIP3 OH248578 3.205 -0.159 2.065 + 1409TIP3 H148579 3.264 -0.193 2.135 + 1409TIP3 H248580 3.233 -0.210 1.986 + 1409TIP3 OH248581 3.351 -0.140 1.628 + 1409TIP3 H148582 3.408 -0.094 1.563 + 1409TIP3 H248583 3.281 -0.074 1.641 + 1409TIP3 OH248584 4.345 0.201 2.632 + 1409TIP3 H148585 4.378 0.136 2.568 + 1409TIP3 H248586 4.274 0.149 2.673 + 1409TIP3 OH248587 4.047 -0.198 2.101 + 1409TIP3 H148588 3.954 -0.189 2.127 + 1409TIP3 H248589 4.091 -0.180 2.186 + 1409TIP3 OH248590 3.513 -0.047 1.991 + 1409TIP3 H148591 3.428 -0.023 1.949 + 1409TIP3 H248592 3.540 -0.127 1.943 + 1409TIP3 OH248593 3.869 -0.023 1.734 + 1409TIP3 H148594 3.965 -0.012 1.741 + 1409TIP3 H248595 3.844 0.038 1.662 + 1409TIP3 OH248596 3.722 0.104 1.513 + 1409TIP3 H148597 3.662 0.076 1.442 + 1409TIP3 H248598 3.803 0.120 1.462 + 1409TIP3 OH248599 3.582 0.578 3.010 + 1409TIP3 H148600 3.650 0.586 3.081 + 1409TIP3 H248601 3.502 0.574 3.065 + 1409TIP3 OH248602 4.140 0.042 2.243 + 1409TIP3 H148603 4.216 0.007 2.197 + 1409TIP3 H248604 4.163 0.026 2.336 + 1409TIP3 OH248605 3.673 -0.275 1.908 + 1409TIP3 H148606 3.621 -0.357 1.915 + 1409TIP3 H248607 3.752 -0.305 1.860 + 1410TIP3 OH248608 4.050 -0.089 2.511 + 1410TIP3 H148609 3.979 -0.024 2.497 + 1410TIP3 H248610 4.102 -0.048 2.584 + 1410TIP3 OH248611 4.071 0.550 1.700 + 1410TIP3 H148612 3.994 0.501 1.663 + 1410TIP3 H248613 4.048 0.555 1.796 + 1410TIP3 OH248614 4.198 0.547 2.821 + 1410TIP3 H148615 4.188 0.535 2.916 + 1410TIP3 H248616 4.214 0.642 2.812 + 1410TIP3 OH248617 3.557 0.485 2.261 + 1410TIP3 H148618 3.625 0.485 2.191 + 1410TIP3 H248619 3.589 0.414 2.318 + 1410TIP3 OH248620 4.287 0.689 1.600 + 1410TIP3 H148621 4.260 0.778 1.629 + 1410TIP3 H248622 4.210 0.636 1.629 + 1410TIP3 OH248623 3.297 0.326 2.802 + 1410TIP3 H148624 3.322 0.290 2.890 + 1410TIP3 H248625 3.243 0.254 2.766 + 1410TIP3 OH248626 4.002 0.280 3.003 + 1410TIP3 H148627 3.972 0.249 2.916 + 1410TIP3 H248628 4.095 0.252 3.001 + 1410TIP3 OH248629 3.813 0.828 2.003 + 1410TIP3 H148630 3.857 0.914 1.991 + 1410TIP3 H248631 3.722 0.848 1.979 + 1410TIP3 OH248632 3.415 0.308 1.471 + 1410TIP3 H148633 3.477 0.375 1.505 + 1410TIP3 H248634 3.329 0.347 1.492 + 1410TIP3 OH248635 3.997 0.600 1.967 + 1410TIP3 H148636 3.963 0.689 1.981 + 1410TIP3 H248637 3.927 0.546 2.008 + 1411TIP3 OH248638 4.018 1.027 2.608 + 1411TIP3 H148639 4.075 1.097 2.571 + 1411TIP3 H248640 4.083 0.974 2.657 + 1411TIP3 OH248641 3.868 1.124 1.937 + 1411TIP3 H148642 3.771 1.128 1.938 + 1411TIP3 H248643 3.891 1.218 1.955 + 1411TIP3 OH248644 3.440 -0.207 2.759 + 1411TIP3 H148645 3.347 -0.185 2.742 + 1411TIP3 H248646 3.431 -0.292 2.807 + 1411TIP3 OH248647 3.414 0.967 2.605 + 1411TIP3 H148648 3.443 0.877 2.627 + 1411TIP3 H248649 3.431 1.011 2.690 + 1411TIP3 OH248650 3.995 0.840 1.311 + 1411TIP3 H148651 4.028 0.765 1.256 + 1411TIP3 H248652 3.955 0.791 1.385 + 1411TIP3 OH248653 3.885 0.781 1.585 + 1411TIP3 H148654 3.934 0.729 1.650 + 1411TIP3 H248655 3.898 0.873 1.616 + 1411TIP3 OH248656 3.565 0.530 1.619 + 1411TIP3 H148657 3.494 0.570 1.672 + 1411TIP3 H248658 3.614 0.609 1.589 + 1411TIP3 OH248659 4.335 -0.181 2.677 + 1411TIP3 H148660 4.391 -0.257 2.695 + 1411TIP3 H248661 4.273 -0.218 2.613 + 1411TIP3 OH248662 4.174 0.961 1.650 + 1411TIP3 H148663 4.084 0.999 1.650 + 1411TIP3 H248664 4.210 0.997 1.568 + 1411TIP3 OH248665 4.127 -0.101 1.838 + 1411TIP3 H148666 4.187 -0.026 1.862 + 1411TIP3 H248667 4.094 -0.120 1.928 + 1412TIP3 OH248668 4.168 0.012 2.760 + 1412TIP3 H148669 4.185 0.055 2.844 + 1412TIP3 H248670 4.233 -0.061 2.758 + 1412TIP3 OH248671 4.193 -0.384 1.958 + 1412TIP3 H148672 4.165 -0.306 2.012 + 1412TIP3 H248673 4.272 -0.349 1.913 + 1412TIP3 OH248674 3.899 1.054 1.642 + 1412TIP3 H148675 3.891 1.132 1.583 + 1412TIP3 H248676 3.882 1.094 1.729 + 1412TIP3 OH248677 3.767 -0.277 1.592 + 1412TIP3 H148678 3.774 -0.197 1.646 + 1412TIP3 H248679 3.850 -0.324 1.614 + 1412TIP3 OH248680 3.611 0.809 1.497 + 1412TIP3 H148681 3.684 0.859 1.535 + 1412TIP3 H248682 3.658 0.761 1.428 + 1412TIP3 OH248683 3.425 0.028 1.411 + 1412TIP3 H148684 3.437 0.123 1.429 + 1412TIP3 H248685 3.345 0.027 1.357 + 1412TIP3 OH248686 3.511 -0.466 2.282 + 1412TIP3 H148687 3.496 -0.474 2.186 + 1412TIP3 H248688 3.483 -0.553 2.316 + 1412TIP3 OH248689 3.404 0.881 1.914 + 1412TIP3 H148690 3.327 0.934 1.937 + 1412TIP3 H248691 3.443 0.934 1.843 + 1412TIP3 OH248692 3.347 1.172 3.026 + 1412TIP3 H148693 3.403 1.147 3.101 + 1412TIP3 H248694 3.306 1.087 3.001 + 1412TIP3 OH248695 3.816 1.080 3.206 + 1412TIP3 H148696 3.882 1.012 3.227 + 1412TIP3 H248697 3.790 1.053 3.117 + 1413TIP3 OH248698 4.229 1.000 1.348 + 1413TIP3 H148699 4.146 0.948 1.339 + 1413TIP3 H248700 4.293 0.931 1.327 + 1413TIP3 OH248701 3.343 0.538 3.139 + 1413TIP3 H148702 3.350 0.445 3.111 + 1413TIP3 H248703 3.263 0.566 3.091 + 1413TIP3 OH248704 3.763 0.580 1.343 + 1413TIP3 H148705 3.781 0.518 1.416 + 1413TIP3 H248706 3.847 0.575 1.293 + 1413TIP3 OH248707 4.007 0.557 3.073 + 1413TIP3 H148708 3.980 0.588 2.985 + 1413TIP3 H248709 4.016 0.460 3.060 + 1413TIP3 OH248710 4.260 0.711 1.298 + 1413TIP3 H148711 4.280 0.720 1.393 + 1413TIP3 H248712 4.245 0.616 1.290 + 1413TIP3 OH248713 3.427 0.254 3.054 + 1413TIP3 H148714 3.498 0.186 3.053 + 1413TIP3 H248715 3.421 0.271 3.149 + 1413TIP3 OH248716 3.872 0.385 1.575 + 1413TIP3 H148717 3.810 0.333 1.629 + 1413TIP3 H248718 3.904 0.317 1.512 + 1413TIP3 OH248719 3.793 0.162 2.789 + 1413TIP3 H148720 3.744 0.239 2.822 + 1413TIP3 H248721 3.859 0.204 2.731 + 1413TIP3 OH248722 3.978 0.188 1.405 + 1413TIP3 H148723 3.968 0.191 1.308 + 1413TIP3 H248724 4.075 0.197 1.414 + 1413TIP3 OH248725 4.285 0.412 3.171 + 1413TIP3 H148726 4.354 0.379 3.113 + 1413TIP3 H248727 4.267 0.332 3.223 + 1414TIP3 OH248728 3.856 -0.106 2.917 + 1414TIP3 H148729 3.862 -0.174 2.847 + 1414TIP3 H248730 3.837 -0.026 2.865 + 1414TIP3 OH248731 3.882 -0.261 2.657 + 1414TIP3 H148732 3.936 -0.207 2.596 + 1414TIP3 H248733 3.793 -0.254 2.618 + 1414TIP3 OH248734 4.059 0.278 2.690 + 1414TIP3 H148735 4.136 0.274 2.632 + 1414TIP3 H248736 4.030 0.370 2.676 + 1414TIP3 OH248737 3.673 0.079 3.086 + 1414TIP3 H148738 3.618 -0.000 3.096 + 1414TIP3 H248739 3.756 0.041 3.051 + 1414TIP3 OH248740 3.973 -0.523 2.694 + 1414TIP3 H148741 3.947 -0.430 2.678 + 1414TIP3 H248742 3.906 -0.571 2.641 + 1414TIP3 OH248743 4.101 -0.078 3.070 + 1414TIP3 H148744 4.070 -0.111 3.155 + 1414TIP3 H248745 4.027 -0.105 3.013 + 1414TIP3 OH248746 3.534 -0.178 3.076 + 1414TIP3 H148747 3.532 -0.252 3.014 + 1414TIP3 H248748 3.520 -0.223 3.161 + 1414TIP3 OH248749 3.947 -0.576 2.979 + 1414TIP3 H148750 4.002 -0.655 2.987 + 1414TIP3 H248751 3.947 -0.561 2.883 + 1414TIP3 OH248752 4.041 -0.393 3.173 + 1414TIP3 H148753 4.009 -0.456 3.105 + 1414TIP3 H248754 3.967 -0.332 3.181 + 1414TIP3 OH248755 3.958 1.306 1.514 + 1414TIP3 H148756 4.054 1.316 1.517 + 1414TIP3 H248757 3.938 1.356 1.433 + 1415TIP3 OH248758 3.336 0.747 1.469 + 1415TIP3 H148759 3.432 0.768 1.477 + 1415TIP3 H248760 3.337 0.673 1.406 + 1415TIP3 OH248761 3.236 1.269 1.936 + 1415TIP3 H148762 3.163 1.234 1.882 + 1415TIP3 H248763 3.242 1.202 2.007 + 1415TIP3 OH248764 3.273 1.072 2.138 + 1415TIP3 H148765 3.243 0.985 2.170 + 1415TIP3 H248766 3.307 1.110 2.220 + 1415TIP3 OH248767 3.291 0.368 2.324 + 1415TIP3 H148768 3.343 0.421 2.261 + 1415TIP3 H248769 3.357 0.367 2.397 + 1415TIP3 OH248770 3.274 -0.058 3.009 + 1415TIP3 H148771 3.367 -0.085 3.025 + 1415TIP3 H248772 3.228 -0.143 3.023 + 1415TIP3 OH248773 3.342 -0.221 2.307 + 1415TIP3 H148774 3.392 -0.305 2.311 + 1415TIP3 H248775 3.415 -0.157 2.325 + 1415TIP3 OH248776 3.230 -0.315 1.816 + 1415TIP3 H148777 3.139 -0.316 1.781 + 1415TIP3 H248778 3.279 -0.267 1.747 + 1415TIP3 OH248779 3.256 -0.432 2.624 + 1415TIP3 H148780 3.189 -0.464 2.687 + 1415TIP3 H248781 3.201 -0.393 2.556 + 1415TIP3 OH248782 3.456 0.877 3.090 + 1415TIP3 H148783 3.383 0.874 3.027 + 1415TIP3 H248784 3.411 0.870 3.175 + 1415TIP3 OH248785 3.740 0.971 2.655 + 1415TIP3 H148786 3.710 1.058 2.624 + 1415TIP3 H248787 3.836 0.982 2.639 + 1416TIP3 OH248788 4.220 1.138 2.947 + 1416TIP3 H148789 4.204 1.100 3.035 + 1416TIP3 H248790 4.316 1.158 2.955 + 1416TIP3 OH248791 3.476 1.268 2.690 + 1416TIP3 H148792 3.416 1.332 2.647 + 1416TIP3 H248793 3.445 1.273 2.781 + 1416TIP3 OH248794 3.726 1.245 2.545 + 1416TIP3 H148795 3.643 1.265 2.592 + 1416TIP3 H248796 3.729 1.317 2.479 + 1416TIP3 OH248797 4.180 1.236 2.473 + 1416TIP3 H148798 4.150 1.314 2.425 + 1416TIP3 H248799 4.250 1.273 2.527 + 1416TIP3 OH248800 3.434 1.147 2.384 + 1416TIP3 H148801 3.434 1.101 2.470 + 1416TIP3 H248802 3.512 1.106 2.342 + 1416TIP3 OH248803 3.638 1.022 2.232 + 1416TIP3 H148804 3.622 0.928 2.255 + 1416TIP3 H248805 3.727 1.036 2.268 + 1416TIP3 OH248806 3.952 1.086 2.291 + 1416TIP3 H148807 3.940 0.990 2.291 + 1416TIP3 H248808 3.935 1.107 2.385 + 1416TIP3 OH248809 4.262 -0.371 2.251 + 1416TIP3 H148810 4.180 -0.422 2.262 + 1416TIP3 H248811 4.299 -0.412 2.172 + 1416TIP3 OH248812 3.477 -0.487 2.000 + 1416TIP3 H148813 3.392 -0.500 1.952 + 1416TIP3 H248814 3.521 -0.572 1.983 + 1416TIP3 OH248815 3.375 -0.525 1.597 + 1416TIP3 H148816 3.416 -0.456 1.543 + 1416TIP3 H248817 3.317 -0.474 1.656 + 1417TIP3 OH248818 3.931 -0.489 1.995 + 1417TIP3 H148819 4.023 -0.458 1.982 + 1417TIP3 H248820 3.929 -0.498 2.091 + 1417TIP3 OH248821 3.380 1.075 1.709 + 1417TIP3 H148822 3.317 1.063 1.637 + 1417TIP3 H248823 3.378 1.172 1.716 + 1417TIP3 OH248824 3.533 -0.339 1.438 + 1417TIP3 H148825 3.591 -0.394 1.383 + 1417TIP3 H248826 3.595 -0.308 1.506 + 1417TIP3 OH248827 4.063 -0.321 1.691 + 1417TIP3 H148828 4.067 -0.383 1.765 + 1417TIP3 H248829 4.064 -0.235 1.738 + 1417TIP3 OH248830 4.263 1.239 1.518 + 1417TIP3 H148831 4.350 1.277 1.500 + 1417TIP3 H248832 4.249 1.180 1.442 + 1417TIP3 OH248833 3.464 -0.446 2.955 + 1417TIP3 H148834 3.419 -0.525 2.991 + 1417TIP3 H248835 3.554 -0.462 2.987 + 1417TIP3 OH248836 3.696 -0.510 3.128 + 1417TIP3 H148837 3.779 -0.546 3.091 + 1417TIP3 H248838 3.664 -0.587 3.177 + 1417TIP3 OH248839 3.522 1.168 1.388 + 1417TIP3 H148840 3.500 1.198 1.477 + 1417TIP3 H248841 3.600 1.113 1.402 + 1417TIP3 OH248842 -3.163 2.292 2.034 + 1417TIP3 H148843 -3.161 2.389 2.033 + 1417TIP3 H248844 -3.235 2.274 1.972 + 1417TIP3 OH248845 -3.283 2.238 2.344 + 1417TIP3 H148846 -3.280 2.171 2.415 + 1417TIP3 H248847 -3.301 2.182 2.267 + 1418TIP3 OH248848 -4.035 2.203 2.511 + 1418TIP3 H148849 -4.027 2.125 2.567 + 1418TIP3 H248850 -3.954 2.252 2.531 + 1418TIP3 OH248851 -2.911 2.512 2.170 + 1418TIP3 H148852 -2.941 2.434 2.220 + 1418TIP3 H248853 -2.874 2.566 2.240 + 1418TIP3 OH248854 -3.957 2.657 2.350 + 1418TIP3 H148855 -3.987 2.567 2.327 + 1418TIP3 H248856 -3.865 2.638 2.374 + 1418TIP3 OH248857 -4.207 1.979 1.817 + 1418TIP3 H148858 -4.168 2.023 1.894 + 1418TIP3 H248859 -4.218 1.888 1.848 + 1418TIP3 OH248860 -4.208 2.222 2.100 + 1418TIP3 H148861 -4.164 2.145 2.141 + 1418TIP3 H248862 -4.136 2.258 2.047 + 1418TIP3 OH248863 -3.209 3.039 2.218 + 1418TIP3 H148864 -3.141 2.973 2.197 + 1418TIP3 H248865 -3.226 3.026 2.312 + 1418TIP3 OH248866 -3.380 2.501 2.410 + 1418TIP3 H148867 -3.381 2.440 2.333 + 1418TIP3 H248868 -3.354 2.437 2.477 + 1418TIP3 OH248869 -2.562 1.639 2.457 + 1418TIP3 H148870 -2.535 1.698 2.529 + 1418TIP3 H248871 -2.498 1.666 2.387 + 1418TIP3 OH248872 -3.099 1.919 2.443 + 1418TIP3 H148873 -3.080 1.824 2.451 + 1418TIP3 H248874 -3.106 1.929 2.347 + 1418TIP3 OH248875 -3.788 1.710 2.166 + 1418TIP3 H148876 -3.829 1.798 2.162 + 1418TIP3 H248877 -3.829 1.668 2.087 + 1419TIP3 OH248878 -3.014 1.739 1.986 + 1419TIP3 H148879 -2.956 1.696 2.052 + 1419TIP3 H248880 -2.948 1.781 1.929 + 1419TIP3 OH248881 -3.611 2.109 2.131 + 1419TIP3 H148882 -3.547 2.053 2.178 + 1419TIP3 H248883 -3.679 2.045 2.105 + 1419TIP3 OH248884 -2.487 1.773 2.705 + 1419TIP3 H148885 -2.547 1.845 2.678 + 1419TIP3 H248886 -2.502 1.774 2.801 + 1419TIP3 OH248887 -3.898 1.656 2.579 + 1419TIP3 H148888 -3.926 1.676 2.489 + 1419TIP3 H248889 -3.984 1.637 2.622 + 1419TIP3 OH248890 -3.174 2.573 1.912 + 1419TIP3 H148891 -3.199 2.547 1.823 + 1419TIP3 H248892 -3.218 2.660 1.923 + 1419TIP3 OH248893 -3.621 2.394 2.575 + 1419TIP3 H148894 -3.701 2.439 2.609 + 1419TIP3 H248895 -3.569 2.469 2.545 + 1419TIP3 OH248896 -2.832 1.662 2.187 + 1419TIP3 H148897 -2.869 1.600 2.252 + 1419TIP3 H248898 -2.778 1.719 2.244 + 1419TIP3 OH248899 -3.827 2.572 2.654 + 1419TIP3 H148900 -3.831 2.665 2.623 + 1419TIP3 H248901 -3.916 2.566 2.694 + 1419TIP3 OH248902 -4.181 2.539 1.743 + 1419TIP3 H148903 -4.264 2.554 1.692 + 1419TIP3 H248904 -4.193 2.598 1.819 + 1419TIP3 OH248905 -2.888 2.697 2.428 + 1419TIP3 H148906 -2.951 2.769 2.416 + 1419TIP3 H248907 -2.812 2.740 2.385 + 1420TIP3 OH248908 -2.819 1.576 2.571 + 1420TIP3 H148909 -2.895 1.615 2.525 + 1420TIP3 H248910 -2.746 1.595 2.510 + 1420TIP3 OH248911 -3.506 1.349 2.278 + 1420TIP3 H148912 -3.526 1.254 2.270 + 1420TIP3 H248913 -3.590 1.383 2.315 + 1420TIP3 OH248914 -3.017 2.879 2.091 + 1420TIP3 H148915 -2.976 2.802 2.046 + 1420TIP3 H248916 -2.956 2.950 2.064 + 1420TIP3 OH248917 -2.883 2.675 1.939 + 1420TIP3 H148918 -2.919 2.623 1.865 + 1420TIP3 H248919 -2.883 2.608 2.010 + 1420TIP3 OH248920 -2.738 2.556 2.784 + 1420TIP3 H148921 -2.730 2.485 2.717 + 1420TIP3 H248922 -2.703 2.633 2.737 + 1420TIP3 OH248923 -3.293 2.247 1.759 + 1420TIP3 H148924 -3.362 2.299 1.714 + 1420TIP3 H248925 -3.223 2.245 1.691 + 1420TIP3 OH248926 -3.267 2.062 1.463 + 1420TIP3 H148927 -3.195 2.093 1.521 + 1420TIP3 H248928 -3.218 2.003 1.403 + 1420TIP3 OH248929 -2.546 2.167 2.580 + 1420TIP3 H148930 -2.617 2.234 2.590 + 1420TIP3 H248931 -2.497 2.202 2.503 + 1420TIP3 OH248932 -2.945 2.243 1.864 + 1420TIP3 H148933 -3.013 2.261 1.933 + 1420TIP3 H248934 -2.883 2.186 1.914 + 1420TIP3 OH248935 -2.961 2.093 2.745 + 1420TIP3 H148936 -2.955 2.169 2.804 + 1420TIP3 H248937 -3.023 2.129 2.680 + 1421TIP3 OH248938 -3.774 2.324 2.037 + 1421TIP3 H148939 -3.819 2.282 1.960 + 1421TIP3 H248940 -3.723 2.248 2.071 + 1421TIP3 OH248941 -3.642 2.658 2.315 + 1421TIP3 H148942 -3.660 2.619 2.228 + 1421TIP3 H248943 -3.560 2.615 2.342 + 1421TIP3 OH248944 -3.712 2.191 2.395 + 1421TIP3 H148945 -3.667 2.207 2.311 + 1421TIP3 H248946 -3.682 2.265 2.451 + 1421TIP3 OH248947 -3.641 2.634 2.869 + 1421TIP3 H148948 -3.692 2.697 2.923 + 1421TIP3 H248949 -3.709 2.607 2.804 + 1421TIP3 OH248950 -3.050 2.190 1.609 + 1421TIP3 H148951 -3.001 2.214 1.690 + 1421TIP3 H248952 -3.000 2.239 1.540 + 1421TIP3 OH248953 -3.951 2.257 2.796 + 1421TIP3 H148954 -3.943 2.322 2.868 + 1421TIP3 H248955 -4.044 2.266 2.772 + 1421TIP3 OH248956 -3.294 2.848 1.964 + 1421TIP3 H148957 -3.247 2.879 2.043 + 1421TIP3 H248958 -3.361 2.916 1.951 + 1421TIP3 OH248959 -3.835 2.844 2.957 + 1421TIP3 H148960 -3.846 2.851 2.860 + 1421TIP3 H248961 -3.927 2.831 2.987 + 1421TIP3 OH248962 -2.707 1.363 1.555 + 1421TIP3 H148963 -2.792 1.372 1.602 + 1421TIP3 H248964 -2.670 1.452 1.563 + 1421TIP3 OH248965 -3.885 2.195 1.797 + 1421TIP3 H148966 -3.919 2.265 1.739 + 1421TIP3 H248967 -3.946 2.122 1.780 + 1422TIP3 OH248968 -2.567 2.777 1.417 + 1422TIP3 H148969 -2.550 2.871 1.438 + 1422TIP3 H248970 -2.479 2.736 1.431 + 1422TIP3 OH248971 -4.264 2.467 2.653 + 1422TIP3 H148972 -4.298 2.444 2.565 + 1422TIP3 H248973 -4.294 2.391 2.705 + 1422TIP3 OH248974 -4.277 2.763 2.339 + 1422TIP3 H148975 -4.198 2.713 2.363 + 1422TIP3 H248976 -4.306 2.797 2.424 + 1422TIP3 OH248977 -2.443 2.815 2.935 + 1422TIP3 H148978 -2.453 2.719 2.922 + 1422TIP3 H248979 -2.533 2.838 2.967 + 1422TIP3 OH248980 -3.378 2.742 2.815 + 1422TIP3 H148981 -3.371 2.821 2.873 + 1422TIP3 H248982 -3.467 2.709 2.840 + 1422TIP3 OH248983 -3.974 3.031 1.978 + 1422TIP3 H148984 -3.955 2.989 2.065 + 1422TIP3 H248985 -4.053 2.980 1.953 + 1422TIP3 OH248986 -3.018 3.064 1.532 + 1422TIP3 H148987 -2.960 3.001 1.485 + 1422TIP3 H248988 -3.013 3.029 1.623 + 1422TIP3 OH248989 -3.097 3.058 1.820 + 1422TIP3 H148990 -3.183 3.016 1.809 + 1422TIP3 H248991 -3.046 2.984 1.857 + 1422TIP3 OH248992 -2.763 1.954 2.979 + 1422TIP3 H148993 -2.815 1.987 2.905 + 1422TIP3 H248994 -2.759 1.858 2.960 + 1422TIP3 OH248995 -4.069 2.614 2.789 + 1422TIP3 H148996 -4.045 2.562 2.868 + 1422TIP3 H248997 -4.150 2.569 2.757 + 1423TIP3 OH248998 -3.753 1.457 2.376 + 1423TIP3 H148999 -3.832 1.453 2.320 + 1423TIP3 H249000 -3.756 1.549 2.406 + 1423TIP3 OH249001 -3.311 1.420 2.730 + 1423TIP3 H149002 -3.260 1.368 2.794 + 1423TIP3 H249003 -3.403 1.394 2.748 + 1423TIP3 OH249004 -3.000 1.799 2.780 + 1423TIP3 H149005 -3.053 1.784 2.861 + 1423TIP3 H249006 -3.000 1.895 2.771 + 1423TIP3 OH249007 -2.894 2.298 1.411 + 1423TIP3 H149008 -2.915 2.278 1.317 + 1423TIP3 H249009 -2.799 2.318 1.403 + 1423TIP3 OH249010 -3.330 1.672 1.460 + 1423TIP3 H149011 -3.379 1.658 1.542 + 1423TIP3 H249012 -3.371 1.605 1.403 + 1423TIP3 OH249013 -3.783 1.927 2.509 + 1423TIP3 H149014 -3.873 1.949 2.538 + 1423TIP3 H249015 -3.771 1.995 2.439 + 1423TIP3 OH249016 -3.208 2.007 1.877 + 1423TIP3 H149017 -3.249 2.088 1.840 + 1423TIP3 H249018 -3.139 1.989 1.810 + 1423TIP3 OH249019 -3.290 2.025 3.009 + 1423TIP3 H149020 -3.339 1.948 3.044 + 1423TIP3 H249021 -3.202 2.014 3.050 + 1423TIP3 OH249022 -3.128 1.947 2.155 + 1423TIP3 H149023 -3.156 2.002 2.079 + 1423TIP3 H249024 -3.104 1.865 2.107 + 1423TIP3 OH249025 -4.003 1.941 2.699 + 1423TIP3 H149026 -4.020 2.003 2.772 + 1423TIP3 H249027 -4.070 1.872 2.714 + 1424TIP3 OH249028 -3.686 1.714 1.352 + 1424TIP3 H149029 -3.724 1.681 1.435 + 1424TIP3 H249030 -3.764 1.732 1.298 + 1424TIP3 OH249031 -4.333 1.699 2.070 + 1424TIP3 H149032 -4.278 1.705 2.150 + 1424TIP3 H249033 -4.273 1.660 2.006 + 1424TIP3 OH249034 -4.211 1.749 1.630 + 1424TIP3 H149035 -4.147 1.785 1.567 + 1424TIP3 H249036 -4.277 1.819 1.634 + 1424TIP3 OH249037 -3.217 2.113 2.596 + 1424TIP3 H149038 -3.168 2.041 2.548 + 1424TIP3 H249039 -3.242 2.067 2.677 + 1424TIP3 OH249040 -3.500 1.710 2.101 + 1424TIP3 H149041 -3.596 1.706 2.121 + 1424TIP3 H249042 -3.461 1.687 2.187 + 1424TIP3 OH249043 -3.683 1.856 1.744 + 1424TIP3 H149044 -3.591 1.879 1.762 + 1424TIP3 H249045 -3.716 1.930 1.689 + 1424TIP3 OH249046 -3.052 1.624 2.402 + 1424TIP3 H149047 -3.117 1.622 2.475 + 1424TIP3 H249048 -3.108 1.588 2.330 + 1424TIP3 OH249049 -3.822 1.987 1.515 + 1424TIP3 H149050 -3.880 1.957 1.444 + 1424TIP3 H249051 -3.739 2.004 1.467 + 1424TIP3 OH249052 -2.751 3.199 3.066 + 1424TIP3 H149053 -2.727 3.247 2.985 + 1424TIP3 H249054 -2.684 3.231 3.128 + 1424TIP3 OH249055 -3.955 2.461 3.011 + 1424TIP3 H149056 -3.893 2.466 3.087 + 1424TIP3 H249057 -4.040 2.471 3.059 + 1425TIP3 OH249058 -3.398 1.954 2.300 + 1425TIP3 H149059 -3.328 1.921 2.242 + 1425TIP3 H249060 -3.398 1.888 2.371 + 1425TIP3 OH249061 -3.871 1.602 1.927 + 1425TIP3 H149062 -3.921 1.522 1.908 + 1425TIP3 H249063 -3.800 1.599 1.861 + 1425TIP3 OH249064 -3.534 1.778 2.544 + 1425TIP3 H149065 -3.589 1.848 2.506 + 1425TIP3 H249066 -3.467 1.826 2.596 + 1425TIP3 OH249067 -3.483 2.453 1.697 + 1425TIP3 H149068 -3.556 2.398 1.661 + 1425TIP3 H249069 -3.498 2.448 1.793 + 1425TIP3 OH249070 -2.754 2.364 2.570 + 1425TIP3 H149071 -2.705 2.416 2.502 + 1425TIP3 H249072 -2.841 2.353 2.529 + 1425TIP3 OH249073 -3.062 1.729 1.475 + 1425TIP3 H149074 -3.160 1.728 1.470 + 1425TIP3 H249075 -3.043 1.803 1.536 + 1425TIP3 OH249076 -3.316 2.456 2.808 + 1425TIP3 H149077 -3.337 2.408 2.889 + 1425TIP3 H249078 -3.348 2.545 2.829 + 1425TIP3 OH249079 -2.994 1.914 1.680 + 1425TIP3 H149080 -2.906 1.896 1.718 + 1425TIP3 H249081 -2.981 2.000 1.636 + 1425TIP3 OH249082 -3.961 2.381 2.275 + 1425TIP3 H149083 -3.909 2.368 2.194 + 1425TIP3 H249084 -3.970 2.290 2.307 + 1425TIP3 OH249085 -3.239 2.584 1.588 + 1425TIP3 H149086 -3.263 2.667 1.633 + 1425TIP3 H249087 -3.311 2.525 1.615 + 1426TIP3 OH249088 -4.245 2.228 2.827 + 1426TIP3 H149089 -4.237 2.168 2.902 + 1426TIP3 H249090 -4.290 2.172 2.760 + 1426TIP3 OH249091 -3.544 2.161 2.999 + 1426TIP3 H149092 -3.568 2.142 2.907 + 1426TIP3 H249093 -3.450 2.134 2.998 + 1426TIP3 OH249094 -3.107 2.705 2.761 + 1426TIP3 H149095 -3.197 2.725 2.792 + 1426TIP3 H249096 -3.058 2.723 2.844 + 1426TIP3 OH249097 -2.536 1.912 1.654 + 1426TIP3 H149098 -2.590 1.891 1.576 + 1426TIP3 H249099 -2.524 2.008 1.639 + 1426TIP3 OH249100 -2.491 2.517 2.932 + 1426TIP3 H149101 -2.585 2.539 2.916 + 1426TIP3 H249102 -2.459 2.499 2.842 + 1426TIP3 OH249103 -2.718 2.772 1.663 + 1426TIP3 H149104 -2.733 2.691 1.713 + 1426TIP3 H249105 -2.661 2.741 1.590 + 1426TIP3 OH249106 -2.996 2.320 2.395 + 1426TIP3 H149107 -3.088 2.290 2.384 + 1426TIP3 H249108 -2.948 2.245 2.355 + 1426TIP3 OH249109 -3.726 2.715 2.003 + 1426TIP3 H149110 -3.688 2.803 1.992 + 1426TIP3 H249111 -3.819 2.730 1.985 + 1426TIP3 OH249112 -4.151 2.211 1.477 + 1426TIP3 H149113 -4.081 2.267 1.514 + 1426TIP3 H249114 -4.228 2.268 1.490 + 1426TIP3 OH249115 -3.540 2.487 1.979 + 1426TIP3 H149116 -3.581 2.575 1.982 + 1426TIP3 H249117 -3.614 2.430 2.007 + 1427TIP3 OH249118 -3.520 2.906 2.597 + 1427TIP3 H149119 -3.473 2.988 2.577 + 1427TIP3 H249120 -3.468 2.870 2.671 + 1427TIP3 OH249121 -3.678 3.009 1.922 + 1427TIP3 H149122 -3.774 3.014 1.935 + 1427TIP3 H249123 -3.649 3.098 1.951 + 1427TIP3 OH249124 -2.968 2.619 1.453 + 1427TIP3 H149125 -2.926 2.571 1.526 + 1427TIP3 H249126 -3.061 2.600 1.474 + 1427TIP3 OH249127 -2.892 2.938 2.792 + 1427TIP3 H149128 -2.972 2.903 2.749 + 1427TIP3 H249129 -2.878 3.023 2.745 + 1427TIP3 OH249130 -2.505 3.049 1.514 + 1427TIP3 H149131 -2.432 3.106 1.485 + 1427TIP3 H249132 -2.579 3.111 1.499 + 1427TIP3 OH249133 -4.105 1.676 2.764 + 1427TIP3 H149134 -4.188 1.723 2.781 + 1427TIP3 H249135 -4.118 1.592 2.812 + 1427TIP3 OH249136 -2.872 2.481 1.696 + 1427TIP3 H149137 -2.898 2.403 1.748 + 1427TIP3 H249138 -2.775 2.473 1.696 + 1427TIP3 OH249139 -4.123 2.857 2.610 + 1427TIP3 H149140 -4.111 2.762 2.623 + 1427TIP3 H249141 -4.099 2.891 2.697 + 1427TIP3 OH249142 -3.543 2.722 1.311 + 1427TIP3 H149143 -3.515 2.644 1.258 + 1427TIP3 H249144 -3.589 2.678 1.384 + 1427TIP3 OH249145 -3.661 2.673 1.578 + 1427TIP3 H149146 -3.614 2.616 1.641 + 1427TIP3 H249147 -3.648 2.763 1.615 + 1428TIP3 OH249148 -3.986 2.412 1.614 + 1428TIP3 H149149 -4.057 2.453 1.670 + 1428TIP3 H249150 -3.937 2.493 1.590 + 1428TIP3 OH249151 -3.214 1.665 2.621 + 1428TIP3 H149152 -3.148 1.690 2.688 + 1428TIP3 H249153 -3.258 1.588 2.662 + 1428TIP3 OH249154 -3.147 1.607 1.747 + 1428TIP3 H149155 -3.128 1.659 1.668 + 1428TIP3 H249156 -3.101 1.658 1.816 + 1428TIP3 OH249157 -3.358 2.864 1.654 + 1428TIP3 H149158 -3.453 2.885 1.654 + 1428TIP3 H249159 -3.335 2.876 1.560 + 1428TIP3 OH249160 -3.406 1.803 1.840 + 1428TIP3 H149161 -3.332 1.864 1.855 + 1428TIP3 H249162 -3.441 1.791 1.931 + 1428TIP3 OH249163 -3.370 1.900 2.757 + 1428TIP3 H149164 -3.358 1.949 2.841 + 1428TIP3 H249165 -3.313 1.823 2.773 + 1428TIP3 OH249166 -3.346 1.508 1.938 + 1428TIP3 H149167 -3.368 1.580 2.001 + 1428TIP3 H249168 -3.275 1.550 1.885 + 1428TIP3 OH249169 -3.639 2.942 1.643 + 1428TIP3 H149170 -3.657 3.019 1.586 + 1428TIP3 H249171 -3.662 2.976 1.732 + 1428TIP3 OH249172 -3.776 1.618 1.602 + 1428TIP3 H149173 -3.768 1.701 1.654 + 1428TIP3 H249174 -3.692 1.574 1.626 + 1428TIP3 OH249175 -2.742 1.700 2.846 + 1428TIP3 H149176 -2.838 1.710 2.831 + 1428TIP3 H249177 -2.714 1.677 2.756 + 1429TIP3 OH249178 -2.892 2.086 2.252 + 1429TIP3 H149179 -2.973 2.039 2.223 + 1429TIP3 H249180 -2.842 2.015 2.297 + 1429TIP3 OH249181 -3.930 2.700 1.496 + 1429TIP3 H149182 -3.851 2.740 1.536 + 1429TIP3 H249183 -3.888 2.643 1.431 + 1429TIP3 OH249184 -4.108 1.915 1.409 + 1429TIP3 H149185 -4.110 2.009 1.434 + 1429TIP3 H249186 -4.194 1.899 1.369 + 1429TIP3 OH249187 -2.791 2.967 2.386 + 1429TIP3 H149188 -2.802 3.050 2.336 + 1429TIP3 H249189 -2.698 2.977 2.413 + 1429TIP3 OH249190 -4.031 1.414 2.285 + 1429TIP3 H149191 -4.059 1.409 2.191 + 1429TIP3 H249192 -4.073 1.334 2.322 + 1429TIP3 OH249193 -4.133 2.781 1.913 + 1429TIP3 H149194 -4.226 2.807 1.921 + 1429TIP3 H249195 -4.109 2.817 1.827 + 1429TIP3 OH249196 -4.213 3.056 3.031 + 1429TIP3 H149197 -4.152 3.050 3.106 + 1429TIP3 H249198 -4.228 2.961 3.017 + 1429TIP3 OH249199 -3.725 2.967 3.204 + 1429TIP3 H149200 -3.658 2.901 3.229 + 1429TIP3 H249201 -3.750 2.937 3.116 + 1429TIP3 OH249202 -3.323 2.887 1.372 + 1429TIP3 H149203 -3.398 2.828 1.348 + 1429TIP3 H249204 -3.251 2.841 1.325 + 1429TIP3 OH249205 -3.075 2.787 3.060 + 1429TIP3 H149206 -3.117 2.711 3.104 + 1429TIP3 H249207 -3.010 2.815 3.127 + 1430TIP3 OH249208 -2.860 2.886 1.373 + 1430TIP3 H149209 -2.847 2.802 1.420 + 1430TIP3 H249210 -2.783 2.889 1.314 + 1430TIP3 OH249211 -4.204 2.452 3.095 + 1430TIP3 H149212 -4.194 2.368 3.049 + 1430TIP3 H249213 -4.288 2.486 3.059 + 1430TIP3 OH249214 -3.780 2.465 1.344 + 1430TIP3 H149215 -3.763 2.404 1.417 + 1430TIP3 H249216 -3.696 2.459 1.295 + 1430TIP3 OH249217 -3.534 2.442 3.070 + 1430TIP3 H149218 -3.569 2.474 2.985 + 1430TIP3 H249219 -3.529 2.346 3.057 + 1430TIP3 OH249220 -3.256 2.596 1.303 + 1430TIP3 H149221 -3.260 2.591 1.400 + 1430TIP3 H249222 -3.260 2.501 1.281 + 1430TIP3 OH249223 -3.007 2.401 2.790 + 1430TIP3 H149224 -2.928 2.457 2.787 + 1430TIP3 H249225 -3.079 2.463 2.807 + 1430TIP3 OH249226 -4.135 2.126 3.067 + 1430TIP3 H149227 -4.058 2.066 3.062 + 1430TIP3 H249228 -4.126 2.160 3.158 + 1430TIP3 OH249229 -3.672 2.272 1.577 + 1430TIP3 H149230 -3.732 2.222 1.635 + 1430TIP3 H249231 -3.644 2.203 1.514 + 1430TIP3 OH249232 -3.734 2.021 2.786 + 1430TIP3 H149233 -3.792 2.090 2.825 + 1430TIP3 H249234 -3.676 2.075 2.729 + 1430TIP3 OH249235 -3.576 2.076 1.401 + 1430TIP3 H149236 -3.579 2.082 1.304 + 1430TIP3 H249237 -3.480 2.069 1.416 + 1431TIP3 OH249238 -3.220 2.317 3.151 + 1431TIP3 H149239 -3.127 2.300 3.130 + 1431TIP3 H249240 -3.242 2.237 3.201 + 1431TIP3 OH249241 -2.628 2.324 1.334 + 1431TIP3 H149242 -2.633 2.281 1.248 + 1431TIP3 H249243 -2.631 2.418 1.308 + 1431TIP3 OH249244 -3.506 2.172 2.704 + 1431TIP3 H149245 -3.423 2.156 2.656 + 1431TIP3 H249246 -3.535 2.257 2.667 + 1431TIP3 OH249247 -3.043 1.962 3.176 + 1431TIP3 H149248 -3.022 1.869 3.195 + 1431TIP3 H249249 -2.954 2.000 3.178 + 1431TIP3 OH249250 -2.950 2.245 3.019 + 1431TIP3 H149251 -2.980 2.306 2.949 + 1431TIP3 H249252 -2.858 2.228 2.989 + 1431TIP3 OH249253 -3.863 1.951 3.058 + 1431TIP3 H149254 -3.916 1.873 3.081 + 1431TIP3 H249255 -3.772 1.919 3.059 + 1431TIP3 OH249256 -3.604 1.403 2.697 + 1431TIP3 H149257 -3.609 1.489 2.653 + 1431TIP3 H249258 -3.663 1.349 2.641 + 1431TIP3 OH249259 -3.474 1.815 3.064 + 1431TIP3 H149260 -3.489 1.789 3.157 + 1431TIP3 H249261 -3.555 1.783 3.024 + 1431TIP3 OH249262 -3.209 1.720 2.964 + 1431TIP3 H149263 -3.297 1.718 3.005 + 1431TIP3 H249264 -3.158 1.658 3.021 + 1431TIP3 OH249265 -3.031 1.568 3.128 + 1431TIP3 H149266 -3.035 1.472 3.147 + 1431TIP3 H249267 -3.037 1.609 3.216 + 1432TIP3 OH249268 -4.008 1.703 3.072 + 1432TIP3 H149269 -4.025 1.625 3.016 + 1432TIP3 H249270 -4.027 1.666 3.160 + 1432TIP3 OH249271 -3.600 1.309 2.974 + 1432TIP3 H149272 -3.543 1.230 2.978 + 1432TIP3 H249273 -3.603 1.326 2.878 + 1432TIP3 OH249274 -3.503 1.497 3.154 + 1432TIP3 H149275 -3.535 1.432 3.088 + 1432TIP3 H249276 -3.580 1.551 3.171 + 1432TIP3 OH249277 -3.601 3.211 1.516 + 1432TIP3 H149278 -3.505 3.208 1.517 + 1432TIP3 H249279 -3.618 3.241 1.426 + 1432TIP3 OH249280 -4.198 2.688 1.418 + 1432TIP3 H149281 -4.123 2.680 1.480 + 1432TIP3 H249282 -4.220 2.595 1.399 + 1432TIP3 OH249283 -4.273 2.966 2.133 + 1432TIP3 H149284 -4.277 2.877 2.173 + 1432TIP3 H249285 -4.244 3.016 2.211 + 1432TIP3 OH249286 -2.517 3.085 2.438 + 1432TIP3 H149287 -2.499 3.083 2.533 + 1432TIP3 H249288 -2.431 3.113 2.403 + 1432TIP3 OH249289 -2.528 3.029 2.724 + 1432TIP3 H149290 -2.574 2.952 2.688 + 1432TIP3 H249291 -2.470 2.986 2.789 + 1432TIP3 OH249292 -2.727 2.573 3.149 + 1432TIP3 H149293 -2.813 2.575 3.195 + 1432TIP3 H249294 -2.681 2.650 3.186 + 1432TIP3 OH249295 -2.589 2.465 1.730 + 1432TIP3 H149296 -2.497 2.497 1.742 + 1432TIP3 H249297 -2.593 2.398 1.801 + 1433TIP3 OH249298 -2.543 2.263 1.927 + 1433TIP3 H149299 -2.606 2.201 1.969 + 1433TIP3 H249300 -2.471 2.269 1.992 + 1433TIP3 OH249301 -2.578 2.517 2.414 + 1433TIP3 H149302 -2.514 2.460 2.368 + 1433TIP3 H249303 -2.542 2.605 2.393 + 1433TIP3 OH249304 -2.693 2.801 2.645 + 1433TIP3 H149305 -2.763 2.841 2.700 + 1433TIP3 H249306 -2.744 2.760 2.573 + 1433TIP3 OH249307 -2.519 2.200 1.585 + 1433TIP3 H149308 -2.566 2.230 1.505 + 1433TIP3 H249309 -2.525 2.279 1.641 + 1433TIP3 OH249310 -2.691 1.961 1.409 + 1433TIP3 H149311 -2.659 2.017 1.337 + 1433TIP3 H249312 -2.712 1.877 1.363 + 1433TIP3 OH249313 -2.750 2.072 2.007 + 1433TIP3 H149314 -2.753 1.976 1.991 + 1433TIP3 H249315 -2.786 2.079 2.097 + 1433TIP3 OH249316 -4.259 2.322 2.402 + 1433TIP3 H149317 -4.228 2.336 2.311 + 1433TIP3 H249318 -4.177 2.287 2.444 + 1433TIP3 OH249319 -2.687 2.267 2.917 + 1433TIP3 H149320 -2.619 2.199 2.938 + 1433TIP3 H249321 -2.633 2.347 2.910 + 1433TIP3 OH249322 -2.529 2.078 3.036 + 1433TIP3 H149323 -2.610 2.023 3.027 + 1433TIP3 H249324 -2.460 2.009 3.039 + 1433TIP3 OH249325 -2.742 1.695 1.333 + 1433TIP3 H149326 -2.681 1.643 1.388 + 1433TIP3 H249327 -2.820 1.638 1.325 + 1434TIP3 OH249328 -2.760 1.821 1.826 + 1434TIP3 H149329 -2.735 1.726 1.830 + 1434TIP3 H249330 -2.680 1.857 1.784 + 1434TIP3 OH249331 -2.737 1.886 2.367 + 1434TIP3 H149332 -2.639 1.893 2.364 + 1434TIP3 H249333 -2.750 1.885 2.464 + 1434TIP3 OH249334 -2.721 1.951 2.648 + 1434TIP3 H149335 -2.806 1.991 2.677 + 1434TIP3 H249336 -2.667 2.030 2.629 + 1434TIP3 OH249337 -4.284 1.804 2.986 + 1434TIP3 H149338 -4.199 1.777 3.024 + 1434TIP3 H249339 -4.348 1.745 3.028 + 1434TIP3 OH249340 -2.460 1.364 3.178 + 1434TIP3 H149341 -2.424 1.297 3.117 + 1434TIP3 H249342 -2.462 1.444 3.122 + 1434TIP3 OH249343 -2.713 1.543 1.822 + 1434TIP3 H149344 -2.699 1.508 1.912 + 1434TIP3 H249345 -2.792 1.492 1.794 + 1434TIP3 OH249346 -4.164 1.679 2.333 + 1434TIP3 H149347 -4.120 1.594 2.318 + 1434TIP3 H249348 -4.095 1.745 2.314 + 1434TIP3 OH249349 -4.308 1.951 2.384 + 1434TIP3 H149350 -4.253 1.904 2.320 + 1434TIP3 H249351 -4.270 2.039 2.379 + 1434TIP3 OH249352 -2.526 1.570 3.004 + 1434TIP3 H149353 -2.613 1.613 3.016 + 1434TIP3 H249354 -2.543 1.518 2.924 + 1434TIP3 OH249355 -2.516 1.589 1.488 + 1434TIP3 H149356 -2.485 1.509 1.443 + 1434TIP3 H249357 -2.434 1.641 1.497 + 1435TIP3 OH249358 -4.318 1.544 1.769 + 1435TIP3 H149359 -4.400 1.580 1.731 + 1435TIP3 H249360 -4.255 1.609 1.729 + 1435TIP3 OH249361 -2.825 3.097 2.013 + 1435TIP3 H149362 -2.771 3.066 1.938 + 1435TIP3 H249363 -2.757 3.132 2.072 + 1435TIP3 OH249364 -4.290 1.439 2.597 + 1435TIP3 H149365 -4.358 1.430 2.668 + 1435TIP3 H249366 -4.334 1.487 2.526 + 1435TIP3 OH249367 -4.115 2.791 3.067 + 1435TIP3 H149368 -4.176 2.735 3.018 + 1435TIP3 H249369 -4.132 2.760 3.159 + 1435TIP3 OH249370 -3.800 2.859 2.658 + 1435TIP3 H149371 -3.837 2.941 2.622 + 1435TIP3 H249372 -3.706 2.871 2.638 + 1435TIP3 OH249373 -3.348 2.984 2.957 + 1435TIP3 H149374 -3.340 2.973 3.053 + 1435TIP3 H249375 -3.266 3.033 2.936 + 1435TIP3 OH249376 -3.120 3.126 2.876 + 1435TIP3 H149377 -3.047 3.063 2.867 + 1435TIP3 H249378 -3.095 3.171 2.959 + 1435TIP3 OH249379 -2.639 1.396 2.800 + 1435TIP3 H149380 -2.720 1.415 2.751 + 1435TIP3 H249381 -2.618 1.305 2.768 + 1435TIP3 OH249382 -4.069 3.164 2.683 + 1435TIP3 H149383 -4.137 3.215 2.635 + 1435TIP3 H249384 -4.099 3.174 2.774 + 1435TIP3 OH249385 -3.817 3.132 2.546 + 1435TIP3 H149386 -3.904 3.148 2.588 + 1435TIP3 H249387 -3.816 3.200 2.477 + 1436TIP3 OH249388 -3.335 3.131 2.501 + 1436TIP3 H149389 -3.380 3.177 2.428 + 1436TIP3 H249390 -3.328 3.203 2.567 + 1436TIP3 OH249391 -3.107 2.972 2.568 + 1436TIP3 H149392 -3.191 3.021 2.557 + 1436TIP3 H249393 -3.045 3.046 2.578 + 1436TIP3 OH249394 -2.864 3.169 2.609 + 1436TIP3 H149395 -2.868 3.266 2.596 + 1436TIP3 H249396 -2.825 3.142 2.525 + 1436TIP3 OH249397 -4.124 3.043 2.382 + 1436TIP3 H149398 -4.135 2.995 2.467 + 1436TIP3 H249399 -4.052 2.992 2.342 + 1436TIP3 OH249400 -3.909 2.912 2.228 + 1436TIP3 H149401 -3.929 2.821 2.258 + 1436TIP3 H249402 -3.822 2.928 2.268 + 1436TIP3 OH249403 -3.625 2.956 2.315 + 1436TIP3 H149404 -3.615 2.862 2.295 + 1436TIP3 H249405 -3.625 2.954 2.412 + 1436TIP3 OH249406 -3.298 1.546 2.249 + 1436TIP3 H149407 -3.367 1.477 2.262 + 1436TIP3 H249408 -3.239 1.502 2.187 + 1436TIP3 OH249409 -2.802 1.348 2.296 + 1436TIP3 H149410 -2.725 1.390 2.253 + 1436TIP3 H249411 -2.876 1.375 2.238 + 1436TIP3 OH249412 -2.595 1.457 2.080 + 1436TIP3 H149413 -2.523 1.413 2.031 + 1436TIP3 H249414 -2.560 1.548 2.089 + 1436TIP3 OH249415 -4.111 1.399 2.007 + 1436TIP3 H149416 -4.176 1.376 1.939 + 1436TIP3 H249417 -4.043 1.331 1.991 + 1437TIP3 OH249418 -4.180 1.363 1.584 + 1437TIP3 H149419 -4.130 1.430 1.533 + 1437TIP3 H249420 -4.235 1.421 1.641 + 1437TIP3 OH249421 -3.612 1.390 1.992 + 1437TIP3 H149422 -3.524 1.429 1.977 + 1437TIP3 H249423 -3.616 1.390 2.088 + 1437TIP3 OH249424 -3.055 1.403 2.133 + 1437TIP3 H149425 -3.029 1.387 2.041 + 1437TIP3 H249426 -3.093 1.317 2.158 + 1437TIP3 OH249427 -2.945 1.403 1.733 + 1437TIP3 H149428 -3.027 1.452 1.717 + 1437TIP3 H249429 -2.979 1.312 1.745 + 1437TIP3 OH249430 -4.185 2.966 1.685 + 1437TIP3 H149431 -4.251 2.945 1.618 + 1437TIP3 H249432 -4.185 3.062 1.684 + 1437TIP3 OH249433 -4.003 1.549 1.439 + 1437TIP3 H149434 -3.943 1.495 1.386 + 1437TIP3 H249435 -3.943 1.582 1.508 + 1437TIP3 OH249436 -3.499 1.567 1.696 + 1437TIP3 H149437 -3.467 1.507 1.765 + 1437TIP3 H249438 -3.475 1.653 1.736 + 1437TIP3 OH249439 -3.273 3.170 1.540 + 1437TIP3 H149440 -3.183 3.134 1.523 + 1437TIP3 H249441 -3.324 3.101 1.496 + 1437TIP3 OH249442 -2.655 3.044 1.781 + 1437TIP3 H149443 -2.668 2.958 1.737 + 1437TIP3 H249444 -2.628 3.099 1.705 + 1437TIP3 OH249445 -4.077 1.446 2.960 + 1437TIP3 H149446 -4.127 1.369 2.992 + 1437TIP3 H249447 -3.987 1.421 2.989 + 1438TIP3 OH249448 -3.843 1.378 3.127 + 1438TIP3 H149449 -3.762 1.339 3.088 + 1438TIP3 H249450 -3.877 1.301 3.176 + 1438TIP3 OH249451 -4.010 3.067 1.385 + 1438TIP3 H149452 -4.043 3.082 1.475 + 1438TIP3 H249453 -3.944 2.996 1.400 + 1438TIP3 OH249454 -3.030 1.288 3.147 + 1438TIP3 H149455 -3.027 1.246 3.235 + 1438TIP3 H249456 -2.936 1.284 3.121 + 1438TIP3 OH249457 -2.692 2.924 3.013 + 1438TIP3 H149458 -2.770 2.904 2.958 + 1438TIP3 H249459 -2.711 3.017 3.037 + 1438TIP3 OH249460 -1.378 2.230 2.328 + 1438TIP3 H149461 -1.389 2.180 2.410 + 1438TIP3 H249462 -1.420 2.170 2.264 + 1438TIP3 OH249463 -2.145 2.194 2.505 + 1438TIP3 H149464 -2.144 2.118 2.567 + 1438TIP3 H249465 -2.071 2.246 2.539 + 1438TIP3 OH249466 -1.005 2.510 2.171 + 1438TIP3 H149467 -1.058 2.442 2.214 + 1438TIP3 H249468 -0.995 2.575 2.242 + 1438TIP3 OH249469 -2.078 2.656 2.355 + 1438TIP3 H149470 -2.099 2.564 2.328 + 1438TIP3 H249471 -1.984 2.646 2.374 + 1438TIP3 OH249472 -2.378 1.996 1.893 + 1438TIP3 H149473 -2.417 2.084 1.899 + 1438TIP3 H249474 -2.448 1.946 1.849 + 1438TIP3 OH249475 -2.298 2.242 2.077 + 1438TIP3 H149476 -2.281 2.159 2.126 + 1438TIP3 H249477 -2.213 2.255 2.033 + 1439TIP3 OH249478 -1.308 3.048 2.230 + 1439TIP3 H149479 -1.259 2.974 2.190 + 1439TIP3 H249480 -1.344 3.006 2.309 + 1439TIP3 OH249481 -1.542 2.483 2.398 + 1439TIP3 H149482 -1.510 2.422 2.329 + 1439TIP3 H249483 -1.459 2.499 2.445 + 1439TIP3 OH249484 -0.665 1.648 2.477 + 1439TIP3 H149485 -0.663 1.736 2.517 + 1439TIP3 H249486 -0.609 1.665 2.399 + 1439TIP3 OH249487 -1.212 1.918 2.443 + 1439TIP3 H149488 -1.199 1.821 2.443 + 1439TIP3 H249489 -1.217 1.936 2.348 + 1439TIP3 OH249490 -1.914 1.719 2.152 + 1439TIP3 H149491 -1.899 1.804 2.107 + 1439TIP3 H249492 -1.949 1.666 2.078 + 1439TIP3 OH249493 -1.130 1.737 1.985 + 1439TIP3 H149494 -1.068 1.695 2.048 + 1439TIP3 H249495 -1.068 1.780 1.924 + 1439TIP3 OH249496 -2.246 1.992 2.203 + 1439TIP3 H149497 -2.181 1.946 2.259 + 1439TIP3 H249498 -2.236 1.944 2.119 + 1439TIP3 OH249499 -1.710 2.131 2.153 + 1439TIP3 H149500 -1.637 2.076 2.188 + 1439TIP3 H249501 -1.758 2.066 2.098 + 1439TIP3 OH249502 -2.033 1.599 2.569 + 1439TIP3 H149503 -2.074 1.648 2.496 + 1439TIP3 H249504 -2.100 1.613 2.639 + 1439TIP3 OH249505 -1.739 2.387 2.583 + 1439TIP3 H149506 -1.813 2.448 2.605 + 1439TIP3 H249507 -1.677 2.446 2.535 + 1440TIP3 OH249508 -0.946 1.660 2.190 + 1440TIP3 H149509 -0.986 1.602 2.256 + 1440TIP3 H249510 -0.895 1.722 2.244 + 1440TIP3 OH249511 -2.074 1.804 2.362 + 1440TIP3 H149512 -2.009 1.861 2.408 + 1440TIP3 H249513 -2.017 1.767 2.290 + 1440TIP3 OH249514 -1.942 2.574 2.653 + 1440TIP3 H149515 -1.945 2.666 2.621 + 1440TIP3 H249516 -2.028 2.569 2.698 + 1440TIP3 OH249517 -2.314 2.545 1.742 + 1440TIP3 H149518 -2.326 2.595 1.658 + 1440TIP3 H249519 -2.293 2.615 1.807 + 1440TIP3 OH249520 -0.965 2.692 2.426 + 1440TIP3 H149521 -1.062 2.701 2.422 + 1440TIP3 H249522 -0.937 2.774 2.382 + 1440TIP3 OH249523 -0.932 1.568 2.578 + 1440TIP3 H149524 -1.008 1.612 2.535 + 1440TIP3 H249525 -0.859 1.595 2.519 + 1440TIP3 OH249526 -1.616 1.347 2.282 + 1440TIP3 H149527 -1.644 1.254 2.273 + 1440TIP3 H249528 -1.700 1.389 2.311 + 1440TIP3 OH249529 -1.131 2.876 2.084 + 1440TIP3 H149530 -1.089 2.798 2.044 + 1440TIP3 H249531 -1.072 2.948 2.054 + 1440TIP3 OH249532 -0.991 2.659 1.922 + 1440TIP3 H149533 -1.054 2.609 1.865 + 1440TIP3 H249534 -0.988 2.599 1.998 + 1440TIP3 OH249535 -0.835 2.550 2.786 + 1440TIP3 H149536 -0.847 2.487 2.712 + 1440TIP3 H249537 -0.824 2.634 2.738 + 1441TIP3 OH249538 -1.399 2.022 1.487 + 1441TIP3 H149539 -1.333 2.083 1.523 + 1441TIP3 H249540 -1.369 2.006 1.398 + 1441TIP3 OH249541 -0.659 2.169 2.580 + 1441TIP3 H149542 -0.733 2.231 2.586 + 1441TIP3 H249543 -0.611 2.205 2.503 + 1441TIP3 OH249544 -1.065 2.083 2.745 + 1441TIP3 H149545 -1.066 2.162 2.801 + 1441TIP3 H249546 -1.127 2.112 2.676 + 1441TIP3 OH249547 -1.907 2.315 2.043 + 1441TIP3 H149548 -1.929 2.274 1.957 + 1441TIP3 H249549 -1.834 2.260 2.074 + 1441TIP3 OH249550 -1.766 2.657 2.316 + 1441TIP3 H149551 -1.772 2.625 2.225 + 1441TIP3 H249552 -1.684 2.613 2.347 + 1441TIP3 OH249553 -1.842 2.200 2.393 + 1441TIP3 H149554 -1.787 2.201 2.312 + 1441TIP3 H249555 -1.799 2.268 2.448 + 1441TIP3 OH249556 -1.249 2.754 2.450 + 1441TIP3 H149557 -1.243 2.818 2.523 + 1441TIP3 H249558 -1.269 2.670 2.494 + 1441TIP3 OH249559 -1.756 2.632 2.874 + 1441TIP3 H149560 -1.808 2.699 2.922 + 1441TIP3 H249561 -1.819 2.605 2.804 + 1441TIP3 OH249562 -1.154 2.163 1.622 + 1441TIP3 H149563 -1.144 2.226 1.696 + 1441TIP3 H249564 -1.122 2.223 1.550 + 1441TIP3 OH249565 -2.063 2.274 2.785 + 1441TIP3 H149566 -2.058 2.329 2.865 + 1441TIP3 H249567 -2.159 2.257 2.779 + 1442TIP3 OH249568 -1.443 2.846 1.986 + 1442TIP3 H149569 -1.359 2.861 2.031 + 1442TIP3 H249570 -1.460 2.926 1.935 + 1442TIP3 OH249571 -1.946 2.852 2.956 + 1442TIP3 H149572 -1.957 2.854 2.860 + 1442TIP3 H249573 -2.034 2.824 2.988 + 1442TIP3 OH249574 -0.789 1.346 1.585 + 1442TIP3 H149575 -0.885 1.354 1.598 + 1442TIP3 H249576 -0.761 1.437 1.567 + 1442TIP3 OH249577 -2.001 2.193 1.791 + 1442TIP3 H149578 -2.019 2.269 1.733 + 1442TIP3 H249579 -2.070 2.131 1.765 + 1442TIP3 OH249580 -0.683 2.776 1.407 + 1442TIP3 H149581 -0.668 2.868 1.437 + 1442TIP3 H249582 -0.599 2.734 1.431 + 1442TIP3 OH249583 -2.407 2.459 2.668 + 1442TIP3 H149584 -2.439 2.453 2.576 + 1442TIP3 H249585 -2.385 2.366 2.687 + 1442TIP3 OH249586 -2.398 2.751 2.364 + 1442TIP3 H149587 -2.305 2.723 2.362 + 1442TIP3 H249588 -2.395 2.815 2.437 + 1442TIP3 OH249589 -0.557 2.815 2.938 + 1442TIP3 H149590 -0.567 2.720 2.918 + 1442TIP3 H249591 -0.648 2.837 2.966 + 1442TIP3 OH249592 -1.492 2.737 2.818 + 1442TIP3 H149593 -1.486 2.820 2.869 + 1442TIP3 H249594 -1.582 2.707 2.839 + 1442TIP3 OH249595 -1.466 3.117 1.814 + 1442TIP3 H149596 -1.463 3.123 1.717 + 1442TIP3 H249597 -1.457 3.209 1.842 + 1443TIP3 OH249598 -2.086 3.035 1.978 + 1443TIP3 H149599 -2.066 2.989 2.062 + 1443TIP3 H249600 -2.166 2.989 1.949 + 1443TIP3 OH249601 -1.130 3.060 1.532 + 1443TIP3 H149602 -1.080 2.991 1.486 + 1443TIP3 H249603 -1.137 3.023 1.621 + 1443TIP3 OH249604 -1.194 3.006 1.819 + 1443TIP3 H149605 -1.291 3.014 1.825 + 1443TIP3 H249606 -1.181 2.919 1.859 + 1443TIP3 OH249607 -0.869 1.935 2.964 + 1443TIP3 H149608 -0.923 2.004 2.921 + 1443TIP3 H249609 -0.924 1.858 2.942 + 1443TIP3 OH249610 -2.183 2.617 2.793 + 1443TIP3 H149611 -2.153 2.569 2.874 + 1443TIP3 H249612 -2.254 2.560 2.759 + 1443TIP3 OH249613 -1.863 1.458 2.371 + 1443TIP3 H149614 -1.943 1.456 2.316 + 1443TIP3 H249615 -1.884 1.535 2.427 + 1443TIP3 OH249616 -1.423 1.422 2.728 + 1443TIP3 H149617 -1.372 1.372 2.795 + 1443TIP3 H249618 -1.515 1.392 2.743 + 1443TIP3 OH249619 -1.060 1.788 2.820 + 1443TIP3 H149620 -1.140 1.760 2.868 + 1443TIP3 H249621 -1.093 1.864 2.768 + 1443TIP3 OH249622 -1.021 2.293 1.406 + 1443TIP3 H149623 -1.029 2.254 1.318 + 1443TIP3 H249624 -0.927 2.312 1.413 + 1443TIP3 OH249625 -1.442 1.669 1.441 + 1443TIP3 H149626 -1.491 1.669 1.524 + 1443TIP3 H249627 -1.484 1.594 1.395 + 1444TIP3 OH249628 -1.876 1.941 2.507 + 1444TIP3 H149629 -1.932 1.954 2.586 + 1444TIP3 H249630 -1.867 2.032 2.473 + 1444TIP3 OH249631 -1.882 1.949 1.997 + 1444TIP3 H149632 -1.977 1.938 1.979 + 1444TIP3 H249633 -1.845 1.931 1.908 + 1444TIP3 OH249634 -1.331 2.032 1.862 + 1444TIP3 H149635 -1.362 2.119 1.832 + 1444TIP3 H249636 -1.264 2.012 1.795 + 1444TIP3 OH249637 -1.402 2.026 3.011 + 1444TIP3 H149638 -1.453 1.951 3.046 + 1444TIP3 H249639 -1.314 2.012 3.050 + 1444TIP3 OH249640 -1.239 1.949 2.140 + 1444TIP3 H149641 -1.266 2.006 2.065 + 1444TIP3 H249642 -1.215 1.867 2.091 + 1444TIP3 OH249643 -2.145 1.959 2.694 + 1444TIP3 H149644 -2.112 1.988 2.780 + 1444TIP3 H249645 -2.176 1.869 2.714 + 1444TIP3 OH249646 -1.787 1.724 1.342 + 1444TIP3 H149647 -1.819 1.684 1.426 + 1444TIP3 H249648 -1.869 1.738 1.294 + 1444TIP3 OH249649 -2.458 1.705 2.058 + 1444TIP3 H149650 -2.396 1.702 2.132 + 1444TIP3 H249651 -2.408 1.666 1.984 + 1444TIP3 OH249652 -2.298 1.749 1.627 + 1444TIP3 H149653 -2.242 1.796 1.561 + 1444TIP3 H249654 -2.367 1.814 1.644 + 1444TIP3 OH249655 -1.325 2.114 2.600 + 1444TIP3 H149656 -1.282 2.043 2.547 + 1444TIP3 H249657 -1.357 2.064 2.676 + 1445TIP3 OH249658 -1.605 1.706 2.097 + 1445TIP3 H149659 -1.699 1.701 2.118 + 1445TIP3 H249660 -1.564 1.689 2.183 + 1445TIP3 OH249661 -2.149 1.830 1.968 + 1445TIP3 H149662 -2.230 1.856 1.920 + 1445TIP3 H249663 -2.119 1.751 1.919 + 1445TIP3 OH249664 -1.785 1.871 1.738 + 1445TIP3 H149665 -1.687 1.873 1.739 + 1445TIP3 H249666 -1.808 1.926 1.662 + 1445TIP3 OH249667 -1.163 1.619 2.404 + 1445TIP3 H149668 -1.227 1.623 2.478 + 1445TIP3 H249669 -1.221 1.587 2.332 + 1445TIP3 OH249670 -1.911 1.991 1.493 + 1445TIP3 H149671 -1.982 1.962 1.433 + 1445TIP3 H249672 -1.836 1.984 1.433 + 1445TIP3 OH249673 -0.868 3.205 3.067 + 1445TIP3 H149674 -0.838 3.243 2.982 + 1445TIP3 H249675 -0.795 3.231 3.127 + 1445TIP3 OH249676 -2.074 2.464 3.010 + 1445TIP3 H149677 -2.007 2.472 3.081 + 1445TIP3 H249678 -2.155 2.458 3.065 + 1445TIP3 OH249679 -1.504 1.961 2.282 + 1445TIP3 H149680 -1.429 1.923 2.233 + 1445TIP3 H249681 -1.514 1.898 2.356 + 1445TIP3 OH249682 -1.975 1.602 1.895 + 1445TIP3 H149683 -2.026 1.521 1.912 + 1445TIP3 H249684 -1.892 1.566 1.861 + 1445TIP3 OH249685 -1.604 1.804 2.511 + 1445TIP3 H149686 -1.680 1.865 2.504 + 1445TIP3 H249687 -1.558 1.836 2.591 + 1446TIP3 OH249688 -1.587 2.454 1.670 + 1446TIP3 H149689 -1.648 2.380 1.659 + 1446TIP3 H249690 -1.554 2.445 1.760 + 1446TIP3 OH249691 -0.870 2.364 2.572 + 1446TIP3 H149692 -0.820 2.418 2.507 + 1446TIP3 H249693 -0.955 2.351 2.525 + 1446TIP3 OH249694 -1.162 1.718 1.437 + 1446TIP3 H149695 -1.259 1.710 1.429 + 1446TIP3 H249696 -1.151 1.788 1.503 + 1446TIP3 OH249697 -1.427 2.448 2.829 + 1446TIP3 H149698 -1.459 2.417 2.915 + 1446TIP3 H249699 -1.459 2.540 2.828 + 1446TIP3 OH249700 -1.115 1.889 1.676 + 1446TIP3 H149701 -1.027 1.888 1.718 + 1446TIP3 H249702 -1.120 1.982 1.643 + 1446TIP3 OH249703 -2.079 2.386 2.277 + 1446TIP3 H149704 -2.023 2.376 2.198 + 1446TIP3 H249705 -2.066 2.300 2.321 + 1446TIP3 OH249706 -2.353 2.215 2.805 + 1446TIP3 H149707 -2.336 2.173 2.891 + 1446TIP3 H249708 -2.413 2.152 2.762 + 1446TIP3 OH249709 -1.654 2.165 3.003 + 1446TIP3 H149710 -1.690 2.140 2.916 + 1446TIP3 H249711 -1.562 2.137 2.994 + 1446TIP3 OH249712 -1.201 2.709 2.775 + 1446TIP3 H149713 -1.297 2.715 2.768 + 1446TIP3 H249714 -1.186 2.732 2.868 + 1446TIP3 OH249715 -0.649 1.913 1.653 + 1446TIP3 H149716 -0.702 1.893 1.574 + 1446TIP3 H249717 -0.639 2.009 1.641 + 1447TIP3 OH249718 -0.604 2.514 2.933 + 1447TIP3 H149719 -0.697 2.535 2.912 + 1447TIP3 H249720 -0.569 2.497 2.843 + 1447TIP3 OH249721 -0.824 2.775 1.665 + 1447TIP3 H149722 -0.858 2.703 1.719 + 1447TIP3 H249723 -0.776 2.728 1.595 + 1447TIP3 OH249724 -1.104 2.303 2.406 + 1447TIP3 H149725 -1.196 2.290 2.376 + 1447TIP3 H249726 -1.058 2.235 2.353 + 1447TIP3 OH249727 -1.847 2.715 2.012 + 1447TIP3 H149728 -1.793 2.794 1.992 + 1447TIP3 H249729 -1.932 2.739 1.975 + 1447TIP3 OH249730 -2.239 2.193 1.469 + 1447TIP3 H149731 -2.181 2.262 1.505 + 1447TIP3 H249732 -2.327 2.226 1.494 + 1447TIP3 OH249733 -1.659 2.477 1.973 + 1447TIP3 H149734 -1.676 2.572 1.973 + 1447TIP3 H249735 -1.743 2.441 2.002 + 1447TIP3 OH249736 -1.641 2.911 2.603 + 1447TIP3 H149737 -1.585 2.984 2.572 + 1447TIP3 H249738 -1.579 2.859 2.656 + 1447TIP3 OH249739 -1.798 3.005 1.926 + 1447TIP3 H149740 -1.893 3.023 1.932 + 1447TIP3 H249741 -1.760 3.092 1.949 + 1447TIP3 OH249742 -1.298 2.485 2.559 + 1447TIP3 H149743 -1.327 2.455 2.647 + 1447TIP3 H249744 -1.226 2.422 2.539 + 1447TIP3 OH249745 -1.069 2.600 1.490 + 1447TIP3 H149746 -1.039 2.561 1.574 + 1447TIP3 H249747 -1.164 2.589 1.509 + 1448TIP3 OH249748 -1.007 2.943 2.800 + 1448TIP3 H149749 -1.082 2.896 2.758 + 1448TIP3 H249750 -0.997 3.021 2.742 + 1448TIP3 OH249751 -0.609 3.042 1.503 + 1448TIP3 H149752 -0.539 3.106 1.482 + 1448TIP3 H249753 -0.686 3.102 1.505 + 1448TIP3 OH249754 -2.220 1.678 2.765 + 1448TIP3 H149755 -2.312 1.704 2.742 + 1448TIP3 H249756 -2.235 1.592 2.808 + 1448TIP3 OH249757 -2.247 2.854 2.607 + 1448TIP3 H149758 -2.214 2.764 2.621 + 1448TIP3 H249759 -2.222 2.895 2.690 + 1448TIP3 OH249760 -1.650 2.710 1.302 + 1448TIP3 H149761 -1.612 2.636 1.253 + 1448TIP3 H249762 -1.694 2.666 1.377 + 1448TIP3 OH249763 -1.773 2.658 1.593 + 1448TIP3 H149764 -1.708 2.605 1.645 + 1448TIP3 H249765 -1.750 2.749 1.619 + 1448TIP3 OH249766 -2.091 2.415 1.615 + 1448TIP3 H149767 -2.161 2.455 1.670 + 1448TIP3 H249768 -2.039 2.494 1.590 + 1448TIP3 OH249769 -1.308 1.669 2.633 + 1448TIP3 H149770 -1.256 1.678 2.714 + 1448TIP3 H249771 -1.372 1.600 2.659 + 1448TIP3 OH249772 -1.259 1.609 1.732 + 1448TIP3 H149773 -1.245 1.669 1.657 + 1448TIP3 H249774 -1.218 1.660 1.804 + 1448TIP3 OH249775 -1.471 2.844 1.648 + 1448TIP3 H149776 -1.561 2.879 1.651 + 1448TIP3 H249777 -1.438 2.870 1.561 + 1449TIP3 OH249778 -1.511 1.807 1.842 + 1449TIP3 H149779 -1.442 1.876 1.852 + 1449TIP3 H249780 -1.539 1.793 1.934 + 1449TIP3 OH249781 -1.484 1.895 2.757 + 1449TIP3 H149782 -1.480 1.950 2.837 + 1449TIP3 H249783 -1.426 1.822 2.779 + 1449TIP3 OH249784 -1.456 1.494 1.935 + 1449TIP3 H149785 -1.479 1.569 1.992 + 1449TIP3 H249786 -1.386 1.532 1.879 + 1449TIP3 OH249787 -1.762 2.937 1.637 + 1449TIP3 H149788 -1.764 3.020 1.587 + 1449TIP3 H249789 -1.768 2.968 1.729 + 1449TIP3 OH249790 -1.881 1.614 1.581 + 1449TIP3 H149791 -1.887 1.687 1.644 + 1449TIP3 H249792 -1.801 1.568 1.614 + 1449TIP3 OH249793 -1.004 2.082 2.253 + 1449TIP3 H149794 -1.081 2.039 2.213 + 1449TIP3 H249795 -0.956 2.007 2.292 + 1449TIP3 OH249796 -2.042 2.695 1.492 + 1449TIP3 H149797 -1.970 2.744 1.535 + 1449TIP3 H249798 -1.989 2.642 1.430 + 1449TIP3 OH249799 -2.226 1.916 1.408 + 1449TIP3 H149800 -2.217 2.011 1.430 + 1449TIP3 H249801 -2.312 1.913 1.364 + 1449TIP3 OH249802 -0.902 2.972 2.393 + 1449TIP3 H149803 -0.920 3.050 2.337 + 1449TIP3 H249804 -0.808 2.985 2.411 + 1449TIP3 OH249805 -2.142 1.419 2.285 + 1449TIP3 H149806 -2.155 1.415 2.188 + 1449TIP3 H249807 -2.176 1.334 2.314 + 1450TIP3 OH249808 -2.253 2.767 1.915 + 1450TIP3 H149809 -2.331 2.822 1.933 + 1450TIP3 H249810 -2.210 2.817 1.844 + 1450TIP3 OH249811 -2.312 3.059 3.028 + 1450TIP3 H149812 -2.253 3.031 3.101 + 1450TIP3 H249813 -2.350 2.973 3.000 + 1450TIP3 OH249814 -1.839 2.966 3.208 + 1450TIP3 H149815 -1.772 2.898 3.227 + 1450TIP3 H249816 -1.865 2.941 3.118 + 1450TIP3 OH249817 -1.433 2.883 1.355 + 1450TIP3 H149818 -1.508 2.822 1.343 + 1450TIP3 H249819 -1.361 2.837 1.308 + 1450TIP3 OH249820 -1.196 2.796 3.068 + 1450TIP3 H149821 -1.234 2.712 3.102 + 1450TIP3 H249822 -1.124 2.813 3.132 + 1450TIP3 OH249823 -0.984 2.867 1.363 + 1450TIP3 H149824 -0.965 2.795 1.424 + 1450TIP3 H249825 -0.899 2.877 1.316 + 1450TIP3 OH249826 -2.314 2.425 3.139 + 1450TIP3 H149827 -2.306 2.332 3.111 + 1450TIP3 H249828 -2.393 2.452 3.087 + 1450TIP3 OH249829 -1.886 2.464 1.337 + 1450TIP3 H149830 -1.864 2.404 1.412 + 1450TIP3 H249831 -1.821 2.440 1.271 + 1450TIP3 OH249832 -1.653 2.441 3.074 + 1450TIP3 H149833 -1.683 2.474 2.988 + 1450TIP3 H249834 -1.646 2.345 3.059 + 1450TIP3 OH249835 -1.386 2.556 1.320 + 1450TIP3 H149836 -1.390 2.580 1.414 + 1450TIP3 H249837 -1.367 2.462 1.325 + 1451TIP3 OH249838 -1.115 2.404 2.816 + 1451TIP3 H149839 -1.039 2.458 2.791 + 1451TIP3 H249840 -1.187 2.469 2.811 + 1451TIP3 OH249841 -2.228 2.141 3.056 + 1451TIP3 H149842 -2.161 2.072 3.057 + 1451TIP3 H249843 -2.236 2.157 3.152 + 1451TIP3 OH249844 -1.783 2.268 1.554 + 1451TIP3 H149845 -1.837 2.224 1.622 + 1451TIP3 H249846 -1.741 2.193 1.510 + 1451TIP3 OH249847 -1.865 2.047 2.798 + 1451TIP3 H149848 -1.917 2.126 2.822 + 1451TIP3 H249849 -1.799 2.085 2.737 + 1451TIP3 OH249850 -1.333 2.320 3.158 + 1451TIP3 H149851 -1.244 2.301 3.126 + 1451TIP3 H249852 -1.360 2.235 3.195 + 1451TIP3 OH249853 -0.736 2.316 1.319 + 1451TIP3 H149854 -0.787 2.296 1.240 + 1451TIP3 H249855 -0.742 2.414 1.319 + 1451TIP3 OH249856 -1.802 1.780 2.914 + 1451TIP3 H149857 -1.798 1.713 2.844 + 1451TIP3 H249858 -1.826 1.860 2.864 + 1451TIP3 OH249859 -1.771 1.622 2.659 + 1451TIP3 H149860 -1.719 1.678 2.598 + 1451TIP3 H249861 -1.862 1.628 2.625 + 1451TIP3 OH249862 -1.615 2.169 2.700 + 1451TIP3 H149863 -1.531 2.162 2.652 + 1451TIP3 H249864 -1.647 2.256 2.670 + 1451TIP3 OH249865 -1.158 1.962 3.174 + 1451TIP3 H149866 -1.139 1.870 3.198 + 1451TIP3 H249867 -1.069 2.002 3.179 + 1452TIP3 OH249868 -1.057 2.235 3.020 + 1452TIP3 H149869 -1.095 2.297 2.955 + 1452TIP3 H249870 -0.965 2.231 2.988 + 1452TIP3 OH249871 -1.979 1.965 3.092 + 1452TIP3 H149872 -2.038 1.888 3.099 + 1452TIP3 H249873 -1.902 1.926 3.048 + 1452TIP3 OH249874 -1.699 1.355 2.694 + 1452TIP3 H149875 -1.714 1.451 2.679 + 1452TIP3 H249876 -1.771 1.317 2.641 + 1452TIP3 OH249877 -1.569 1.812 3.073 + 1452TIP3 H149878 -1.605 1.792 3.161 + 1452TIP3 H249879 -1.649 1.795 3.019 + 1452TIP3 OH249880 -1.313 1.716 2.951 + 1452TIP3 H149881 -1.401 1.728 2.992 + 1452TIP3 H249882 -1.269 1.659 3.017 + 1452TIP3 OH249883 -1.132 1.571 3.133 + 1452TIP3 H149884 -1.148 1.475 3.148 + 1452TIP3 H249885 -1.152 1.611 3.219 + 1452TIP3 OH249886 -2.115 1.707 3.079 + 1452TIP3 H149887 -2.127 1.637 3.012 + 1452TIP3 H249888 -2.139 1.660 3.161 + 1452TIP3 OH249889 -1.716 1.306 2.977 + 1452TIP3 H149890 -1.656 1.230 2.983 + 1452TIP3 H249891 -1.718 1.322 2.881 + 1452TIP3 OH249892 -1.621 1.492 3.161 + 1452TIP3 H149893 -1.656 1.434 3.091 + 1452TIP3 H249894 -1.689 1.562 3.166 + 1452TIP3 OH249895 -1.714 3.193 1.507 + 1452TIP3 H149896 -1.620 3.204 1.523 + 1452TIP3 H249897 -1.724 3.245 1.426 + 1453TIP3 OH249898 -2.322 2.636 1.467 + 1453TIP3 H149899 -2.226 2.654 1.476 + 1453TIP3 H249900 -2.321 2.560 1.406 + 1453TIP3 OH249901 -2.425 3.157 1.942 + 1453TIP3 H149902 -2.496 3.118 1.888 + 1453TIP3 H249903 -2.411 3.088 2.010 + 1453TIP3 OH249904 -2.388 2.959 2.138 + 1453TIP3 H149905 -2.412 2.870 2.169 + 1453TIP3 H249906 -2.347 2.993 2.219 + 1453TIP3 OH249907 -0.630 3.088 2.438 + 1453TIP3 H149908 -0.612 3.081 2.533 + 1453TIP3 H249909 -0.544 3.113 2.403 + 1453TIP3 OH249910 -0.641 3.030 2.727 + 1453TIP3 H149911 -0.692 2.955 2.690 + 1453TIP3 H249912 -0.584 2.983 2.789 + 1453TIP3 OH249913 -0.840 2.569 3.157 + 1453TIP3 H149914 -0.929 2.579 3.195 + 1453TIP3 H249915 -0.795 2.650 3.185 + 1453TIP3 OH249916 -0.716 2.466 1.707 + 1453TIP3 H149917 -0.633 2.494 1.748 + 1453TIP3 H249918 -0.757 2.415 1.779 + 1453TIP3 OH249919 -0.653 2.249 1.923 + 1453TIP3 H149920 -0.731 2.205 1.961 + 1453TIP3 H249921 -0.593 2.262 1.998 + 1453TIP3 OH249922 -0.679 2.508 2.427 + 1453TIP3 H149923 -0.622 2.458 2.366 + 1453TIP3 H249924 -0.671 2.599 2.392 + 1453TIP3 OH249925 -0.810 2.800 2.649 + 1453TIP3 H149926 -0.885 2.839 2.697 + 1453TIP3 H249927 -0.855 2.764 2.569 + 1454TIP3 OH249928 -0.627 2.206 1.588 + 1454TIP3 H149929 -0.682 2.230 1.512 + 1454TIP3 H249930 -0.647 2.278 1.650 + 1454TIP3 OH249931 -0.781 1.957 1.399 + 1454TIP3 H149932 -0.791 2.010 1.319 + 1454TIP3 H249933 -0.827 1.875 1.373 + 1454TIP3 OH249934 -0.888 2.096 1.978 + 1454TIP3 H149935 -0.893 2.001 1.963 + 1454TIP3 H249936 -0.929 2.109 2.065 + 1454TIP3 OH249937 -2.378 2.298 2.379 + 1454TIP3 H149938 -2.353 2.299 2.285 + 1454TIP3 H249939 -2.292 2.273 2.418 + 1454TIP3 OH249940 -0.788 2.254 2.941 + 1454TIP3 H149941 -0.709 2.198 2.942 + 1454TIP3 H249942 -0.752 2.336 2.904 + 1454TIP3 OH249943 -0.625 2.021 3.056 + 1454TIP3 H149944 -0.706 1.991 3.009 + 1454TIP3 H249945 -0.552 1.978 3.010 + 1454TIP3 OH249946 -0.871 1.695 1.331 + 1454TIP3 H149947 -0.818 1.642 1.393 + 1454TIP3 H249948 -0.962 1.662 1.344 + 1454TIP3 OH249949 -0.872 1.828 1.833 + 1454TIP3 H149950 -0.847 1.733 1.838 + 1454TIP3 H249951 -0.794 1.863 1.787 + 1454TIP3 OH249952 -0.851 1.876 2.372 + 1454TIP3 H149953 -0.756 1.895 2.365 + 1454TIP3 H249954 -0.864 1.884 2.468 + 1454TIP3 OH249955 -0.805 1.924 2.669 + 1454TIP3 H149956 -0.892 1.959 2.693 + 1454TIP3 H249957 -0.757 2.005 2.642 + 1455TIP3 OH249958 -2.386 1.827 3.009 + 1455TIP3 H149959 -2.293 1.805 3.024 + 1455TIP3 H249960 -2.430 1.742 3.026 + 1455TIP3 OH249961 -0.600 1.403 3.125 + 1455TIP3 H149962 -0.555 1.317 3.117 + 1455TIP3 H249963 -0.529 1.462 3.096 + 1455TIP3 OH249964 -0.826 1.552 1.824 + 1455TIP3 H149965 -0.817 1.512 1.912 + 1455TIP3 H249966 -0.898 1.498 1.785 + 1455TIP3 OH249967 -2.309 1.661 2.299 + 1455TIP3 H149968 -2.262 1.576 2.303 + 1455TIP3 H249969 -2.239 1.722 2.332 + 1455TIP3 OH249970 -2.455 1.930 2.401 + 1455TIP3 H149971 -2.395 1.924 2.324 + 1455TIP3 H249972 -2.416 2.004 2.448 + 1455TIP3 OH249973 -0.626 1.580 1.482 + 1455TIP3 H149974 -0.595 1.507 1.428 + 1455TIP3 H249975 -0.544 1.631 1.492 + 1455TIP3 OH249976 -2.404 1.565 1.809 + 1455TIP3 H149977 -2.499 1.568 1.786 + 1455TIP3 H249978 -2.363 1.624 1.742 + 1455TIP3 OH249979 -0.940 3.101 2.016 + 1455TIP3 H149980 -0.897 3.066 1.936 + 1455TIP3 H249981 -0.865 3.123 2.072 + 1455TIP3 OH249982 -2.400 1.450 2.621 + 1455TIP3 H149983 -2.470 1.426 2.684 + 1455TIP3 H249984 -2.450 1.503 2.557 + 1455TIP3 OH249985 -2.201 2.766 3.090 + 1455TIP3 H149986 -2.273 2.757 3.026 + 1455TIP3 H249987 -2.246 2.752 3.175 + 1456TIP3 OH249988 -1.918 2.859 2.658 + 1456TIP3 H149989 -1.947 2.945 2.621 + 1456TIP3 H249990 -1.822 2.867 2.640 + 1456TIP3 OH249991 -1.468 2.991 2.959 + 1456TIP3 H149992 -1.452 2.971 3.052 + 1456TIP3 H249993 -1.384 3.034 2.933 + 1456TIP3 OH249994 -1.236 3.136 2.889 + 1456TIP3 H149995 -1.168 3.072 2.864 + 1456TIP3 H249996 -1.204 3.166 2.976 + 1456TIP3 OH249997 -0.766 1.436 2.814 + 1456TIP3 H149998 -0.840 1.440 2.751 + 1456TIP3 H249999 -0.731 1.346 2.793 + 1456TIP3 OH250000 -2.181 3.154 2.690 + 1456TIP3 H150001 -2.240 3.218 2.647 + 1456TIP3 H250002 -2.213 3.159 2.781 + 1456TIP3 OH250003 -1.931 3.132 2.547 + 1456TIP3 H150004 -2.016 3.151 2.590 + 1456TIP3 H250005 -1.926 3.200 2.478 + 1456TIP3 OH250006 -1.457 3.130 2.502 + 1456TIP3 H150007 -1.493 3.173 2.422 + 1456TIP3 H250008 -1.448 3.206 2.562 + 1456TIP3 OH250009 -1.224 3.005 2.599 + 1456TIP3 H150010 -1.307 3.036 2.559 + 1456TIP3 H250011 -1.166 3.082 2.588 + 1456TIP3 OH250012 -0.967 3.177 2.613 + 1456TIP3 H150013 -0.975 3.270 2.585 + 1456TIP3 H250014 -0.941 3.134 2.530 + 1456TIP3 OH250015 -2.224 3.032 2.383 + 1456TIP3 H150016 -2.223 2.985 2.470 + 1456TIP3 H250017 -2.145 2.990 2.341 + 1457TIP3 OH250018 -2.021 2.911 2.231 + 1457TIP3 H150019 -2.033 2.816 2.253 + 1457TIP3 H250020 -1.928 2.925 2.258 + 1457TIP3 OH250021 -1.747 2.956 2.318 + 1457TIP3 H150022 -1.722 2.866 2.292 + 1457TIP3 H250023 -1.737 2.950 2.415 + 1457TIP3 OH250024 -1.407 1.543 2.250 + 1457TIP3 H150025 -1.479 1.477 2.259 + 1457TIP3 H250026 -1.350 1.502 2.183 + 1457TIP3 OH250027 -0.916 1.348 2.294 + 1457TIP3 H150028 -0.839 1.390 2.250 + 1457TIP3 H250029 -0.990 1.378 2.238 + 1457TIP3 OH250030 -0.709 1.456 2.085 + 1457TIP3 H150031 -0.643 1.408 2.031 + 1457TIP3 H250032 -0.674 1.547 2.084 + 1457TIP3 OH250033 -2.171 1.406 2.005 + 1457TIP3 H150034 -2.256 1.391 1.960 + 1457TIP3 H250035 -2.125 1.322 1.986 + 1457TIP3 OH250036 -2.295 1.365 1.595 + 1457TIP3 H150037 -2.245 1.429 1.540 + 1457TIP3 H250038 -2.335 1.422 1.662 + 1457TIP3 OH250039 -1.734 1.400 1.983 + 1457TIP3 H150040 -1.639 1.417 1.971 + 1457TIP3 H250041 -1.737 1.364 2.073 + 1457TIP3 OH250042 -1.164 1.399 2.135 + 1457TIP3 H150043 -1.147 1.394 2.040 + 1457TIP3 H250044 -1.208 1.314 2.153 + 1457TIP3 OH250045 -1.050 1.407 1.719 + 1457TIP3 H150046 -1.131 1.457 1.699 + 1457TIP3 H250047 -1.085 1.316 1.732 + 1458TIP3 OH250048 -2.283 2.961 1.710 + 1458TIP3 H150049 -2.340 2.949 1.633 + 1458TIP3 H250050 -2.276 3.057 1.713 + 1458TIP3 OH250051 -2.124 1.548 1.432 + 1458TIP3 H150052 -2.065 1.491 1.380 + 1458TIP3 H250053 -2.062 1.582 1.500 + 1458TIP3 OH250054 -1.620 1.559 1.695 + 1458TIP3 H150055 -1.578 1.502 1.761 + 1458TIP3 H250056 -1.591 1.646 1.726 + 1458TIP3 OH250057 -1.409 3.141 1.519 + 1458TIP3 H150058 -1.312 3.141 1.515 + 1458TIP3 H250059 -1.429 3.073 1.452 + 1458TIP3 OH250060 -0.758 3.046 1.778 + 1458TIP3 H150061 -0.780 2.959 1.737 + 1458TIP3 H250062 -0.764 3.105 1.701 + 1458TIP3 OH250063 -2.195 1.438 2.953 + 1458TIP3 H150064 -2.236 1.360 2.993 + 1458TIP3 H250065 -2.104 1.429 2.985 + 1458TIP3 OH250066 -1.957 1.378 3.130 + 1458TIP3 H150067 -1.875 1.340 3.090 + 1458TIP3 H250068 -1.993 1.299 3.174 + 1458TIP3 OH250069 -2.138 3.048 1.388 + 1458TIP3 H150070 -2.151 3.083 1.477 + 1458TIP3 H250071 -2.054 2.999 1.396 + 1458TIP3 OH250072 -1.148 1.289 3.145 + 1458TIP3 H150073 -1.146 1.248 3.234 + 1458TIP3 H250074 -1.053 1.285 3.121 + 1458TIP3 OH250075 -0.809 2.922 3.016 + 1458TIP3 H150076 -0.882 2.903 2.954 + 1458TIP3 H250077 -0.827 3.016 3.036 + 1459TIP3 OH250078 0.611 2.290 2.030 + 1459TIP3 H150079 0.610 2.387 2.039 + 1459TIP3 H250080 0.536 2.276 1.972 + 1459TIP3 OH250081 0.494 2.235 2.338 + 1459TIP3 H150082 0.495 2.178 2.416 + 1459TIP3 H250083 0.470 2.173 2.268 + 1459TIP3 OH250084 -0.258 2.194 2.506 + 1459TIP3 H150085 -0.256 2.119 2.567 + 1459TIP3 H250086 -0.183 2.247 2.537 + 1459TIP3 OH250087 0.864 2.510 2.169 + 1459TIP3 H150088 0.827 2.437 2.220 + 1459TIP3 H250089 0.893 2.569 2.239 + 1459TIP3 OH250090 -0.191 2.657 2.354 + 1459TIP3 H150091 -0.214 2.566 2.328 + 1459TIP3 H250092 -0.098 2.644 2.376 + 1459TIP3 OH250093 -0.494 1.999 1.896 + 1459TIP3 H150094 -0.536 2.087 1.895 + 1459TIP3 H250095 -0.559 1.946 1.849 + 1459TIP3 OH250096 -0.410 2.245 2.084 + 1459TIP3 H150097 -0.397 2.158 2.126 + 1459TIP3 H250098 -0.331 2.252 2.029 + 1459TIP3 OH250099 0.572 3.045 2.226 + 1459TIP3 H150100 0.629 2.974 2.192 + 1459TIP3 H250101 0.543 3.009 2.311 + 1459TIP3 OH250102 0.345 2.486 2.394 + 1459TIP3 H150103 0.376 2.413 2.337 + 1459TIP3 H250104 0.426 2.500 2.445 + 1459TIP3 OH250105 1.211 1.638 2.457 + 1459TIP3 H150106 1.237 1.699 2.528 + 1459TIP3 H250107 1.273 1.665 2.387 + 1460TIP3 OH250108 0.675 1.919 2.444 + 1460TIP3 H150109 0.688 1.823 2.451 + 1460TIP3 H250110 0.666 1.930 2.348 + 1460TIP3 OH250111 -0.032 1.720 2.153 + 1460TIP3 H150112 -0.014 1.804 2.107 + 1460TIP3 H250113 -0.063 1.666 2.078 + 1460TIP3 OH250114 0.757 1.737 1.984 + 1460TIP3 H150115 0.815 1.694 2.051 + 1460TIP3 H250116 0.823 1.780 1.928 + 1460TIP3 OH250117 -0.361 1.991 2.204 + 1460TIP3 H150118 -0.294 1.945 2.257 + 1460TIP3 H250119 -0.352 1.946 2.118 + 1460TIP3 OH250120 0.178 2.131 2.150 + 1460TIP3 H150121 0.250 2.077 2.188 + 1460TIP3 H250122 0.129 2.065 2.098 + 1460TIP3 OH250123 1.286 1.776 2.706 + 1460TIP3 H150124 1.226 1.846 2.677 + 1460TIP3 H250125 1.261 1.770 2.800 + 1460TIP3 OH250126 -0.156 1.595 2.571 + 1460TIP3 H150127 -0.188 1.645 2.495 + 1460TIP3 H250128 -0.214 1.626 2.642 + 1460TIP3 OH250129 0.603 2.577 1.907 + 1460TIP3 H150130 0.570 2.550 1.821 + 1460TIP3 H250131 0.554 2.659 1.925 + 1460TIP3 OH250132 0.146 2.388 2.581 + 1460TIP3 H150133 0.072 2.448 2.605 + 1460TIP3 H250134 0.208 2.448 2.536 + 1460TIP3 OH250135 0.939 1.662 2.187 + 1460TIP3 H150136 0.901 1.600 2.251 + 1460TIP3 H250137 0.993 1.720 2.244 + 1461TIP3 OH250138 -0.188 1.801 2.364 + 1461TIP3 H150139 -0.123 1.860 2.408 + 1461TIP3 H250140 -0.132 1.766 2.291 + 1461TIP3 OH250141 -0.057 2.574 2.652 + 1461TIP3 H150142 -0.060 2.667 2.622 + 1461TIP3 H250143 -0.143 2.568 2.697 + 1461TIP3 OH250144 -0.431 2.542 1.741 + 1461TIP3 H150145 -0.454 2.590 1.660 + 1461TIP3 H250146 -0.417 2.612 1.807 + 1461TIP3 OH250147 0.920 2.690 2.420 + 1461TIP3 H150148 0.823 2.701 2.421 + 1461TIP3 H250149 0.948 2.775 2.381 + 1461TIP3 OH250150 0.953 1.580 2.573 + 1461TIP3 H150151 0.875 1.615 2.525 + 1461TIP3 H250152 1.025 1.595 2.509 + 1461TIP3 OH250153 0.265 1.350 2.274 + 1461TIP3 H150154 0.246 1.254 2.271 + 1461TIP3 H250155 0.184 1.385 2.314 + 1461TIP3 OH250156 0.751 2.883 2.077 + 1461TIP3 H150157 0.798 2.803 2.046 + 1461TIP3 H250158 0.818 2.952 2.062 + 1461TIP3 OH250159 0.895 2.670 1.937 + 1461TIP3 H150160 0.844 2.623 1.870 + 1461TIP3 H250161 0.890 2.606 2.011 + 1461TIP3 OH250162 1.049 2.553 2.786 + 1461TIP3 H150163 1.039 2.486 2.715 + 1461TIP3 H250164 1.064 2.635 2.735 + 1461TIP3 OH250165 0.477 2.244 1.757 + 1461TIP3 H150166 0.410 2.301 1.714 + 1461TIP3 H250167 0.548 2.245 1.690 + 1462TIP3 OH250168 0.503 2.062 1.463 + 1462TIP3 H150169 0.575 2.092 1.521 + 1462TIP3 H250170 0.552 2.004 1.403 + 1462TIP3 OH250171 1.225 2.169 2.580 + 1462TIP3 H150172 1.154 2.235 2.588 + 1462TIP3 H250173 1.274 2.203 2.503 + 1462TIP3 OH250174 0.828 2.243 1.864 + 1462TIP3 H150175 0.759 2.263 1.931 + 1462TIP3 H250176 0.888 2.186 1.915 + 1462TIP3 OH250177 0.811 2.096 2.748 + 1462TIP3 H150178 0.816 2.178 2.799 + 1462TIP3 H250179 0.746 2.123 2.681 + 1462TIP3 OH250180 -0.014 2.319 2.041 + 1462TIP3 H150181 -0.045 2.276 1.959 + 1462TIP3 H250182 0.051 2.255 2.074 + 1462TIP3 OH250183 0.124 2.661 2.314 + 1462TIP3 H150184 0.112 2.620 2.227 + 1462TIP3 H250185 0.203 2.614 2.348 + 1462TIP3 OH250186 0.044 2.201 2.391 + 1462TIP3 H150187 0.101 2.201 2.311 + 1462TIP3 H250188 0.087 2.266 2.448 + 1462TIP3 OH250189 0.638 2.753 2.448 + 1462TIP3 H150190 0.643 2.818 2.520 + 1462TIP3 H250191 0.617 2.670 2.494 + 1462TIP3 OH250192 0.130 2.633 2.872 + 1462TIP3 H150193 0.078 2.698 2.922 + 1462TIP3 H250194 0.066 2.605 2.804 + 1462TIP3 OH250195 0.723 2.188 1.608 + 1462TIP3 H150196 0.772 2.215 1.689 + 1462TIP3 H250197 0.772 2.239 1.538 + 1463TIP3 OH250198 -0.178 2.277 2.784 + 1463TIP3 H150199 -0.172 2.331 2.865 + 1463TIP3 H250200 -0.273 2.261 2.777 + 1463TIP3 OH250201 0.468 2.847 1.965 + 1463TIP3 H150202 0.516 2.875 2.044 + 1463TIP3 H250203 0.419 2.926 1.939 + 1463TIP3 OH250204 -0.061 2.853 2.956 + 1463TIP3 H150205 -0.071 2.854 2.859 + 1463TIP3 H250206 -0.149 2.823 2.987 + 1463TIP3 OH250207 1.086 1.341 1.559 + 1463TIP3 H150208 0.997 1.344 1.597 + 1463TIP3 H250209 1.116 1.432 1.568 + 1463TIP3 OH250210 -0.124 2.196 1.798 + 1463TIP3 H150211 -0.142 2.270 1.738 + 1463TIP3 H250212 -0.185 2.128 1.766 + 1463TIP3 OH250213 1.204 2.775 1.412 + 1463TIP3 H150214 1.220 2.868 1.437 + 1463TIP3 H250215 1.291 2.734 1.431 + 1463TIP3 OH250216 -0.515 2.463 2.667 + 1463TIP3 H150217 -0.560 2.464 2.580 + 1463TIP3 H250218 -0.502 2.367 2.682 + 1463TIP3 OH250219 -0.509 2.757 2.359 + 1463TIP3 H150220 -0.418 2.723 2.363 + 1463TIP3 H250221 -0.512 2.813 2.438 + 1463TIP3 OH250222 1.329 2.813 2.937 + 1463TIP3 H150223 1.319 2.718 2.919 + 1463TIP3 H250224 1.238 2.837 2.965 + 1463TIP3 OH250225 0.393 2.738 2.816 + 1463TIP3 H150226 0.401 2.820 2.870 + 1463TIP3 H250227 0.303 2.707 2.840 + 1464TIP3 OH250228 0.419 3.120 1.816 + 1464TIP3 H150229 0.422 3.126 1.719 + 1464TIP3 H250230 0.430 3.212 1.843 + 1464TIP3 OH250231 -0.199 3.034 1.978 + 1464TIP3 H150232 -0.183 2.987 2.062 + 1464TIP3 H250233 -0.279 2.990 1.946 + 1464TIP3 OH250234 0.753 3.061 1.533 + 1464TIP3 H150235 0.810 2.996 1.488 + 1464TIP3 H250236 0.747 3.023 1.623 + 1464TIP3 OH250237 0.691 3.005 1.814 + 1464TIP3 H150238 0.595 3.014 1.827 + 1464TIP3 H250239 0.709 2.931 1.875 + 1464TIP3 OH250240 1.007 1.952 2.978 + 1464TIP3 H150241 0.956 1.990 2.906 + 1464TIP3 H250242 1.012 1.858 2.951 + 1464TIP3 OH250243 -0.298 2.617 2.794 + 1464TIP3 H150244 -0.268 2.568 2.873 + 1464TIP3 H250245 -0.369 2.560 2.757 + 1464TIP3 OH250246 0.023 1.461 2.368 + 1464TIP3 H150247 -0.059 1.460 2.315 + 1464TIP3 H250248 0.005 1.537 2.427 + 1464TIP3 OH250249 0.460 1.417 2.723 + 1464TIP3 H150250 0.515 1.374 2.792 + 1464TIP3 H250251 0.370 1.391 2.750 + 1464TIP3 OH250252 0.775 1.799 2.789 + 1464TIP3 H150253 0.714 1.785 2.864 + 1464TIP3 H250254 0.767 1.894 2.772 + 1464TIP3 OH250255 0.874 2.295 1.400 + 1464TIP3 H150256 0.856 2.270 1.307 + 1464TIP3 H250257 0.969 2.316 1.396 + 1465TIP3 OH250258 0.444 1.676 1.465 + 1465TIP3 H150259 0.395 1.660 1.547 + 1465TIP3 H250260 0.401 1.611 1.406 + 1465TIP3 OH250261 0.007 1.941 2.506 + 1465TIP3 H150262 -0.041 1.957 2.589 + 1465TIP3 H250263 0.019 2.033 2.472 + 1465TIP3 OH250264 0.004 1.950 1.997 + 1465TIP3 H150265 -0.092 1.939 1.979 + 1465TIP3 H250266 0.040 1.929 1.908 + 1465TIP3 OH250267 0.565 2.006 1.875 + 1465TIP3 H150268 0.525 2.088 1.840 + 1465TIP3 H250269 0.633 1.988 1.808 + 1465TIP3 OH250270 0.492 2.036 3.003 + 1465TIP3 H150271 0.439 1.962 3.040 + 1465TIP3 H250272 0.579 2.019 3.043 + 1465TIP3 OH250273 0.650 1.946 2.152 + 1465TIP3 H150274 0.621 2.002 2.078 + 1465TIP3 H250275 0.672 1.864 2.103 + 1465TIP3 OH250276 -0.268 1.961 2.701 + 1465TIP3 H150277 -0.212 1.987 2.777 + 1465TIP3 H250278 -0.295 1.871 2.726 + 1465TIP3 OH250279 0.087 1.721 1.352 + 1465TIP3 H150280 0.051 1.683 1.434 + 1465TIP3 H250281 0.007 1.733 1.299 + 1465TIP3 OH250282 -0.572 1.701 2.056 + 1465TIP3 H150283 -0.505 1.697 2.126 + 1465TIP3 H250284 -0.527 1.664 1.977 + 1465TIP3 OH250285 -0.409 1.748 1.628 + 1465TIP3 H150286 -0.357 1.795 1.560 + 1465TIP3 H250287 -0.483 1.809 1.645 + 1466TIP3 OH250288 0.560 2.113 2.599 + 1466TIP3 H150289 0.604 2.041 2.548 + 1466TIP3 H250290 0.528 2.064 2.676 + 1466TIP3 OH250291 0.281 1.711 2.100 + 1466TIP3 H150292 0.187 1.701 2.122 + 1466TIP3 H250293 0.323 1.687 2.185 + 1466TIP3 OH250294 -0.264 1.831 1.967 + 1466TIP3 H150295 -0.345 1.855 1.920 + 1466TIP3 H250296 -0.234 1.751 1.920 + 1466TIP3 OH250297 0.101 1.869 1.738 + 1466TIP3 H150298 0.198 1.871 1.741 + 1466TIP3 H250299 0.078 1.925 1.663 + 1466TIP3 OH250300 0.719 1.623 2.403 + 1466TIP3 H150301 0.654 1.622 2.477 + 1466TIP3 H250302 0.663 1.589 2.331 + 1466TIP3 OH250303 -0.057 1.993 1.510 + 1466TIP3 H150304 -0.111 1.958 1.438 + 1466TIP3 H250305 0.027 2.009 1.464 + 1466TIP3 OH250306 1.019 3.201 3.068 + 1466TIP3 H150307 1.043 3.245 2.985 + 1466TIP3 H250308 1.090 3.231 3.127 + 1466TIP3 OH250309 -0.190 2.463 3.010 + 1466TIP3 H150310 -0.120 2.469 3.080 + 1466TIP3 H250311 -0.269 2.462 3.068 + 1466TIP3 OH250312 0.382 1.963 2.283 + 1466TIP3 H150313 0.455 1.919 2.236 + 1466TIP3 H250314 0.366 1.901 2.357 + 1466TIP3 OH250315 -0.091 1.600 1.903 + 1466TIP3 H150316 -0.145 1.520 1.910 + 1466TIP3 H250317 -0.010 1.567 1.862 + 1467TIP3 OH250318 0.280 1.809 2.505 + 1467TIP3 H150319 0.202 1.866 2.510 + 1467TIP3 H250320 0.329 1.831 2.587 + 1467TIP3 OH250321 0.290 2.451 1.696 + 1467TIP3 H150322 0.217 2.396 1.661 + 1467TIP3 H250323 0.274 2.450 1.793 + 1467TIP3 OH250324 1.015 2.365 2.571 + 1467TIP3 H150325 1.066 2.418 2.505 + 1467TIP3 H250326 0.930 2.352 2.524 + 1467TIP3 OH250327 0.716 1.722 1.466 + 1467TIP3 H150328 0.618 1.721 1.464 + 1467TIP3 H250329 0.736 1.796 1.526 + 1467TIP3 OH250330 0.458 2.449 2.828 + 1467TIP3 H150331 0.428 2.415 2.913 + 1467TIP3 H250332 0.427 2.541 2.829 + 1467TIP3 OH250333 0.775 1.910 1.677 + 1467TIP3 H150334 0.863 1.894 1.717 + 1467TIP3 H250335 0.787 1.997 1.634 + 1467TIP3 OH250336 -0.191 2.388 2.279 + 1467TIP3 H150337 -0.138 2.376 2.198 + 1467TIP3 H250338 -0.182 2.300 2.320 + 1467TIP3 OH250339 0.533 2.584 1.588 + 1467TIP3 H150340 0.507 2.669 1.629 + 1467TIP3 H250341 0.459 2.527 1.616 + 1467TIP3 OH250342 -0.478 2.218 2.814 + 1467TIP3 H150343 -0.443 2.167 2.890 + 1467TIP3 H250344 -0.522 2.152 2.759 + 1467TIP3 OH250345 0.232 2.170 2.998 + 1467TIP3 H150346 0.201 2.139 2.911 + 1467TIP3 H250347 0.324 2.137 2.996 + 1468TIP3 OH250348 0.685 2.712 2.774 + 1468TIP3 H150349 0.588 2.715 2.769 + 1468TIP3 H250350 0.700 2.732 2.868 + 1468TIP3 OH250351 1.237 1.911 1.653 + 1468TIP3 H150352 1.181 1.890 1.577 + 1468TIP3 H250353 1.247 2.008 1.638 + 1468TIP3 OH250354 1.284 2.520 2.932 + 1468TIP3 H150355 1.189 2.539 2.913 + 1468TIP3 H250356 1.316 2.497 2.843 + 1468TIP3 OH250357 1.058 2.774 1.663 + 1468TIP3 H150358 1.034 2.696 1.716 + 1468TIP3 H250359 1.111 2.736 1.592 + 1468TIP3 OH250360 0.781 2.307 2.400 + 1468TIP3 H150361 0.688 2.290 2.376 + 1468TIP3 H250362 0.826 2.235 2.352 + 1468TIP3 OH250363 0.044 2.715 2.005 + 1468TIP3 H150364 0.087 2.800 1.991 + 1468TIP3 H250365 -0.047 2.734 1.979 + 1468TIP3 OH250366 -0.359 2.199 1.474 + 1468TIP3 H150367 -0.301 2.266 1.515 + 1468TIP3 H250368 -0.445 2.223 1.512 + 1468TIP3 OH250369 0.229 2.484 1.968 + 1468TIP3 H150370 0.196 2.575 1.981 + 1468TIP3 H250371 0.158 2.432 2.010 + 1468TIP3 OH250372 0.244 2.911 2.603 + 1468TIP3 H150373 0.302 2.984 2.574 + 1468TIP3 H250374 0.306 2.859 2.658 + 1468TIP3 OH250375 0.089 3.005 1.927 + 1468TIP3 H150376 -0.007 3.019 1.934 + 1468TIP3 H250377 0.124 3.093 1.949 + 1469TIP3 OH250378 0.586 2.486 2.559 + 1469TIP3 H150379 0.557 2.456 2.647 + 1469TIP3 H250380 0.659 2.424 2.540 + 1469TIP3 OH250381 0.803 2.619 1.452 + 1469TIP3 H150382 0.845 2.570 1.526 + 1469TIP3 H250383 0.710 2.601 1.474 + 1469TIP3 OH250384 0.880 2.942 2.799 + 1469TIP3 H150385 0.805 2.895 2.758 + 1469TIP3 H250386 0.889 3.020 2.741 + 1469TIP3 OH250387 1.276 3.042 1.505 + 1469TIP3 H150388 1.346 3.106 1.483 + 1469TIP3 H250389 1.199 3.101 1.504 + 1469TIP3 OH250390 -0.379 1.693 2.770 + 1469TIP3 H150391 -0.437 1.671 2.696 + 1469TIP3 H250392 -0.359 1.605 2.807 + 1469TIP3 OH250393 0.900 2.477 1.689 + 1469TIP3 H150394 0.872 2.404 1.747 + 1469TIP3 H250395 0.997 2.473 1.698 + 1469TIP3 OH250396 -0.360 2.855 2.607 + 1469TIP3 H150397 -0.330 2.764 2.620 + 1469TIP3 H250398 -0.335 2.894 2.692 + 1469TIP3 OH250399 0.226 2.721 1.309 + 1469TIP3 H150400 0.254 2.642 1.259 + 1469TIP3 H250401 0.184 2.680 1.387 + 1469TIP3 OH250402 0.110 2.672 1.579 + 1469TIP3 H150403 0.162 2.617 1.640 + 1469TIP3 H250404 0.126 2.762 1.613 + 1469TIP3 OH250405 -0.206 2.420 1.621 + 1469TIP3 H150406 -0.280 2.456 1.674 + 1469TIP3 H250407 -0.160 2.501 1.595 + 1470TIP3 OH250408 0.559 1.664 2.622 + 1470TIP3 H150409 0.622 1.685 2.693 + 1470TIP3 H250410 0.511 1.587 2.658 + 1470TIP3 OH250411 0.627 1.605 1.746 + 1470TIP3 H150412 0.643 1.658 1.667 + 1470TIP3 H250413 0.673 1.656 1.814 + 1470TIP3 OH250414 0.408 2.839 1.644 + 1470TIP3 H150415 0.323 2.884 1.657 + 1470TIP3 H250416 0.441 2.880 1.563 + 1470TIP3 OH250417 0.367 1.805 1.842 + 1470TIP3 H150418 0.443 1.865 1.855 + 1470TIP3 H250419 0.338 1.789 1.933 + 1470TIP3 OH250420 0.400 1.897 2.759 + 1470TIP3 H150421 0.411 1.949 2.841 + 1470TIP3 H250422 0.452 1.818 2.780 + 1470TIP3 OH250423 0.426 1.509 1.934 + 1470TIP3 H150424 0.407 1.578 2.001 + 1470TIP3 H250425 0.500 1.550 1.885 + 1470TIP3 OH250426 0.127 2.942 1.642 + 1470TIP3 H150427 0.119 3.023 1.588 + 1470TIP3 H250428 0.113 2.977 1.732 + 1470TIP3 OH250429 -0.000 1.608 1.589 + 1470TIP3 H150430 -0.003 1.683 1.650 + 1470TIP3 H250431 0.080 1.561 1.617 + 1470TIP3 OH250432 1.031 1.700 2.846 + 1470TIP3 H150433 0.934 1.711 2.833 + 1470TIP3 H250434 1.054 1.675 2.755 + 1470TIP3 OH250435 0.882 2.083 2.249 + 1470TIP3 H150436 0.800 2.037 2.221 + 1470TIP3 H250437 0.930 2.011 2.295 + 1471TIP3 OH250438 -0.162 2.698 1.495 + 1471TIP3 H150439 -0.086 2.744 1.535 + 1471TIP3 H250440 -0.115 2.647 1.428 + 1471TIP3 OH250441 -0.349 1.916 1.391 + 1471TIP3 H150442 -0.337 2.004 1.429 + 1471TIP3 H250443 -0.444 1.908 1.384 + 1471TIP3 OH250444 0.982 2.970 2.387 + 1471TIP3 H150445 0.967 3.052 2.337 + 1471TIP3 H250446 1.075 2.981 2.413 + 1471TIP3 OH250447 -0.264 1.421 2.284 + 1471TIP3 H150448 -0.273 1.413 2.187 + 1471TIP3 H250449 -0.288 1.332 2.314 + 1471TIP3 OH250450 -0.364 2.767 1.914 + 1471TIP3 H150451 -0.445 2.816 1.936 + 1471TIP3 H250452 -0.329 2.818 1.839 + 1471TIP3 OH250453 -0.426 3.059 3.028 + 1471TIP3 H150454 -0.367 3.031 3.101 + 1471TIP3 H250455 -0.464 2.973 3.000 + 1471TIP3 OH250456 0.042 2.965 3.207 + 1471TIP3 H150457 0.112 2.902 3.228 + 1471TIP3 H250458 0.021 2.938 3.116 + 1471TIP3 OH250459 0.448 2.890 1.360 + 1471TIP3 H150460 0.373 2.828 1.348 + 1471TIP3 H250461 0.520 2.836 1.322 + 1471TIP3 OH250462 0.690 2.793 3.066 + 1471TIP3 H150463 0.652 2.711 3.102 + 1471TIP3 H250464 0.760 2.813 3.130 + 1471TIP3 OH250465 0.912 2.883 1.370 + 1471TIP3 H150466 0.924 2.800 1.420 + 1471TIP3 H250467 0.992 2.883 1.314 + 1472TIP3 OH250468 -0.432 2.423 3.141 + 1472TIP3 H150469 -0.418 2.333 3.109 + 1472TIP3 H250470 -0.507 2.452 3.086 + 1472TIP3 OH250471 -0.011 2.463 1.338 + 1472TIP3 H150472 0.005 2.405 1.414 + 1472TIP3 H250473 0.077 2.460 1.295 + 1472TIP3 OH250474 0.232 2.441 3.075 + 1472TIP3 H150475 0.203 2.472 2.988 + 1472TIP3 H250476 0.240 2.344 3.061 + 1472TIP3 OH250477 0.515 2.597 1.304 + 1472TIP3 H150478 0.511 2.590 1.401 + 1472TIP3 H250479 0.511 2.501 1.281 + 1472TIP3 OH250480 0.770 2.402 2.814 + 1472TIP3 H150481 0.848 2.455 2.793 + 1472TIP3 H250482 0.700 2.470 2.811 + 1472TIP3 OH250483 -0.340 2.132 3.055 + 1472TIP3 H150484 -0.264 2.071 3.057 + 1472TIP3 H250485 -0.346 2.154 3.149 + 1472TIP3 OH250486 0.101 2.272 1.576 + 1472TIP3 H150487 0.039 2.220 1.630 + 1472TIP3 H250488 0.131 2.205 1.512 + 1472TIP3 OH250489 0.014 2.050 2.789 + 1472TIP3 H150490 -0.029 2.132 2.821 + 1472TIP3 H250491 0.089 2.086 2.738 + 1472TIP3 OH250492 0.196 2.073 1.403 + 1472TIP3 H150493 0.194 2.082 1.306 + 1472TIP3 H250494 0.292 2.068 1.419 + 1472TIP3 OH250495 0.554 2.322 3.160 + 1472TIP3 H150496 0.643 2.300 3.126 + 1472TIP3 H250497 0.526 2.236 3.195 + 1473TIP3 OH250498 1.146 2.322 1.330 + 1473TIP3 H150499 1.129 2.284 1.242 + 1473TIP3 H250500 1.137 2.417 1.309 + 1473TIP3 OH250501 0.060 1.775 2.912 + 1473TIP3 H150502 0.090 1.705 2.852 + 1473TIP3 H250503 0.066 1.854 2.856 + 1473TIP3 OH250504 0.115 1.624 2.662 + 1473TIP3 H150505 0.173 1.666 2.595 + 1473TIP3 H250506 0.027 1.626 2.621 + 1473TIP3 OH250507 0.266 2.168 2.700 + 1473TIP3 H150508 0.351 2.158 2.654 + 1473TIP3 H250509 0.239 2.257 2.669 + 1473TIP3 OH250510 0.730 1.964 3.182 + 1473TIP3 H150511 0.747 1.869 3.188 + 1473TIP3 H250512 0.820 1.999 3.174 + 1473TIP3 OH250513 0.823 2.242 3.029 + 1473TIP3 H150514 0.789 2.303 2.959 + 1473TIP3 H250515 0.912 2.225 2.993 + 1473TIP3 OH250516 -0.108 1.957 3.086 + 1473TIP3 H150517 -0.162 1.877 3.096 + 1473TIP3 H250518 -0.025 1.921 3.052 + 1473TIP3 OH250519 0.190 1.339 2.695 + 1473TIP3 H150520 0.167 1.430 2.720 + 1473TIP3 H250521 0.111 1.308 2.650 + 1473TIP3 OH250522 0.307 1.839 3.079 + 1473TIP3 H150523 0.294 1.792 3.164 + 1473TIP3 H250524 0.243 1.791 3.025 + 1473TIP3 OH250525 0.560 1.722 2.970 + 1473TIP3 H150526 0.469 1.710 3.002 + 1473TIP3 H250527 0.606 1.654 3.022 + 1474TIP3 OH250528 0.758 1.569 3.134 + 1474TIP3 H150529 0.734 1.475 3.143 + 1474TIP3 H250530 0.727 1.608 3.218 + 1474TIP3 OH250531 -0.282 1.718 3.078 + 1474TIP3 H150532 -0.252 1.650 3.017 + 1474TIP3 H250533 -0.275 1.674 3.165 + 1474TIP3 OH250534 0.171 3.198 1.512 + 1474TIP3 H150535 0.267 3.207 1.521 + 1474TIP3 H250536 0.158 3.241 1.426 + 1474TIP3 OH250537 -0.439 2.639 1.464 + 1474TIP3 H150538 -0.343 2.656 1.480 + 1474TIP3 H250539 -0.435 2.559 1.407 + 1474TIP3 OH250540 -0.540 3.157 1.939 + 1474TIP3 H150541 -0.610 3.118 1.883 + 1474TIP3 H250542 -0.528 3.087 2.006 + 1474TIP3 OH250543 -0.500 2.959 2.137 + 1474TIP3 H150544 -0.528 2.871 2.166 + 1474TIP3 H250545 -0.463 2.992 2.220 + 1474TIP3 OH250546 1.255 3.091 2.438 + 1474TIP3 H150547 1.273 3.080 2.533 + 1474TIP3 H250548 1.343 3.112 2.404 + 1474TIP3 OH250549 1.246 3.030 2.725 + 1474TIP3 H150550 1.193 2.955 2.690 + 1474TIP3 H250551 1.302 2.982 2.788 + 1474TIP3 OH250552 1.045 2.573 3.153 + 1474TIP3 H150553 0.957 2.579 3.194 + 1474TIP3 H250554 1.090 2.652 3.186 + 1474TIP3 OH250555 1.185 2.463 1.728 + 1474TIP3 H150556 1.276 2.494 1.745 + 1474TIP3 H250557 1.176 2.398 1.800 + 1475TIP3 OH250558 1.229 2.262 1.925 + 1475TIP3 H150559 1.164 2.202 1.968 + 1475TIP3 H250560 1.300 2.269 1.992 + 1475TIP3 OH250561 1.203 2.508 2.422 + 1475TIP3 H150562 1.265 2.457 2.368 + 1475TIP3 H250563 1.219 2.599 2.391 + 1475TIP3 OH250564 1.076 2.803 2.646 + 1475TIP3 H150565 1.002 2.838 2.698 + 1475TIP3 H250566 1.030 2.763 2.569 + 1475TIP3 OH250567 1.257 2.202 1.582 + 1475TIP3 H150568 1.206 2.230 1.504 + 1475TIP3 H250569 1.243 2.278 1.642 + 1475TIP3 OH250570 1.082 1.954 1.405 + 1475TIP3 H150571 1.113 2.012 1.334 + 1475TIP3 H250572 1.060 1.872 1.357 + 1475TIP3 OH250573 1.023 2.072 2.006 + 1475TIP3 H150574 1.018 1.976 1.990 + 1475TIP3 H250575 0.986 2.080 2.096 + 1475TIP3 OH250576 -0.491 2.291 2.376 + 1475TIP3 H150577 -0.467 2.297 2.282 + 1475TIP3 H250578 -0.403 2.271 2.415 + 1475TIP3 OH250579 1.085 2.265 2.922 + 1475TIP3 H150580 1.158 2.202 2.936 + 1475TIP3 H250581 1.132 2.347 2.902 + 1475TIP3 OH250582 1.239 2.074 3.046 + 1475TIP3 H150583 1.161 2.021 3.021 + 1475TIP3 H250584 1.311 2.008 3.040 + 1475TIP3 OH250585 1.037 1.685 1.316 + 1475TIP3 H150586 1.088 1.641 1.387 + 1475TIP3 H250587 0.953 1.635 1.316 + 1476TIP3 OH250588 1.010 1.821 1.825 + 1476TIP3 H150589 1.034 1.726 1.829 + 1476TIP3 H250590 1.091 1.857 1.784 + 1476TIP3 OH250591 1.035 1.884 2.368 + 1476TIP3 H150592 1.132 1.892 2.365 + 1476TIP3 H250593 1.020 1.883 2.464 + 1476TIP3 OH250594 1.051 1.951 2.651 + 1476TIP3 H150595 0.966 1.990 2.677 + 1476TIP3 H250596 1.104 2.031 2.628 + 1476TIP3 OH250597 1.308 1.368 3.180 + 1476TIP3 H150598 1.348 1.298 3.125 + 1476TIP3 H250599 1.310 1.444 3.119 + 1476TIP3 OH250600 1.059 1.542 1.821 + 1476TIP3 H150601 1.068 1.507 1.912 + 1476TIP3 H250602 0.984 1.490 1.787 + 1476TIP3 OH250603 -0.426 1.660 2.306 + 1476TIP3 H150604 -0.378 1.575 2.300 + 1476TIP3 H250605 -0.352 1.720 2.329 + 1476TIP3 OH250606 -0.565 1.926 2.412 + 1476TIP3 H150607 -0.511 1.918 2.331 + 1476TIP3 H250608 -0.531 2.009 2.448 + 1476TIP3 OH250609 1.244 1.572 3.003 + 1476TIP3 H150610 1.156 1.614 3.008 + 1476TIP3 H250611 1.233 1.516 2.924 + 1476TIP3 OH250612 1.252 1.599 1.495 + 1476TIP3 H150613 1.281 1.518 1.452 + 1476TIP3 H250614 1.336 1.648 1.502 + 1476TIP3 OH250615 -0.517 1.567 1.817 + 1476TIP3 H150616 -0.606 1.553 1.783 + 1476TIP3 H250617 -0.469 1.600 1.738 + 1477TIP3 OH250618 0.944 3.094 2.018 + 1477TIP3 H150619 0.989 3.065 1.937 + 1477TIP3 H250620 1.018 3.124 2.071 + 1477TIP3 OH250621 -0.516 1.472 2.636 + 1477TIP3 H150622 -0.576 1.404 2.667 + 1477TIP3 H250623 -0.564 1.507 2.557 + 1477TIP3 OH250624 -0.315 2.761 3.090 + 1477TIP3 H150625 -0.388 2.757 3.026 + 1477TIP3 H250626 -0.362 2.757 3.175 + 1477TIP3 OH250627 -0.032 2.859 2.657 + 1477TIP3 H150628 -0.061 2.945 2.622 + 1477TIP3 H250629 0.064 2.867 2.641 + 1477TIP3 OH250630 0.419 2.991 2.959 + 1477TIP3 H150631 0.434 2.972 3.053 + 1477TIP3 H250632 0.503 3.034 2.934 + 1477TIP3 OH250633 0.649 3.136 2.882 + 1477TIP3 H150634 0.717 3.071 2.859 + 1477TIP3 H250635 0.679 3.165 2.970 + 1477TIP3 OH250636 1.133 1.395 2.801 + 1477TIP3 H150637 1.051 1.414 2.751 + 1477TIP3 H250638 1.154 1.305 2.769 + 1477TIP3 OH250639 -0.294 3.155 2.690 + 1477TIP3 H150640 -0.354 3.218 2.646 + 1477TIP3 H250641 -0.328 3.158 2.781 + 1477TIP3 OH250642 -0.044 3.132 2.547 + 1477TIP3 H150643 -0.130 3.149 2.590 + 1477TIP3 H250644 -0.042 3.200 2.477 + 1477TIP3 OH250645 0.429 3.131 2.502 + 1477TIP3 H150646 0.392 3.175 2.424 + 1477TIP3 H250647 0.438 3.205 2.565 + 1478TIP3 OH250648 0.664 3.003 2.594 + 1478TIP3 H150649 0.579 3.038 2.560 + 1478TIP3 H250650 0.720 3.082 2.592 + 1478TIP3 OH250651 0.917 3.176 2.613 + 1478TIP3 H150652 0.913 3.271 2.589 + 1478TIP3 H250653 0.945 3.137 2.528 + 1478TIP3 OH250654 -0.336 3.034 2.385 + 1478TIP3 H150655 -0.338 2.984 2.470 + 1478TIP3 H250656 -0.261 2.990 2.341 + 1478TIP3 OH250657 -0.135 2.910 2.231 + 1478TIP3 H150658 -0.149 2.816 2.254 + 1478TIP3 H250659 -0.043 2.924 2.260 + 1478TIP3 OH250660 0.142 2.956 2.318 + 1478TIP3 H150661 0.161 2.863 2.294 + 1478TIP3 H250662 0.149 2.951 2.414 + 1478TIP3 OH250663 0.473 1.546 2.246 + 1478TIP3 H150664 0.405 1.477 2.263 + 1478TIP3 H250665 0.534 1.498 2.188 + 1478TIP3 OH250666 0.970 1.348 2.294 + 1478TIP3 H150667 1.046 1.390 2.250 + 1478TIP3 H250668 0.895 1.375 2.238 + 1478TIP3 OH250669 1.178 1.457 2.085 + 1478TIP3 H150670 1.245 1.411 2.030 + 1478TIP3 H250671 1.213 1.548 2.087 + 1478TIP3 OH250672 -0.294 1.394 2.006 + 1478TIP3 H150673 -0.377 1.392 1.954 + 1478TIP3 H250674 -0.255 1.308 1.981 + 1478TIP3 OH250675 0.155 1.402 1.992 + 1478TIP3 H150676 0.248 1.426 1.975 + 1478TIP3 H250677 0.157 1.387 2.087 + 1479TIP3 OH250678 0.718 1.401 2.134 + 1479TIP3 H150679 0.742 1.384 2.042 + 1479TIP3 H250680 0.677 1.316 2.159 + 1479TIP3 OH250681 0.830 1.395 1.722 + 1479TIP3 H150682 0.748 1.447 1.709 + 1479TIP3 H250683 0.793 1.307 1.744 + 1479TIP3 OH250684 -0.391 2.961 1.709 + 1479TIP3 H150685 -0.454 2.947 1.637 + 1479TIP3 H250686 -0.393 3.057 1.715 + 1479TIP3 OH250687 -0.239 1.574 1.414 + 1479TIP3 H150688 -0.203 1.489 1.383 + 1479TIP3 H250689 -0.193 1.582 1.499 + 1479TIP3 OH250690 0.270 1.563 1.696 + 1479TIP3 H150691 0.305 1.505 1.766 + 1479TIP3 H250692 0.291 1.649 1.734 + 1479TIP3 OH250693 0.477 3.144 1.519 + 1479TIP3 H150694 0.574 3.144 1.515 + 1479TIP3 H250695 0.456 3.078 1.452 + 1479TIP3 OH250696 1.125 3.046 1.778 + 1479TIP3 H150697 1.104 2.961 1.735 + 1479TIP3 H250698 1.125 3.106 1.702 + 1479TIP3 OH250699 -0.316 1.434 2.953 + 1479TIP3 H150700 -0.345 1.349 2.991 + 1479TIP3 H250701 -0.222 1.433 2.982 + 1479TIP3 OH250702 -0.085 1.376 3.122 + 1479TIP3 H150703 0.011 1.374 3.104 + 1479TIP3 H250704 -0.097 1.290 3.166 + 1479TIP3 OH250705 -0.248 3.056 1.387 + 1479TIP3 H150706 -0.271 3.082 1.477 + 1479TIP3 H250707 -0.170 2.998 1.401 + 1480TIP3 OH250708 0.739 1.289 3.148 + 1480TIP3 H150709 0.746 1.249 3.236 + 1480TIP3 H250710 0.832 1.287 3.118 + 1480TIP3 OH250711 1.077 2.923 3.016 + 1480TIP3 H150712 1.004 2.902 2.955 + 1480TIP3 H250713 1.058 3.017 3.036 + 1480TIP3 OH250714 2.500 2.291 2.025 + 1480TIP3 H150715 2.495 2.386 2.043 + 1480TIP3 H250716 2.419 2.277 1.974 + 1480TIP3 OH250717 2.395 2.229 2.337 + 1480TIP3 H150718 2.367 2.191 2.421 + 1480TIP3 H250719 2.353 2.168 2.273 + 1480TIP3 OH250720 1.631 2.196 2.504 + 1480TIP3 H150721 1.631 2.122 2.567 + 1480TIP3 H250722 1.708 2.246 2.536 + 1480TIP3 OH250723 2.752 2.508 2.169 + 1480TIP3 H150724 2.711 2.437 2.220 + 1480TIP3 H250725 2.775 2.571 2.239 + 1480TIP3 OH250726 1.697 2.657 2.356 + 1480TIP3 H150727 1.672 2.565 2.333 + 1480TIP3 H250728 1.786 2.641 2.390 + 1480TIP3 OH250729 1.395 1.997 1.891 + 1480TIP3 H150730 1.353 2.084 1.900 + 1480TIP3 H250731 1.324 1.945 1.852 + 1480TIP3 OH250732 1.473 2.242 2.076 + 1480TIP3 H150733 1.488 2.160 2.127 + 1480TIP3 H250734 1.559 2.254 2.033 + 1480TIP3 OH250735 2.460 3.046 2.226 + 1480TIP3 H150736 2.516 2.973 2.193 + 1480TIP3 H250737 2.427 3.010 2.309 + 1481TIP3 OH250738 2.232 2.492 2.372 + 1481TIP3 H150739 2.266 2.411 2.331 + 1481TIP3 H250740 2.287 2.496 2.452 + 1481TIP3 OH250741 3.100 1.634 2.461 + 1481TIP3 H150742 3.121 1.700 2.529 + 1481TIP3 H250743 3.156 1.666 2.387 + 1481TIP3 OH250744 2.561 1.920 2.448 + 1481TIP3 H150745 2.570 1.824 2.450 + 1481TIP3 H250746 2.549 1.937 2.353 + 1481TIP3 OH250747 1.860 1.719 2.152 + 1481TIP3 H150748 1.870 1.806 2.107 + 1481TIP3 H250749 1.823 1.667 2.079 + 1481TIP3 OH250750 2.643 1.735 1.984 + 1481TIP3 H150751 2.703 1.694 2.050 + 1481TIP3 H250752 2.706 1.782 1.928 + 1481TIP3 OH250753 1.526 1.993 2.203 + 1481TIP3 H150754 1.589 1.946 2.260 + 1481TIP3 H250755 1.534 1.944 2.119 + 1481TIP3 OH250756 2.063 2.132 2.152 + 1481TIP3 H150757 2.131 2.076 2.194 + 1481TIP3 H250758 2.010 2.066 2.104 + 1481TIP3 OH250759 3.171 1.775 2.707 + 1481TIP3 H150760 3.113 1.847 2.677 + 1481TIP3 H250761 3.149 1.772 2.801 + 1481TIP3 OH250762 1.739 1.599 2.568 + 1481TIP3 H150763 1.698 1.648 2.496 + 1481TIP3 H250764 1.672 1.612 2.638 + 1481TIP3 OH250765 2.493 2.580 1.905 + 1481TIP3 H150766 2.452 2.549 1.824 + 1481TIP3 H250767 2.441 2.661 1.926 + 1482TIP3 OH250768 2.830 1.656 2.190 + 1482TIP3 H150769 2.779 1.607 2.255 + 1482TIP3 H250770 2.876 1.722 2.245 + 1482TIP3 OH250771 1.698 1.803 2.363 + 1482TIP3 H150772 1.761 1.862 2.409 + 1482TIP3 H250773 1.756 1.767 2.292 + 1482TIP3 OH250774 1.841 2.553 2.620 + 1482TIP3 H150775 1.844 2.649 2.612 + 1482TIP3 H250776 1.767 2.538 2.680 + 1482TIP3 OH250777 1.461 2.545 1.741 + 1482TIP3 H150778 1.441 2.596 1.661 + 1482TIP3 H250779 1.478 2.615 1.808 + 1482TIP3 OH250780 2.808 2.691 2.421 + 1482TIP3 H150781 2.711 2.698 2.425 + 1482TIP3 H250782 2.830 2.777 2.381 + 1482TIP3 OH250783 2.840 1.565 2.573 + 1482TIP3 H150784 2.763 1.610 2.534 + 1482TIP3 H250785 2.911 1.590 2.511 + 1482TIP3 OH250786 2.161 1.338 2.296 + 1482TIP3 H150787 2.126 1.248 2.282 + 1482TIP3 H250788 2.079 1.385 2.323 + 1482TIP3 OH250789 2.639 2.882 2.080 + 1482TIP3 H150790 2.685 2.803 2.045 + 1482TIP3 H250791 2.703 2.953 2.061 + 1482TIP3 OH250792 2.784 2.668 1.936 + 1482TIP3 H150793 2.727 2.625 1.871 + 1482TIP3 H250794 2.777 2.605 2.010 + 1482TIP3 OH250795 2.941 2.555 2.786 + 1482TIP3 H150796 2.924 2.487 2.718 + 1482TIP3 H250797 2.948 2.635 2.732 + 1483TIP3 OH250798 2.361 2.242 1.757 + 1483TIP3 H150799 2.294 2.302 1.719 + 1483TIP3 H250800 2.431 2.247 1.690 + 1483TIP3 OH250801 2.390 2.061 1.462 + 1483TIP3 H150802 2.460 2.092 1.521 + 1483TIP3 H250803 2.440 2.004 1.402 + 1483TIP3 OH250804 3.112 2.170 2.580 + 1483TIP3 H150805 3.038 2.234 2.588 + 1483TIP3 H250806 3.159 2.205 2.502 + 1483TIP3 OH250807 2.715 2.242 1.862 + 1483TIP3 H150808 2.644 2.265 1.928 + 1483TIP3 H250809 2.772 2.186 1.916 + 1483TIP3 OH250810 2.697 2.099 2.744 + 1483TIP3 H150811 2.698 2.183 2.792 + 1483TIP3 H250812 2.621 2.117 2.685 + 1483TIP3 OH250813 1.873 2.321 2.039 + 1483TIP3 H150814 1.842 2.274 1.959 + 1483TIP3 H250815 1.935 2.257 2.078 + 1483TIP3 OH250816 2.014 2.670 2.310 + 1483TIP3 H150817 1.998 2.616 2.231 + 1483TIP3 H250818 2.083 2.616 2.354 + 1483TIP3 OH250819 1.934 2.220 2.402 + 1483TIP3 H150820 1.997 2.222 2.329 + 1483TIP3 H250821 1.979 2.272 2.471 + 1483TIP3 OH250822 2.533 2.751 2.449 + 1483TIP3 H150823 2.528 2.814 2.523 + 1483TIP3 H250824 2.501 2.668 2.488 + 1483TIP3 OH250825 2.022 2.642 2.880 + 1483TIP3 H150826 1.957 2.704 2.917 + 1483TIP3 H250827 1.970 2.596 2.811 + 1484TIP3 OH250828 2.609 2.187 1.609 + 1484TIP3 H150829 2.655 2.215 1.691 + 1484TIP3 H250830 2.658 2.239 1.541 + 1484TIP3 OH250831 1.703 2.267 2.787 + 1484TIP3 H150832 1.714 2.326 2.864 + 1484TIP3 H250833 1.607 2.258 2.782 + 1484TIP3 OH250834 2.358 2.849 1.963 + 1484TIP3 H150835 2.397 2.875 2.047 + 1484TIP3 H250836 2.304 2.925 1.939 + 1484TIP3 OH250837 1.822 2.855 2.952 + 1484TIP3 H150838 1.814 2.850 2.855 + 1484TIP3 H250839 1.735 2.822 2.983 + 1484TIP3 OH250840 2.954 1.359 1.562 + 1484TIP3 H150841 2.864 1.369 1.598 + 1484TIP3 H250842 2.987 1.450 1.564 + 1484TIP3 OH250843 1.765 2.193 1.795 + 1484TIP3 H150844 1.743 2.268 1.738 + 1484TIP3 H250845 1.699 2.128 1.768 + 1484TIP3 OH250846 3.090 2.774 1.411 + 1484TIP3 H150847 3.105 2.868 1.436 + 1484TIP3 H250848 3.176 2.734 1.433 + 1484TIP3 OH250849 1.368 2.462 2.668 + 1484TIP3 H150850 1.327 2.460 2.580 + 1484TIP3 H250851 1.386 2.368 2.685 + 1484TIP3 OH250852 1.377 2.757 2.359 + 1484TIP3 H150853 1.467 2.722 2.364 + 1484TIP3 H250854 1.374 2.811 2.439 + 1484TIP3 OH250855 3.208 2.818 2.937 + 1484TIP3 H150856 3.205 2.723 2.915 + 1484TIP3 H250857 3.119 2.832 2.970 + 1485TIP3 OH250858 2.275 2.748 2.807 + 1485TIP3 H150859 2.278 2.824 2.867 + 1485TIP3 H250860 2.190 2.706 2.834 + 1485TIP3 OH250861 2.307 3.120 1.815 + 1485TIP3 H150862 2.308 3.128 1.718 + 1485TIP3 H250863 2.314 3.212 1.844 + 1485TIP3 OH250864 1.688 3.034 1.979 + 1485TIP3 H150865 1.704 2.986 2.063 + 1485TIP3 H250866 1.607 2.990 1.948 + 1485TIP3 OH250867 2.638 3.061 1.532 + 1485TIP3 H150868 2.695 2.995 1.488 + 1485TIP3 H250869 2.632 3.023 1.622 + 1485TIP3 OH250870 2.577 3.004 1.814 + 1485TIP3 H150871 2.481 3.016 1.827 + 1485TIP3 H250872 2.592 2.929 1.875 + 1485TIP3 OH250873 2.896 1.952 2.977 + 1485TIP3 H150874 2.838 1.990 2.909 + 1485TIP3 H250875 2.896 1.858 2.951 + 1485TIP3 OH250876 1.602 2.619 2.788 + 1485TIP3 H150877 1.632 2.569 2.867 + 1485TIP3 H250878 1.530 2.564 2.754 + 1485TIP3 OH250879 1.913 1.461 2.365 + 1485TIP3 H150880 1.829 1.456 2.314 + 1485TIP3 H250881 1.891 1.536 2.423 + 1485TIP3 OH250882 2.347 1.418 2.731 + 1485TIP3 H150883 2.392 1.368 2.802 + 1485TIP3 H250884 2.253 1.393 2.742 + 1485TIP3 OH250885 2.667 1.801 2.789 + 1485TIP3 H150886 2.600 1.785 2.858 + 1485TIP3 H250887 2.652 1.894 2.765 + 1486TIP3 OH250888 2.764 2.295 1.410 + 1486TIP3 H150889 2.743 2.278 1.316 + 1486TIP3 H250890 2.858 2.320 1.403 + 1486TIP3 OH250891 2.327 1.669 1.459 + 1486TIP3 H150892 2.275 1.657 1.540 + 1486TIP3 H250893 2.284 1.604 1.401 + 1486TIP3 OH250894 1.893 1.949 2.501 + 1486TIP3 H150895 1.846 1.959 2.586 + 1486TIP3 H250896 1.906 2.042 2.475 + 1486TIP3 OH250897 1.890 1.949 1.997 + 1486TIP3 H150898 1.794 1.940 1.981 + 1486TIP3 H250899 1.924 1.930 1.908 + 1486TIP3 OH250900 2.449 2.005 1.875 + 1486TIP3 H150901 2.408 2.088 1.843 + 1486TIP3 H250902 2.517 1.990 1.808 + 1486TIP3 OH250903 2.373 2.026 3.013 + 1486TIP3 H150904 2.318 1.953 3.046 + 1486TIP3 H250905 2.459 2.008 3.055 + 1486TIP3 OH250906 2.536 1.944 2.153 + 1486TIP3 H150907 2.505 2.004 2.082 + 1486TIP3 H250908 2.555 1.865 2.100 + 1486TIP3 OH250909 1.623 1.959 2.694 + 1486TIP3 H150910 1.663 1.989 2.776 + 1486TIP3 H250911 1.595 1.869 2.715 + 1486TIP3 OH250912 1.970 1.721 1.352 + 1486TIP3 H150913 1.934 1.682 1.434 + 1486TIP3 H250914 1.891 1.728 1.297 + 1486TIP3 OH250915 1.315 1.711 2.057 + 1486TIP3 H150916 1.376 1.700 2.132 + 1486TIP3 H250917 1.360 1.667 1.983 + 1487TIP3 OH250918 1.477 1.749 1.629 + 1487TIP3 H150919 1.531 1.798 1.563 + 1487TIP3 H250920 1.407 1.813 1.649 + 1487TIP3 OH250921 2.456 2.120 2.615 + 1487TIP3 H150922 2.479 2.044 2.557 + 1487TIP3 H250923 2.380 2.086 2.666 + 1487TIP3 OH250924 2.166 1.704 2.099 + 1487TIP3 H150925 2.071 1.704 2.119 + 1487TIP3 H250926 2.204 1.695 2.188 + 1487TIP3 OH250927 1.624 1.833 1.967 + 1487TIP3 H150928 1.541 1.858 1.923 + 1487TIP3 H250929 1.650 1.751 1.919 + 1487TIP3 OH250930 1.987 1.864 1.735 + 1487TIP3 H150931 2.084 1.875 1.740 + 1487TIP3 H250932 1.960 1.924 1.664 + 1487TIP3 OH250933 2.607 1.618 2.401 + 1487TIP3 H150934 2.544 1.624 2.476 + 1487TIP3 H250935 2.544 1.590 2.331 + 1487TIP3 OH250936 1.831 1.989 1.513 + 1487TIP3 H150937 1.773 1.958 1.442 + 1487TIP3 H250938 1.913 2.009 1.463 + 1487TIP3 OH250939 1.696 2.464 3.010 + 1487TIP3 H150940 1.764 2.470 3.080 + 1487TIP3 H250941 1.616 2.461 3.066 + 1487TIP3 OH250942 2.266 1.962 2.280 + 1487TIP3 H150943 2.342 1.920 2.237 + 1487TIP3 H250944 2.251 1.903 2.357 + 1487TIP3 OH250945 1.794 1.600 1.904 + 1487TIP3 H150946 1.738 1.521 1.913 + 1487TIP3 H250947 1.872 1.564 1.860 + 1488TIP3 OH250948 2.164 1.809 2.506 + 1488TIP3 H150949 2.087 1.868 2.502 + 1488TIP3 H250950 2.211 1.840 2.586 + 1488TIP3 OH250951 2.179 2.448 1.696 + 1488TIP3 H150952 2.103 2.396 1.661 + 1488TIP3 H250953 2.158 2.453 1.792 + 1488TIP3 OH250954 2.903 2.363 2.570 + 1488TIP3 H150955 2.950 2.418 2.504 + 1488TIP3 H250956 2.816 2.351 2.528 + 1488TIP3 OH250957 2.594 1.730 1.475 + 1488TIP3 H150958 2.496 1.728 1.470 + 1488TIP3 H250959 2.612 1.804 1.536 + 1488TIP3 OH250960 2.382 2.472 2.860 + 1488TIP3 H150961 2.322 2.405 2.895 + 1488TIP3 H250962 2.319 2.534 2.821 + 1488TIP3 OH250963 2.663 1.914 1.680 + 1488TIP3 H150964 2.751 1.898 1.718 + 1488TIP3 H250965 2.672 2.001 1.638 + 1488TIP3 OH250966 1.687 2.387 2.276 + 1488TIP3 H150967 1.750 2.377 2.202 + 1488TIP3 H250968 1.705 2.306 2.328 + 1488TIP3 OH250969 2.418 2.584 1.586 + 1488TIP3 H150970 2.394 2.669 1.628 + 1488TIP3 H250971 2.344 2.527 1.616 + 1488TIP3 OH250972 1.413 2.217 2.809 + 1488TIP3 H150973 1.435 2.168 2.891 + 1488TIP3 H250974 1.360 2.152 2.759 + 1488TIP3 OH250975 2.114 2.157 3.007 + 1488TIP3 H150976 2.081 2.166 2.915 + 1488TIP3 H250977 2.208 2.137 2.988 + 1489TIP3 OH250978 2.575 2.730 2.773 + 1489TIP3 H150979 2.481 2.711 2.759 + 1489TIP3 H250980 2.581 2.725 2.869 + 1489TIP3 OH250981 3.122 1.911 1.653 + 1489TIP3 H150982 3.066 1.893 1.574 + 1489TIP3 H250983 3.134 2.007 1.640 + 1489TIP3 OH250984 3.169 2.519 2.934 + 1489TIP3 H150985 3.075 2.538 2.911 + 1489TIP3 H250986 3.205 2.499 2.846 + 1489TIP3 OH250987 2.943 2.774 1.663 + 1489TIP3 H150988 2.919 2.697 1.717 + 1489TIP3 H250989 2.996 2.735 1.592 + 1489TIP3 OH250990 2.667 2.308 2.399 + 1489TIP3 H150991 2.573 2.290 2.378 + 1489TIP3 H250992 2.710 2.234 2.352 + 1489TIP3 OH250993 1.930 2.713 1.996 + 1489TIP3 H150994 1.972 2.800 1.993 + 1489TIP3 H250995 1.837 2.734 1.981 + 1489TIP3 OH250996 1.530 2.195 1.466 + 1489TIP3 H150997 1.587 2.263 1.506 + 1489TIP3 H250998 1.442 2.222 1.499 + 1489TIP3 OH250999 2.114 2.484 1.963 + 1489TIP3 H151000 2.082 2.574 1.981 + 1489TIP3 H251001 2.047 2.431 2.009 + 1489TIP3 OH251002 2.128 2.912 2.603 + 1489TIP3 H151003 2.188 2.983 2.575 + 1489TIP3 H251004 2.188 2.856 2.655 + 1489TIP3 OH251005 1.975 3.006 1.925 + 1489TIP3 H151006 1.880 3.019 1.934 + 1489TIP3 H251007 2.009 3.094 1.949 + 1490TIP3 OH251008 2.481 2.491 2.566 + 1490TIP3 H151009 2.438 2.451 2.644 + 1490TIP3 H251010 2.544 2.422 2.541 + 1490TIP3 OH251011 2.688 2.617 1.452 + 1490TIP3 H151012 2.730 2.569 1.526 + 1490TIP3 H251013 2.595 2.602 1.475 + 1490TIP3 OH251014 2.770 2.944 2.802 + 1490TIP3 H151015 2.695 2.889 2.768 + 1490TIP3 H251016 2.771 3.018 2.737 + 1490TIP3 OH251017 3.163 3.041 1.504 + 1490TIP3 H151018 3.232 3.106 1.481 + 1490TIP3 H251019 3.085 3.101 1.505 + 1490TIP3 OH251020 1.550 1.679 2.768 + 1490TIP3 H151021 1.460 1.705 2.741 + 1490TIP3 H251022 1.535 1.591 2.807 + 1490TIP3 OH251023 2.785 2.477 1.688 + 1490TIP3 H151024 2.756 2.405 1.748 + 1490TIP3 H251025 2.882 2.474 1.699 + 1490TIP3 OH251026 1.525 2.855 2.607 + 1490TIP3 H151027 1.559 2.764 2.620 + 1490TIP3 H251028 1.550 2.893 2.692 + 1490TIP3 OH251029 2.112 2.720 1.308 + 1490TIP3 H151030 2.141 2.640 1.260 + 1490TIP3 H251031 2.069 2.681 1.386 + 1490TIP3 OH251032 1.997 2.673 1.578 + 1490TIP3 H151033 2.045 2.618 1.642 + 1490TIP3 H251034 2.011 2.763 1.613 + 1490TIP3 OH251035 1.680 2.416 1.617 + 1490TIP3 H151036 1.607 2.454 1.672 + 1490TIP3 H251037 1.728 2.497 1.592 + 1491TIP3 OH251038 2.451 1.663 2.620 + 1491TIP3 H151039 2.503 1.693 2.695 + 1491TIP3 H251040 2.394 1.594 2.660 + 1491TIP3 OH251041 2.513 1.605 1.748 + 1491TIP3 H151042 2.526 1.659 1.668 + 1491TIP3 H251043 2.554 1.660 1.816 + 1491TIP3 OH251044 2.293 2.837 1.643 + 1491TIP3 H151045 2.209 2.884 1.659 + 1491TIP3 H251046 2.326 2.881 1.564 + 1491TIP3 OH251047 2.255 1.803 1.843 + 1491TIP3 H151048 2.328 1.868 1.857 + 1491TIP3 H251049 2.222 1.791 1.933 + 1491TIP3 OH251050 2.284 1.910 2.755 + 1491TIP3 H151051 2.291 1.962 2.837 + 1491TIP3 H251052 2.335 1.832 2.778 + 1491TIP3 OH251053 2.315 1.508 1.942 + 1491TIP3 H151054 2.287 1.582 1.999 + 1491TIP3 H251055 2.382 1.550 1.886 + 1491TIP3 OH251056 2.012 2.942 1.642 + 1491TIP3 H151057 2.005 3.024 1.589 + 1491TIP3 H251058 1.998 2.976 1.733 + 1491TIP3 OH251059 1.884 1.608 1.589 + 1491TIP3 H151060 1.884 1.684 1.650 + 1491TIP3 H251061 1.965 1.561 1.617 + 1491TIP3 OH251062 2.917 1.696 2.846 + 1491TIP3 H151063 2.822 1.714 2.834 + 1491TIP3 H251064 2.940 1.679 2.753 + 1491TIP3 OH251065 2.770 2.081 2.246 + 1491TIP3 H151066 2.684 2.041 2.223 + 1491TIP3 H251067 2.814 2.009 2.295 + 1492TIP3 OH251068 1.724 2.698 1.495 + 1492TIP3 H151069 1.799 2.745 1.535 + 1492TIP3 H251070 1.773 2.646 1.429 + 1492TIP3 OH251071 1.536 1.918 1.397 + 1492TIP3 H151072 1.550 2.010 1.425 + 1492TIP3 H251073 1.442 1.917 1.376 + 1492TIP3 OH251074 2.870 2.970 2.388 + 1492TIP3 H151075 2.851 3.049 2.336 + 1492TIP3 H251076 2.963 2.984 2.410 + 1492TIP3 OH251077 1.632 1.418 2.283 + 1492TIP3 H151078 1.613 1.413 2.187 + 1492TIP3 H251079 1.597 1.333 2.315 + 1492TIP3 OH251080 1.520 2.769 1.915 + 1492TIP3 H151081 1.441 2.820 1.937 + 1492TIP3 H251082 1.557 2.820 1.842 + 1492TIP3 OH251083 1.459 3.059 3.028 + 1492TIP3 H151084 1.518 3.030 3.101 + 1492TIP3 H251085 1.422 2.973 3.000 + 1492TIP3 OH251086 1.931 2.965 3.207 + 1492TIP3 H151087 1.998 2.897 3.226 + 1492TIP3 H251088 1.906 2.940 3.116 + 1492TIP3 OH251089 2.334 2.890 1.358 + 1492TIP3 H151090 2.258 2.829 1.349 + 1492TIP3 H251091 2.405 2.835 1.322 + 1492TIP3 OH251092 2.571 2.796 3.069 + 1492TIP3 H151093 2.527 2.712 3.094 + 1492TIP3 H251094 2.644 2.800 3.133 + 1492TIP3 OH251095 2.797 2.882 1.369 + 1492TIP3 H151096 2.810 2.800 1.420 + 1492TIP3 H251097 2.877 2.884 1.313 + 1493TIP3 OH251098 1.454 2.421 3.142 + 1493TIP3 H151099 1.466 2.331 3.107 + 1493TIP3 H251100 1.379 2.452 3.087 + 1493TIP3 OH251101 1.877 2.465 1.342 + 1493TIP3 H151102 1.891 2.405 1.417 + 1493TIP3 H251103 1.963 2.458 1.297 + 1493TIP3 OH251104 2.111 2.438 3.076 + 1493TIP3 H151105 2.092 2.471 2.987 + 1493TIP3 H251106 2.124 2.343 3.060 + 1493TIP3 OH251107 2.401 2.597 1.303 + 1493TIP3 H151108 2.396 2.592 1.400 + 1493TIP3 H251109 2.396 2.501 1.281 + 1493TIP3 OH251110 2.661 2.398 2.815 + 1493TIP3 H151111 2.726 2.464 2.791 + 1493TIP3 H251112 2.578 2.450 2.817 + 1493TIP3 OH251113 1.541 2.135 3.057 + 1493TIP3 H151114 1.615 2.072 3.056 + 1493TIP3 H251115 1.536 2.155 3.152 + 1493TIP3 OH251116 1.985 2.273 1.576 + 1493TIP3 H151117 1.924 2.222 1.631 + 1493TIP3 H251118 2.015 2.204 1.512 + 1493TIP3 OH251119 1.906 2.042 2.791 + 1493TIP3 H151120 1.857 2.118 2.826 + 1493TIP3 H251121 1.972 2.092 2.738 + 1493TIP3 OH251122 2.081 2.075 1.402 + 1493TIP3 H151123 2.075 2.078 1.305 + 1493TIP3 H251124 2.177 2.069 1.416 + 1493TIP3 OH251125 2.441 2.319 3.169 + 1493TIP3 H151126 2.524 2.297 3.124 + 1493TIP3 H251127 2.411 2.231 3.198 + 1494TIP3 OH251128 3.033 2.326 1.334 + 1494TIP3 H151129 3.021 2.283 1.248 + 1494TIP3 H251130 3.021 2.420 1.309 + 1494TIP3 OH251131 1.967 1.777 2.915 + 1494TIP3 H151132 1.972 1.710 2.844 + 1494TIP3 H251133 1.947 1.858 2.865 + 1494TIP3 OH251134 2.001 1.620 2.658 + 1494TIP3 H151135 2.051 1.678 2.597 + 1494TIP3 H251136 1.909 1.626 2.625 + 1494TIP3 OH251137 2.614 1.961 3.178 + 1494TIP3 H151138 2.632 1.868 3.198 + 1494TIP3 H251139 2.703 1.998 3.174 + 1494TIP3 OH251140 2.712 2.241 3.030 + 1494TIP3 H151141 2.674 2.299 2.960 + 1494TIP3 H251142 2.799 2.224 2.989 + 1494TIP3 OH251143 1.786 1.963 3.094 + 1494TIP3 H151144 1.735 1.880 3.093 + 1494TIP3 H251145 1.869 1.936 3.051 + 1494TIP3 OH251146 2.079 1.353 2.686 + 1494TIP3 H151147 2.059 1.448 2.673 + 1494TIP3 H251148 2.003 1.313 2.638 + 1494TIP3 OH251149 2.200 1.813 3.073 + 1494TIP3 H151150 2.165 1.792 3.161 + 1494TIP3 H251151 2.120 1.796 3.020 + 1494TIP3 OH251152 2.451 1.716 2.958 + 1494TIP3 H151153 2.364 1.727 2.999 + 1494TIP3 H251154 2.496 1.658 3.022 + 1494TIP3 OH251155 2.640 1.566 3.137 + 1494TIP3 H151156 2.618 1.472 3.154 + 1494TIP3 H251157 2.618 1.610 3.221 + 1495TIP3 OH251158 1.655 1.708 3.078 + 1495TIP3 H151159 1.645 1.638 3.012 + 1495TIP3 H251160 1.632 1.661 3.161 + 1495TIP3 OH251161 2.055 1.308 2.976 + 1495TIP3 H151162 2.112 1.229 2.984 + 1495TIP3 H251163 2.053 1.322 2.880 + 1495TIP3 OH251164 2.152 1.494 3.158 + 1495TIP3 H151165 2.116 1.434 3.090 + 1495TIP3 H251166 2.082 1.561 3.165 + 1495TIP3 OH251167 2.057 3.197 1.512 + 1495TIP3 H151168 2.153 3.208 1.522 + 1495TIP3 H251169 2.043 3.242 1.427 + 1495TIP3 OH251170 1.448 2.638 1.463 + 1495TIP3 H151171 1.544 2.655 1.478 + 1495TIP3 H251172 1.450 2.558 1.407 + 1495TIP3 OH251173 1.346 3.157 1.939 + 1495TIP3 H151174 1.276 3.118 1.884 + 1495TIP3 H251175 1.358 3.087 2.007 + 1495TIP3 OH251176 1.385 2.959 2.137 + 1495TIP3 H151177 1.358 2.871 2.168 + 1495TIP3 H251178 1.423 2.992 2.220 + 1495TIP3 OH251179 3.144 3.082 2.436 + 1495TIP3 H151180 3.159 3.084 2.531 + 1495TIP3 H251181 3.227 3.118 2.402 + 1495TIP3 OH251182 3.130 3.029 2.731 + 1495TIP3 H151183 3.080 2.958 2.686 + 1495TIP3 H251184 3.188 2.975 2.787 + 1495TIP3 OH251185 2.932 2.582 3.150 + 1495TIP3 H151186 2.847 2.576 3.196 + 1495TIP3 H251187 2.980 2.652 3.198 + 1496TIP3 OH251188 3.071 2.463 1.727 + 1496TIP3 H151189 3.162 2.494 1.745 + 1496TIP3 H251190 3.061 2.398 1.800 + 1496TIP3 OH251191 3.117 2.258 1.924 + 1496TIP3 H151192 3.049 2.202 1.967 + 1496TIP3 H251193 3.184 2.270 1.994 + 1496TIP3 OH251194 3.092 2.509 2.425 + 1496TIP3 H151195 3.151 2.459 2.366 + 1496TIP3 H251196 3.099 2.599 2.389 + 1496TIP3 OH251197 2.961 2.801 2.646 + 1496TIP3 H151198 2.885 2.839 2.694 + 1496TIP3 H251199 2.917 2.764 2.567 + 1496TIP3 OH251200 3.144 2.203 1.583 + 1496TIP3 H151201 3.091 2.230 1.505 + 1496TIP3 H251202 3.129 2.278 1.643 + 1496TIP3 OH251203 2.973 1.958 1.410 + 1496TIP3 H151204 2.995 2.018 1.337 + 1496TIP3 H251205 2.945 1.877 1.362 + 1496TIP3 OH251206 2.912 2.071 2.007 + 1496TIP3 H151207 2.902 1.976 1.990 + 1496TIP3 H251208 2.872 2.081 2.096 + 1496TIP3 OH251209 1.395 2.294 2.378 + 1496TIP3 H151210 1.421 2.299 2.285 + 1496TIP3 H251211 1.482 2.272 2.419 + 1496TIP3 OH251212 2.972 2.265 2.922 + 1496TIP3 H151213 3.045 2.202 2.938 + 1496TIP3 H251214 3.019 2.347 2.901 + 1496TIP3 OH251215 3.127 2.075 3.044 + 1496TIP3 H151216 3.047 2.022 3.020 + 1496TIP3 H251217 3.197 2.007 3.039 + 1497TIP3 OH251218 2.917 1.693 1.329 + 1497TIP3 H151219 2.971 1.641 1.391 + 1497TIP3 H251220 2.835 1.642 1.320 + 1497TIP3 OH251221 2.898 1.821 1.826 + 1497TIP3 H151222 2.922 1.725 1.829 + 1497TIP3 H251223 2.977 1.858 1.784 + 1497TIP3 OH251224 2.920 1.878 2.368 + 1497TIP3 H151225 3.017 1.893 2.366 + 1497TIP3 H251226 2.903 1.887 2.463 + 1497TIP3 OH251227 2.935 1.952 2.649 + 1497TIP3 H151228 2.849 1.989 2.676 + 1497TIP3 H251229 2.986 2.032 2.630 + 1497TIP3 OH251230 1.387 1.828 3.019 + 1497TIP3 H151231 1.480 1.802 3.020 + 1497TIP3 H251232 1.342 1.742 3.023 + 1497TIP3 OH251233 3.198 1.369 3.181 + 1497TIP3 H151234 3.233 1.298 3.123 + 1497TIP3 H251235 3.195 1.445 3.120 + 1497TIP3 OH251236 2.946 1.541 1.822 + 1497TIP3 H151237 2.951 1.511 1.914 + 1497TIP3 H251238 2.865 1.493 1.791 + 1497TIP3 OH251239 1.463 1.661 2.298 + 1497TIP3 H151240 1.509 1.576 2.304 + 1497TIP3 H251241 1.532 1.721 2.333 + 1497TIP3 OH251242 1.317 1.929 2.402 + 1497TIP3 H151243 1.375 1.923 2.324 + 1497TIP3 H251244 1.356 2.005 2.447 + 1497TIP3 OH251245 3.130 1.569 3.002 + 1497TIP3 H151246 3.043 1.613 3.011 + 1497TIP3 H251247 3.115 1.518 2.921 + 1498TIP3 OH251248 3.141 1.587 1.492 + 1498TIP3 H151249 3.172 1.510 1.441 + 1498TIP3 H251250 3.221 1.643 1.495 + 1498TIP3 OH251251 1.367 1.569 1.816 + 1498TIP3 H151252 1.273 1.565 1.790 + 1498TIP3 H251253 1.409 1.619 1.744 + 1498TIP3 OH251254 2.830 3.093 2.017 + 1498TIP3 H151255 2.876 3.065 1.936 + 1498TIP3 H251256 2.903 3.124 2.072 + 1498TIP3 OH251257 1.372 1.452 2.623 + 1498TIP3 H151258 1.300 1.424 2.682 + 1498TIP3 H251259 1.321 1.503 2.556 + 1498TIP3 OH251260 1.571 2.760 3.087 + 1498TIP3 H151261 1.498 2.756 3.023 + 1498TIP3 H251262 1.524 2.754 3.171 + 1498TIP3 OH251263 1.853 2.848 2.658 + 1498TIP3 H151264 1.821 2.932 2.622 + 1498TIP3 H251265 1.948 2.856 2.637 + 1498TIP3 OH251266 2.299 2.999 2.964 + 1498TIP3 H151267 2.318 2.968 3.053 + 1498TIP3 H251268 2.387 3.028 2.932 + 1498TIP3 OH251269 2.536 3.136 2.881 + 1498TIP3 H151270 2.596 3.069 2.845 + 1498TIP3 H251271 2.575 3.152 2.967 + 1498TIP3 OH251272 3.009 1.393 2.796 + 1498TIP3 H151273 2.934 1.423 2.742 + 1498TIP3 H251274 3.029 1.304 2.760 + 1498TIP3 OH251275 1.592 3.156 2.691 + 1498TIP3 H151276 1.532 3.218 2.646 + 1498TIP3 H251277 1.556 3.157 2.780 + 1499TIP3 OH251278 1.843 3.129 2.548 + 1499TIP3 H151279 1.757 3.145 2.591 + 1499TIP3 H251280 1.844 3.198 2.478 + 1499TIP3 OH251281 2.317 3.132 2.501 + 1499TIP3 H151282 2.277 3.174 2.423 + 1499TIP3 H251283 2.322 3.207 2.563 + 1499TIP3 OH251284 2.550 3.008 2.599 + 1499TIP3 H151285 2.465 3.036 2.560 + 1499TIP3 H251286 2.604 3.087 2.586 + 1499TIP3 OH251287 2.807 3.176 2.614 + 1499TIP3 H151288 2.802 3.271 2.590 + 1499TIP3 H251289 2.830 3.138 2.527 + 1499TIP3 OH251290 1.550 3.034 2.385 + 1499TIP3 H151291 1.547 2.984 2.470 + 1499TIP3 H251292 1.625 2.989 2.341 + 1499TIP3 OH251293 1.751 2.907 2.231 + 1499TIP3 H151294 1.736 2.814 2.257 + 1499TIP3 H251295 1.843 2.921 2.261 + 1499TIP3 OH251296 2.030 2.956 2.317 + 1499TIP3 H151297 2.045 2.861 2.296 + 1499TIP3 H251298 2.034 2.951 2.414 + 1499TIP3 OH251299 2.366 1.544 2.254 + 1499TIP3 H151300 2.295 1.480 2.271 + 1499TIP3 H251301 2.413 1.503 2.181 + 1499TIP3 OH251302 2.856 1.341 2.292 + 1499TIP3 H151303 2.931 1.391 2.254 + 1499TIP3 H251304 2.781 1.376 2.240 + 1499TIP3 OH251305 3.065 1.454 2.083 + 1499TIP3 H151306 3.135 1.417 2.027 + 1499TIP3 H251307 3.093 1.547 2.092 + 1500TIP3 OH251308 1.594 1.396 2.001 + 1500TIP3 H151309 1.508 1.391 1.954 + 1500TIP3 H251310 1.630 1.307 1.982 + 1500TIP3 OH251311 1.480 1.350 1.598 + 1500TIP3 H151312 1.513 1.417 1.538 + 1500TIP3 H251313 1.427 1.400 1.661 + 1500TIP3 OH251314 2.045 1.395 1.993 + 1500TIP3 H151315 2.137 1.426 1.985 + 1500TIP3 H251316 2.036 1.384 2.089 + 1500TIP3 OH251317 2.611 1.399 2.134 + 1500TIP3 H151318 2.624 1.395 2.038 + 1500TIP3 H251319 2.559 1.318 2.150 + 1500TIP3 OH251320 2.713 1.402 1.733 + 1500TIP3 H151321 2.632 1.455 1.719 + 1500TIP3 H251322 2.676 1.313 1.742 + 1500TIP3 OH251323 1.494 2.961 1.708 + 1500TIP3 H151324 1.431 2.948 1.636 + 1500TIP3 H251325 1.493 3.057 1.715 + 1500TIP3 OH251326 1.650 1.561 1.426 + 1500TIP3 H151327 1.696 1.484 1.391 + 1500TIP3 H251328 1.705 1.582 1.503 + 1500TIP3 OH251329 2.159 1.563 1.695 + 1500TIP3 H151330 2.188 1.506 1.768 + 1500TIP3 H251331 2.175 1.650 1.732 + 1500TIP3 OH251332 2.362 3.144 1.519 + 1500TIP3 H151333 2.459 3.144 1.515 + 1500TIP3 H251334 2.342 3.078 1.452 + 1500TIP3 OH251335 3.013 3.046 1.778 + 1500TIP3 H151336 2.989 2.961 1.735 + 1500TIP3 H251337 3.007 3.107 1.703 + 1501TIP3 OH251338 1.575 1.440 2.958 + 1501TIP3 H151339 1.535 1.358 2.992 + 1501TIP3 H251340 1.667 1.426 2.984 + 1501TIP3 OH251341 1.813 1.378 3.129 + 1501TIP3 H151342 1.895 1.341 3.090 + 1501TIP3 H251343 1.778 1.299 3.175 + 1501TIP3 OH251344 1.639 3.057 1.387 + 1501TIP3 H151345 1.615 3.082 1.477 + 1501TIP3 H251346 1.714 2.998 1.402 + 1501TIP3 OH251347 2.624 1.283 3.137 + 1501TIP3 H151348 2.621 1.246 3.228 + 1501TIP3 H251349 2.720 1.288 3.122 + 1501TIP3 OH251350 2.948 2.967 3.032 + 1501TIP3 H151351 2.893 2.917 2.969 + 1501TIP3 H251352 2.953 3.051 2.985 + 1501TIP3 OH251353 4.214 2.194 2.340 + 1501TIP3 H151354 4.291 2.224 2.392 + 1501TIP3 H251355 4.248 2.200 2.250 + 1501TIP3 OH251356 3.515 2.193 2.503 + 1501TIP3 H151357 3.513 2.119 2.567 + 1501TIP3 H251358 3.586 2.247 2.540 + 1501TIP3 OH251359 3.588 2.655 2.369 + 1501TIP3 H151360 3.566 2.563 2.344 + 1501TIP3 H251361 3.681 2.644 2.391 + 1501TIP3 OH251362 3.280 1.997 1.892 + 1501TIP3 H151363 3.240 2.085 1.901 + 1501TIP3 H251364 3.208 1.947 1.851 + 1501TIP3 OH251365 3.361 2.243 2.079 + 1501TIP3 H151366 3.375 2.159 2.127 + 1501TIP3 H251367 3.445 2.253 2.031 + 1502TIP3 OH251368 4.121 2.489 2.395 + 1502TIP3 H151369 4.155 2.413 2.346 + 1502TIP3 H251370 4.195 2.511 2.453 + 1502TIP3 OH251371 3.747 1.719 2.154 + 1502TIP3 H151372 3.757 1.806 2.111 + 1502TIP3 H251373 3.708 1.668 2.079 + 1502TIP3 OH251374 3.411 1.993 2.203 + 1502TIP3 H151375 3.474 1.946 2.260 + 1502TIP3 H251376 3.420 1.944 2.119 + 1502TIP3 OH251377 3.950 2.129 2.149 + 1502TIP3 H151378 4.028 2.081 2.182 + 1502TIP3 H251379 3.902 2.059 2.102 + 1502TIP3 OH251380 3.627 1.591 2.566 + 1502TIP3 H151381 3.591 1.642 2.491 + 1502TIP3 H251382 3.559 1.608 2.635 + 1502TIP3 OH251383 3.913 2.379 2.577 + 1502TIP3 H151384 3.845 2.439 2.615 + 1502TIP3 H251385 3.982 2.443 2.553 + 1502TIP3 OH251386 3.583 1.803 2.362 + 1502TIP3 H151387 3.647 1.862 2.409 + 1502TIP3 H251388 3.641 1.767 2.292 + 1502TIP3 OH251389 3.717 2.574 2.659 + 1502TIP3 H151390 3.734 2.668 2.644 + 1502TIP3 H251391 3.635 2.578 2.711 + 1502TIP3 OH251392 3.348 2.545 1.741 + 1502TIP3 H151393 3.327 2.594 1.660 + 1502TIP3 H251394 3.363 2.616 1.808 + 1502TIP3 OH251395 4.268 2.240 1.738 + 1502TIP3 H151396 4.200 2.308 1.724 + 1502TIP3 H251397 4.329 2.258 1.667 + 1503TIP3 OH251398 4.289 2.078 1.461 + 1503TIP3 H151399 4.361 2.069 1.526 + 1503TIP3 H251400 4.294 1.995 1.412 + 1503TIP3 OH251401 3.757 2.317 2.042 + 1503TIP3 H151402 3.728 2.274 1.960 + 1503TIP3 H251403 3.824 2.254 2.075 + 1503TIP3 OH251404 3.898 2.660 2.314 + 1503TIP3 H151405 3.891 2.614 2.230 + 1503TIP3 H251406 3.973 2.614 2.355 + 1503TIP3 OH251407 3.814 2.195 2.387 + 1503TIP3 H151408 3.874 2.197 2.309 + 1503TIP3 H251409 3.851 2.266 2.443 + 1503TIP3 OH251410 3.593 2.267 2.786 + 1503TIP3 H151411 3.603 2.331 2.859 + 1503TIP3 H251412 3.497 2.259 2.779 + 1503TIP3 OH251413 4.253 2.842 1.959 + 1503TIP3 H151414 4.299 2.891 2.029 + 1503TIP3 H251415 4.200 2.912 1.917 + 1503TIP3 OH251416 3.711 2.860 2.960 + 1503TIP3 H151417 3.734 2.825 2.872 + 1503TIP3 H251418 3.635 2.806 2.985 + 1503TIP3 OH251419 3.650 2.192 1.794 + 1503TIP3 H151420 3.631 2.269 1.739 + 1503TIP3 H251421 3.582 2.129 1.766 + 1503TIP3 OH251422 3.256 2.460 2.666 + 1503TIP3 H151423 3.209 2.460 2.580 + 1503TIP3 H251424 3.268 2.365 2.683 + 1503TIP3 OH251425 3.265 2.760 2.358 + 1503TIP3 H151426 3.354 2.723 2.368 + 1503TIP3 H251427 3.255 2.812 2.439 + 1504TIP3 OH251428 4.181 3.121 1.813 + 1504TIP3 H151429 4.204 3.120 1.719 + 1504TIP3 H251430 4.210 3.208 1.843 + 1504TIP3 OH251431 3.573 3.035 1.979 + 1504TIP3 H151432 3.587 2.986 2.062 + 1504TIP3 H251433 3.492 2.994 1.945 + 1504TIP3 OH251434 3.466 2.622 2.799 + 1504TIP3 H151435 3.503 2.567 2.871 + 1504TIP3 H251436 3.403 2.561 2.755 + 1504TIP3 OH251437 3.825 1.452 2.350 + 1504TIP3 H151438 3.739 1.444 2.307 + 1504TIP3 H251439 3.812 1.532 2.403 + 1504TIP3 OH251440 4.234 1.393 2.792 + 1504TIP3 H151441 4.243 1.324 2.859 + 1504TIP3 H251442 4.142 1.379 2.763 + 1504TIP3 OH251443 4.227 1.679 1.459 + 1504TIP3 H151444 4.171 1.663 1.535 + 1504TIP3 H251445 4.197 1.609 1.399 + 1504TIP3 OH251446 3.780 1.941 2.509 + 1504TIP3 H151447 3.720 1.954 2.584 + 1504TIP3 H251448 3.788 2.032 2.472 + 1504TIP3 OH251449 3.774 1.946 1.998 + 1504TIP3 H151450 3.678 1.940 1.982 + 1504TIP3 H251451 3.808 1.933 1.908 + 1504TIP3 OH251452 4.248 2.033 1.911 + 1504TIP3 H151453 4.239 2.121 1.868 + 1504TIP3 H251454 4.343 2.020 1.891 + 1504TIP3 OH251455 4.258 2.029 3.030 + 1504TIP3 H151456 4.197 1.953 3.042 + 1504TIP3 H251457 4.343 1.983 3.027 + 1505TIP3 OH251458 3.516 1.958 2.693 + 1505TIP3 H151459 3.542 1.990 2.780 + 1505TIP3 H251460 3.482 1.869 2.713 + 1505TIP3 OH251461 3.863 1.719 1.351 + 1505TIP3 H151462 3.820 1.682 1.430 + 1505TIP3 H251463 3.788 1.737 1.293 + 1505TIP3 OH251464 3.200 1.705 2.057 + 1505TIP3 H151465 3.261 1.701 2.133 + 1505TIP3 H251466 3.250 1.667 1.984 + 1505TIP3 OH251467 3.361 1.749 1.629 + 1505TIP3 H151468 3.413 1.798 1.562 + 1505TIP3 H251469 3.289 1.813 1.646 + 1505TIP3 OH251470 4.353 2.069 2.629 + 1505TIP3 H151471 4.370 2.013 2.551 + 1505TIP3 H251472 4.271 2.030 2.663 + 1505TIP3 OH251473 4.045 1.673 2.120 + 1505TIP3 H151474 3.952 1.698 2.128 + 1505TIP3 H251475 4.086 1.737 2.182 + 1505TIP3 OH251476 3.507 1.831 1.968 + 1505TIP3 H151477 3.426 1.860 1.922 + 1505TIP3 H251478 3.534 1.752 1.918 + 1505TIP3 OH251479 3.875 1.860 1.731 + 1505TIP3 H151480 3.969 1.883 1.738 + 1505TIP3 H251481 3.841 1.921 1.663 + 1505TIP3 OH251482 3.724 1.985 1.513 + 1505TIP3 H151483 3.661 1.963 1.443 + 1505TIP3 H251484 3.803 2.004 1.462 + 1505TIP3 OH251485 3.579 2.465 3.009 + 1505TIP3 H151486 3.650 2.471 3.076 + 1505TIP3 H251487 3.501 2.458 3.068 + 1506TIP3 OH251488 4.142 1.898 2.244 + 1506TIP3 H151489 4.232 1.901 2.209 + 1506TIP3 H251490 4.160 1.917 2.338 + 1506TIP3 OH251491 3.687 1.602 1.905 + 1506TIP3 H151492 3.625 1.527 1.913 + 1506TIP3 H251493 3.756 1.567 1.847 + 1506TIP3 OH251494 4.049 1.795 2.515 + 1506TIP3 H151495 3.981 1.862 2.496 + 1506TIP3 H251496 4.099 1.837 2.588 + 1506TIP3 OH251497 4.072 2.433 1.700 + 1506TIP3 H151498 3.994 2.387 1.664 + 1506TIP3 H251499 4.049 2.443 1.795 + 1506TIP3 OH251500 3.579 2.388 2.280 + 1506TIP3 H151501 3.635 2.378 2.200 + 1506TIP3 H251502 3.589 2.301 2.322 + 1506TIP3 OH251503 4.287 2.575 1.597 + 1506TIP3 H151504 4.260 2.664 1.627 + 1506TIP3 H251505 4.211 2.522 1.629 + 1506TIP3 OH251506 3.303 2.215 2.806 + 1506TIP3 H151507 3.320 2.169 2.891 + 1506TIP3 H251508 3.243 2.154 2.760 + 1506TIP3 OH251509 4.001 2.152 3.011 + 1506TIP3 H151510 3.968 2.135 2.921 + 1506TIP3 H251511 4.097 2.145 2.997 + 1506TIP3 OH251512 3.814 2.714 2.003 + 1506TIP3 H151513 3.858 2.800 1.992 + 1506TIP3 H251514 3.723 2.735 1.979 + 1506TIP3 OH251515 3.416 2.194 1.466 + 1506TIP3 H151516 3.473 2.263 1.505 + 1506TIP3 H251517 3.328 2.221 1.498 + 1507TIP3 OH251518 3.994 2.483 1.962 + 1507TIP3 H151519 3.969 2.575 1.981 + 1507TIP3 H251520 3.925 2.434 2.009 + 1507TIP3 OH251521 4.016 2.916 2.608 + 1507TIP3 H151522 4.090 2.974 2.582 + 1507TIP3 H251523 4.061 2.849 2.664 + 1507TIP3 OH251524 3.859 3.005 1.928 + 1507TIP3 H151525 3.764 3.021 1.934 + 1507TIP3 H251526 3.896 3.093 1.948 + 1507TIP3 OH251527 3.438 1.677 2.764 + 1507TIP3 H151528 3.347 1.704 2.740 + 1507TIP3 H251529 3.422 1.591 2.807 + 1507TIP3 OH251530 3.410 2.859 2.606 + 1507TIP3 H151531 3.442 2.768 2.608 + 1507TIP3 H251532 3.443 2.889 2.691 + 1507TIP3 OH251533 3.994 2.724 1.309 + 1507TIP3 H151534 4.028 2.648 1.258 + 1507TIP3 H251535 3.957 2.679 1.387 + 1507TIP3 OH251536 3.886 2.667 1.584 + 1507TIP3 H151537 3.934 2.616 1.651 + 1507TIP3 H251538 3.899 2.759 1.614 + 1507TIP3 OH251539 3.566 2.415 1.620 + 1507TIP3 H151540 3.493 2.454 1.672 + 1507TIP3 H251541 3.613 2.496 1.591 + 1507TIP3 OH251542 4.334 1.707 2.671 + 1507TIP3 H151543 4.404 1.642 2.679 + 1507TIP3 H251544 4.267 1.659 2.621 + 1507TIP3 OH251545 4.169 2.834 1.636 + 1507TIP3 H151546 4.089 2.884 1.657 + 1507TIP3 H251547 4.209 2.889 1.567 + 1508TIP3 OH251548 4.147 1.793 1.842 + 1508TIP3 H151549 4.194 1.878 1.856 + 1508TIP3 H251550 4.112 1.782 1.932 + 1508TIP3 OH251551 4.163 1.895 2.760 + 1508TIP3 H151552 4.180 1.947 2.839 + 1508TIP3 H251553 4.234 1.828 2.762 + 1508TIP3 OH251554 4.189 1.500 1.960 + 1508TIP3 H151555 4.169 1.582 2.011 + 1508TIP3 H251556 4.273 1.526 1.917 + 1508TIP3 OH251557 3.894 2.940 1.641 + 1508TIP3 H151558 3.890 3.021 1.587 + 1508TIP3 H251559 3.882 2.975 1.732 + 1508TIP3 OH251560 3.768 1.607 1.590 + 1508TIP3 H151561 3.772 1.688 1.645 + 1508TIP3 H251562 3.853 1.565 1.611 + 1508TIP3 OH251563 3.611 2.696 1.497 + 1508TIP3 H151564 3.684 2.746 1.536 + 1508TIP3 H251565 3.660 2.646 1.429 + 1508TIP3 OH251566 3.424 1.915 1.410 + 1508TIP3 H151567 3.434 2.010 1.431 + 1508TIP3 H251568 3.339 1.914 1.364 + 1508TIP3 OH251569 3.531 1.416 2.286 + 1508TIP3 H151570 3.506 1.419 2.191 + 1508TIP3 H251571 3.487 1.335 2.317 + 1508TIP3 OH251572 3.407 2.769 1.915 + 1508TIP3 H151573 3.327 2.819 1.938 + 1508TIP3 H251574 3.442 2.821 1.841 + 1508TIP3 OH251575 3.343 3.060 3.031 + 1508TIP3 H151576 3.407 3.027 3.097 + 1508TIP3 H251577 3.308 2.975 2.996 + 1509TIP3 OH251578 3.833 2.982 3.198 + 1509TIP3 H151579 3.884 2.904 3.227 + 1509TIP3 H251580 3.798 2.946 3.114 + 1509TIP3 OH251581 4.230 2.888 1.341 + 1509TIP3 H151582 4.147 2.837 1.341 + 1509TIP3 H251583 4.293 2.815 1.326 + 1509TIP3 OH251584 3.339 2.424 3.142 + 1509TIP3 H151585 3.351 2.332 3.110 + 1509TIP3 H251586 3.264 2.452 3.086 + 1509TIP3 OH251587 3.763 2.465 1.342 + 1509TIP3 H151588 3.779 2.405 1.417 + 1509TIP3 H251589 3.848 2.461 1.295 + 1509TIP3 OH251590 3.981 2.444 3.071 + 1509TIP3 H151591 4.008 2.485 2.987 + 1509TIP3 H251592 4.012 2.352 3.059 + 1509TIP3 OH251593 4.262 2.596 1.298 + 1509TIP3 H151594 4.276 2.606 1.393 + 1509TIP3 H251595 4.243 2.501 1.291 + 1509TIP3 OH251596 3.427 2.136 3.058 + 1509TIP3 H151597 3.500 2.072 3.058 + 1509TIP3 H251598 3.422 2.156 3.153 + 1509TIP3 OH251599 3.871 2.270 1.574 + 1509TIP3 H151600 3.808 2.220 1.628 + 1509TIP3 H251601 3.902 2.201 1.512 + 1509TIP3 OH251602 3.795 2.051 2.802 + 1509TIP3 H151603 3.739 2.128 2.822 + 1509TIP3 H251604 3.850 2.086 2.731 + 1509TIP3 OH251605 3.979 2.071 1.404 + 1509TIP3 H151606 3.969 2.078 1.307 + 1509TIP3 H251607 4.075 2.085 1.414 + 1510TIP3 OH251608 4.275 2.298 3.176 + 1510TIP3 H151609 4.350 2.279 3.119 + 1510TIP3 H251610 4.268 2.215 3.226 + 1510TIP3 OH251611 3.858 1.780 2.917 + 1510TIP3 H151612 3.862 1.714 2.845 + 1510TIP3 H251613 3.838 1.862 2.868 + 1510TIP3 OH251614 3.887 1.621 2.657 + 1510TIP3 H151615 3.936 1.683 2.599 + 1510TIP3 H251616 3.795 1.625 2.622 + 1510TIP3 OH251617 4.073 2.171 2.694 + 1510TIP3 H151618 4.134 2.167 2.619 + 1510TIP3 H251619 4.025 2.253 2.675 + 1510TIP3 OH251620 3.674 1.961 3.097 + 1510TIP3 H151621 3.620 1.880 3.094 + 1510TIP3 H251622 3.754 1.933 3.049 + 1510TIP3 OH251623 3.973 1.361 2.693 + 1510TIP3 H151624 3.948 1.455 2.678 + 1510TIP3 H251625 3.904 1.316 2.641 + 1510TIP3 OH251626 4.106 1.805 3.071 + 1510TIP3 H151627 4.064 1.783 3.156 + 1510TIP3 H251628 4.032 1.786 3.010 + 1510TIP3 OH251629 3.539 1.708 3.076 + 1510TIP3 H151630 3.530 1.637 3.011 + 1510TIP3 H251631 3.518 1.661 3.160 + 1510TIP3 OH251632 3.944 1.308 2.979 + 1510TIP3 H151633 4.004 1.232 2.983 + 1510TIP3 H251634 3.941 1.324 2.883 + 1510TIP3 OH251635 4.036 1.488 3.172 + 1510TIP3 H151636 4.005 1.433 3.097 + 1510TIP3 H251637 3.973 1.562 3.170 + 1511TIP3 OH251638 3.956 3.194 1.513 + 1511TIP3 H151639 4.052 3.202 1.520 + 1511TIP3 H251640 3.940 3.243 1.431 + 1511TIP3 OH251641 3.334 2.637 1.465 + 1511TIP3 H151642 3.430 2.655 1.478 + 1511TIP3 H251643 3.336 2.558 1.407 + 1511TIP3 OH251644 3.233 3.157 1.938 + 1511TIP3 H151645 3.162 3.119 1.882 + 1511TIP3 H251646 3.244 3.088 2.006 + 1511TIP3 OH251647 3.272 2.959 2.135 + 1511TIP3 H151648 3.244 2.871 2.167 + 1511TIP3 H251649 3.302 2.997 2.219 + 1511TIP3 OH251650 3.280 2.292 2.376 + 1511TIP3 H151651 3.306 2.298 2.283 + 1511TIP3 H251652 3.367 2.271 2.417 + 1511TIP3 OH251653 3.273 1.828 3.014 + 1511TIP3 H151654 3.366 1.801 3.022 + 1511TIP3 H251655 3.227 1.742 3.024 + 1511TIP3 OH251656 3.351 1.658 2.296 + 1511TIP3 H151657 3.399 1.575 2.307 + 1511TIP3 H251658 3.415 1.722 2.332 + 1511TIP3 OH251659 3.205 1.927 2.403 + 1511TIP3 H151660 3.260 1.928 2.323 + 1511TIP3 H251661 3.238 2.005 2.449 + 1511TIP3 OH251662 3.252 1.563 1.808 + 1511TIP3 H151663 3.157 1.567 1.788 + 1511TIP3 H251664 3.292 1.623 1.742 + 1511TIP3 OH251665 3.255 1.448 2.621 + 1511TIP3 H151666 3.185 1.425 2.683 + 1511TIP3 H251667 3.207 1.505 2.559 + 1512TIP3 OH251668 3.452 2.777 3.093 + 1512TIP3 H151669 3.391 2.754 3.022 + 1512TIP3 H251670 3.406 2.745 3.172 + 1512TIP3 OH251671 3.736 2.870 2.648 + 1512TIP3 H151672 3.716 2.960 2.623 + 1512TIP3 H251673 3.834 2.870 2.641 + 1512TIP3 OH251674 4.195 3.034 2.949 + 1512TIP3 H151675 4.173 2.947 2.984 + 1512TIP3 H251676 4.288 3.021 2.927 + 1512TIP3 OH251677 3.486 3.170 2.688 + 1512TIP3 H151678 3.413 3.217 2.644 + 1512TIP3 H251679 3.445 3.150 2.773 + 1512TIP3 OH251680 3.737 3.200 2.530 + 1512TIP3 H151681 3.661 3.164 2.580 + 1512TIP3 H251682 3.697 3.212 2.443 + 1512TIP3 OH251683 4.189 3.122 2.502 + 1512TIP3 H151684 4.180 3.171 2.419 + 1512TIP3 H251685 4.266 3.164 2.542 + 1512TIP3 OH251686 3.448 3.046 2.390 + 1512TIP3 H151687 3.436 2.989 2.469 + 1512TIP3 H251688 3.510 2.992 2.338 + 1512TIP3 OH251689 3.635 2.906 2.237 + 1512TIP3 H151690 3.622 2.812 2.261 + 1512TIP3 H251691 3.728 2.918 2.263 + 1512TIP3 OH251692 3.910 2.959 2.325 + 1512TIP3 H151693 3.934 2.870 2.293 + 1512TIP3 H251694 3.932 2.949 2.419 + 1512TIP3 OH251695 4.250 1.463 2.264 + 1512TIP3 H151696 4.165 1.507 2.258 + 1512TIP3 H251697 4.297 1.504 2.190 + 1513TIP3 OH251698 3.481 1.416 2.005 + 1513TIP3 H151699 3.395 1.405 1.960 + 1513TIP3 H251700 3.521 1.328 1.990 + 1513TIP3 OH251701 3.367 1.363 1.595 + 1513TIP3 H151702 3.413 1.430 1.540 + 1513TIP3 H251703 3.319 1.418 1.658 + 1513TIP3 OH251704 3.942 1.381 2.012 + 1513TIP3 H151705 4.019 1.439 1.997 + 1513TIP3 H251706 3.910 1.411 2.098 + 1513TIP3 OH251707 3.381 2.961 1.709 + 1513TIP3 H151708 3.317 2.947 1.637 + 1513TIP3 H251709 3.378 3.057 1.716 + 1513TIP3 OH251710 3.532 1.545 1.435 + 1513TIP3 H151711 3.593 1.492 1.382 + 1513TIP3 H251712 3.592 1.580 1.504 + 1513TIP3 OH251713 4.061 1.565 1.694 + 1513TIP3 H151714 4.069 1.510 1.773 + 1513TIP3 H251715 4.060 1.654 1.733 + 1513TIP3 OH251716 4.265 3.123 1.518 + 1513TIP3 H151717 4.351 3.162 1.498 + 1513TIP3 H251718 4.248 3.066 1.441 + 1513TIP3 OH251719 3.461 1.439 2.955 + 1513TIP3 H151720 3.420 1.359 2.992 + 1513TIP3 H251721 3.553 1.427 2.984 + 1513TIP3 OH251722 3.699 1.377 3.130 + 1513TIP3 H151723 3.781 1.341 3.092 + 1513TIP3 H251724 3.662 1.298 3.173 + 1513TIP3 OH251725 3.523 3.055 1.387 + 1513TIP3 H151726 3.500 3.083 1.477 + 1513TIP3 H251727 3.600 2.998 1.402 + 1514TIP3 OH251728 -3.159 4.202 2.012 + 1514TIP3 H151729 -3.187 4.295 2.013 + 1514TIP3 H251730 -3.233 4.162 1.965 + 1514TIP3 OH251731 -3.280 4.133 2.340 + 1514TIP3 H151732 -3.275 4.080 2.421 + 1514TIP3 H251733 -3.304 4.068 2.273 + 1514TIP3 OH251734 -4.021 4.075 2.497 + 1514TIP3 H151735 -4.034 4.008 2.566 + 1514TIP3 H251736 -3.970 4.140 2.546 + 1514TIP3 OH251737 -4.212 3.903 1.785 + 1514TIP3 H151738 -4.245 3.988 1.817 + 1514TIP3 H251739 -4.293 3.854 1.770 + 1514TIP3 OH251740 -4.194 4.120 2.052 + 1514TIP3 H151741 -4.195 4.057 2.125 + 1514TIP3 H251742 -4.100 4.143 2.051 + 1514TIP3 OH251743 -2.559 3.521 2.458 + 1514TIP3 H151744 -2.536 3.584 2.528 + 1514TIP3 H251745 -2.500 3.551 2.387 + 1514TIP3 OH251746 -3.095 3.803 2.445 + 1514TIP3 H151747 -3.084 3.706 2.449 + 1514TIP3 H251748 -3.103 3.817 2.350 + 1514TIP3 OH251749 -3.796 3.605 2.151 + 1514TIP3 H151750 -3.784 3.692 2.108 + 1514TIP3 H251751 -3.836 3.554 2.078 + 1514TIP3 OH251752 -3.030 3.597 1.961 + 1514TIP3 H151753 -2.966 3.569 2.029 + 1514TIP3 H251754 -2.976 3.654 1.904 + 1514TIP3 OH251755 -4.145 3.874 2.203 + 1514TIP3 H151756 -4.080 3.843 2.269 + 1514TIP3 H251757 -4.117 3.822 2.125 + 1515TIP3 OH251758 -3.587 4.017 2.148 + 1515TIP3 H151759 -3.520 3.959 2.189 + 1515TIP3 H251760 -3.645 3.953 2.104 + 1515TIP3 OH251761 -2.487 3.659 2.706 + 1515TIP3 H151762 -2.544 3.732 2.676 + 1515TIP3 H251763 -2.507 3.658 2.801 + 1515TIP3 OH251764 -3.919 3.485 2.568 + 1515TIP3 H151765 -3.960 3.537 2.497 + 1515TIP3 H251766 -3.981 3.503 2.642 + 1515TIP3 OH251767 -3.647 4.266 2.546 + 1515TIP3 H151768 -3.728 4.317 2.556 + 1515TIP3 H251769 -3.582 4.338 2.539 + 1515TIP3 OH251770 -2.839 3.544 2.183 + 1515TIP3 H151771 -2.881 3.494 2.254 + 1515TIP3 H251772 -2.786 3.609 2.233 + 1515TIP3 OH251773 -3.959 3.689 2.362 + 1515TIP3 H151774 -3.897 3.748 2.410 + 1515TIP3 H251775 -3.899 3.654 2.292 + 1515TIP3 OH251776 -2.819 3.456 2.570 + 1515TIP3 H151777 -2.895 3.501 2.530 + 1515TIP3 H251778 -2.746 3.481 2.510 + 1515TIP3 OH251779 -3.503 3.233 2.276 + 1515TIP3 H151780 -3.530 3.139 2.273 + 1515TIP3 H251781 -3.585 3.274 2.313 + 1515TIP3 OH251782 -3.308 4.143 1.751 + 1515TIP3 H151783 -3.372 4.179 1.688 + 1515TIP3 H251784 -3.229 4.135 1.694 + 1515TIP3 OH251785 -3.269 3.941 1.471 + 1515TIP3 H151786 -3.197 3.980 1.524 + 1515TIP3 H251787 -3.216 3.890 1.407 + 1516TIP3 OH251788 -2.555 4.055 2.576 + 1516TIP3 H151789 -2.620 4.127 2.589 + 1516TIP3 H251790 -2.504 4.094 2.502 + 1516TIP3 OH251791 -2.937 4.139 1.852 + 1516TIP3 H151792 -3.001 4.162 1.922 + 1516TIP3 H251793 -2.869 4.090 1.901 + 1516TIP3 OH251794 -2.963 3.980 2.744 + 1516TIP3 H151795 -2.960 4.056 2.805 + 1516TIP3 H251796 -3.018 4.018 2.674 + 1516TIP3 OH251797 -3.771 4.217 2.042 + 1516TIP3 H151798 -3.799 4.183 1.955 + 1516TIP3 H251799 -3.701 4.154 2.067 + 1516TIP3 OH251800 -3.729 4.073 2.380 + 1516TIP3 H151801 -3.667 4.079 2.305 + 1516TIP3 H251802 -3.697 4.144 2.440 + 1516TIP3 OH251803 -3.058 4.080 1.614 + 1516TIP3 H151804 -2.999 4.102 1.689 + 1516TIP3 H251805 -3.007 4.122 1.539 + 1516TIP3 OH251806 -3.950 4.150 2.778 + 1516TIP3 H151807 -3.949 4.205 2.859 + 1516TIP3 H251808 -4.046 4.142 2.766 + 1516TIP3 OH251809 -2.725 3.255 1.546 + 1516TIP3 H151810 -2.794 3.262 1.613 + 1516TIP3 H251811 -2.677 3.338 1.558 + 1516TIP3 OH251812 -3.894 4.085 1.794 + 1516TIP3 H151813 -3.911 4.164 1.740 + 1516TIP3 H251814 -3.964 4.025 1.764 + 1516TIP3 OH251815 -4.221 4.264 2.669 + 1516TIP3 H151816 -4.257 4.320 2.599 + 1516TIP3 H251817 -4.287 4.268 2.739 + 1517TIP3 OH251818 -2.763 3.838 2.978 + 1517TIP3 H151819 -2.815 3.875 2.906 + 1517TIP3 H251820 -2.759 3.744 2.951 + 1517TIP3 OH251821 -3.748 3.348 2.365 + 1517TIP3 H151822 -3.833 3.340 2.319 + 1517TIP3 H251823 -3.768 3.421 2.426 + 1517TIP3 OH251824 -3.311 3.303 2.729 + 1517TIP3 H151825 -3.260 3.254 2.797 + 1517TIP3 H251826 -3.403 3.275 2.746 + 1517TIP3 OH251827 -2.994 3.685 2.783 + 1517TIP3 H151828 -3.055 3.670 2.859 + 1517TIP3 H251829 -3.002 3.781 2.767 + 1517TIP3 OH251830 -2.910 4.175 1.410 + 1517TIP3 H151831 -2.914 4.159 1.314 + 1517TIP3 H251832 -2.822 4.219 1.413 + 1517TIP3 OH251833 -3.332 3.544 1.459 + 1517TIP3 H151834 -3.398 3.563 1.527 + 1517TIP3 H251835 -3.383 3.493 1.395 + 1517TIP3 OH251836 -3.762 3.826 2.512 + 1517TIP3 H151837 -3.826 3.837 2.585 + 1517TIP3 H251838 -3.757 3.917 2.474 + 1517TIP3 OH251839 -3.770 3.832 1.997 + 1517TIP3 H151840 -3.866 3.831 1.979 + 1517TIP3 H251841 -3.735 3.819 1.907 + 1517TIP3 OH251842 -3.208 3.897 1.875 + 1517TIP3 H151843 -3.251 3.976 1.838 + 1517TIP3 H251844 -3.137 3.881 1.810 + 1517TIP3 OH251845 -3.286 3.920 3.016 + 1517TIP3 H151846 -3.337 3.844 3.050 + 1517TIP3 H251847 -3.198 3.905 3.055 + 1518TIP3 OH251848 -3.119 3.819 2.146 + 1518TIP3 H151849 -3.147 3.878 2.073 + 1518TIP3 H251850 -3.103 3.737 2.096 + 1518TIP3 OH251851 -4.007 3.834 2.688 + 1518TIP3 H151852 -4.029 3.895 2.761 + 1518TIP3 H251853 -4.047 3.752 2.721 + 1518TIP3 OH251854 -3.685 3.598 1.353 + 1518TIP3 H151855 -3.731 3.562 1.431 + 1518TIP3 H251856 -3.759 3.623 1.296 + 1518TIP3 OH251857 -4.326 3.602 2.060 + 1518TIP3 H151858 -4.296 3.584 2.152 + 1518TIP3 H251859 -4.279 3.536 2.010 + 1518TIP3 OH251860 -4.207 3.642 1.638 + 1518TIP3 H151861 -4.148 3.674 1.567 + 1518TIP3 H251862 -4.291 3.683 1.612 + 1518TIP3 OH251863 -3.225 3.997 2.595 + 1518TIP3 H151864 -3.170 3.930 2.548 + 1518TIP3 H251865 -3.252 3.947 2.673 + 1518TIP3 OH251866 -3.502 3.590 2.089 + 1518TIP3 H151867 -3.593 3.594 2.125 + 1518TIP3 H251868 -3.449 3.576 2.170 + 1518TIP3 OH251869 -4.043 3.719 1.964 + 1518TIP3 H151870 -4.113 3.741 1.900 + 1518TIP3 H251871 -4.007 3.637 1.927 + 1518TIP3 OH251872 -3.664 3.739 1.726 + 1518TIP3 H151873 -3.571 3.764 1.742 + 1518TIP3 H251874 -3.696 3.807 1.664 + 1518TIP3 OH251875 -3.057 3.501 2.397 + 1518TIP3 H151876 -3.117 3.505 2.474 + 1518TIP3 H251877 -3.121 3.477 2.327 + 1519TIP3 OH251878 -3.823 3.872 1.514 + 1519TIP3 H151879 -3.883 3.845 1.443 + 1519TIP3 H251880 -3.743 3.896 1.464 + 1519TIP3 OH251881 -3.963 4.308 2.999 + 1519TIP3 H151882 -3.898 4.357 3.054 + 1519TIP3 H251883 -4.040 4.306 3.059 + 1519TIP3 OH251884 -3.387 3.845 2.277 + 1519TIP3 H151885 -3.310 3.803 2.236 + 1519TIP3 H251886 -3.401 3.789 2.356 + 1519TIP3 OH251887 -3.872 3.483 1.910 + 1519TIP3 H151888 -3.922 3.400 1.911 + 1519TIP3 H251889 -3.798 3.463 1.853 + 1519TIP3 OH251890 -3.491 3.695 2.506 + 1519TIP3 H151891 -3.569 3.753 2.507 + 1519TIP3 H251892 -3.442 3.723 2.586 + 1519TIP3 OH251893 -3.530 4.365 1.728 + 1519TIP3 H151894 -3.557 4.302 1.658 + 1519TIP3 H251895 -3.463 4.319 1.779 + 1519TIP3 OH251896 -2.730 4.266 2.564 + 1519TIP3 H151897 -2.705 4.312 2.481 + 1519TIP3 H251898 -2.826 4.256 2.545 + 1519TIP3 OH251899 -3.078 3.558 1.541 + 1519TIP3 H151900 -3.163 3.587 1.502 + 1519TIP3 H251901 -3.040 3.644 1.569 + 1519TIP3 OH251902 -2.988 3.802 1.684 + 1519TIP3 H151903 -2.898 3.789 1.719 + 1519TIP3 H251904 -2.977 3.883 1.631 + 1519TIP3 OH251905 -3.974 4.214 2.227 + 1519TIP3 H151906 -3.886 4.233 2.188 + 1519TIP3 H251907 -3.950 4.167 2.309 + 1520TIP3 OH251908 -4.207 4.017 2.811 + 1520TIP3 H151909 -4.232 4.053 2.898 + 1520TIP3 H251910 -4.280 4.050 2.756 + 1520TIP3 OH251911 -3.541 4.051 3.007 + 1520TIP3 H151912 -3.580 4.026 2.921 + 1520TIP3 H251913 -3.447 4.028 2.993 + 1520TIP3 OH251914 -2.537 3.800 1.654 + 1520TIP3 H151915 -2.591 3.787 1.573 + 1520TIP3 H251916 -2.521 3.897 1.642 + 1520TIP3 OH251917 -2.989 4.180 2.432 + 1520TIP3 H151918 -3.080 4.183 2.398 + 1520TIP3 H251919 -2.941 4.135 2.361 + 1520TIP3 OH251920 -4.158 4.098 1.477 + 1520TIP3 H151921 -4.084 4.149 1.514 + 1520TIP3 H251922 -4.230 4.162 1.492 + 1520TIP3 OH251923 -4.104 3.565 2.763 + 1520TIP3 H151924 -4.185 3.618 2.769 + 1520TIP3 H251925 -4.124 3.485 2.815 + 1520TIP3 OH251926 -3.959 -4.393 1.638 + 1520TIP3 H151927 -4.051 -4.358 1.644 + 1520TIP3 H251928 -3.911 -4.312 1.616 + 1520TIP3 OH251929 -3.207 3.545 2.618 + 1520TIP3 H151930 -3.150 3.579 2.690 + 1520TIP3 H251931 -3.259 3.476 2.663 + 1520TIP3 OH251932 -3.397 3.687 1.839 + 1520TIP3 H151933 -3.323 3.750 1.856 + 1520TIP3 H251934 -3.425 3.666 1.930 + 1520TIP3 OH251935 -3.364 3.789 2.759 + 1520TIP3 H151936 -3.364 3.841 2.841 + 1520TIP3 H251937 -3.315 3.711 2.786 + 1521TIP3 OH251938 -3.778 3.495 1.597 + 1521TIP3 H151939 -3.764 3.579 1.646 + 1521TIP3 H251940 -3.697 3.446 1.614 + 1521TIP3 OH251941 -2.741 3.583 2.846 + 1521TIP3 H151942 -2.837 3.597 2.831 + 1521TIP3 H251943 -2.714 3.565 2.755 + 1521TIP3 OH251944 -2.889 3.966 2.242 + 1521TIP3 H151945 -2.971 3.919 2.220 + 1521TIP3 H251946 -2.841 3.899 2.295 + 1521TIP3 OH251947 -4.115 3.797 1.414 + 1521TIP3 H151948 -4.109 3.892 1.433 + 1521TIP3 H251949 -4.195 3.788 1.361 + 1521TIP3 OH251950 -4.022 3.292 2.282 + 1521TIP3 H151951 -4.060 3.295 2.192 + 1521TIP3 H251952 -4.068 3.216 2.321 + 1521TIP3 OH251953 -4.214 4.329 3.124 + 1521TIP3 H151954 -4.223 4.234 3.107 + 1521TIP3 H251955 -4.307 4.352 3.103 + 1521TIP3 OH251956 -3.585 4.329 3.045 + 1521TIP3 H151957 -3.585 4.345 2.948 + 1521TIP3 H251958 -3.552 4.237 3.049 + 1521TIP3 OH251959 -2.985 -4.376 2.819 + 1521TIP3 H151960 -2.906 -4.332 2.785 + 1521TIP3 H251961 -3.053 -4.311 2.800 + 1521TIP3 OH251962 -4.124 4.039 3.078 + 1521TIP3 H151963 -4.055 3.971 3.065 + 1521TIP3 H251964 -4.138 4.040 3.173 + 1521TIP3 OH251965 -3.661 4.161 1.570 + 1521TIP3 H151966 -3.727 4.121 1.628 + 1521TIP3 H251967 -3.647 4.091 1.503 + 1522TIP3 OH251968 -3.740 3.935 2.810 + 1522TIP3 H151969 -3.807 4.005 2.822 + 1522TIP3 H251970 -3.685 3.972 2.739 + 1522TIP3 OH251971 -3.578 3.954 1.397 + 1522TIP3 H151972 -3.580 3.973 1.301 + 1522TIP3 H251973 -3.483 3.958 1.415 + 1522TIP3 OH251974 -3.218 4.216 3.157 + 1522TIP3 H151975 -3.131 4.195 3.123 + 1522TIP3 H251976 -3.252 4.131 3.185 + 1522TIP3 OH251977 -2.663 4.219 1.301 + 1522TIP3 H151978 -2.601 4.172 1.244 + 1522TIP3 H251979 -2.613 4.298 1.327 + 1522TIP3 OH251980 -3.690 3.663 2.915 + 1522TIP3 H151981 -3.684 3.599 2.842 + 1522TIP3 H251982 -3.713 3.745 2.867 + 1522TIP3 OH251983 -3.655 3.507 2.657 + 1522TIP3 H151984 -3.605 3.565 2.596 + 1522TIP3 H251985 -3.748 3.515 2.625 + 1522TIP3 OH251986 -3.504 4.067 2.690 + 1522TIP3 H151987 -3.420 4.057 2.642 + 1522TIP3 H251988 -3.542 4.148 2.650 + 1522TIP3 OH251989 -3.043 3.849 3.175 + 1522TIP3 H151990 -3.023 3.756 3.195 + 1522TIP3 H251991 -2.954 3.887 3.174 + 1522TIP3 OH251992 -2.947 4.136 3.013 + 1522TIP3 H151993 -2.971 4.208 2.950 + 1522TIP3 H251994 -2.856 4.118 2.984 + 1522TIP3 OH251995 -3.874 3.849 3.102 + 1522TIP3 H151996 -3.929 3.769 3.091 + 1522TIP3 H251997 -3.796 3.826 3.049 + 1523TIP3 OH251998 -3.584 3.241 2.692 + 1523TIP3 H151999 -3.601 3.336 2.677 + 1523TIP3 H252000 -3.659 3.202 2.642 + 1523TIP3 OH252001 -3.457 3.700 3.073 + 1523TIP3 H152002 -3.491 3.681 3.162 + 1523TIP3 H252003 -3.537 3.682 3.020 + 1523TIP3 OH252004 -3.207 3.603 2.959 + 1523TIP3 H152005 -3.294 3.613 3.003 + 1523TIP3 H252006 -3.160 3.544 3.020 + 1523TIP3 OH252007 -3.021 3.453 3.132 + 1523TIP3 H152008 -3.037 3.358 3.151 + 1523TIP3 H252009 -3.038 3.496 3.218 + 1523TIP3 OH252010 -4.014 3.599 3.078 + 1523TIP3 H152011 -4.018 3.527 3.013 + 1523TIP3 H252012 -4.033 3.551 3.161 + 1523TIP3 OH252013 -3.603 3.192 2.977 + 1523TIP3 H152014 -3.543 3.116 2.983 + 1523TIP3 H252015 -3.604 3.208 2.880 + 1523TIP3 OH252016 -3.506 3.378 3.161 + 1523TIP3 H152017 -3.541 3.319 3.091 + 1523TIP3 H252018 -3.573 3.448 3.166 + 1523TIP3 OH252019 -2.567 4.364 1.761 + 1523TIP3 H152020 -2.474 4.361 1.731 + 1523TIP3 H252021 -2.581 4.274 1.796 + 1523TIP3 OH252022 -2.529 4.130 1.926 + 1523TIP3 H152023 -2.608 4.088 1.965 + 1523TIP3 H252024 -2.474 4.152 2.003 + 1523TIP3 OH252025 -2.514 4.075 1.592 + 1523TIP3 H152026 -2.527 4.104 1.500 + 1523TIP3 H252027 -2.484 4.156 1.633 + 1524TIP3 OH252028 -2.686 3.842 1.410 + 1524TIP3 H152029 -2.663 3.909 1.344 + 1524TIP3 H252030 -2.707 3.764 1.355 + 1524TIP3 OH252031 -2.759 3.964 1.998 + 1524TIP3 H152032 -2.760 3.868 1.985 + 1524TIP3 H252033 -2.794 3.972 2.089 + 1524TIP3 OH252034 -4.246 4.217 2.382 + 1524TIP3 H152035 -4.229 4.177 2.296 + 1524TIP3 H252036 -4.182 4.171 2.440 + 1524TIP3 OH252037 -2.671 4.160 2.919 + 1524TIP3 H152038 -2.599 4.101 2.948 + 1524TIP3 H252039 -2.627 4.244 2.897 + 1524TIP3 OH252040 -2.529 3.965 3.037 + 1524TIP3 H152041 -2.610 3.913 3.019 + 1524TIP3 H252042 -2.461 3.896 3.041 + 1524TIP3 OH252043 -2.741 3.576 1.330 + 1524TIP3 H152044 -2.682 3.527 1.390 + 1524TIP3 H252045 -2.819 3.520 1.322 + 1524TIP3 OH252046 -2.754 3.703 1.826 + 1524TIP3 H152047 -2.731 3.608 1.828 + 1524TIP3 H252048 -2.674 3.741 1.785 + 1524TIP3 OH252049 -2.737 3.765 2.367 + 1524TIP3 H152050 -2.641 3.779 2.364 + 1524TIP3 H252051 -2.752 3.773 2.463 + 1524TIP3 OH252052 -2.720 3.837 2.649 + 1524TIP3 H152053 -2.806 3.876 2.675 + 1524TIP3 H252054 -2.669 3.917 2.626 + 1524TIP3 OH252055 -4.296 3.699 2.976 + 1524TIP3 H152056 -4.208 3.688 3.015 + 1524TIP3 H252057 -4.356 3.654 3.037 + 1525TIP3 OH252058 -2.463 3.253 3.179 + 1525TIP3 H152059 -2.422 3.184 3.124 + 1525TIP3 H252060 -2.461 3.330 3.120 + 1525TIP3 OH252061 -2.734 3.405 1.816 + 1525TIP3 H152062 -2.703 3.390 1.908 + 1525TIP3 H252063 -2.814 3.352 1.816 + 1525TIP3 OH252064 -4.194 3.552 2.310 + 1525TIP3 H152065 -4.158 3.464 2.326 + 1525TIP3 H252066 -4.123 3.609 2.345 + 1525TIP3 OH252067 -4.333 3.807 2.403 + 1525TIP3 H152068 -4.280 3.780 2.327 + 1525TIP3 H252069 -4.324 3.903 2.400 + 1525TIP3 OH252070 -2.526 3.458 3.003 + 1525TIP3 H152071 -2.613 3.500 3.011 + 1525TIP3 H252072 -2.539 3.403 2.923 + 1525TIP3 OH252073 -2.522 3.467 1.493 + 1525TIP3 H152074 -2.484 3.393 1.442 + 1525TIP3 H252075 -2.446 3.527 1.502 + 1525TIP3 OH252076 -4.317 3.429 1.764 + 1525TIP3 H152077 -4.401 3.459 1.726 + 1525TIP3 H252078 -4.257 3.500 1.729 + 1525TIP3 OH252079 -4.294 3.322 2.595 + 1525TIP3 H152080 -4.359 3.319 2.669 + 1525TIP3 H252081 -4.337 3.377 2.527 + 1525TIP3 OH252082 -2.641 3.280 2.801 + 1525TIP3 H152083 -2.720 3.303 2.749 + 1525TIP3 H252084 -2.619 3.191 2.767 + 1525TIP3 OH252085 -3.289 3.428 2.234 + 1525TIP3 H152086 -3.359 3.362 2.250 + 1525TIP3 H252087 -3.224 3.379 2.180 + 1526TIP3 OH252088 -2.799 3.228 2.290 + 1526TIP3 H152089 -2.723 3.278 2.256 + 1526TIP3 H252090 -2.872 3.270 2.243 + 1526TIP3 OH252091 -2.602 3.346 2.067 + 1526TIP3 H152092 -2.525 3.303 2.026 + 1526TIP3 H252093 -2.566 3.436 2.084 + 1526TIP3 OH252094 -4.104 3.288 1.999 + 1526TIP3 H152095 -4.180 3.261 1.946 + 1526TIP3 H252096 -4.047 3.210 1.992 + 1526TIP3 OH252097 -4.181 3.249 1.584 + 1526TIP3 H152098 -4.131 3.316 1.533 + 1526TIP3 H252099 -4.234 3.306 1.642 + 1526TIP3 OH252100 -3.594 3.284 1.986 + 1526TIP3 H152101 -3.514 3.336 2.002 + 1526TIP3 H252102 -3.627 3.277 2.076 + 1526TIP3 OH252103 -3.064 3.283 2.124 + 1526TIP3 H152104 -3.020 3.260 2.041 + 1526TIP3 H252105 -3.092 3.196 2.157 + 1526TIP3 OH252106 -4.006 3.435 1.438 + 1526TIP3 H152107 -3.948 3.379 1.384 + 1526TIP3 H252108 -3.945 3.466 1.507 + 1526TIP3 OH252109 -3.438 3.431 1.715 + 1526TIP3 H152110 -3.491 3.381 1.779 + 1526TIP3 H252111 -3.465 3.522 1.736 + 1526TIP3 OH252112 -4.080 3.326 2.953 + 1526TIP3 H152113 -4.125 3.250 2.994 + 1526TIP3 H252114 -3.989 3.313 2.985 + 1526TIP3 OH252115 -3.845 3.263 3.129 + 1526TIP3 H152116 -3.763 3.227 3.091 + 1526TIP3 H252117 -3.879 3.185 3.176 + 1527TIP3 OH252118 -3.032 3.171 3.143 + 1527TIP3 H152119 -3.030 3.131 3.232 + 1527TIP3 H252120 -2.937 3.172 3.120 + 1527TIP3 OH252121 -1.273 4.205 2.011 + 1527TIP3 H152122 -1.305 4.296 2.008 + 1527TIP3 H252123 -1.346 4.159 1.967 + 1527TIP3 OH252124 -1.390 4.133 2.339 + 1527TIP3 H152125 -1.389 4.079 2.419 + 1527TIP3 H252126 -1.418 4.069 2.272 + 1527TIP3 OH252127 -2.148 4.081 2.499 + 1527TIP3 H152128 -2.149 4.008 2.563 + 1527TIP3 H252129 -2.075 4.134 2.533 + 1527TIP3 OH252130 -2.381 3.883 1.896 + 1527TIP3 H152131 -2.419 3.973 1.898 + 1527TIP3 H252132 -2.448 3.836 1.846 + 1527TIP3 OH252133 -2.283 4.135 2.083 + 1527TIP3 H152134 -2.283 4.052 2.135 + 1527TIP3 H252135 -2.207 4.118 2.026 + 1527TIP3 OH252136 -0.675 3.523 2.458 + 1527TIP3 H152137 -0.648 3.584 2.529 + 1527TIP3 H252138 -0.614 3.549 2.387 + 1527TIP3 OH252139 -1.209 3.802 2.447 + 1527TIP3 H152140 -1.196 3.705 2.446 + 1527TIP3 H252141 -1.219 3.820 2.352 + 1527TIP3 OH252142 -1.914 3.605 2.154 + 1527TIP3 H152143 -1.899 3.690 2.108 + 1527TIP3 H252144 -1.948 3.552 2.079 + 1527TIP3 OH252145 -1.128 3.624 1.985 + 1527TIP3 H152146 -1.070 3.580 2.050 + 1527TIP3 H252147 -1.063 3.667 1.928 + 1528TIP3 OH252148 -2.247 3.876 2.204 + 1528TIP3 H152149 -2.182 3.830 2.259 + 1528TIP3 H252150 -2.237 3.829 2.119 + 1528TIP3 OH252151 -1.703 4.019 2.151 + 1528TIP3 H152152 -1.636 3.960 2.191 + 1528TIP3 H252153 -1.758 3.955 2.101 + 1528TIP3 OH252154 -0.602 3.659 2.707 + 1528TIP3 H152155 -0.661 3.731 2.678 + 1528TIP3 H252156 -0.620 3.657 2.802 + 1528TIP3 OH252157 -2.034 3.484 2.568 + 1528TIP3 H152158 -2.074 3.535 2.496 + 1528TIP3 H252159 -2.100 3.500 2.639 + 1528TIP3 OH252160 -1.762 4.266 2.547 + 1528TIP3 H152161 -1.844 4.319 2.550 + 1528TIP3 H252162 -1.697 4.338 2.536 + 1528TIP3 OH252163 -0.946 3.548 2.187 + 1528TIP3 H152164 -0.981 3.483 2.249 + 1528TIP3 H252165 -0.894 3.606 2.245 + 1528TIP3 OH252166 -2.073 3.689 2.363 + 1528TIP3 H152167 -2.009 3.747 2.409 + 1528TIP3 H252168 -2.016 3.653 2.291 + 1528TIP3 OH252169 -0.936 3.472 2.573 + 1528TIP3 H152170 -1.013 3.499 2.518 + 1528TIP3 H252171 -0.862 3.482 2.511 + 1528TIP3 OH252172 -1.619 3.234 2.278 + 1528TIP3 H152173 -1.641 3.139 2.270 + 1528TIP3 H252174 -1.702 3.270 2.314 + 1528TIP3 OH252175 -1.423 4.145 1.751 + 1528TIP3 H152176 -1.488 4.179 1.689 + 1528TIP3 H252177 -1.346 4.134 1.692 + 1529TIP3 OH252178 -1.381 3.942 1.469 + 1529TIP3 H152179 -1.307 3.979 1.522 + 1529TIP3 H252180 -1.332 3.891 1.403 + 1529TIP3 OH252181 -0.669 4.056 2.576 + 1529TIP3 H152182 -0.737 4.127 2.585 + 1529TIP3 H252183 -0.618 4.092 2.500 + 1529TIP3 OH252184 -1.049 4.142 1.853 + 1529TIP3 H152185 -1.117 4.162 1.921 + 1529TIP3 H252186 -0.985 4.089 1.903 + 1529TIP3 OH252187 -1.077 3.969 2.748 + 1529TIP3 H152188 -1.076 4.045 2.809 + 1529TIP3 H252189 -1.134 4.005 2.677 + 1529TIP3 OH252190 -1.900 4.207 2.047 + 1529TIP3 H152191 -1.919 4.182 1.955 + 1529TIP3 H252192 -1.820 4.154 2.066 + 1529TIP3 OH252193 -1.842 4.065 2.389 + 1529TIP3 H152194 -1.788 4.073 2.308 + 1529TIP3 H252195 -1.812 4.142 2.442 + 1529TIP3 OH252196 -1.169 4.074 1.616 + 1529TIP3 H152197 -1.112 4.101 1.691 + 1529TIP3 H252198 -1.123 4.119 1.541 + 1529TIP3 OH252199 -2.058 4.145 2.773 + 1529TIP3 H152200 -2.046 4.209 2.847 + 1529TIP3 H252201 -2.155 4.139 2.771 + 1529TIP3 OH252202 -0.820 3.247 1.558 + 1529TIP3 H152203 -0.908 3.255 1.599 + 1529TIP3 H252204 -0.785 3.337 1.565 + 1529TIP3 OH252205 -2.008 4.078 1.802 + 1529TIP3 H152206 -2.025 4.160 1.749 + 1529TIP3 H252207 -2.068 4.016 1.759 + 1530TIP3 OH252208 -2.412 4.309 2.675 + 1530TIP3 H152209 -2.413 4.292 2.580 + 1530TIP3 H252210 -2.380 4.224 2.711 + 1530TIP3 OH252211 -0.891 3.833 2.982 + 1530TIP3 H152212 -0.925 3.876 2.902 + 1530TIP3 H252213 -0.875 3.742 2.950 + 1530TIP3 OH252214 -1.862 3.348 2.369 + 1530TIP3 H152215 -1.943 3.342 2.316 + 1530TIP3 H252216 -1.886 3.422 2.427 + 1530TIP3 OH252217 -1.423 3.308 2.737 + 1530TIP3 H152218 -1.372 3.250 2.796 + 1530TIP3 H252219 -1.514 3.272 2.745 + 1530TIP3 OH252220 -1.159 3.682 2.819 + 1530TIP3 H152221 -1.130 3.680 2.911 + 1530TIP3 H252222 -1.125 3.767 2.787 + 1530TIP3 OH252223 -1.030 4.176 1.410 + 1530TIP3 H152224 -1.037 4.159 1.315 + 1530TIP3 H252225 -0.940 4.214 1.416 + 1530TIP3 OH252226 -1.444 3.557 1.459 + 1530TIP3 H152227 -1.494 3.545 1.540 + 1530TIP3 H252228 -1.486 3.490 1.401 + 1530TIP3 OH252229 -1.873 3.824 2.516 + 1530TIP3 H152230 -1.939 3.838 2.586 + 1530TIP3 H252231 -1.866 3.914 2.476 + 1530TIP3 OH252232 -1.880 3.832 1.998 + 1530TIP3 H152233 -1.975 3.828 1.981 + 1530TIP3 H252234 -1.845 3.815 1.909 + 1530TIP3 OH252235 -1.320 3.901 1.878 + 1530TIP3 H152236 -1.368 3.974 1.836 + 1530TIP3 H252237 -1.254 3.878 1.810 + 1531TIP3 OH252238 -1.236 3.831 2.151 + 1531TIP3 H152239 -1.265 3.885 2.075 + 1531TIP3 H252240 -1.212 3.749 2.104 + 1531TIP3 OH252241 -2.134 3.840 2.688 + 1531TIP3 H152242 -2.119 3.881 2.775 + 1531TIP3 H252243 -2.172 3.754 2.713 + 1531TIP3 OH252244 -1.800 3.599 1.347 + 1531TIP3 H152245 -1.836 3.567 1.432 + 1531TIP3 H252246 -1.880 3.620 1.298 + 1531TIP3 OH252247 -2.460 3.584 2.060 + 1531TIP3 H152248 -2.396 3.589 2.134 + 1531TIP3 H252249 -2.406 3.555 1.986 + 1531TIP3 OH252250 -2.303 3.637 1.620 + 1531TIP3 H152251 -2.247 3.690 1.559 + 1531TIP3 H252252 -2.370 3.704 1.641 + 1531TIP3 OH252253 -1.337 3.996 2.596 + 1531TIP3 H152254 -1.285 3.930 2.545 + 1531TIP3 H252255 -1.372 3.941 2.668 + 1531TIP3 OH252256 -1.604 3.596 2.101 + 1531TIP3 H152257 -1.699 3.590 2.121 + 1531TIP3 H252258 -1.564 3.573 2.187 + 1531TIP3 OH252259 -2.153 3.714 1.971 + 1531TIP3 H152260 -2.229 3.745 1.919 + 1531TIP3 H252261 -2.119 3.639 1.919 + 1531TIP3 OH252262 -1.785 3.751 1.738 + 1531TIP3 H152263 -1.689 3.761 1.737 + 1531TIP3 H252264 -1.815 3.806 1.662 + 1531TIP3 OH252265 -1.167 3.508 2.405 + 1531TIP3 H152266 -1.236 3.509 2.475 + 1531TIP3 H252267 -1.219 3.473 2.331 + 1532TIP3 OH252268 -1.933 3.867 1.518 + 1532TIP3 H152269 -2.003 3.858 1.451 + 1532TIP3 H252270 -1.858 3.893 1.462 + 1532TIP3 OH252271 -2.046 4.316 2.978 + 1532TIP3 H152272 -1.991 4.364 3.043 + 1532TIP3 H252273 -2.128 4.304 3.032 + 1532TIP3 OH252274 -1.503 3.850 2.284 + 1532TIP3 H152275 -1.431 3.807 2.237 + 1532TIP3 H252276 -1.519 3.789 2.359 + 1532TIP3 OH252277 -1.974 3.491 1.900 + 1532TIP3 H152278 -2.027 3.410 1.913 + 1532TIP3 H252279 -1.893 3.456 1.860 + 1532TIP3 OH252280 -1.606 3.698 2.509 + 1532TIP3 H152281 -1.685 3.754 2.510 + 1532TIP3 H252282 -1.558 3.725 2.590 + 1532TIP3 OH252283 -1.631 4.366 1.718 + 1532TIP3 H152284 -1.678 4.300 1.662 + 1532TIP3 H252285 -1.586 4.312 1.784 + 1532TIP3 OH252286 -0.842 4.271 2.567 + 1532TIP3 H152287 -0.820 4.311 2.481 + 1532TIP3 H252288 -0.938 4.257 2.550 + 1532TIP3 OH252289 -1.176 3.617 1.474 + 1532TIP3 H152290 -1.275 3.613 1.469 + 1532TIP3 H252291 -1.159 3.690 1.536 + 1532TIP3 OH252292 -1.109 3.798 1.682 + 1532TIP3 H152293 -1.020 3.781 1.719 + 1532TIP3 H252294 -1.097 3.884 1.638 + 1532TIP3 OH252295 -2.044 4.252 2.273 + 1532TIP3 H152296 -1.991 4.243 2.191 + 1532TIP3 H252297 -2.043 4.162 2.307 + 1533TIP3 OH252298 -2.344 4.078 2.800 + 1533TIP3 H152299 -2.337 4.043 2.891 + 1533TIP3 H252300 -2.421 4.031 2.764 + 1533TIP3 OH252301 -1.642 4.036 3.005 + 1533TIP3 H152302 -1.679 4.023 2.916 + 1533TIP3 H252303 -1.547 4.044 2.987 + 1533TIP3 OH252304 -0.650 3.797 1.653 + 1533TIP3 H152305 -0.705 3.778 1.575 + 1533TIP3 H252306 -0.637 3.893 1.638 + 1533TIP3 OH252307 -1.102 4.180 2.432 + 1533TIP3 H152308 -1.193 4.183 2.399 + 1533TIP3 H252309 -1.056 4.133 2.360 + 1533TIP3 OH252310 -2.222 3.565 2.768 + 1533TIP3 H152311 -2.312 3.590 2.741 + 1533TIP3 H252312 -2.236 3.477 2.808 + 1533TIP3 OH252313 -2.077 -4.389 1.669 + 1533TIP3 H152314 -2.172 -4.369 1.658 + 1533TIP3 H252315 -2.039 -4.326 1.607 + 1533TIP3 OH252316 -1.329 3.553 2.624 + 1533TIP3 H152317 -1.266 3.577 2.694 + 1533TIP3 H252318 -1.375 3.475 2.661 + 1533TIP3 OH252319 -1.262 3.493 1.748 + 1533TIP3 H152320 -1.244 3.545 1.668 + 1533TIP3 H252321 -1.215 3.543 1.816 + 1533TIP3 OH252322 -1.517 3.692 1.842 + 1533TIP3 H152323 -1.441 3.751 1.858 + 1533TIP3 H252324 -1.549 3.676 1.933 + 1533TIP3 OH252325 -1.470 3.801 2.769 + 1533TIP3 H152326 -1.466 3.836 2.859 + 1533TIP3 H252327 -1.416 3.721 2.772 + 1534TIP3 OH252328 -1.461 3.394 1.937 + 1534TIP3 H152329 -1.481 3.465 2.001 + 1534TIP3 H252330 -1.388 3.434 1.885 + 1534TIP3 OH252331 -1.888 3.494 1.589 + 1534TIP3 H152332 -1.885 3.572 1.648 + 1534TIP3 H252333 -1.806 3.448 1.616 + 1534TIP3 OH252334 -0.866 3.590 2.843 + 1534TIP3 H152335 -0.961 3.583 2.824 + 1534TIP3 H252336 -0.831 3.565 2.756 + 1534TIP3 OH252337 -1.002 3.968 2.243 + 1534TIP3 H152338 -1.086 3.923 2.221 + 1534TIP3 H252339 -0.955 3.899 2.294 + 1534TIP3 OH252340 -2.241 3.831 1.416 + 1534TIP3 H152341 -2.221 3.925 1.397 + 1534TIP3 H252342 -2.323 3.822 1.367 + 1534TIP3 OH252343 -2.142 3.304 2.286 + 1534TIP3 H152344 -2.158 3.302 2.190 + 1534TIP3 H252345 -2.174 3.217 2.315 + 1534TIP3 OH252346 -2.291 4.307 3.090 + 1534TIP3 H152347 -2.314 4.213 3.097 + 1534TIP3 H252348 -2.373 4.352 3.068 + 1534TIP3 OH252349 -1.704 4.322 3.045 + 1534TIP3 H152350 -1.701 4.341 2.949 + 1534TIP3 H252351 -1.662 4.234 3.050 + 1534TIP3 OH252352 -1.099 -4.373 2.821 + 1534TIP3 H152353 -1.025 -4.326 2.780 + 1534TIP3 H252354 -1.173 -4.316 2.797 + 1534TIP3 OH252355 -2.234 4.023 3.064 + 1534TIP3 H152356 -2.157 3.965 3.058 + 1534TIP3 H252357 -2.233 4.045 3.158 + 1535TIP3 OH252358 -1.770 4.157 1.582 + 1535TIP3 H152359 -1.845 4.119 1.628 + 1535TIP3 H252360 -1.761 4.096 1.506 + 1535TIP3 OH252361 -1.857 3.935 2.809 + 1535TIP3 H152362 -1.918 4.010 2.823 + 1535TIP3 H252363 -1.800 3.969 2.739 + 1535TIP3 OH252364 -1.694 3.957 1.397 + 1535TIP3 H152365 -1.699 3.970 1.301 + 1535TIP3 H252366 -1.597 3.958 1.413 + 1535TIP3 OH252367 -1.350 4.167 3.119 + 1535TIP3 H152368 -1.259 4.198 3.129 + 1535TIP3 H252369 -1.370 4.137 3.209 + 1535TIP3 OH252370 -0.762 4.189 1.321 + 1535TIP3 H152371 -0.772 4.183 1.224 + 1535TIP3 H252372 -0.759 4.286 1.338 + 1535TIP3 OH252373 -1.792 3.667 2.919 + 1535TIP3 H152374 -1.794 3.599 2.849 + 1535TIP3 H252375 -1.818 3.746 2.870 + 1535TIP3 OH252376 -1.772 3.511 2.661 + 1535TIP3 H152377 -1.721 3.564 2.596 + 1535TIP3 H252378 -1.863 3.514 2.625 + 1535TIP3 OH252379 -1.617 4.070 2.693 + 1535TIP3 H152380 -1.536 4.059 2.639 + 1535TIP3 H252381 -1.658 4.148 2.651 + 1535TIP3 OH252382 -1.059 4.128 3.006 + 1535TIP3 H152383 -1.085 4.203 2.949 + 1535TIP3 H252384 -0.965 4.120 2.982 + 1535TIP3 OH252385 -1.987 3.848 3.097 + 1535TIP3 H152386 -2.039 3.766 3.093 + 1535TIP3 H252387 -1.906 3.823 3.049 + 1536TIP3 OH252388 -1.699 3.245 2.697 + 1536TIP3 H152389 -1.718 3.339 2.680 + 1536TIP3 H252390 -1.767 3.201 2.642 + 1536TIP3 OH252391 -1.537 3.703 3.085 + 1536TIP3 H152392 -1.596 3.686 3.161 + 1536TIP3 H252393 -1.603 3.693 3.014 + 1536TIP3 OH252394 -1.171 3.505 3.184 + 1536TIP3 H152395 -1.164 3.414 3.151 + 1536TIP3 H252396 -1.181 3.488 3.279 + 1536TIP3 OH252397 -2.117 3.594 3.077 + 1536TIP3 H152398 -2.127 3.523 3.012 + 1536TIP3 H252399 -2.139 3.547 3.160 + 1536TIP3 OH252400 -1.711 3.195 2.980 + 1536TIP3 H152401 -1.654 3.116 2.983 + 1536TIP3 H252402 -1.718 3.209 2.884 + 1536TIP3 OH252403 -1.611 3.386 3.164 + 1536TIP3 H152404 -1.642 3.325 3.095 + 1536TIP3 H252405 -1.683 3.452 3.168 + 1536TIP3 OH252406 -0.681 4.364 1.763 + 1536TIP3 H152407 -0.587 4.361 1.743 + 1536TIP3 H252408 -0.699 4.279 1.806 + 1536TIP3 OH252409 -0.645 4.131 1.925 + 1536TIP3 H152410 -0.723 4.088 1.964 + 1536TIP3 H252411 -0.590 4.152 2.002 + 1536TIP3 OH252412 -0.627 4.093 1.577 + 1536TIP3 H152413 -0.690 4.115 1.505 + 1536TIP3 H252414 -0.641 4.167 1.637 + 1536TIP3 OH252415 -0.800 3.843 1.411 + 1536TIP3 H152416 -0.780 3.906 1.339 + 1536TIP3 H252417 -0.824 3.762 1.362 + 1537TIP3 OH252418 -0.871 3.966 1.999 + 1537TIP3 H152419 -0.874 3.869 1.985 + 1537TIP3 H252420 -0.908 3.973 2.090 + 1537TIP3 OH252421 -2.386 4.187 2.397 + 1537TIP3 H152422 -2.376 4.204 2.302 + 1537TIP3 H252423 -2.295 4.161 2.421 + 1537TIP3 OH252424 -0.786 4.165 2.920 + 1537TIP3 H152425 -0.715 4.102 2.944 + 1537TIP3 H252426 -0.739 4.250 2.908 + 1537TIP3 OH252427 -0.647 3.964 3.030 + 1537TIP3 H152428 -0.726 3.908 3.020 + 1537TIP3 H252429 -0.576 3.897 3.041 + 1537TIP3 OH252430 -0.855 3.579 1.330 + 1537TIP3 H152431 -0.798 3.528 1.390 + 1537TIP3 H252432 -0.935 3.525 1.323 + 1537TIP3 OH252433 -0.872 3.706 1.826 + 1537TIP3 H152434 -0.849 3.611 1.831 + 1537TIP3 H252435 -0.792 3.741 1.784 + 1537TIP3 OH252436 -0.851 3.768 2.368 + 1537TIP3 H152437 -0.754 3.779 2.365 + 1537TIP3 H252438 -0.866 3.770 2.464 + 1537TIP3 OH252439 -0.838 3.839 2.655 + 1537TIP3 H152440 -0.924 3.881 2.675 + 1537TIP3 H252441 -0.784 3.915 2.627 + 1537TIP3 OH252442 -2.387 3.716 3.017 + 1537TIP3 H152443 -2.293 3.690 3.020 + 1537TIP3 H252444 -2.431 3.629 3.025 + 1537TIP3 OH252445 -0.582 3.253 3.176 + 1537TIP3 H152446 -0.537 3.184 3.123 + 1537TIP3 H252447 -0.575 3.331 3.119 + 1538TIP3 OH252448 -0.827 3.427 1.822 + 1538TIP3 H152449 -0.817 3.392 1.913 + 1538TIP3 H252450 -0.906 3.378 1.792 + 1538TIP3 OH252451 -2.308 3.546 2.299 + 1538TIP3 H152452 -2.260 3.461 2.305 + 1538TIP3 H252453 -2.240 3.608 2.332 + 1538TIP3 OH252454 -2.454 3.814 2.404 + 1538TIP3 H152455 -2.395 3.813 2.327 + 1538TIP3 H252456 -2.422 3.894 2.449 + 1538TIP3 OH252457 -0.640 3.461 2.999 + 1538TIP3 H152458 -0.729 3.497 3.014 + 1538TIP3 H252459 -0.656 3.404 2.922 + 1538TIP3 OH252460 -0.630 3.475 1.490 + 1538TIP3 H152461 -0.600 3.395 1.444 + 1538TIP3 H252462 -0.548 3.527 1.495 + 1538TIP3 OH252463 -2.416 3.449 1.801 + 1538TIP3 H152464 -2.509 3.461 1.777 + 1538TIP3 H252465 -2.370 3.509 1.741 + 1538TIP3 OH252466 -2.400 3.336 2.622 + 1538TIP3 H152467 -2.471 3.311 2.683 + 1538TIP3 H252468 -2.449 3.390 2.557 + 1538TIP3 OH252469 -0.757 3.280 2.803 + 1538TIP3 H152470 -0.836 3.296 2.748 + 1538TIP3 H252471 -0.731 3.191 2.771 + 1538TIP3 OH252472 -1.411 3.429 2.250 + 1538TIP3 H152473 -1.480 3.361 2.262 + 1538TIP3 H252474 -1.352 3.385 2.188 + 1538TIP3 OH252475 -0.917 3.239 2.298 + 1538TIP3 H152476 -0.840 3.276 2.251 + 1538TIP3 H252477 -0.990 3.258 2.237 + 1539TIP3 OH252478 -0.707 3.343 2.084 + 1539TIP3 H152479 -0.638 3.299 2.031 + 1539TIP3 H252480 -0.675 3.435 2.089 + 1539TIP3 OH252481 -2.178 3.300 2.005 + 1539TIP3 H152482 -2.264 3.285 1.960 + 1539TIP3 H252483 -2.133 3.215 1.989 + 1539TIP3 OH252484 -2.296 3.250 1.594 + 1539TIP3 H152485 -2.243 3.314 1.541 + 1539TIP3 H252486 -2.337 3.308 1.660 + 1539TIP3 OH252487 -1.730 3.286 1.992 + 1539TIP3 H152488 -1.638 3.312 1.975 + 1539TIP3 H252489 -1.729 3.273 2.088 + 1539TIP3 OH252490 -1.169 3.288 2.133 + 1539TIP3 H152491 -1.142 3.271 2.042 + 1539TIP3 H252492 -1.209 3.202 2.158 + 1539TIP3 OH252493 -1.058 3.289 1.731 + 1539TIP3 H152494 -1.141 3.338 1.715 + 1539TIP3 H252495 -1.092 3.199 1.749 + 1539TIP3 OH252496 -2.124 3.427 1.437 + 1539TIP3 H152497 -2.059 3.377 1.383 + 1539TIP3 H252498 -2.066 3.465 1.505 + 1539TIP3 OH252499 -1.616 3.450 1.697 + 1539TIP3 H152500 -1.579 3.392 1.765 + 1539TIP3 H252501 -1.594 3.537 1.734 + 1539TIP3 OH252502 -2.197 3.324 2.956 + 1539TIP3 H152503 -2.236 3.243 2.992 + 1539TIP3 H252504 -2.104 3.312 2.983 + 1539TIP3 OH252505 -1.957 3.264 3.132 + 1539TIP3 H152506 -1.875 3.229 3.091 + 1539TIP3 H252507 -1.993 3.184 3.173 + 1540TIP3 OH252508 -1.143 3.204 3.149 + 1540TIP3 H152509 -1.145 3.153 3.233 + 1540TIP3 H252510 -1.049 3.193 3.123 + 1540TIP3 OH252511 0.607 4.204 2.024 + 1540TIP3 H152512 0.584 4.296 2.001 + 1540TIP3 H252513 0.540 4.157 1.972 + 1540TIP3 OH252514 -0.258 4.078 2.496 + 1540TIP3 H152515 -0.263 4.006 2.561 + 1540TIP3 H252516 -0.194 4.137 2.539 + 1540TIP3 OH252517 -0.492 3.888 1.894 + 1540TIP3 H152518 -0.539 3.973 1.898 + 1540TIP3 H252519 -0.560 3.831 1.854 + 1540TIP3 OH252520 -0.394 4.137 2.084 + 1540TIP3 H152521 -0.398 4.054 2.135 + 1540TIP3 H252522 -0.321 4.115 2.024 + 1540TIP3 OH252523 1.206 3.531 2.453 + 1540TIP3 H152524 1.236 3.586 2.527 + 1540TIP3 H252525 1.272 3.554 2.385 + 1540TIP3 OH252526 0.664 3.824 2.444 + 1540TIP3 H152527 0.676 3.735 2.481 + 1540TIP3 H252528 0.663 3.804 2.349 + 1540TIP3 OH252529 -0.028 3.607 2.153 + 1540TIP3 H152530 -0.015 3.691 2.105 + 1540TIP3 H252531 -0.062 3.552 2.079 + 1540TIP3 OH252532 0.758 3.624 1.984 + 1540TIP3 H152533 0.816 3.579 2.050 + 1540TIP3 H252534 0.824 3.666 1.928 + 1540TIP3 OH252535 -0.360 3.878 2.202 + 1540TIP3 H152536 -0.298 3.830 2.259 + 1540TIP3 H252537 -0.351 3.829 2.119 + 1541TIP3 OH252538 0.181 4.019 2.151 + 1541TIP3 H152539 0.249 3.962 2.192 + 1541TIP3 H252540 0.128 3.954 2.101 + 1541TIP3 OH252541 1.283 3.662 2.705 + 1541TIP3 H152542 1.225 3.735 2.678 + 1541TIP3 H252543 1.260 3.656 2.799 + 1541TIP3 OH252544 -0.146 3.485 2.568 + 1541TIP3 H152545 -0.189 3.533 2.496 + 1541TIP3 H252546 -0.212 3.497 2.639 + 1541TIP3 OH252547 0.120 4.261 2.550 + 1541TIP3 H152548 0.039 4.314 2.552 + 1541TIP3 H252549 0.186 4.332 2.543 + 1541TIP3 OH252550 0.939 3.549 2.187 + 1541TIP3 H152551 0.904 3.485 2.251 + 1541TIP3 H252552 0.995 3.604 2.243 + 1541TIP3 OH252553 -0.188 3.689 2.362 + 1541TIP3 H152554 -0.123 3.747 2.407 + 1541TIP3 H252555 -0.131 3.652 2.291 + 1541TIP3 OH252556 0.952 3.464 2.571 + 1541TIP3 H152557 0.875 3.500 2.524 + 1541TIP3 H252558 1.025 3.481 2.509 + 1541TIP3 OH252559 0.266 3.234 2.277 + 1541TIP3 H152560 0.245 3.139 2.272 + 1541TIP3 H252561 0.184 3.270 2.315 + 1541TIP3 OH252562 0.464 4.147 1.752 + 1541TIP3 H152563 0.398 4.173 1.687 + 1541TIP3 H252564 0.541 4.133 1.694 + 1541TIP3 OH252565 0.504 3.942 1.471 + 1541TIP3 H152566 0.579 3.979 1.521 + 1541TIP3 H252567 0.552 3.892 1.403 + 1542TIP3 OH252568 1.209 4.047 2.567 + 1542TIP3 H152569 1.156 4.124 2.595 + 1542TIP3 H252570 1.271 4.092 2.507 + 1542TIP3 OH252571 0.836 4.139 1.854 + 1542TIP3 H152572 0.771 4.160 1.922 + 1542TIP3 H252573 0.902 4.088 1.904 + 1542TIP3 OH252574 0.789 3.985 2.733 + 1542TIP3 H152575 0.794 4.035 2.816 + 1542TIP3 H252576 0.747 4.050 2.678 + 1542TIP3 OH252577 -0.011 4.206 2.047 + 1542TIP3 H152578 -0.035 4.182 1.955 + 1542TIP3 H252579 0.065 4.148 2.063 + 1542TIP3 OH252580 0.046 4.063 2.388 + 1542TIP3 H152581 0.097 4.073 2.306 + 1542TIP3 H252582 0.072 4.142 2.440 + 1542TIP3 OH252583 0.715 4.076 1.617 + 1542TIP3 H152584 0.775 4.101 1.690 + 1542TIP3 H252585 0.761 4.120 1.541 + 1542TIP3 OH252586 -0.173 4.146 2.773 + 1542TIP3 H152587 -0.162 4.208 2.848 + 1542TIP3 H252588 -0.270 4.146 2.766 + 1542TIP3 OH252589 1.066 3.247 1.558 + 1542TIP3 H152590 0.979 3.256 1.600 + 1542TIP3 H252591 1.101 3.337 1.564 + 1542TIP3 OH252592 -0.129 4.091 1.801 + 1542TIP3 H152593 -0.141 4.167 1.740 + 1542TIP3 H252594 -0.185 4.023 1.761 + 1542TIP3 OH252595 -0.487 4.318 2.656 + 1542TIP3 H152596 -0.547 4.299 2.583 + 1542TIP3 H252597 -0.496 4.239 2.713 + 1543TIP3 OH252598 1.008 3.836 2.979 + 1543TIP3 H152599 0.965 3.871 2.900 + 1543TIP3 H252600 1.014 3.742 2.956 + 1543TIP3 OH252601 0.024 3.350 2.368 + 1543TIP3 H152602 -0.057 3.342 2.315 + 1543TIP3 H252603 -0.003 3.421 2.429 + 1543TIP3 OH252604 0.461 3.306 2.732 + 1543TIP3 H152605 0.514 3.254 2.795 + 1543TIP3 H252606 0.370 3.271 2.746 + 1543TIP3 OH252607 0.774 3.683 2.782 + 1543TIP3 H152608 0.716 3.665 2.859 + 1543TIP3 H252609 0.760 3.778 2.766 + 1543TIP3 OH252610 0.855 4.175 1.411 + 1543TIP3 H152611 0.849 4.159 1.315 + 1543TIP3 H252612 0.944 4.215 1.417 + 1543TIP3 OH252613 0.441 3.558 1.459 + 1543TIP3 H152614 0.391 3.543 1.541 + 1543TIP3 H252615 0.401 3.490 1.402 + 1543TIP3 OH252616 0.014 3.826 2.518 + 1543TIP3 H152617 -0.057 3.835 2.583 + 1543TIP3 H252618 0.015 3.914 2.473 + 1543TIP3 OH252619 0.004 3.836 1.996 + 1543TIP3 H152620 -0.091 3.826 1.980 + 1543TIP3 H252621 0.039 3.815 1.907 + 1543TIP3 OH252622 0.567 3.902 1.882 + 1543TIP3 H152623 0.518 3.973 1.837 + 1543TIP3 H252624 0.633 3.878 1.814 + 1543TIP3 OH252625 0.484 3.921 3.019 + 1543TIP3 H152626 0.433 3.843 3.049 + 1543TIP3 H252627 0.572 3.904 3.058 + 1544TIP3 OH252628 0.657 3.836 2.151 + 1544TIP3 H152629 0.626 3.883 2.071 + 1544TIP3 H252630 0.679 3.750 2.110 + 1544TIP3 OH252631 -0.249 3.841 2.691 + 1544TIP3 H152632 -0.234 3.877 2.779 + 1544TIP3 H252633 -0.286 3.754 2.712 + 1544TIP3 OH252634 0.084 3.605 1.350 + 1544TIP3 H152635 0.048 3.566 1.432 + 1544TIP3 H252636 0.006 3.615 1.295 + 1544TIP3 OH252637 -0.570 3.594 2.056 + 1544TIP3 H152638 -0.509 3.586 2.132 + 1544TIP3 H252639 -0.522 3.551 1.984 + 1544TIP3 OH252640 -0.411 3.635 1.630 + 1544TIP3 H152641 -0.358 3.682 1.562 + 1544TIP3 H252642 -0.482 3.698 1.645 + 1544TIP3 OH252643 0.284 3.608 2.109 + 1544TIP3 H152644 0.189 3.592 2.125 + 1544TIP3 H252645 0.324 3.570 2.189 + 1544TIP3 OH252646 -0.263 3.717 1.968 + 1544TIP3 H152647 -0.344 3.742 1.920 + 1544TIP3 H252648 -0.233 3.638 1.920 + 1544TIP3 OH252649 0.101 3.755 1.738 + 1544TIP3 H152650 0.198 3.758 1.738 + 1544TIP3 H252651 0.076 3.809 1.661 + 1544TIP3 OH252652 0.719 3.514 2.402 + 1544TIP3 H152653 0.654 3.513 2.475 + 1544TIP3 H252654 0.664 3.479 2.330 + 1544TIP3 OH252655 -0.055 3.877 1.514 + 1544TIP3 H152656 -0.112 3.844 1.443 + 1544TIP3 H252657 0.027 3.897 1.464 + 1545TIP3 OH252658 -0.167 4.317 2.978 + 1545TIP3 H152659 -0.108 4.362 3.042 + 1545TIP3 H252660 -0.246 4.305 3.035 + 1545TIP3 OH252661 0.400 3.877 2.308 + 1545TIP3 H152662 0.445 3.825 2.240 + 1545TIP3 H252663 0.368 3.806 2.368 + 1545TIP3 OH252664 -0.087 3.490 1.901 + 1545TIP3 H152665 -0.144 3.412 1.913 + 1545TIP3 H252666 -0.009 3.451 1.860 + 1545TIP3 OH252667 0.284 3.704 2.495 + 1545TIP3 H152668 0.199 3.749 2.510 + 1545TIP3 H252669 0.331 3.715 2.579 + 1545TIP3 OH252670 0.241 4.363 1.734 + 1545TIP3 H152671 0.213 4.306 1.660 + 1545TIP3 H252672 0.315 4.316 1.775 + 1545TIP3 OH252673 1.017 4.257 2.559 + 1545TIP3 H152674 1.079 4.299 2.497 + 1545TIP3 H252675 0.937 4.272 2.507 + 1545TIP3 OH252676 0.709 3.615 1.476 + 1545TIP3 H152677 0.611 3.614 1.469 + 1545TIP3 H252678 0.726 3.690 1.536 + 1545TIP3 OH252679 0.777 3.799 1.685 + 1545TIP3 H152680 0.866 3.781 1.721 + 1545TIP3 H252681 0.790 3.883 1.638 + 1545TIP3 OH252682 -0.157 4.254 2.272 + 1545TIP3 H152683 -0.104 4.240 2.191 + 1545TIP3 H252684 -0.162 4.164 2.308 + 1545TIP3 OH252685 -0.474 4.091 2.811 + 1545TIP3 H152686 -0.455 4.045 2.895 + 1545TIP3 H252687 -0.533 4.029 2.765 + 1546TIP3 OH252688 0.229 4.053 3.007 + 1546TIP3 H152689 0.189 4.020 2.925 + 1546TIP3 H252690 0.323 4.028 2.995 + 1546TIP3 OH252691 1.235 3.798 1.654 + 1546TIP3 H152692 1.181 3.778 1.574 + 1546TIP3 H252693 1.248 3.894 1.638 + 1546TIP3 OH252694 -0.363 4.094 1.458 + 1546TIP3 H152695 -0.304 4.155 1.505 + 1546TIP3 H252696 -0.448 4.111 1.502 + 1546TIP3 OH252697 -0.336 3.565 2.766 + 1546TIP3 H152698 -0.427 3.589 2.741 + 1546TIP3 H252699 -0.349 3.478 2.808 + 1546TIP3 OH252700 -0.186 -4.386 1.644 + 1546TIP3 H152701 -0.277 -4.352 1.655 + 1546TIP3 H252702 -0.140 -4.306 1.617 + 1546TIP3 OH252703 0.559 3.550 2.623 + 1546TIP3 H152704 0.622 3.573 2.693 + 1546TIP3 H252705 0.512 3.474 2.661 + 1546TIP3 OH252706 0.622 3.494 1.748 + 1546TIP3 H152707 0.643 3.543 1.667 + 1546TIP3 H252708 0.673 3.542 1.815 + 1546TIP3 OH252709 0.366 3.694 1.843 + 1546TIP3 H152710 0.445 3.749 1.857 + 1546TIP3 H252711 0.337 3.677 1.934 + 1546TIP3 OH252712 0.405 3.794 2.755 + 1546TIP3 H152713 0.421 3.851 2.833 + 1546TIP3 H252714 0.459 3.717 2.777 + 1546TIP3 OH252715 0.425 3.395 1.936 + 1546TIP3 H152716 0.410 3.464 2.003 + 1546TIP3 H252717 0.498 3.434 1.884 + 1547TIP3 OH252718 -0.003 3.494 1.589 + 1547TIP3 H152719 -0.000 3.569 1.650 + 1547TIP3 H252720 0.079 3.446 1.615 + 1547TIP3 OH252721 1.031 3.585 2.846 + 1547TIP3 H152722 0.936 3.596 2.832 + 1547TIP3 H252723 1.057 3.559 2.756 + 1547TIP3 OH252724 0.846 3.993 2.289 + 1547TIP3 H152725 0.798 3.936 2.226 + 1547TIP3 H252726 0.920 3.935 2.316 + 1547TIP3 OH252727 -0.350 3.800 1.411 + 1547TIP3 H152728 -0.336 3.895 1.427 + 1547TIP3 H252729 -0.433 3.799 1.362 + 1547TIP3 OH252730 -0.256 3.305 2.286 + 1547TIP3 H152731 -0.273 3.302 2.190 + 1547TIP3 H252732 -0.289 3.218 2.316 + 1547TIP3 OH252733 -0.408 4.312 3.099 + 1547TIP3 H152734 -0.421 4.216 3.109 + 1547TIP3 H252735 -0.494 4.342 3.066 + 1547TIP3 OH252736 0.186 4.329 3.044 + 1547TIP3 H152737 0.187 4.345 2.948 + 1547TIP3 H252738 0.221 4.238 3.049 + 1547TIP3 OH252739 0.783 -4.378 2.807 + 1547TIP3 H152740 0.864 -4.333 2.783 + 1547TIP3 H252741 0.721 -4.304 2.812 + 1547TIP3 OH252742 -0.347 4.025 3.065 + 1547TIP3 H152743 -0.269 3.967 3.059 + 1547TIP3 H252744 -0.348 4.044 3.161 + 1547TIP3 OH252745 0.111 4.160 1.572 + 1547TIP3 H152746 0.044 4.118 1.628 + 1547TIP3 H252747 0.125 4.094 1.503 + 1548TIP3 OH252748 0.036 3.941 2.809 + 1548TIP3 H152749 -0.032 4.009 2.828 + 1548TIP3 H252750 0.068 3.970 2.723 + 1548TIP3 OH252751 0.193 3.957 1.399 + 1548TIP3 H152752 0.189 3.970 1.302 + 1548TIP3 H252753 0.289 3.956 1.414 + 1548TIP3 OH252754 0.553 4.216 3.154 + 1548TIP3 H152755 0.642 4.193 3.128 + 1548TIP3 H252756 0.517 4.133 3.185 + 1548TIP3 OH252757 1.121 4.189 1.321 + 1548TIP3 H152758 1.114 4.183 1.224 + 1548TIP3 H252759 1.127 4.285 1.337 + 1548TIP3 OH252760 0.080 3.662 2.915 + 1548TIP3 H152761 0.087 3.597 2.843 + 1548TIP3 H252762 0.062 3.744 2.866 + 1548TIP3 OH252763 0.114 3.513 2.660 + 1548TIP3 H152764 0.164 3.559 2.591 + 1548TIP3 H252765 0.023 3.512 2.625 + 1548TIP3 OH252766 0.322 4.096 2.682 + 1548TIP3 H152767 0.328 4.024 2.619 + 1548TIP3 H252768 0.245 4.147 2.653 + 1548TIP3 OH252769 0.729 3.849 3.177 + 1548TIP3 H152770 0.746 3.755 3.194 + 1548TIP3 H252771 0.819 3.884 3.174 + 1548TIP3 OH252772 0.826 4.127 3.000 + 1548TIP3 H152773 0.802 4.203 2.942 + 1548TIP3 H252774 0.921 4.120 2.981 + 1548TIP3 OH252775 -0.105 3.853 3.088 + 1548TIP3 H152776 -0.155 3.769 3.094 + 1548TIP3 H252777 -0.020 3.822 3.053 + 1549TIP3 OH252778 0.186 3.244 2.696 + 1549TIP3 H152779 0.168 3.339 2.680 + 1549TIP3 H252780 0.116 3.201 2.642 + 1549TIP3 OH252781 0.313 3.702 3.072 + 1549TIP3 H152782 0.281 3.681 3.161 + 1549TIP3 H252783 0.233 3.681 3.020 + 1549TIP3 OH252784 0.566 3.606 2.960 + 1549TIP3 H152785 0.478 3.612 3.001 + 1549TIP3 H252786 0.612 3.543 3.019 + 1549TIP3 OH252787 0.750 3.454 3.132 + 1549TIP3 H152788 0.736 3.359 3.148 + 1549TIP3 H252789 0.733 3.494 3.219 + 1549TIP3 OH252790 -0.232 3.594 3.079 + 1549TIP3 H152791 -0.240 3.523 3.013 + 1549TIP3 H252792 -0.254 3.546 3.161 + 1549TIP3 OH252793 0.170 3.192 2.977 + 1549TIP3 H152794 0.230 3.115 2.983 + 1549TIP3 H252795 0.168 3.206 2.881 + 1549TIP3 OH252796 0.265 3.379 3.162 + 1549TIP3 H152797 0.235 3.319 3.090 + 1549TIP3 H252798 0.195 3.446 3.164 + 1549TIP3 OH252799 1.199 4.357 1.757 + 1549TIP3 H152800 1.295 4.367 1.747 + 1549TIP3 H252801 1.190 4.277 1.810 + 1549TIP3 OH252802 1.233 4.133 1.923 + 1549TIP3 H152803 1.161 4.087 1.970 + 1549TIP3 H252804 1.301 4.146 1.992 + 1549TIP3 OH252805 1.257 4.093 1.577 + 1549TIP3 H152806 1.196 4.117 1.506 + 1549TIP3 H252807 1.246 4.168 1.637 + 1550TIP3 OH252808 1.085 3.843 1.411 + 1550TIP3 H152809 1.105 3.906 1.340 + 1550TIP3 H252810 1.061 3.762 1.361 + 1550TIP3 OH252811 1.001 3.963 2.011 + 1550TIP3 H152812 1.008 3.867 1.998 + 1550TIP3 H252813 0.978 3.970 2.105 + 1550TIP3 OH252814 -0.507 4.181 2.385 + 1550TIP3 H152815 -0.485 4.195 2.291 + 1550TIP3 H252816 -0.419 4.172 2.425 + 1550TIP3 OH252817 1.098 4.165 2.926 + 1550TIP3 H152818 1.169 4.099 2.945 + 1550TIP3 H252819 1.146 4.244 2.896 + 1550TIP3 OH252820 1.243 3.965 3.033 + 1550TIP3 H152821 1.161 3.912 3.019 + 1550TIP3 H252822 1.310 3.895 3.041 + 1550TIP3 OH252823 1.030 3.579 1.330 + 1550TIP3 H152824 1.089 3.529 1.389 + 1550TIP3 H252825 0.951 3.524 1.323 + 1550TIP3 OH252826 1.013 3.709 1.829 + 1550TIP3 H152827 1.037 3.614 1.833 + 1550TIP3 H252828 1.093 3.745 1.786 + 1550TIP3 OH252829 1.032 3.785 2.364 + 1550TIP3 H152830 1.130 3.785 2.361 + 1550TIP3 H252831 1.018 3.773 2.459 + 1550TIP3 OH252832 1.041 3.844 2.660 + 1550TIP3 H152833 0.954 3.885 2.674 + 1550TIP3 H252834 1.094 3.920 2.628 + 1550TIP3 OH252835 -0.502 3.716 3.015 + 1550TIP3 H152836 -0.408 3.691 3.022 + 1550TIP3 H252837 -0.544 3.629 3.024 + 1551TIP3 OH252838 1.307 3.253 3.179 + 1551TIP3 H152839 1.349 3.183 3.125 + 1551TIP3 H252840 1.311 3.330 3.120 + 1551TIP3 OH252841 1.057 3.430 1.822 + 1551TIP3 H152842 1.071 3.395 1.912 + 1551TIP3 H252843 0.979 3.378 1.794 + 1551TIP3 OH252844 -0.423 3.547 2.299 + 1551TIP3 H152845 -0.378 3.461 2.304 + 1551TIP3 H252846 -0.354 3.607 2.332 + 1551TIP3 OH252847 -0.567 3.815 2.406 + 1551TIP3 H152848 -0.511 3.809 2.327 + 1551TIP3 H252849 -0.534 3.896 2.446 + 1551TIP3 OH252850 1.246 3.458 3.003 + 1551TIP3 H152851 1.158 3.499 3.009 + 1551TIP3 H252852 1.234 3.402 2.924 + 1551TIP3 OH252853 1.255 3.476 1.488 + 1551TIP3 H152854 1.286 3.395 1.444 + 1551TIP3 H252855 1.337 3.527 1.497 + 1551TIP3 OH252856 -0.519 3.451 1.810 + 1551TIP3 H152857 -0.614 3.452 1.787 + 1551TIP3 H252858 -0.479 3.509 1.742 + 1551TIP3 OH252859 -0.513 3.339 2.624 + 1551TIP3 H152860 -0.584 3.308 2.681 + 1551TIP3 H252861 -0.564 3.388 2.556 + 1551TIP3 OH252862 1.132 3.280 2.801 + 1551TIP3 H152863 1.051 3.298 2.751 + 1551TIP3 H252864 1.154 3.190 2.770 + 1551TIP3 OH252865 0.471 3.431 2.245 + 1551TIP3 H152866 0.405 3.361 2.262 + 1551TIP3 H252867 0.535 3.384 2.190 + 1552TIP3 OH252868 0.969 3.237 2.297 + 1552TIP3 H152869 1.046 3.276 2.253 + 1552TIP3 H252870 0.896 3.260 2.237 + 1552TIP3 OH252871 1.176 3.343 2.080 + 1552TIP3 H152872 1.248 3.299 2.031 + 1552TIP3 H252873 1.211 3.434 2.089 + 1552TIP3 OH252874 -0.290 3.300 2.005 + 1552TIP3 H152875 -0.377 3.288 1.960 + 1552TIP3 H252876 -0.249 3.213 1.989 + 1552TIP3 OH252877 -0.408 3.250 1.592 + 1552TIP3 H152878 -0.358 3.315 1.540 + 1552TIP3 H252879 -0.450 3.305 1.660 + 1552TIP3 OH252880 0.156 3.288 1.992 + 1552TIP3 H152881 0.250 3.311 1.976 + 1552TIP3 H252882 0.156 3.273 2.087 + 1552TIP3 OH252883 0.714 3.289 2.132 + 1552TIP3 H152884 0.743 3.271 2.042 + 1552TIP3 H252885 0.678 3.202 2.158 + 1552TIP3 OH252886 0.826 3.289 1.733 + 1552TIP3 H152887 0.743 3.336 1.715 + 1552TIP3 H252888 0.793 3.198 1.745 + 1552TIP3 OH252889 -0.238 3.432 1.436 + 1552TIP3 H152890 -0.178 3.376 1.384 + 1552TIP3 H252891 -0.178 3.465 1.505 + 1552TIP3 OH252892 0.271 3.451 1.697 + 1552TIP3 H152893 0.306 3.393 1.765 + 1552TIP3 H252894 0.292 3.538 1.735 + 1552TIP3 OH252895 -0.311 3.324 2.957 + 1552TIP3 H152896 -0.350 3.243 2.992 + 1552TIP3 H252897 -0.218 3.312 2.983 + 1553TIP3 OH252898 -0.072 3.263 3.129 + 1553TIP3 H152899 0.010 3.229 3.089 + 1553TIP3 H252900 -0.106 3.183 3.173 + 1553TIP3 OH252901 0.740 3.175 3.147 + 1553TIP3 H152902 0.743 3.132 3.235 + 1553TIP3 H252903 0.834 3.171 3.121 + 1553TIP3 OH252904 2.498 4.205 2.012 + 1553TIP3 H152905 2.467 4.296 2.007 + 1553TIP3 H252906 2.425 4.160 1.966 + 1553TIP3 OH252907 2.377 4.136 2.339 + 1553TIP3 H152908 2.381 4.082 2.419 + 1553TIP3 H252909 2.350 4.072 2.272 + 1553TIP3 OH252910 1.624 4.086 2.503 + 1553TIP3 H152911 1.617 4.008 2.561 + 1553TIP3 H252912 1.700 4.130 2.544 + 1553TIP3 OH252913 1.393 3.881 1.891 + 1553TIP3 H152914 1.355 3.969 1.901 + 1553TIP3 H252915 1.321 3.833 1.848 + 1553TIP3 OH252916 1.472 4.127 2.066 + 1553TIP3 H152917 1.481 4.056 2.132 + 1553TIP3 H252918 1.565 4.136 2.041 + 1553TIP3 OH252919 3.102 3.520 2.460 + 1553TIP3 H152920 3.124 3.585 2.528 + 1553TIP3 H252921 3.157 3.550 2.386 + 1553TIP3 OH252922 2.563 3.804 2.447 + 1553TIP3 H152923 2.574 3.707 2.449 + 1553TIP3 H252924 2.551 3.819 2.351 + 1553TIP3 OH252925 1.859 3.606 2.153 + 1553TIP3 H152926 1.872 3.691 2.106 + 1553TIP3 H252927 1.823 3.553 2.079 + 1554TIP3 OH252928 2.643 3.623 1.984 + 1554TIP3 H152929 2.702 3.580 2.050 + 1554TIP3 H252930 2.708 3.668 1.928 + 1554TIP3 OH252931 1.519 3.872 2.206 + 1554TIP3 H152932 1.589 3.830 2.259 + 1554TIP3 H252933 1.533 3.830 2.119 + 1554TIP3 OH252934 2.066 4.019 2.154 + 1554TIP3 H152935 2.134 3.959 2.192 + 1554TIP3 H252936 2.012 3.956 2.102 + 1554TIP3 OH252937 3.180 3.661 2.704 + 1554TIP3 H152938 3.118 3.731 2.677 + 1554TIP3 H252939 3.157 3.653 2.798 + 1554TIP3 OH252940 1.738 3.486 2.569 + 1554TIP3 H152941 1.697 3.534 2.496 + 1554TIP3 H252942 1.672 3.499 2.639 + 1554TIP3 OH252943 1.993 4.282 2.543 + 1554TIP3 H152944 1.917 4.341 2.553 + 1554TIP3 H252945 2.066 4.344 2.531 + 1554TIP3 OH252946 2.827 3.546 2.187 + 1554TIP3 H152947 2.786 3.486 2.250 + 1554TIP3 H252948 2.875 3.607 2.245 + 1554TIP3 OH252949 1.698 3.689 2.362 + 1554TIP3 H152950 1.763 3.746 2.408 + 1554TIP3 H252951 1.755 3.652 2.291 + 1554TIP3 OH252952 2.840 3.466 2.572 + 1554TIP3 H152953 2.762 3.501 2.524 + 1554TIP3 H252954 2.911 3.479 2.506 + 1554TIP3 OH252955 2.152 3.233 2.278 + 1554TIP3 H152956 2.129 3.138 2.272 + 1554TIP3 H252957 2.069 3.270 2.315 + 1555TIP3 OH252958 2.349 4.140 1.752 + 1555TIP3 H152959 2.286 4.189 1.696 + 1555TIP3 H252960 2.425 4.133 1.691 + 1555TIP3 OH252961 2.390 3.941 1.470 + 1555TIP3 H152962 2.463 3.979 1.522 + 1555TIP3 H252963 2.439 3.892 1.402 + 1555TIP3 OH252964 3.103 4.055 2.574 + 1555TIP3 H152965 3.037 4.127 2.588 + 1555TIP3 H252966 3.154 4.095 2.501 + 1555TIP3 OH252967 2.721 4.141 1.853 + 1555TIP3 H152968 2.655 4.163 1.921 + 1555TIP3 H252969 2.786 4.089 1.903 + 1555TIP3 OH252970 2.695 3.981 2.745 + 1555TIP3 H152971 2.696 4.059 2.802 + 1555TIP3 H252972 2.637 4.014 2.674 + 1555TIP3 OH252973 1.876 4.212 2.043 + 1555TIP3 H152974 1.853 4.181 1.954 + 1555TIP3 H252975 1.950 4.153 2.065 + 1555TIP3 OH252976 1.931 4.069 2.393 + 1555TIP3 H152977 1.986 4.073 2.312 + 1555TIP3 H252978 1.963 4.144 2.446 + 1555TIP3 OH252979 2.602 4.073 1.616 + 1555TIP3 H152980 2.659 4.102 1.691 + 1555TIP3 H252981 2.648 4.119 1.541 + 1555TIP3 OH252982 1.713 4.148 2.772 + 1555TIP3 H152983 1.722 4.211 2.848 + 1555TIP3 H252984 1.617 4.133 2.773 + 1555TIP3 OH252985 2.952 3.246 1.559 + 1555TIP3 H152986 2.864 3.255 1.599 + 1555TIP3 H252987 2.987 3.337 1.565 + 1556TIP3 OH252988 1.763 4.088 1.796 + 1556TIP3 H152989 1.746 4.166 1.739 + 1556TIP3 H252990 1.698 4.025 1.763 + 1556TIP3 OH252991 1.326 4.290 2.659 + 1556TIP3 H152992 1.365 4.326 2.578 + 1556TIP3 H252993 1.405 4.273 2.712 + 1556TIP3 OH252994 2.894 3.836 2.978 + 1556TIP3 H152995 2.841 3.875 2.907 + 1556TIP3 H252996 2.899 3.743 2.948 + 1556TIP3 OH252997 1.910 3.348 2.369 + 1556TIP3 H152998 1.828 3.340 2.317 + 1556TIP3 H252999 1.885 3.421 2.428 + 1556TIP3 OH253000 2.345 3.310 2.737 + 1556TIP3 H153001 2.396 3.250 2.794 + 1556TIP3 H253002 2.254 3.275 2.744 + 1556TIP3 OH253003 2.666 3.686 2.789 + 1556TIP3 H153004 2.599 3.673 2.859 + 1556TIP3 H253005 2.655 3.780 2.766 + 1556TIP3 OH253006 2.742 4.175 1.410 + 1556TIP3 H153007 2.735 4.160 1.314 + 1556TIP3 H253008 2.831 4.215 1.417 + 1556TIP3 OH253009 2.328 3.556 1.459 + 1556TIP3 H153010 2.277 3.544 1.541 + 1556TIP3 H253011 2.286 3.490 1.402 + 1556TIP3 OH253012 1.898 3.824 2.513 + 1556TIP3 H153013 1.832 3.837 2.584 + 1556TIP3 H253014 1.906 3.914 2.475 + 1556TIP3 OH253015 1.890 3.835 1.996 + 1556TIP3 H153016 1.794 3.828 1.980 + 1556TIP3 H253017 1.924 3.815 1.907 + 1557TIP3 OH253018 2.451 3.900 1.878 + 1557TIP3 H153019 2.404 3.975 1.837 + 1557TIP3 H253020 2.516 3.879 1.809 + 1557TIP3 OH253021 2.370 3.921 3.018 + 1557TIP3 H153022 2.319 3.845 3.051 + 1557TIP3 H253023 2.458 3.904 3.056 + 1557TIP3 OH253024 2.536 3.831 2.151 + 1557TIP3 H153025 2.507 3.885 2.075 + 1557TIP3 H253026 2.559 3.749 2.103 + 1557TIP3 OH253027 1.637 3.840 2.688 + 1557TIP3 H153028 1.651 3.879 2.775 + 1557TIP3 H253029 1.599 3.754 2.711 + 1557TIP3 OH253030 1.971 3.603 1.349 + 1557TIP3 H153031 1.934 3.567 1.433 + 1557TIP3 H253032 1.892 3.616 1.296 + 1557TIP3 OH253033 1.312 3.589 2.057 + 1557TIP3 H153034 1.375 3.589 2.132 + 1557TIP3 H253035 1.365 3.552 1.985 + 1557TIP3 OH253036 1.473 3.634 1.628 + 1557TIP3 H153037 1.528 3.681 1.562 + 1557TIP3 H253038 1.404 3.699 1.645 + 1557TIP3 OH253039 2.434 3.997 2.598 + 1557TIP3 H153040 2.486 3.931 2.547 + 1557TIP3 H253041 2.403 3.943 2.672 + 1557TIP3 OH253042 2.167 3.595 2.101 + 1557TIP3 H153043 2.072 3.591 2.121 + 1557TIP3 H253044 2.206 3.573 2.188 + 1557TIP3 OH253045 1.621 3.716 1.969 + 1557TIP3 H153046 1.541 3.744 1.921 + 1557TIP3 H253047 1.651 3.638 1.919 + 1558TIP3 OH253048 1.987 3.751 1.735 + 1558TIP3 H153049 2.083 3.759 1.739 + 1558TIP3 H253050 1.961 3.810 1.662 + 1558TIP3 OH253051 2.606 3.507 2.403 + 1558TIP3 H153052 2.540 3.508 2.476 + 1558TIP3 H253053 2.550 3.472 2.331 + 1558TIP3 OH253054 1.830 3.876 1.513 + 1558TIP3 H153055 1.774 3.844 1.441 + 1558TIP3 H253056 1.912 3.897 1.465 + 1558TIP3 OH253057 1.726 4.317 2.979 + 1558TIP3 H153058 1.780 4.366 3.043 + 1558TIP3 H253059 1.644 4.304 3.031 + 1558TIP3 OH253060 2.268 3.851 2.284 + 1558TIP3 H153061 2.340 3.806 2.237 + 1558TIP3 H253062 2.252 3.789 2.358 + 1558TIP3 OH253063 1.798 3.490 1.900 + 1558TIP3 H153064 1.742 3.411 1.914 + 1558TIP3 H253065 1.878 3.452 1.861 + 1558TIP3 OH253066 2.166 3.695 2.505 + 1558TIP3 H153067 2.086 3.751 2.507 + 1558TIP3 H253068 2.213 3.722 2.586 + 1558TIP3 OH253069 2.151 4.360 1.704 + 1558TIP3 H153070 2.095 4.297 1.655 + 1558TIP3 H253071 2.164 4.319 1.790 + 1558TIP3 OH253072 2.926 4.267 2.564 + 1558TIP3 H153073 2.951 4.312 2.482 + 1558TIP3 H253074 2.831 4.254 2.545 + 1558TIP3 OH253075 2.595 3.616 1.473 + 1558TIP3 H153076 2.497 3.613 1.469 + 1558TIP3 H253077 2.613 3.689 1.536 + 1559TIP3 OH253078 2.663 3.798 1.682 + 1559TIP3 H153079 2.752 3.782 1.719 + 1559TIP3 H253080 2.673 3.885 1.639 + 1559TIP3 OH253081 1.681 4.216 2.241 + 1559TIP3 H153082 1.765 4.236 2.194 + 1559TIP3 H253083 1.711 4.175 2.323 + 1559TIP3 OH253084 1.438 4.075 2.809 + 1559TIP3 H153085 1.433 4.036 2.898 + 1559TIP3 H253086 1.359 4.040 2.765 + 1559TIP3 OH253087 2.115 4.052 3.005 + 1559TIP3 H153088 2.078 4.027 2.919 + 1559TIP3 H253089 2.209 4.028 2.993 + 1559TIP3 OH253090 3.121 3.797 1.653 + 1559TIP3 H153091 3.066 3.778 1.574 + 1559TIP3 H253092 3.134 3.893 1.638 + 1559TIP3 OH253093 2.668 4.180 2.432 + 1559TIP3 H153094 2.578 4.183 2.398 + 1559TIP3 H253095 2.716 4.135 2.361 + 1559TIP3 OH253096 1.523 4.095 1.457 + 1559TIP3 H153097 1.583 4.154 1.505 + 1559TIP3 H253098 1.438 4.113 1.503 + 1559TIP3 OH253099 1.548 3.566 2.769 + 1559TIP3 H153100 1.458 3.590 2.740 + 1559TIP3 H253101 1.534 3.478 2.807 + 1559TIP3 OH253102 1.699 -4.388 1.640 + 1559TIP3 H153103 1.610 -4.352 1.658 + 1559TIP3 H253104 1.746 -4.306 1.620 + 1559TIP3 OH253105 2.446 3.550 2.622 + 1559TIP3 H153106 2.509 3.572 2.693 + 1559TIP3 H253107 2.395 3.476 2.661 + 1560TIP3 OH253108 2.511 3.492 1.748 + 1560TIP3 H153109 2.527 3.545 1.668 + 1560TIP3 H253110 2.556 3.544 1.816 + 1560TIP3 OH253111 2.254 3.691 1.843 + 1560TIP3 H153112 2.329 3.752 1.858 + 1560TIP3 H253113 2.222 3.676 1.934 + 1560TIP3 OH253114 2.292 3.793 2.759 + 1560TIP3 H153115 2.297 3.841 2.843 + 1560TIP3 H253116 2.340 3.711 2.779 + 1560TIP3 OH253117 2.312 3.394 1.938 + 1560TIP3 H153118 2.290 3.465 2.001 + 1560TIP3 H253119 2.383 3.435 1.885 + 1560TIP3 OH253120 1.883 3.494 1.588 + 1560TIP3 H153121 1.885 3.570 1.649 + 1560TIP3 H253122 1.964 3.446 1.615 + 1560TIP3 OH253123 2.917 3.582 2.843 + 1560TIP3 H153124 2.821 3.597 2.829 + 1560TIP3 H253125 2.941 3.562 2.751 + 1560TIP3 OH253126 2.770 3.966 2.242 + 1560TIP3 H153127 2.685 3.924 2.222 + 1560TIP3 H253128 2.816 3.897 2.295 + 1560TIP3 OH253129 1.536 3.800 1.410 + 1560TIP3 H153130 1.551 3.894 1.427 + 1560TIP3 H253131 1.452 3.800 1.363 + 1560TIP3 OH253132 1.630 3.305 2.286 + 1560TIP3 H153133 1.613 3.302 2.190 + 1560TIP3 H253134 1.597 3.217 2.316 + 1560TIP3 OH253135 1.481 4.307 3.089 + 1560TIP3 H153136 1.460 4.212 3.097 + 1560TIP3 H253137 1.397 4.350 3.072 + 1561TIP3 OH253138 2.072 4.330 3.048 + 1561TIP3 H153139 2.075 4.349 2.952 + 1561TIP3 H253140 2.104 4.238 3.050 + 1561TIP3 OH253141 2.671 -4.374 2.822 + 1561TIP3 H153142 2.750 -4.332 2.784 + 1561TIP3 H253143 2.601 -4.314 2.793 + 1561TIP3 OH253144 1.538 4.024 3.070 + 1561TIP3 H153145 1.616 3.966 3.061 + 1561TIP3 H253146 1.540 4.044 3.165 + 1561TIP3 OH253147 1.995 4.161 1.575 + 1561TIP3 H153148 1.928 4.118 1.630 + 1561TIP3 H253149 2.010 4.094 1.505 + 1561TIP3 OH253150 1.913 3.935 2.808 + 1561TIP3 H153151 1.852 4.011 2.820 + 1561TIP3 H253152 1.971 3.968 2.737 + 1561TIP3 OH253153 2.078 3.957 1.398 + 1561TIP3 H153154 2.075 3.971 1.302 + 1561TIP3 H253155 2.174 3.957 1.415 + 1561TIP3 OH253156 2.441 4.218 3.160 + 1561TIP3 H153157 2.527 4.193 3.122 + 1561TIP3 H253158 2.403 4.133 3.182 + 1561TIP3 OH253159 3.011 4.189 1.320 + 1561TIP3 H153160 2.997 4.184 1.224 + 1561TIP3 H253161 3.010 4.285 1.339 + 1561TIP3 OH253162 1.969 3.664 2.915 + 1561TIP3 H153163 1.972 3.598 2.844 + 1561TIP3 H253164 1.946 3.745 2.865 + 1561TIP3 OH253165 2.000 3.511 2.661 + 1561TIP3 H153166 2.050 3.562 2.595 + 1561TIP3 H253167 1.908 3.513 2.624 + 1562TIP3 OH253168 2.151 4.069 2.690 + 1562TIP3 H153169 2.234 4.056 2.642 + 1562TIP3 H253170 2.118 4.152 2.653 + 1562TIP3 OH253171 2.614 3.851 3.174 + 1562TIP3 H153172 2.632 3.759 3.198 + 1562TIP3 H253173 2.703 3.888 3.173 + 1562TIP3 OH253174 2.710 4.138 3.015 + 1562TIP3 H153175 2.685 4.209 2.951 + 1562TIP3 H253176 2.800 4.117 2.984 + 1562TIP3 OH253177 1.783 3.850 3.095 + 1562TIP3 H153178 1.732 3.768 3.094 + 1562TIP3 H253179 1.864 3.823 3.049 + 1562TIP3 OH253180 2.073 3.244 2.695 + 1562TIP3 H153181 2.052 3.339 2.678 + 1562TIP3 H253182 2.005 3.199 2.642 + 1562TIP3 OH253183 2.200 3.700 3.073 + 1562TIP3 H153184 2.161 3.681 3.161 + 1562TIP3 H253185 2.121 3.682 3.018 + 1562TIP3 OH253186 2.451 3.608 2.962 + 1562TIP3 H153187 2.360 3.617 2.996 + 1562TIP3 H253188 2.488 3.543 3.022 + 1562TIP3 OH253189 2.654 3.426 3.153 + 1562TIP3 H153190 2.577 3.369 3.164 + 1562TIP3 H253191 2.631 3.500 3.215 + 1562TIP3 OH253192 1.655 3.594 3.079 + 1562TIP3 H153193 1.645 3.524 3.012 + 1562TIP3 H253194 1.632 3.546 3.160 + 1562TIP3 OH253195 2.058 3.193 2.977 + 1562TIP3 H153196 2.116 3.115 2.981 + 1562TIP3 H253197 2.052 3.206 2.881 + 1563TIP3 OH253198 2.154 3.381 3.160 + 1563TIP3 H153199 2.123 3.319 3.091 + 1563TIP3 H253200 2.082 3.445 3.164 + 1563TIP3 OH253201 3.090 4.364 1.762 + 1563TIP3 H153202 3.185 4.360 1.744 + 1563TIP3 H253203 3.072 4.279 1.806 + 1563TIP3 OH253204 3.126 4.132 1.924 + 1563TIP3 H153205 3.049 4.088 1.964 + 1563TIP3 H253206 3.185 4.148 2.000 + 1563TIP3 OH253207 3.144 4.094 1.576 + 1563TIP3 H153208 3.081 4.115 1.505 + 1563TIP3 H253209 3.130 4.167 1.637 + 1563TIP3 OH253210 2.973 3.842 1.410 + 1563TIP3 H153211 2.991 3.906 1.340 + 1563TIP3 H253212 2.947 3.762 1.361 + 1563TIP3 OH253213 2.901 3.965 2.000 + 1563TIP3 H153214 2.897 3.869 1.985 + 1563TIP3 H253215 2.864 3.973 2.090 + 1563TIP3 OH253216 1.389 4.193 2.385 + 1563TIP3 H153217 1.408 4.197 2.290 + 1563TIP3 H253218 1.475 4.166 2.421 + 1563TIP3 OH253219 2.986 4.161 2.922 + 1563TIP3 H153220 3.059 4.101 2.949 + 1563TIP3 H253221 3.030 4.244 2.897 + 1563TIP3 OH253222 3.129 3.963 3.037 + 1563TIP3 H153223 3.048 3.911 3.018 + 1563TIP3 H253224 3.197 3.893 3.036 + 1563TIP3 OH253225 2.916 3.578 1.329 + 1563TIP3 H153226 2.973 3.528 1.390 + 1563TIP3 H253227 2.836 3.525 1.322 + 1564TIP3 OH253228 2.899 3.706 1.827 + 1564TIP3 H153229 2.923 3.611 1.830 + 1564TIP3 H253230 2.979 3.742 1.784 + 1564TIP3 OH253231 2.921 3.764 2.368 + 1564TIP3 H153232 3.017 3.779 2.366 + 1564TIP3 H253233 2.904 3.770 2.464 + 1564TIP3 OH253234 2.940 3.837 2.652 + 1564TIP3 H153235 2.852 3.873 2.675 + 1564TIP3 H253236 2.988 3.918 2.627 + 1564TIP3 OH253237 1.385 3.717 3.020 + 1564TIP3 H153238 1.478 3.690 3.019 + 1564TIP3 H253239 1.340 3.630 3.024 + 1564TIP3 OH253240 3.164 3.236 3.166 + 1564TIP3 H153241 3.220 3.176 3.112 + 1564TIP3 H253242 3.172 3.319 3.115 + 1564TIP3 OH253243 2.945 3.427 1.822 + 1564TIP3 H153244 2.954 3.394 1.913 + 1564TIP3 H253245 2.865 3.378 1.792 + 1564TIP3 OH253246 1.461 3.546 2.300 + 1564TIP3 H153247 1.509 3.461 2.305 + 1564TIP3 H253248 1.530 3.607 2.332 + 1564TIP3 OH253249 1.317 3.813 2.401 + 1564TIP3 H153250 1.378 3.812 2.326 + 1564TIP3 H253251 1.348 3.892 2.448 + 1564TIP3 OH253252 3.137 3.463 3.004 + 1564TIP3 H153253 3.048 3.501 3.013 + 1564TIP3 H253254 3.119 3.400 2.931 + 1564TIP3 OH253255 3.142 3.474 1.491 + 1564TIP3 H153256 3.171 3.395 1.443 + 1564TIP3 H253257 3.222 3.528 1.494 + 1565TIP3 OH253258 1.367 3.448 1.807 + 1565TIP3 H153259 1.272 3.454 1.786 + 1565TIP3 H253260 1.407 3.509 1.742 + 1565TIP3 OH253261 1.371 3.342 2.625 + 1565TIP3 H153262 1.301 3.309 2.681 + 1565TIP3 H253263 1.321 3.387 2.555 + 1565TIP3 OH253264 3.011 3.268 2.829 + 1565TIP3 H153265 2.930 3.294 2.783 + 1565TIP3 H253266 3.032 3.182 2.786 + 1565TIP3 OH253267 2.361 3.429 2.250 + 1565TIP3 H153268 2.291 3.362 2.264 + 1565TIP3 H253269 2.418 3.384 2.187 + 1565TIP3 OH253270 2.855 3.235 2.296 + 1565TIP3 H153271 2.930 3.277 2.251 + 1565TIP3 H253272 2.780 3.259 2.239 + 1565TIP3 OH253273 3.064 3.341 2.083 + 1565TIP3 H153274 3.134 3.300 2.029 + 1565TIP3 H253275 3.095 3.434 2.090 + 1565TIP3 OH253276 1.595 3.300 2.005 + 1565TIP3 H153277 1.509 3.288 1.960 + 1565TIP3 H253278 1.637 3.213 1.989 + 1565TIP3 OH253279 1.477 3.250 1.592 + 1565TIP3 H153280 1.528 3.316 1.540 + 1565TIP3 H253281 1.436 3.305 1.661 + 1565TIP3 OH253282 2.042 3.286 1.991 + 1565TIP3 H153283 2.135 3.312 1.978 + 1565TIP3 H253284 2.039 3.274 2.087 + 1565TIP3 OH253285 2.604 3.287 2.134 + 1565TIP3 H153286 2.627 3.271 2.042 + 1565TIP3 H253287 2.562 3.202 2.158 + 1566TIP3 OH253288 2.713 3.288 1.731 + 1566TIP3 H153289 2.631 3.339 1.717 + 1566TIP3 H253290 2.678 3.198 1.745 + 1566TIP3 OH253291 1.647 3.432 1.435 + 1566TIP3 H153292 1.708 3.376 1.384 + 1566TIP3 H253293 1.707 3.465 1.505 + 1566TIP3 OH253294 2.157 3.451 1.696 + 1566TIP3 H153295 2.191 3.393 1.766 + 1566TIP3 H253296 2.177 3.538 1.735 + 1566TIP3 OH253297 1.574 3.325 2.958 + 1566TIP3 H153298 1.535 3.243 2.992 + 1566TIP3 H253299 1.667 3.312 2.981 + 1566TIP3 OH253300 1.816 3.264 3.132 + 1566TIP3 H153301 1.896 3.228 3.090 + 1566TIP3 H253302 1.778 3.184 3.172 + 1566TIP3 OH253303 2.708 3.147 3.145 + 1566TIP3 H153304 2.644 3.142 3.219 + 1566TIP3 H253305 2.703 3.239 3.115 + 1566TIP3 OH253306 4.195 4.093 2.349 + 1566TIP3 H153307 4.266 4.120 2.410 + 1566TIP3 H253308 4.238 4.094 2.264 + 1566TIP3 OH253309 3.509 4.083 2.502 + 1566TIP3 H153310 3.507 4.009 2.566 + 1566TIP3 H253311 3.584 4.134 2.536 + 1566TIP3 OH253312 3.279 3.884 1.893 + 1566TIP3 H153313 3.237 3.971 1.901 + 1566TIP3 H253314 3.209 3.832 1.852 + 1566TIP3 OH253315 3.368 4.126 2.081 + 1566TIP3 H153316 3.375 4.049 2.141 + 1566TIP3 H253317 3.452 4.119 2.035 + 1567TIP3 OH253318 3.739 3.605 2.160 + 1567TIP3 H153319 3.756 3.690 2.114 + 1567TIP3 H253320 3.708 3.552 2.084 + 1567TIP3 OH253321 3.422 3.869 2.210 + 1567TIP3 H153322 3.480 3.815 2.264 + 1567TIP3 H253323 3.431 3.826 2.123 + 1567TIP3 OH253324 3.954 4.014 2.152 + 1567TIP3 H153325 4.023 3.957 2.193 + 1567TIP3 H253326 3.901 3.947 2.104 + 1567TIP3 OH253327 3.893 4.266 2.548 + 1567TIP3 H153328 3.816 4.323 2.557 + 1567TIP3 H253329 3.964 4.333 2.547 + 1567TIP3 OH253330 3.588 3.660 2.385 + 1567TIP3 H153331 3.633 3.743 2.410 + 1567TIP3 H253332 3.634 3.636 2.301 + 1567TIP3 OH253333 4.005 3.247 2.289 + 1567TIP3 H153334 4.005 3.149 2.287 + 1567TIP3 H253335 3.927 3.263 2.343 + 1567TIP3 OH253336 4.268 4.123 1.745 + 1567TIP3 H153337 4.198 4.189 1.727 + 1567TIP3 H253338 4.327 4.142 1.672 + 1567TIP3 OH253339 4.286 3.954 1.477 + 1567TIP3 H153340 4.374 3.961 1.516 + 1567TIP3 H253341 4.297 3.895 1.402 + 1567TIP3 OH253342 3.759 4.204 2.047 + 1567TIP3 H153343 3.741 4.178 1.956 + 1567TIP3 H253344 3.840 4.154 2.067 + 1567TIP3 OH253345 3.809 4.073 2.382 + 1567TIP3 H153346 3.874 4.074 2.309 + 1567TIP3 H253347 3.846 4.142 2.441 + 1568TIP3 OH253348 3.596 4.147 2.773 + 1568TIP3 H153349 3.610 4.211 2.846 + 1568TIP3 H253350 3.499 4.142 2.772 + 1568TIP3 OH253351 3.647 4.088 1.796 + 1568TIP3 H153352 3.631 4.167 1.740 + 1568TIP3 H253353 3.583 4.025 1.761 + 1568TIP3 OH253354 3.244 4.311 2.675 + 1568TIP3 H153355 3.244 4.294 2.579 + 1568TIP3 H253356 3.276 4.226 2.711 + 1568TIP3 OH253357 4.231 3.284 2.793 + 1568TIP3 H153358 4.249 3.214 2.857 + 1568TIP3 H253359 4.139 3.263 2.767 + 1568TIP3 OH253360 4.234 3.561 1.467 + 1568TIP3 H153361 4.170 3.548 1.537 + 1568TIP3 H253362 4.202 3.498 1.401 + 1568TIP3 OH253363 3.764 3.824 2.511 + 1568TIP3 H153364 3.720 3.858 2.592 + 1568TIP3 H253365 3.791 3.909 2.469 + 1568TIP3 OH253366 3.775 3.831 1.998 + 1568TIP3 H153367 3.679 3.826 1.981 + 1568TIP3 H253368 3.810 3.817 1.908 + 1568TIP3 OH253369 4.270 3.891 1.949 + 1568TIP3 H153370 4.262 3.983 1.915 + 1568TIP3 H253371 4.364 3.883 1.969 + 1568TIP3 OH253372 3.521 3.838 2.686 + 1568TIP3 H153373 3.538 3.880 2.771 + 1568TIP3 H253374 3.478 3.755 2.713 + 1568TIP3 OH253375 3.863 3.605 1.351 + 1568TIP3 H153376 3.820 3.567 1.430 + 1568TIP3 H253377 3.788 3.621 1.293 + 1569TIP3 OH253378 3.201 3.593 2.059 + 1569TIP3 H153379 3.264 3.579 2.133 + 1569TIP3 H253380 3.247 3.553 1.983 + 1569TIP3 OH253381 3.361 3.635 1.630 + 1569TIP3 H153382 3.413 3.682 1.561 + 1569TIP3 H253383 3.289 3.698 1.645 + 1569TIP3 OH253384 4.313 3.984 2.605 + 1569TIP3 H153385 4.374 3.915 2.572 + 1569TIP3 H253386 4.270 3.933 2.676 + 1569TIP3 OH253387 4.049 3.574 2.102 + 1569TIP3 H153388 3.955 3.586 2.123 + 1569TIP3 H253389 4.090 3.601 2.186 + 1569TIP3 OH253390 3.507 3.717 1.970 + 1569TIP3 H153391 3.426 3.744 1.923 + 1569TIP3 H253392 3.535 3.638 1.920 + 1569TIP3 OH253393 3.874 3.747 1.732 + 1569TIP3 H153394 3.969 3.765 1.738 + 1569TIP3 H253395 3.843 3.808 1.662 + 1569TIP3 OH253396 3.722 3.876 1.513 + 1569TIP3 H153397 3.663 3.847 1.441 + 1569TIP3 H253398 3.803 3.893 1.464 + 1569TIP3 OH253399 3.608 4.315 2.980 + 1569TIP3 H153400 3.669 4.361 3.040 + 1569TIP3 H253401 3.530 4.305 3.038 + 1569TIP3 OH253402 4.127 3.798 2.267 + 1569TIP3 H153403 4.205 3.790 2.210 + 1569TIP3 H253404 4.172 3.802 2.354 + 1569TIP3 OH253405 3.684 3.487 1.905 + 1569TIP3 H153406 3.627 3.409 1.916 + 1569TIP3 H253407 3.760 3.451 1.857 + 1570TIP3 OH253408 4.015 3.653 2.552 + 1570TIP3 H153409 3.977 3.729 2.506 + 1570TIP3 H253410 4.094 3.694 2.591 + 1570TIP3 OH253411 4.072 4.327 1.709 + 1570TIP3 H153412 3.997 4.289 1.658 + 1570TIP3 H253413 4.039 4.325 1.800 + 1570TIP3 OH253414 3.595 4.239 2.258 + 1570TIP3 H153415 3.663 4.237 2.187 + 1570TIP3 H253416 3.622 4.163 2.311 + 1570TIP3 OH253417 3.311 4.080 2.801 + 1570TIP3 H153418 3.319 4.042 2.891 + 1570TIP3 H253419 3.236 4.031 2.763 + 1570TIP3 OH253420 4.000 4.015 3.011 + 1570TIP3 H153421 3.974 4.021 2.918 + 1570TIP3 H253422 4.090 4.054 3.005 + 1570TIP3 OH253423 3.409 4.093 1.458 + 1570TIP3 H153424 3.467 4.155 1.505 + 1570TIP3 H253425 3.323 4.111 1.502 + 1570TIP3 OH253426 3.461 3.552 2.739 + 1570TIP3 H153427 3.370 3.580 2.719 + 1570TIP3 H253428 3.442 3.471 2.791 + 1570TIP3 OH253429 3.586 -4.386 1.644 + 1570TIP3 H153430 3.494 -4.353 1.655 + 1570TIP3 H253431 3.630 -4.305 1.615 + 1570TIP3 OH253432 4.323 3.592 2.671 + 1570TIP3 H153433 4.395 3.534 2.696 + 1570TIP3 H253434 4.267 3.534 2.619 + 1570TIP3 OH253435 4.142 3.680 1.842 + 1570TIP3 H153436 4.200 3.754 1.871 + 1570TIP3 H253437 4.103 3.659 1.929 + 1571TIP3 OH253438 4.176 3.796 2.779 + 1571TIP3 H153439 4.194 3.830 2.868 + 1571TIP3 H253440 4.244 3.726 2.771 + 1571TIP3 OH253441 4.195 3.388 1.964 + 1571TIP3 H153442 4.166 3.469 2.011 + 1571TIP3 H253443 4.272 3.421 1.913 + 1571TIP3 OH253444 3.767 3.494 1.589 + 1571TIP3 H153445 3.772 3.573 1.646 + 1571TIP3 H253446 3.849 3.447 1.612 + 1571TIP3 OH253447 3.421 3.800 1.412 + 1571TIP3 H153448 3.435 3.895 1.427 + 1571TIP3 H253449 3.339 3.799 1.361 + 1571TIP3 OH253450 3.560 3.309 2.309 + 1571TIP3 H153451 3.549 3.318 2.213 + 1571TIP3 H253452 3.512 3.226 2.327 + 1571TIP3 OH253453 3.364 4.307 3.097 + 1571TIP3 H153454 3.345 4.211 3.094 + 1571TIP3 H253455 3.284 4.348 3.061 + 1571TIP3 OH253456 3.948 4.324 3.049 + 1571TIP3 H153457 3.957 4.344 2.954 + 1571TIP3 H253458 4.015 4.253 3.058 + 1571TIP3 OH253459 3.424 4.025 3.064 + 1571TIP3 H153460 3.496 3.961 3.058 + 1571TIP3 H253461 3.424 4.046 3.159 + 1571TIP3 OH253462 3.877 4.163 1.580 + 1571TIP3 H153463 3.811 4.114 1.630 + 1571TIP3 H253464 3.899 4.100 1.509 + 1571TIP3 OH253465 3.793 3.928 2.794 + 1571TIP3 H153466 3.743 4.008 2.819 + 1571TIP3 H253467 3.863 3.967 2.738 + 1572TIP3 OH253468 3.977 3.955 1.401 + 1572TIP3 H153469 3.971 3.967 1.304 + 1572TIP3 H253470 4.072 3.970 1.416 + 1572TIP3 OH253471 3.833 3.640 2.862 + 1572TIP3 H153472 3.912 3.608 2.818 + 1572TIP3 H253473 3.839 3.737 2.849 + 1572TIP3 OH253474 4.037 4.051 2.670 + 1572TIP3 H153475 4.126 4.045 2.629 + 1572TIP3 H253476 4.016 4.144 2.652 + 1572TIP3 OH253477 3.682 3.834 3.104 + 1572TIP3 H153478 3.625 3.757 3.085 + 1572TIP3 H253479 3.754 3.823 3.040 + 1572TIP3 OH253480 3.950 3.283 2.711 + 1572TIP3 H153481 3.950 3.370 2.673 + 1572TIP3 H253482 3.894 3.232 2.648 + 1572TIP3 OH253483 4.112 3.704 3.077 + 1572TIP3 H153484 4.080 3.674 3.163 + 1572TIP3 H253485 4.037 3.690 3.020 + 1572TIP3 OH253486 3.531 3.594 3.069 + 1572TIP3 H153487 3.524 3.516 3.010 + 1572TIP3 H253488 3.513 3.554 3.156 + 1572TIP3 OH253489 3.970 3.201 3.013 + 1572TIP3 H153490 4.040 3.133 3.001 + 1572TIP3 H253491 3.962 3.232 2.921 + 1572TIP3 OH253492 3.273 4.188 2.396 + 1572TIP3 H153493 3.281 4.203 2.301 + 1572TIP3 H253494 3.364 4.161 2.421 + 1572TIP3 OH253495 3.279 3.717 3.008 + 1572TIP3 H153496 3.371 3.688 3.023 + 1572TIP3 H253497 3.232 3.632 3.016 + 1573TIP3 OH253498 3.353 3.530 2.292 + 1573TIP3 H153499 3.402 3.447 2.302 + 1573TIP3 H253500 3.411 3.591 2.339 + 1573TIP3 OH253501 3.209 3.811 2.403 + 1573TIP3 H153502 3.262 3.816 2.321 + 1573TIP3 H253503 3.236 3.892 2.448 + 1573TIP3 OH253504 3.252 3.452 1.812 + 1573TIP3 H153505 3.158 3.452 1.788 + 1573TIP3 H253506 3.292 3.509 1.743 + 1573TIP3 OH253507 3.243 3.329 2.631 + 1573TIP3 H153508 3.169 3.303 2.688 + 1573TIP3 H253509 3.197 3.384 2.565 + 1573TIP3 OH253510 4.260 3.378 2.264 + 1573TIP3 H153511 4.167 3.353 2.258 + 1573TIP3 H253512 4.291 3.367 2.173 + 1573TIP3 OH253513 3.483 3.302 2.018 + 1573TIP3 H153514 3.397 3.295 1.973 + 1573TIP3 H253515 3.521 3.214 2.000 + 1573TIP3 OH253516 3.365 3.249 1.593 + 1573TIP3 H153517 3.413 3.315 1.540 + 1573TIP3 H253518 3.320 3.304 1.659 + 1573TIP3 OH253519 3.933 3.283 1.992 + 1573TIP3 H153520 4.026 3.313 1.982 + 1573TIP3 H253521 3.928 3.274 2.088 + 1573TIP3 OH253522 3.532 3.431 1.436 + 1573TIP3 H153523 3.593 3.377 1.382 + 1573TIP3 H253524 3.592 3.465 1.504 + 1573TIP3 OH253525 4.068 3.452 1.692 + 1573TIP3 H153526 4.065 3.390 1.767 + 1573TIP3 H253527 4.060 3.538 1.736 + 1574TIP3 OH253528 3.461 3.330 2.961 + 1574TIP3 H153529 3.417 3.248 2.988 + 1574TIP3 H253530 3.554 3.308 2.973 + 1574TIP3 OH253531 3.719 3.255 3.155 + 1574TIP3 H153532 3.780 3.226 3.085 + 1574TIP3 H253533 3.659 3.178 3.164 + 1574TIP3 OH253534 -3.200 -3.411 3.983 + 1574TIP3 H153535 -3.173 -3.324 4.015 + 1574TIP3 H253536 -3.242 -3.389 3.898 + 1574TIP3 OH253537 -3.279 -3.426 4.259 + 1574TIP3 H153538 -3.279 -3.506 4.315 + 1574TIP3 H253539 -3.274 -3.463 4.169 + 1574TIP3 OH253540 -2.925 -3.153 4.036 + 1574TIP3 H153541 -2.960 -3.220 4.098 + 1574TIP3 H253542 -2.878 -3.099 4.102 + 1574TIP3 OH253543 -3.952 -3.005 4.244 + 1574TIP3 H153544 -3.990 -3.092 4.224 + 1574TIP3 H253545 -3.858 -3.029 4.255 + 1574TIP3 OH253546 -4.187 -3.570 3.683 + 1574TIP3 H153547 -4.216 -3.513 3.757 + 1574TIP3 H253548 -4.215 -3.656 3.713 + 1574TIP3 OH253549 -4.198 -3.442 3.936 + 1574TIP3 H153550 -4.195 -3.479 4.025 + 1574TIP3 H253551 -4.118 -3.389 3.934 + 1574TIP3 OH253552 -3.213 -2.613 4.110 + 1574TIP3 H153553 -3.148 -2.678 4.079 + 1574TIP3 H253554 -3.233 -2.643 4.200 + 1574TIP3 OH253555 -3.477 -3.202 4.275 + 1574TIP3 H153556 -3.432 -3.273 4.226 + 1574TIP3 H253557 -3.398 -3.167 4.321 + 1575TIP3 OH253558 -3.118 -3.724 4.321 + 1575TIP3 H153559 -3.077 -3.809 4.344 + 1575TIP3 H253560 -3.112 -3.722 4.224 + 1575TIP3 OH253561 -3.811 -3.940 4.041 + 1575TIP3 H153562 -3.789 -3.856 3.998 + 1575TIP3 H253563 -3.839 -3.993 3.964 + 1575TIP3 OH253564 -3.013 -3.917 3.874 + 1575TIP3 H153565 -2.955 -3.964 3.939 + 1575TIP3 H253566 -2.946 -3.877 3.816 + 1575TIP3 OH253567 -4.117 -3.673 4.109 + 1575TIP3 H153568 -4.075 -3.737 4.167 + 1575TIP3 H253569 -4.110 -3.717 4.023 + 1575TIP3 OH253570 -3.603 -3.531 4.056 + 1575TIP3 H153571 -3.526 -3.584 4.082 + 1575TIP3 H253572 -3.647 -3.591 3.992 + 1575TIP3 OH253573 -3.172 -3.080 3.796 + 1575TIP3 H153574 -3.200 -3.109 3.709 + 1575TIP3 H253575 -3.219 -2.997 3.809 + 1575TIP3 OH253576 -2.829 -4.012 4.072 + 1575TIP3 H153577 -2.864 -4.066 4.144 + 1575TIP3 H253578 -2.777 -3.949 4.124 + 1575TIP3 OH253579 -3.878 -3.848 4.297 + 1575TIP3 H153580 -3.903 -3.756 4.281 + 1575TIP3 H253581 -3.887 -3.890 4.209 + 1575TIP3 OH253582 -4.182 -3.118 3.628 + 1575TIP3 H153583 -4.265 -3.102 3.578 + 1575TIP3 H253584 -4.191 -3.058 3.704 + 1575TIP3 OH253585 -2.823 -3.058 4.264 + 1575TIP3 H153586 -2.890 -3.058 4.335 + 1575TIP3 H253587 -2.756 -2.999 4.300 + 1576TIP3 OH253588 -3.518 4.379 4.169 + 1576TIP3 H153589 -3.507 4.287 4.194 + 1576TIP3 H253590 -3.589 4.410 4.228 + 1576TIP3 OH253591 -3.024 -2.777 3.965 + 1576TIP3 H153592 -2.973 -2.855 3.934 + 1576TIP3 H253593 -2.958 -2.707 3.951 + 1576TIP3 OH253594 -2.873 -2.987 3.824 + 1576TIP3 H153595 -2.918 -3.034 3.752 + 1576TIP3 H253596 -2.884 -3.052 3.897 + 1576TIP3 OH253597 -3.299 -3.406 3.639 + 1576TIP3 H153598 -3.365 -3.358 3.586 + 1576TIP3 H253599 -3.224 -3.410 3.577 + 1576TIP3 OH253600 -3.267 -3.594 3.348 + 1576TIP3 H153601 -3.196 -3.564 3.407 + 1576TIP3 H253602 -3.218 -3.654 3.289 + 1576TIP3 OH253603 -2.945 -3.416 3.749 + 1576TIP3 H153604 -3.005 -3.389 3.820 + 1576TIP3 H253605 -2.882 -3.471 3.798 + 1576TIP3 OH253606 -3.776 -3.332 3.921 + 1576TIP3 H153607 -3.818 -3.378 3.846 + 1576TIP3 H253608 -3.723 -3.402 3.962 + 1576TIP3 OH253609 -3.674 -3.010 4.154 + 1576TIP3 H153610 -3.663 -3.059 4.073 + 1576TIP3 H253611 -3.598 -3.038 4.206 + 1576TIP3 OH253612 -3.766 -3.450 4.270 + 1576TIP3 H153613 -3.698 -3.467 4.202 + 1576TIP3 H253614 -3.712 -3.429 4.348 + 1576TIP3 OH253615 -3.051 -3.468 3.495 + 1576TIP3 H153616 -3.001 -3.443 3.576 + 1576TIP3 H253617 -3.000 -3.419 3.426 + 1577TIP3 OH253618 -3.304 -2.800 3.830 + 1577TIP3 H153619 -3.253 -2.795 3.913 + 1577TIP3 H253620 -3.369 -2.729 3.841 + 1577TIP3 OH253621 -2.730 -4.321 3.415 + 1577TIP3 H153622 -2.773 -4.324 3.502 + 1577TIP3 H253623 -2.651 -4.270 3.438 + 1577TIP3 OH253624 -3.893 -3.464 3.678 + 1577TIP3 H153625 -3.919 -3.388 3.624 + 1577TIP3 H253626 -3.968 -3.524 3.664 + 1577TIP3 OH253627 -2.565 -2.882 3.295 + 1577TIP3 H153628 -2.548 -2.788 3.319 + 1577TIP3 H253629 -2.479 -2.923 3.317 + 1577TIP3 OH253630 -4.286 -2.899 4.214 + 1577TIP3 H153631 -4.210 -2.950 4.245 + 1577TIP3 H253632 -4.308 -2.852 4.295 + 1577TIP3 OH253633 -3.373 -2.514 3.630 + 1577TIP3 H153634 -3.282 -2.526 3.599 + 1577TIP3 H253635 -3.356 -2.463 3.711 + 1577TIP3 OH253636 -3.974 -2.628 3.861 + 1577TIP3 H153637 -3.950 -2.668 3.948 + 1577TIP3 H253638 -4.055 -2.678 3.842 + 1577TIP3 OH253639 -3.060 -2.617 3.419 + 1577TIP3 H153640 -3.002 -2.668 3.359 + 1577TIP3 H253641 -3.029 -2.650 3.504 + 1577TIP3 OH253642 -3.127 -2.611 3.734 + 1577TIP3 H153643 -3.206 -2.667 3.736 + 1577TIP3 H253644 -3.061 -2.678 3.759 + 1577TIP3 OH253645 -3.773 -4.211 4.298 + 1577TIP3 H153646 -3.844 -4.212 4.232 + 1577TIP3 H253647 -3.749 -4.117 4.306 + 1578TIP3 OH253648 -2.895 -3.362 3.296 + 1578TIP3 H153649 -2.914 -3.379 3.201 + 1578TIP3 H253650 -2.801 -3.337 3.290 + 1578TIP3 OH253651 -3.329 -3.993 3.341 + 1578TIP3 H153652 -3.382 -4.005 3.422 + 1578TIP3 H253653 -3.378 -4.053 3.281 + 1578TIP3 OH253654 -3.767 -3.706 3.884 + 1578TIP3 H153655 -3.862 -3.712 3.866 + 1578TIP3 H253656 -3.731 -3.727 3.795 + 1578TIP3 OH253657 -3.204 -3.647 3.761 + 1578TIP3 H153658 -3.247 -3.567 3.726 + 1578TIP3 H253659 -3.138 -3.666 3.693 + 1578TIP3 OH253660 -3.126 -3.712 4.044 + 1578TIP3 H153661 -3.156 -3.652 3.974 + 1578TIP3 H253662 -3.104 -3.791 3.991 + 1578TIP3 OH253663 -3.691 -3.937 3.238 + 1578TIP3 H153664 -3.724 -3.979 3.319 + 1578TIP3 H253665 -3.769 -3.928 3.183 + 1578TIP3 OH253666 -4.323 -3.942 3.933 + 1578TIP3 H153667 -4.301 -3.961 4.026 + 1578TIP3 H253668 -4.285 -4.018 3.887 + 1578TIP3 OH253669 -4.214 -3.881 3.533 + 1578TIP3 H153670 -4.152 -3.864 3.459 + 1578TIP3 H253671 -4.298 -3.859 3.492 + 1578TIP3 OH253672 -3.497 -3.940 3.983 + 1578TIP3 H153673 -3.589 -3.960 4.005 + 1578TIP3 H253674 -3.450 -3.974 4.060 + 1578TIP3 OH253675 -4.037 -3.822 3.847 + 1578TIP3 H153676 -4.122 -3.821 3.803 + 1578TIP3 H253677 -3.999 -3.906 3.814 + 1579TIP3 OH253678 -3.672 -3.790 3.623 + 1579TIP3 H153679 -3.575 -3.787 3.627 + 1579TIP3 H253680 -3.694 -3.731 3.550 + 1579TIP3 OH253681 -3.055 -4.072 4.270 + 1579TIP3 H153682 -3.088 -4.047 4.358 + 1579TIP3 H253683 -3.137 -4.076 4.218 + 1579TIP3 OH253684 -3.825 -3.666 3.397 + 1579TIP3 H153685 -3.883 -3.699 3.326 + 1579TIP3 H253686 -3.743 -3.650 3.347 + 1579TIP3 OH253687 -3.403 -3.707 4.193 + 1579TIP3 H153688 -3.331 -3.737 4.135 + 1579TIP3 H253689 -3.398 -3.773 4.264 + 1579TIP3 OH253690 -3.879 -4.060 3.791 + 1579TIP3 H153691 -3.920 -4.147 3.805 + 1579TIP3 H253692 -3.793 -4.084 3.754 + 1579TIP3 OH253693 -3.492 -3.191 3.576 + 1579TIP3 H153694 -3.559 -3.254 3.542 + 1579TIP3 H253695 -3.497 -3.205 3.673 + 1579TIP3 OH253696 -3.061 -3.930 3.343 + 1579TIP3 H153697 -3.159 -3.939 3.347 + 1579TIP3 H253698 -3.043 -3.863 3.411 + 1579TIP3 OH253699 -2.996 -3.748 3.559 + 1579TIP3 H153700 -2.910 -3.764 3.603 + 1579TIP3 H253701 -2.983 -3.661 3.519 + 1579TIP3 OH253702 -3.968 -3.309 4.153 + 1579TIP3 H153703 -3.902 -3.291 4.084 + 1579TIP3 H253704 -3.918 -3.371 4.210 + 1579TIP3 OH253705 -3.249 -3.054 3.471 + 1579TIP3 H153706 -3.272 -2.975 3.522 + 1579TIP3 H253707 -3.315 -3.118 3.501 + 1580TIP3 OH253708 -2.534 -3.745 3.539 + 1580TIP3 H153709 -2.590 -3.766 3.461 + 1580TIP3 H253710 -2.522 -3.649 3.525 + 1580TIP3 OH253711 -2.732 -2.905 3.529 + 1580TIP3 H153712 -2.729 -2.966 3.604 + 1580TIP3 H253713 -2.651 -2.924 3.480 + 1580TIP3 OH253714 -3.015 -3.328 4.241 + 1580TIP3 H153715 -3.094 -3.372 4.277 + 1580TIP3 H253716 -2.965 -3.404 4.206 + 1580TIP3 OH253717 -3.724 -2.937 3.866 + 1580TIP3 H153718 -3.687 -2.847 3.866 + 1580TIP3 H253719 -3.819 -2.920 3.868 + 1580TIP3 OH253720 -4.153 -3.445 3.356 + 1580TIP3 H153721 -4.082 -3.394 3.399 + 1580TIP3 H253722 -4.229 -3.390 3.379 + 1580TIP3 OH253723 -3.543 -3.167 3.866 + 1580TIP3 H153724 -3.586 -3.079 3.864 + 1580TIP3 H253725 -3.617 -3.224 3.893 + 1580TIP3 OH253726 -3.676 -2.661 3.786 + 1580TIP3 H153727 -3.772 -2.648 3.786 + 1580TIP3 H253728 -3.645 -2.572 3.813 + 1580TIP3 OH253729 -2.972 -3.038 3.335 + 1580TIP3 H153730 -2.924 -3.078 3.409 + 1580TIP3 H253731 -3.063 -3.052 3.366 + 1580TIP3 OH253732 -2.491 -2.618 3.379 + 1580TIP3 H153733 -2.421 -2.551 3.367 + 1580TIP3 H253734 -2.568 -2.560 3.389 + 1580TIP3 OH253735 -2.876 -3.182 3.577 + 1580TIP3 H153736 -2.895 -3.257 3.636 + 1580TIP3 H253737 -2.779 -3.179 3.579 + 1581TIP3 OH253738 -3.542 -2.931 3.196 + 1581TIP3 H153739 -3.510 -3.005 3.142 + 1581TIP3 H253740 -3.583 -2.979 3.270 + 1581TIP3 OH253741 -3.653 -2.947 3.478 + 1581TIP3 H153742 -3.619 -3.026 3.523 + 1581TIP3 H253743 -3.635 -2.878 3.543 + 1581TIP3 OH253744 -3.986 -3.243 3.499 + 1581TIP3 H153745 -4.057 -3.205 3.556 + 1581TIP3 H253746 -3.940 -3.161 3.476 + 1581TIP3 OH253747 -3.136 -4.057 3.631 + 1581TIP3 H153748 -3.128 -3.997 3.555 + 1581TIP3 H253749 -3.099 -4.003 3.703 + 1581TIP3 OH253750 -3.404 -3.848 3.731 + 1581TIP3 H153751 -3.327 -3.790 3.747 + 1581TIP3 H253752 -3.434 -3.869 3.822 + 1581TIP3 OH253753 -3.341 -4.172 3.824 + 1581TIP3 H153754 -3.360 -4.100 3.886 + 1581TIP3 H253755 -3.275 -4.131 3.765 + 1581TIP3 OH253756 -3.776 -4.051 3.483 + 1581TIP3 H153757 -3.770 -3.968 3.533 + 1581TIP3 H253758 -3.689 -4.089 3.504 + 1581TIP3 OH253759 -2.895 -3.570 4.141 + 1581TIP3 H153760 -2.974 -3.618 4.109 + 1581TIP3 H253761 -2.840 -3.646 4.172 + 1581TIP3 OH253762 -3.923 -2.959 3.383 + 1581TIP3 H153763 -3.842 -2.923 3.422 + 1581TIP3 H253764 -3.886 -3.016 3.314 + 1581TIP3 OH253765 -4.115 -3.747 3.299 + 1581TIP3 H153766 -4.108 -3.652 3.317 + 1581TIP3 H253767 -4.192 -3.755 3.241 + 1582TIP3 OH253768 -2.794 -2.615 4.366 + 1582TIP3 H153769 -2.814 -2.547 4.299 + 1582TIP3 H253770 -2.702 -2.630 4.341 + 1582TIP3 OH253771 -4.087 -4.238 4.182 + 1582TIP3 H153772 -4.064 -4.248 4.089 + 1582TIP3 H253773 -4.086 -4.331 4.212 + 1582TIP3 OH253774 -4.135 -2.879 3.797 + 1582TIP3 H153775 -4.227 -2.849 3.807 + 1582TIP3 H253776 -4.109 -2.838 3.714 + 1582TIP3 OH253777 -3.345 -2.743 3.266 + 1582TIP3 H153778 -3.399 -2.821 3.243 + 1582TIP3 H253779 -3.256 -2.777 3.246 + 1582TIP3 OH253780 -2.869 -2.767 3.260 + 1582TIP3 H153781 -2.849 -2.841 3.320 + 1582TIP3 H253782 -2.788 -2.762 3.208 + 1582TIP3 OH253783 -3.777 -3.185 3.234 + 1582TIP3 H153784 -3.763 -3.253 3.302 + 1582TIP3 H253785 -3.695 -3.195 3.181 + 1582TIP3 OH253786 -3.262 -3.059 3.189 + 1582TIP3 H153787 -3.258 -3.062 3.286 + 1582TIP3 H253788 -3.260 -3.155 3.168 + 1582TIP3 OH253789 -3.671 -3.384 3.462 + 1582TIP3 H153790 -3.734 -3.435 3.517 + 1582TIP3 H253791 -3.642 -3.453 3.398 + 1582TIP3 OH253792 -3.576 -3.581 3.287 + 1582TIP3 H153793 -3.579 -3.576 3.190 + 1582TIP3 H253794 -3.480 -3.589 3.302 + 1582TIP3 OH253795 -2.626 -3.331 3.220 + 1582TIP3 H153796 -2.635 -3.373 3.132 + 1582TIP3 H253797 -2.634 -3.237 3.195 + 1583TIP3 OH253798 -4.196 -2.970 3.303 + 1583TIP3 H153799 -4.126 -2.979 3.370 + 1583TIP3 H253800 -4.221 -3.062 3.285 + 1583TIP3 OH253801 -4.271 -2.692 4.018 + 1583TIP3 H153802 -4.275 -2.783 4.055 + 1583TIP3 H253803 -4.246 -2.645 4.099 + 1583TIP3 OH253804 -2.518 -2.550 4.290 + 1583TIP3 H153805 -2.505 -2.588 4.379 + 1583TIP3 H253806 -2.427 -2.552 4.259 + 1583TIP3 OH253807 -2.587 -3.193 3.615 + 1583TIP3 H153808 -2.496 -3.161 3.629 + 1583TIP3 H253809 -2.592 -3.258 3.688 + 1583TIP3 OH253810 -2.539 -3.397 3.813 + 1583TIP3 H153811 -2.605 -3.455 3.856 + 1583TIP3 H253812 -2.469 -3.389 3.881 + 1583TIP3 OH253813 -2.564 -3.191 4.355 + 1583TIP3 H153814 -2.501 -3.228 4.292 + 1583TIP3 H253815 -2.566 -3.096 4.332 + 1583TIP3 OH253816 -2.516 -3.455 3.469 + 1583TIP3 H153817 -2.566 -3.425 3.391 + 1583TIP3 H253818 -2.526 -3.379 3.529 + 1583TIP3 OH253819 -2.690 -3.697 3.294 + 1583TIP3 H153820 -2.660 -3.638 3.223 + 1583TIP3 H253821 -2.712 -3.779 3.245 + 1583TIP3 OH253822 -2.752 -3.583 3.892 + 1583TIP3 H153823 -2.754 -3.678 3.875 + 1583TIP3 H253824 -2.785 -3.578 3.984 + 1583TIP3 OH253825 -4.217 -3.301 4.316 + 1583TIP3 H153826 -4.268 -3.330 4.238 + 1583TIP3 H253827 -4.145 -3.365 4.318 + 1584TIP3 OH253828 -2.746 -3.968 3.212 + 1584TIP3 H153829 -2.685 -4.012 3.274 + 1584TIP3 H253830 -2.827 -4.019 3.221 + 1584TIP3 OH253831 -2.763 -3.827 3.711 + 1584TIP3 H153832 -2.747 -3.924 3.718 + 1584TIP3 H253833 -2.681 -3.798 3.669 + 1584TIP3 OH253834 -2.741 -3.775 4.218 + 1584TIP3 H153835 -2.645 -3.774 4.233 + 1584TIP3 H253836 -2.775 -3.783 4.309 + 1584TIP3 OH253837 -2.733 -4.099 3.720 + 1584TIP3 H153838 -2.710 -4.149 3.799 + 1584TIP3 H253839 -2.795 -4.160 3.676 + 1584TIP3 OH253840 -4.169 -3.973 4.191 + 1584TIP3 H153841 -4.164 -4.070 4.200 + 1584TIP3 H253842 -4.113 -3.947 4.265 + 1584TIP3 OH253843 -4.343 -3.712 4.318 + 1584TIP3 H153844 -4.309 -3.759 4.240 + 1584TIP3 H253845 -4.299 -3.627 4.310 + 1584TIP3 OH253846 -2.520 -4.056 3.378 + 1584TIP3 H153847 -2.502 -4.142 3.336 + 1584TIP3 H253848 -2.433 -4.015 3.383 + 1584TIP3 OH253849 -4.314 -4.107 3.654 + 1584TIP3 H153850 -4.397 -4.078 3.616 + 1584TIP3 H253851 -4.253 -4.037 3.620 + 1584TIP3 OH253852 -2.812 -2.573 3.911 + 1584TIP3 H153853 -2.744 -2.637 3.890 + 1584TIP3 H253854 -2.770 -2.525 3.986 + 1584TIP3 OH253855 -4.152 -2.643 4.266 + 1584TIP3 H153856 -4.132 -2.660 4.360 + 1584TIP3 H253857 -4.067 -2.666 4.226 + 1585TIP3 OH253858 -3.909 -2.750 4.116 + 1585TIP3 H153859 -3.926 -2.841 4.146 + 1585TIP3 H253860 -3.820 -2.734 4.152 + 1585TIP3 OH253861 -3.626 -2.702 4.212 + 1585TIP3 H153862 -3.611 -2.792 4.180 + 1585TIP3 H253863 -3.630 -2.718 4.307 + 1585TIP3 OH253864 -3.302 -4.109 4.127 + 1585TIP3 H153865 -3.364 -4.181 4.152 + 1585TIP3 H253866 -3.235 -4.159 4.077 + 1585TIP3 OH253867 -2.770 -4.349 4.151 + 1585TIP3 H153868 -2.715 -4.281 4.110 + 1585TIP3 H253869 -2.857 -4.309 4.160 + 1585TIP3 OH253870 -2.577 -4.221 3.956 + 1585TIP3 H153871 -2.519 -4.244 3.883 + 1585TIP3 H253872 -2.556 -4.127 3.970 + 1585TIP3 OH253873 -4.076 -4.280 3.872 + 1585TIP3 H153874 -4.159 -4.316 3.837 + 1585TIP3 H253875 -4.023 -4.360 3.886 + 1585TIP3 OH253876 -4.205 -4.301 3.475 + 1585TIP3 H153877 -4.172 -4.238 3.409 + 1585TIP3 H253878 -4.257 -4.242 3.533 + 1585TIP3 OH253879 -3.617 -4.230 3.891 + 1585TIP3 H153880 -3.523 -4.232 3.867 + 1585TIP3 H253881 -3.620 -4.290 3.967 + 1585TIP3 OH253882 -3.085 -4.269 4.012 + 1585TIP3 H153883 -3.019 -4.271 3.941 + 1585TIP3 H253884 -3.060 -4.346 4.067 + 1585TIP3 OH253885 -2.949 -4.272 3.620 + 1585TIP3 H153886 -3.025 -4.214 3.603 + 1585TIP3 H253887 -2.989 -4.360 3.624 + 1586TIP3 OH253888 -4.182 -2.692 3.567 + 1586TIP3 H153889 -4.253 -2.711 3.505 + 1586TIP3 H253890 -4.186 -2.595 3.572 + 1586TIP3 OH253891 -4.009 -4.112 3.332 + 1586TIP3 H153892 -3.947 -4.157 3.273 + 1586TIP3 H253893 -3.947 -4.071 3.395 + 1586TIP3 OH253894 -3.492 -4.059 3.561 + 1586TIP3 H153895 -3.481 -4.143 3.609 + 1586TIP3 H253896 -3.471 -3.992 3.629 + 1586TIP3 OH253897 -2.602 -2.606 3.652 + 1586TIP3 H153898 -2.654 -2.683 3.623 + 1586TIP3 H253899 -2.629 -2.541 3.586 + 1586TIP3 OH253900 -4.006 -2.590 3.271 + 1586TIP3 H153901 -4.048 -2.573 3.357 + 1586TIP3 H253902 -3.951 -2.667 3.291 + 1586TIP3 OH253903 -1.280 -3.365 3.928 + 1586TIP3 H153904 -1.283 -3.268 3.925 + 1586TIP3 H253905 -1.346 -3.389 3.861 + 1586TIP3 OH253906 -1.390 -3.425 4.249 + 1586TIP3 H153907 -1.388 -3.505 4.305 + 1586TIP3 H253908 -1.396 -3.464 4.160 + 1586TIP3 OH253909 -0.961 -3.164 4.025 + 1586TIP3 H153910 -1.013 -3.233 4.069 + 1586TIP3 H253911 -0.947 -3.104 4.101 + 1586TIP3 OH253912 -2.076 -3.014 4.261 + 1586TIP3 H153913 -2.098 -3.103 4.231 + 1586TIP3 H253914 -1.979 -3.018 4.254 + 1586TIP3 OH253915 -2.378 -3.663 3.778 + 1586TIP3 H153916 -2.414 -3.573 3.789 + 1586TIP3 H253917 -2.452 -3.708 3.736 + 1587TIP3 OH253918 -2.303 -3.424 3.969 + 1587TIP3 H153919 -2.280 -3.497 4.030 + 1587TIP3 H253920 -2.217 -3.405 3.930 + 1587TIP3 OH253921 -1.318 -2.608 4.113 + 1587TIP3 H153922 -1.258 -2.679 4.084 + 1587TIP3 H253923 -1.353 -2.640 4.197 + 1587TIP3 OH253924 -1.595 -3.226 4.326 + 1587TIP3 H153925 -1.537 -3.262 4.257 + 1587TIP3 H253926 -1.616 -3.304 4.377 + 1587TIP3 OH253927 -1.234 -3.728 4.317 + 1587TIP3 H153928 -1.189 -3.812 4.340 + 1587TIP3 H253929 -1.222 -3.725 4.220 + 1587TIP3 OH253930 -1.928 -3.941 4.042 + 1587TIP3 H153931 -1.904 -3.857 4.000 + 1587TIP3 H253932 -1.959 -3.990 3.963 + 1587TIP3 OH253933 -2.225 -3.675 4.101 + 1587TIP3 H153934 -2.178 -3.738 4.155 + 1587TIP3 H253935 -2.221 -3.718 4.013 + 1587TIP3 OH253936 -1.715 -3.531 4.057 + 1587TIP3 H153937 -1.637 -3.586 4.080 + 1587TIP3 H253938 -1.759 -3.589 3.992 + 1587TIP3 OH253939 -1.280 -3.080 3.793 + 1587TIP3 H153940 -1.318 -3.107 3.709 + 1587TIP3 H253941 -1.328 -2.997 3.811 + 1587TIP3 OH253942 -0.926 -4.015 4.061 + 1587TIP3 H153943 -0.993 -4.063 4.111 + 1587TIP3 H253944 -0.903 -3.945 4.124 + 1587TIP3 OH253945 -2.002 -3.849 4.298 + 1587TIP3 H153946 -2.009 -3.755 4.280 + 1587TIP3 H253947 -2.001 -3.889 4.209 + 1588TIP3 OH253948 -2.313 -3.112 3.627 + 1588TIP3 H153949 -2.328 -3.060 3.546 + 1588TIP3 H253950 -2.294 -3.042 3.694 + 1588TIP3 OH253951 -0.938 -3.037 4.262 + 1588TIP3 H153952 -1.015 -3.051 4.321 + 1588TIP3 H253953 -0.891 -2.967 4.307 + 1588TIP3 OH253954 -1.639 -4.317 4.153 + 1588TIP3 H153955 -1.599 -4.398 4.190 + 1588TIP3 H253956 -1.688 -4.280 4.228 + 1588TIP3 OH253957 -1.130 -2.775 3.969 + 1588TIP3 H153958 -1.085 -2.852 3.930 + 1588TIP3 H253959 -1.070 -2.703 3.945 + 1588TIP3 OH253960 -0.988 -2.984 3.817 + 1588TIP3 H153961 -1.047 -3.032 3.756 + 1588TIP3 H253962 -0.978 -3.050 3.889 + 1588TIP3 OH253963 -1.412 -3.411 3.641 + 1588TIP3 H153964 -1.476 -3.352 3.598 + 1588TIP3 H253965 -1.338 -3.412 3.578 + 1588TIP3 OH253966 -1.383 -3.589 3.341 + 1588TIP3 H153967 -1.318 -3.564 3.409 + 1588TIP3 H253968 -1.334 -3.659 3.295 + 1588TIP3 OH253969 -1.058 -3.410 3.750 + 1588TIP3 H153970 -1.129 -3.395 3.816 + 1588TIP3 H253971 -1.005 -3.477 3.797 + 1588TIP3 OH253972 -1.901 -3.335 3.925 + 1588TIP3 H153973 -1.933 -3.381 3.845 + 1588TIP3 H253974 -1.839 -3.400 3.964 + 1588TIP3 OH253975 -1.784 -3.074 4.166 + 1588TIP3 H153976 -1.773 -3.058 4.072 + 1588TIP3 H253977 -1.717 -3.015 4.204 + 1589TIP3 OH253978 -1.887 -3.469 4.270 + 1589TIP3 H153979 -1.816 -3.466 4.202 + 1589TIP3 H253980 -1.856 -3.405 4.336 + 1589TIP3 OH253981 -1.167 -3.462 3.493 + 1589TIP3 H153982 -1.118 -3.443 3.576 + 1589TIP3 H253983 -1.114 -3.411 3.427 + 1589TIP3 OH253984 -1.412 -2.808 3.850 + 1589TIP3 H153985 -1.375 -2.777 3.933 + 1589TIP3 H253986 -1.469 -2.734 3.823 + 1589TIP3 OH253987 -0.842 -4.321 3.412 + 1589TIP3 H153988 -0.901 -4.322 3.489 + 1589TIP3 H253989 -0.767 -4.274 3.451 + 1589TIP3 OH253990 -2.007 -3.463 3.681 + 1589TIP3 H153991 -2.026 -3.387 3.624 + 1589TIP3 H253992 -2.072 -3.527 3.652 + 1589TIP3 OH253993 -0.681 -2.883 3.298 + 1589TIP3 H153994 -0.666 -2.789 3.321 + 1589TIP3 H253995 -0.594 -2.922 3.319 + 1589TIP3 OH253996 -1.460 -2.537 3.699 + 1589TIP3 H153997 -1.464 -2.527 3.603 + 1589TIP3 H253998 -1.459 -2.445 3.731 + 1589TIP3 OH253999 -2.067 -2.660 3.812 + 1589TIP3 H154000 -2.064 -2.646 3.909 + 1589TIP3 H254001 -2.162 -2.658 3.797 + 1589TIP3 OH254002 -1.134 -2.596 3.418 + 1589TIP3 H154003 -1.076 -2.661 3.374 + 1589TIP3 H254004 -1.140 -2.633 3.508 + 1589TIP3 OH254005 -1.195 -2.653 3.698 + 1589TIP3 H154006 -1.290 -2.638 3.712 + 1589TIP3 H254007 -1.181 -2.727 3.759 + 1590TIP3 OH254008 -1.889 -4.209 4.306 + 1590TIP3 H154009 -1.948 -4.220 4.231 + 1590TIP3 H254010 -1.864 -4.115 4.304 + 1590TIP3 OH254011 -1.008 -3.362 3.291 + 1590TIP3 H154012 -1.027 -3.384 3.198 + 1590TIP3 H254013 -0.914 -3.338 3.287 + 1590TIP3 OH254014 -1.452 -3.993 3.340 + 1590TIP3 H154015 -1.503 -4.000 3.422 + 1590TIP3 H254016 -1.500 -4.057 3.283 + 1590TIP3 OH254017 -1.881 -3.705 3.887 + 1590TIP3 H154018 -1.976 -3.713 3.867 + 1590TIP3 H254019 -1.843 -3.725 3.799 + 1590TIP3 OH254020 -1.301 -3.634 3.776 + 1590TIP3 H154021 -1.360 -3.573 3.727 + 1590TIP3 H254022 -1.252 -3.678 3.704 + 1590TIP3 OH254023 -1.228 -3.729 4.032 + 1590TIP3 H154024 -1.257 -3.677 3.953 + 1590TIP3 H254025 -1.220 -3.816 3.987 + 1590TIP3 OH254026 -1.805 -3.943 3.235 + 1590TIP3 H154027 -1.838 -3.978 3.320 + 1590TIP3 H254028 -1.886 -3.931 3.184 + 1590TIP3 OH254029 -2.458 -3.956 3.944 + 1590TIP3 H154030 -2.402 -3.956 4.023 + 1590TIP3 H254031 -2.401 -3.994 3.876 + 1590TIP3 OH254032 -2.301 -3.912 3.513 + 1590TIP3 H154033 -2.246 -3.861 3.450 + 1590TIP3 H254034 -2.371 -3.846 3.532 + 1590TIP3 OH254035 -1.628 -3.950 3.985 + 1590TIP3 H154036 -1.717 -3.962 4.022 + 1590TIP3 H254037 -1.570 -3.976 4.057 + 1591TIP3 OH254038 -2.150 -3.827 3.854 + 1591TIP3 H154039 -2.230 -3.796 3.807 + 1591TIP3 H254040 -2.122 -3.906 3.803 + 1591TIP3 OH254041 -1.800 -3.794 3.617 + 1591TIP3 H154042 -1.703 -3.789 3.633 + 1591TIP3 H254043 -1.815 -3.728 3.548 + 1591TIP3 OH254044 -1.184 -4.072 4.270 + 1591TIP3 H154045 -1.241 -4.046 4.344 + 1591TIP3 H254046 -1.243 -4.080 4.194 + 1591TIP3 OH254047 -1.944 -3.665 3.393 + 1591TIP3 H154048 -1.998 -3.695 3.319 + 1591TIP3 H254049 -1.860 -3.645 3.348 + 1591TIP3 OH254050 -1.510 -3.709 4.184 + 1591TIP3 H154051 -1.442 -3.743 4.123 + 1591TIP3 H254052 -1.503 -3.771 4.258 + 1591TIP3 OH254053 -1.988 -4.066 3.793 + 1591TIP3 H154054 -2.032 -4.153 3.801 + 1591TIP3 H254055 -1.905 -4.088 3.748 + 1591TIP3 OH254056 -1.595 -3.206 3.581 + 1591TIP3 H154057 -1.670 -3.259 3.546 + 1591TIP3 H254058 -1.611 -3.206 3.678 + 1591TIP3 OH254059 -1.178 -3.951 3.367 + 1591TIP3 H154060 -1.275 -3.959 3.376 + 1591TIP3 H254061 -1.157 -3.894 3.444 + 1591TIP3 OH254062 -1.109 -3.745 3.554 + 1591TIP3 H154063 -1.033 -3.763 3.612 + 1591TIP3 H254064 -1.087 -3.659 3.514 + 1591TIP3 OH254065 -2.097 -3.306 4.170 + 1591TIP3 H154066 -2.033 -3.286 4.100 + 1591TIP3 H254067 -2.045 -3.370 4.222 + 1592TIP3 OH254068 -1.353 -3.072 3.472 + 1592TIP3 H154069 -1.378 -2.987 3.512 + 1592TIP3 H254070 -1.426 -3.129 3.501 + 1592TIP3 OH254071 -0.644 -3.749 3.537 + 1592TIP3 H154072 -0.708 -3.767 3.466 + 1592TIP3 H254073 -0.637 -3.652 3.528 + 1592TIP3 OH254074 -0.829 -2.882 3.547 + 1592TIP3 H154075 -0.854 -2.959 3.601 + 1592TIP3 H254076 -0.775 -2.921 3.477 + 1592TIP3 OH254077 -1.107 -3.342 4.254 + 1592TIP3 H154078 -1.202 -3.358 4.265 + 1592TIP3 H254079 -1.079 -3.419 4.200 + 1592TIP3 OH254080 -1.838 -2.949 3.863 + 1592TIP3 H154081 -1.798 -2.862 3.882 + 1592TIP3 H254082 -1.931 -2.927 3.871 + 1592TIP3 OH254083 -2.242 -3.462 3.351 + 1592TIP3 H154084 -2.183 -3.396 3.390 + 1592TIP3 H254085 -2.329 -3.433 3.384 + 1592TIP3 OH254086 -1.658 -3.172 3.858 + 1592TIP3 H154087 -1.694 -3.081 3.858 + 1592TIP3 H254088 -1.732 -3.221 3.896 + 1592TIP3 OH254089 -1.788 -2.648 3.808 + 1592TIP3 H154090 -1.886 -2.649 3.811 + 1592TIP3 H254091 -1.767 -2.559 3.839 + 1592TIP3 OH254092 -1.083 -3.042 3.336 + 1592TIP3 H154093 -1.042 -3.088 3.411 + 1592TIP3 H254094 -1.176 -3.054 3.360 + 1592TIP3 OH254095 -0.609 -2.616 3.389 + 1592TIP3 H154096 -0.540 -2.552 3.367 + 1592TIP3 H254097 -0.686 -2.556 3.390 + 1593TIP3 OH254098 -0.986 -3.181 3.572 + 1593TIP3 H154099 -1.016 -3.251 3.633 + 1593TIP3 H254100 -0.890 -3.183 3.586 + 1593TIP3 OH254101 -1.659 -2.937 3.193 + 1593TIP3 H154102 -1.630 -3.017 3.146 + 1593TIP3 H254103 -1.701 -2.975 3.272 + 1593TIP3 OH254104 -1.774 -2.984 3.463 + 1593TIP3 H154105 -1.726 -3.037 3.528 + 1593TIP3 H254106 -1.762 -2.894 3.497 + 1593TIP3 OH254107 -2.092 -3.241 3.503 + 1593TIP3 H154108 -2.164 -3.202 3.557 + 1593TIP3 H254109 -2.043 -3.161 3.478 + 1593TIP3 OH254110 -1.479 -2.822 3.528 + 1593TIP3 H154111 -1.561 -2.775 3.547 + 1593TIP3 H254112 -1.446 -2.774 3.451 + 1593TIP3 OH254113 -1.540 -3.832 3.728 + 1593TIP3 H154114 -1.443 -3.824 3.732 + 1593TIP3 H254115 -1.553 -3.874 3.816 + 1593TIP3 OH254116 -1.759 -2.715 3.527 + 1593TIP3 H154117 -1.766 -2.632 3.476 + 1593TIP3 H254118 -1.776 -2.684 3.618 + 1593TIP3 OH254119 -1.885 -4.053 3.483 + 1593TIP3 H154120 -1.885 -3.969 3.533 + 1593TIP3 H254121 -1.795 -4.085 3.506 + 1593TIP3 OH254122 -1.010 -3.573 4.137 + 1593TIP3 H154123 -1.086 -3.622 4.100 + 1593TIP3 H254124 -0.954 -3.647 4.170 + 1593TIP3 OH254125 -2.048 -2.960 3.379 + 1593TIP3 H154126 -1.977 -2.910 3.422 + 1593TIP3 H254127 -1.996 -3.010 3.315 + 1594TIP3 OH254128 -2.233 -3.745 3.291 + 1594TIP3 H154129 -2.219 -3.652 3.315 + 1594TIP3 H254130 -2.321 -3.742 3.251 + 1594TIP3 OH254131 -0.800 -2.476 4.358 + 1594TIP3 H154132 -0.861 -2.439 4.291 + 1594TIP3 H254133 -0.771 -2.555 4.312 + 1594TIP3 OH254134 -2.218 -4.244 4.179 + 1594TIP3 H154135 -2.188 -4.241 4.087 + 1594TIP3 H254136 -2.184 -4.332 4.205 + 1594TIP3 OH254137 -2.265 -2.897 3.799 + 1594TIP3 H154138 -2.334 -2.831 3.814 + 1594TIP3 H254139 -2.199 -2.845 3.751 + 1594TIP3 OH254140 -1.437 -2.766 3.243 + 1594TIP3 H154141 -1.513 -2.827 3.235 + 1594TIP3 H254142 -1.367 -2.822 3.207 + 1594TIP3 OH254143 -0.975 -2.775 3.255 + 1594TIP3 H154144 -0.959 -2.856 3.306 + 1594TIP3 H254145 -0.895 -2.771 3.198 + 1594TIP3 OH254146 -1.895 -3.194 3.227 + 1594TIP3 H154147 -1.878 -3.252 3.303 + 1594TIP3 H254148 -1.808 -3.197 3.183 + 1594TIP3 OH254149 -1.370 -3.060 3.188 + 1594TIP3 H154150 -1.375 -3.064 3.286 + 1594TIP3 H254151 -1.377 -3.156 3.167 + 1594TIP3 OH254152 -1.786 -3.384 3.461 + 1594TIP3 H154153 -1.846 -3.435 3.517 + 1594TIP3 H254154 -1.755 -3.453 3.398 + 1594TIP3 OH254155 -1.691 -3.584 3.287 + 1594TIP3 H154156 -1.694 -3.575 3.190 + 1594TIP3 H254157 -1.595 -3.587 3.303 + 1595TIP3 OH254158 -0.737 -3.339 3.210 + 1595TIP3 H154159 -0.768 -3.366 3.122 + 1595TIP3 H254160 -0.743 -3.242 3.200 + 1595TIP3 OH254161 -1.715 -2.458 3.396 + 1595TIP3 H154162 -1.619 -2.449 3.408 + 1595TIP3 H254163 -1.726 -2.415 3.310 + 1595TIP3 OH254164 -2.323 -3.020 3.350 + 1595TIP3 H154165 -2.228 -3.000 3.364 + 1595TIP3 H254166 -2.319 -3.099 3.292 + 1595TIP3 OH254167 -2.416 -2.494 3.821 + 1595TIP3 H154168 -2.483 -2.536 3.761 + 1595TIP3 H254169 -2.413 -2.560 3.894 + 1595TIP3 OH254170 -2.405 -2.686 4.015 + 1595TIP3 H154171 -2.404 -2.777 4.046 + 1595TIP3 H254172 -2.337 -2.647 4.073 + 1595TIP3 OH254173 -0.604 -2.640 4.282 + 1595TIP3 H154174 -0.617 -2.616 4.376 + 1595TIP3 H254175 -0.537 -2.575 4.258 + 1595TIP3 OH254176 -0.699 -3.198 3.613 + 1595TIP3 H154177 -0.609 -3.164 3.630 + 1595TIP3 H254178 -0.710 -3.258 3.688 + 1595TIP3 OH254179 -0.636 -3.408 3.825 + 1595TIP3 H154180 -0.717 -3.455 3.854 + 1595TIP3 H254181 -0.592 -3.389 3.909 + 1595TIP3 OH254182 -0.643 -3.178 4.324 + 1595TIP3 H154183 -0.622 -3.205 4.235 + 1595TIP3 H254184 -0.695 -3.098 4.308 + 1595TIP3 OH254185 -0.627 -3.453 3.469 + 1595TIP3 H154186 -0.679 -3.427 3.390 + 1595TIP3 H254187 -0.642 -3.376 3.527 + 1596TIP3 OH254188 -0.802 -3.698 3.292 + 1596TIP3 H154189 -0.773 -3.640 3.221 + 1596TIP3 H254190 -0.826 -3.779 3.246 + 1596TIP3 OH254191 -0.852 -3.583 3.894 + 1596TIP3 H154192 -0.867 -3.676 3.867 + 1596TIP3 H254193 -0.900 -3.579 3.979 + 1596TIP3 OH254194 -2.374 -3.410 4.260 + 1596TIP3 H154195 -2.338 -3.373 4.178 + 1596TIP3 H254196 -2.297 -3.407 4.318 + 1596TIP3 OH254197 -0.853 -3.977 3.200 + 1596TIP3 H154198 -0.799 -4.013 3.273 + 1596TIP3 H254199 -0.939 -4.019 3.216 + 1596TIP3 OH254200 -0.872 -3.820 3.712 + 1596TIP3 H154201 -0.872 -3.916 3.727 + 1596TIP3 H254202 -0.786 -3.808 3.668 + 1596TIP3 OH254203 -0.856 -3.772 4.220 + 1596TIP3 H154204 -0.761 -3.779 4.234 + 1596TIP3 H254205 -0.893 -3.792 4.308 + 1596TIP3 OH254206 -0.836 -4.104 3.715 + 1596TIP3 H154207 -0.851 -4.131 3.806 + 1596TIP3 H254208 -0.911 -4.148 3.671 + 1596TIP3 OH254209 -2.301 -3.983 4.189 + 1596TIP3 H154210 -2.286 -4.080 4.198 + 1596TIP3 H254211 -2.238 -3.949 4.254 + 1596TIP3 OH254212 -2.463 -3.697 4.302 + 1596TIP3 H154213 -2.418 -3.735 4.224 + 1596TIP3 H254214 -2.434 -3.604 4.296 + 1596TIP3 OH254215 -0.634 -4.052 3.366 + 1596TIP3 H154216 -0.618 -4.143 3.340 + 1596TIP3 H254217 -0.546 -4.017 3.386 + 1597TIP3 OH254218 -2.401 -4.105 3.689 + 1597TIP3 H154219 -2.496 -4.093 3.672 + 1597TIP3 H254220 -2.361 -4.035 3.634 + 1597TIP3 OH254221 -0.947 -2.568 3.891 + 1597TIP3 H154222 -0.888 -2.593 3.819 + 1597TIP3 H254223 -0.886 -2.531 3.957 + 1597TIP3 OH254224 -2.266 -2.673 4.348 + 1597TIP3 H154225 -2.221 -2.750 4.383 + 1597TIP3 H254226 -2.210 -2.650 4.270 + 1597TIP3 OH254227 -1.924 -2.822 4.122 + 1597TIP3 H154228 -2.009 -2.866 4.139 + 1597TIP3 H254229 -1.955 -2.729 4.123 + 1597TIP3 OH254230 -1.704 -2.688 4.221 + 1597TIP3 H154231 -1.747 -2.759 4.171 + 1597TIP3 H254232 -1.742 -2.704 4.308 + 1597TIP3 OH254233 -0.881 -4.344 4.160 + 1597TIP3 H154234 -0.837 -4.274 4.111 + 1597TIP3 H254235 -0.976 -4.321 4.153 + 1597TIP3 OH254236 -0.660 -4.223 3.966 + 1597TIP3 H154237 -0.648 -4.240 3.873 + 1597TIP3 H254238 -0.688 -4.131 3.970 + 1597TIP3 OH254239 -2.179 -4.285 3.864 + 1597TIP3 H154240 -2.270 -4.309 3.845 + 1597TIP3 H254241 -2.141 -4.367 3.896 + 1597TIP3 OH254242 -2.320 -4.291 3.487 + 1597TIP3 H154243 -2.273 -4.242 3.417 + 1597TIP3 H254244 -2.356 -4.218 3.540 + 1597TIP3 OH254245 -1.703 -4.262 3.868 + 1597TIP3 H154246 -1.625 -4.209 3.886 + 1597TIP3 H254247 -1.726 -4.290 3.958 + 1598TIP3 OH254248 -1.147 -4.288 4.041 + 1598TIP3 H154249 -1.193 -4.249 3.965 + 1598TIP3 H254250 -1.194 -4.370 4.061 + 1598TIP3 OH254251 -1.064 -4.269 3.599 + 1598TIP3 H154252 -1.138 -4.206 3.611 + 1598TIP3 H254253 -1.101 -4.350 3.636 + 1598TIP3 OH254254 -2.281 -2.697 3.588 + 1598TIP3 H154255 -2.348 -2.704 3.518 + 1598TIP3 H254256 -2.279 -2.602 3.602 + 1598TIP3 OH254257 -2.127 -4.126 3.333 + 1598TIP3 H154258 -2.056 -4.161 3.275 + 1598TIP3 H254259 -2.074 -4.074 3.396 + 1598TIP3 OH254260 -1.612 -4.062 3.580 + 1598TIP3 H154261 -1.568 -4.134 3.627 + 1598TIP3 H254262 -1.585 -3.985 3.635 + 1598TIP3 OH254263 -1.410 -2.512 3.403 + 1598TIP3 H154264 -1.312 -2.512 3.401 + 1598TIP3 H254265 -1.429 -2.579 3.337 + 1598TIP3 OH254266 -0.757 -2.611 3.664 + 1598TIP3 H154267 -0.782 -2.695 3.619 + 1598TIP3 H254268 -0.763 -2.549 3.590 + 1598TIP3 OH254269 -2.132 -2.600 3.273 + 1598TIP3 H154270 -2.157 -2.577 3.364 + 1598TIP3 H254271 -2.056 -2.659 3.287 + 1598TIP3 OH254272 0.603 -3.370 3.923 + 1598TIP3 H154273 0.611 -3.273 3.930 + 1598TIP3 H254274 0.534 -3.378 3.855 + 1598TIP3 OH254275 0.498 -3.429 4.247 + 1598TIP3 H154276 0.494 -3.504 4.308 + 1598TIP3 H254277 0.489 -3.471 4.161 + 1599TIP3 OH254278 0.850 -3.152 4.035 + 1599TIP3 H154279 0.814 -3.222 4.092 + 1599TIP3 H254280 0.894 -3.101 4.106 + 1599TIP3 OH254281 -0.491 -3.650 3.781 + 1599TIP3 H154282 -0.542 -3.567 3.782 + 1599TIP3 H254283 -0.559 -3.713 3.754 + 1599TIP3 OH254284 -0.386 -3.394 4.048 + 1599TIP3 H154285 -0.394 -3.491 4.057 + 1599TIP3 H254286 -0.350 -3.387 3.958 + 1599TIP3 OH254287 0.558 -2.615 4.110 + 1599TIP3 H154288 0.626 -2.678 4.082 + 1599TIP3 H254289 0.538 -2.643 4.201 + 1599TIP3 OH254290 0.305 -3.199 4.278 + 1599TIP3 H154291 0.346 -3.267 4.223 + 1599TIP3 H254292 0.387 -3.163 4.319 + 1599TIP3 OH254293 0.654 -3.722 4.321 + 1599TIP3 H154294 0.692 -3.808 4.345 + 1599TIP3 H254295 0.660 -3.722 4.223 + 1599TIP3 OH254296 -0.040 -3.940 4.042 + 1599TIP3 H154297 -0.018 -3.856 3.997 + 1599TIP3 H254298 -0.070 -3.993 3.964 + 1599TIP3 OH254299 0.759 -3.918 3.874 + 1599TIP3 H154300 0.816 -3.964 3.938 + 1599TIP3 H254301 0.825 -3.877 3.816 + 1599TIP3 OH254302 -0.342 -3.674 4.100 + 1599TIP3 H154303 -0.299 -3.740 4.155 + 1599TIP3 H254304 -0.341 -3.720 4.014 + 1599TIP3 OH254305 0.166 -3.530 4.059 + 1599TIP3 H154306 0.243 -3.585 4.083 + 1599TIP3 H254307 0.124 -3.585 3.990 + 1600TIP3 OH254308 0.599 -3.084 3.793 + 1600TIP3 H154309 0.571 -3.101 3.702 + 1600TIP3 H254310 0.558 -2.998 3.812 + 1600TIP3 OH254311 0.946 -4.014 4.071 + 1600TIP3 H154312 0.906 -4.066 4.143 + 1600TIP3 H254313 0.994 -3.949 4.126 + 1600TIP3 OH254314 -0.111 -3.850 4.297 + 1600TIP3 H154315 -0.128 -3.757 4.279 + 1600TIP3 H254316 -0.113 -3.891 4.208 + 1600TIP3 OH254317 -0.426 -3.112 3.628 + 1600TIP3 H154318 -0.443 -3.065 3.545 + 1600TIP3 H254319 -0.408 -3.039 3.692 + 1600TIP3 OH254320 0.946 -3.091 4.277 + 1600TIP3 H154321 0.870 -3.074 4.336 + 1600TIP3 H254322 0.995 -3.009 4.285 + 1600TIP3 OH254323 0.249 4.378 4.165 + 1600TIP3 H154324 0.267 4.288 4.195 + 1600TIP3 H254325 0.184 4.410 4.229 + 1600TIP3 OH254326 0.746 -2.771 3.952 + 1600TIP3 H154327 0.798 -2.851 3.931 + 1600TIP3 H254328 0.816 -2.703 3.948 + 1600TIP3 OH254329 0.901 -2.991 3.819 + 1600TIP3 H154330 0.843 -3.033 3.754 + 1600TIP3 H254331 0.889 -3.051 3.896 + 1600TIP3 OH254332 0.475 -3.415 3.642 + 1600TIP3 H154333 0.410 -3.354 3.603 + 1600TIP3 H254334 0.548 -3.410 3.577 + 1600TIP3 OH254335 0.504 -3.595 3.346 + 1600TIP3 H154336 0.573 -3.565 3.408 + 1600TIP3 H254337 0.557 -3.653 3.288 + 1601TIP3 OH254338 0.825 -3.415 3.750 + 1601TIP3 H154339 0.760 -3.392 3.819 + 1601TIP3 H254340 0.887 -3.470 3.801 + 1601TIP3 OH254341 -0.032 -3.327 3.944 + 1601TIP3 H154342 -0.061 -3.372 3.863 + 1601TIP3 H254343 0.027 -3.391 3.985 + 1601TIP3 OH254344 0.067 -3.030 4.165 + 1601TIP3 H154345 0.098 -3.049 4.076 + 1601TIP3 H254346 0.150 -3.020 4.214 + 1601TIP3 OH254347 -0.001 -3.443 4.269 + 1601TIP3 H154348 0.063 -3.463 4.198 + 1601TIP3 H254349 0.059 -3.435 4.345 + 1601TIP3 OH254350 0.723 -3.472 3.495 + 1601TIP3 H154351 0.770 -3.443 3.576 + 1601TIP3 H254352 0.772 -3.420 3.427 + 1601TIP3 OH254353 0.462 -2.811 3.856 + 1601TIP3 H154354 0.520 -2.778 3.925 + 1601TIP3 H254355 0.419 -2.730 3.823 + 1601TIP3 OH254356 1.042 -4.322 3.415 + 1601TIP3 H154357 0.996 -4.323 3.501 + 1601TIP3 H254358 1.120 -4.270 3.440 + 1601TIP3 OH254359 -0.119 -3.459 3.683 + 1601TIP3 H154360 -0.140 -3.384 3.624 + 1601TIP3 H254361 -0.183 -3.525 3.655 + 1601TIP3 OH254362 1.205 -2.882 3.298 + 1601TIP3 H154363 1.220 -2.789 3.321 + 1601TIP3 H254364 1.292 -2.922 3.319 + 1601TIP3 OH254365 -0.490 -2.921 4.260 + 1601TIP3 H154366 -0.404 -2.882 4.244 + 1601TIP3 H254367 -0.542 -2.841 4.278 + 1602TIP3 OH254368 0.423 -2.539 3.699 + 1602TIP3 H154369 0.424 -2.526 3.602 + 1602TIP3 H254370 0.424 -2.448 3.732 + 1602TIP3 OH254371 -0.197 -2.625 3.865 + 1602TIP3 H154372 -0.183 -2.674 3.948 + 1602TIP3 H254373 -0.281 -2.663 3.835 + 1602TIP3 OH254374 0.752 -2.596 3.417 + 1602TIP3 H154375 0.810 -2.662 3.374 + 1602TIP3 H254376 0.746 -2.633 3.508 + 1602TIP3 OH254377 0.691 -2.656 3.694 + 1602TIP3 H154378 0.597 -2.637 3.712 + 1602TIP3 H254379 0.710 -2.720 3.765 + 1602TIP3 OH254380 0.000 -4.211 4.301 + 1602TIP3 H154381 -0.068 -4.222 4.234 + 1602TIP3 H254382 0.018 -4.115 4.301 + 1602TIP3 OH254383 0.877 -3.364 3.295 + 1602TIP3 H154384 0.858 -3.380 3.200 + 1602TIP3 H254385 0.971 -3.337 3.290 + 1602TIP3 OH254386 0.442 -3.993 3.341 + 1602TIP3 H154387 0.389 -4.004 3.422 + 1602TIP3 H254388 0.393 -4.054 3.282 + 1602TIP3 OH254389 0.006 -3.707 3.884 + 1602TIP3 H154390 -0.090 -3.716 3.867 + 1602TIP3 H254391 0.042 -3.728 3.796 + 1602TIP3 OH254392 0.566 -3.651 3.762 + 1602TIP3 H154393 0.525 -3.569 3.727 + 1602TIP3 H254394 0.633 -3.668 3.694 + 1602TIP3 OH254395 0.644 -3.710 4.042 + 1602TIP3 H154396 0.617 -3.653 3.967 + 1602TIP3 H254397 0.666 -3.792 3.993 + 1603TIP3 OH254398 0.085 -3.944 3.237 + 1603TIP3 H154399 0.053 -3.977 3.323 + 1603TIP3 H254400 0.004 -3.922 3.191 + 1603TIP3 OH254401 -0.551 -3.931 3.936 + 1603TIP3 H154402 -0.518 -3.958 4.023 + 1603TIP3 H254403 -0.524 -4.003 3.878 + 1603TIP3 OH254404 -0.416 -3.914 3.510 + 1603TIP3 H154405 -0.360 -3.860 3.452 + 1603TIP3 H254406 -0.486 -3.849 3.533 + 1603TIP3 OH254407 0.274 -3.940 3.983 + 1603TIP3 H154408 0.182 -3.959 4.006 + 1603TIP3 H254409 0.321 -3.975 4.060 + 1603TIP3 OH254410 -0.258 -3.823 3.849 + 1603TIP3 H154411 -0.346 -3.802 3.813 + 1603TIP3 H254412 -0.235 -3.908 3.805 + 1603TIP3 OH254413 0.100 -3.790 3.623 + 1603TIP3 H154414 0.197 -3.787 3.627 + 1603TIP3 H254415 0.077 -3.731 3.549 + 1603TIP3 OH254416 0.716 -4.071 4.268 + 1603TIP3 H154417 0.686 -4.047 4.357 + 1603TIP3 H254418 0.633 -4.076 4.218 + 1603TIP3 OH254419 -0.054 -3.671 3.397 + 1603TIP3 H154420 -0.111 -3.693 3.322 + 1603TIP3 H254421 0.029 -3.648 3.350 + 1603TIP3 OH254422 0.368 -3.707 4.193 + 1603TIP3 H154423 0.439 -3.739 4.135 + 1603TIP3 H254424 0.373 -3.772 4.265 + 1603TIP3 OH254425 -0.103 -4.067 3.788 + 1603TIP3 H154426 -0.148 -4.152 3.803 + 1603TIP3 H254427 -0.015 -4.096 3.758 + 1604TIP3 OH254428 0.292 -3.209 3.583 + 1604TIP3 H154429 0.216 -3.260 3.546 + 1604TIP3 H254430 0.273 -3.209 3.679 + 1604TIP3 OH254431 0.711 -3.929 3.342 + 1604TIP3 H154432 0.613 -3.938 3.346 + 1604TIP3 H254433 0.730 -3.863 3.411 + 1604TIP3 OH254434 0.776 -3.750 3.557 + 1604TIP3 H154435 0.862 -3.763 3.602 + 1604TIP3 H254436 0.785 -3.660 3.521 + 1604TIP3 OH254437 0.533 -3.073 3.475 + 1604TIP3 H154438 0.507 -2.986 3.512 + 1604TIP3 H254439 0.457 -3.128 3.502 + 1604TIP3 OH254440 1.238 -3.746 3.538 + 1604TIP3 H154441 1.181 -3.765 3.461 + 1604TIP3 H254442 1.249 -3.650 3.525 + 1604TIP3 OH254443 1.052 -2.885 3.545 + 1604TIP3 H154444 1.035 -2.960 3.603 + 1604TIP3 H254445 1.112 -2.921 3.478 + 1604TIP3 OH254446 0.765 -3.335 4.246 + 1604TIP3 H154447 0.677 -3.370 4.271 + 1604TIP3 H254448 0.806 -3.411 4.201 + 1604TIP3 OH254449 0.048 -2.941 3.882 + 1604TIP3 H154450 0.090 -2.855 3.872 + 1604TIP3 H254451 -0.044 -2.920 3.861 + 1604TIP3 OH254452 -0.355 -3.462 3.351 + 1604TIP3 H154453 -0.298 -3.394 3.391 + 1604TIP3 H254454 -0.443 -3.435 3.385 + 1604TIP3 OH254455 0.219 -3.181 3.858 + 1604TIP3 H154456 0.194 -3.087 3.863 + 1604TIP3 H254457 0.143 -3.224 3.899 + 1605TIP3 OH254458 0.089 -2.651 3.814 + 1605TIP3 H154459 -0.006 -2.633 3.819 + 1605TIP3 H254460 0.126 -2.565 3.839 + 1605TIP3 OH254461 0.802 -3.043 3.335 + 1605TIP3 H154462 0.845 -3.086 3.411 + 1605TIP3 H254463 0.709 -3.055 3.362 + 1605TIP3 OH254464 1.277 -2.616 3.389 + 1605TIP3 H154465 1.346 -2.551 3.368 + 1605TIP3 H254466 1.200 -2.557 3.392 + 1605TIP3 OH254467 0.898 -3.182 3.573 + 1605TIP3 H154468 0.872 -3.252 3.635 + 1605TIP3 H254469 0.995 -3.181 3.583 + 1605TIP3 OH254470 0.227 -2.936 3.194 + 1605TIP3 H154471 0.256 -3.014 3.144 + 1605TIP3 H254472 0.185 -2.976 3.272 + 1605TIP3 OH254473 0.111 -2.986 3.466 + 1605TIP3 H154474 0.164 -3.037 3.529 + 1605TIP3 H254475 0.125 -2.894 3.497 + 1605TIP3 OH254476 -0.205 -3.241 3.506 + 1605TIP3 H154477 -0.278 -3.201 3.557 + 1605TIP3 H254478 -0.158 -3.161 3.475 + 1605TIP3 OH254479 0.638 -4.057 3.630 + 1605TIP3 H154480 0.643 -3.996 3.556 + 1605TIP3 H254481 0.671 -4.003 3.703 + 1605TIP3 OH254482 0.404 -2.825 3.527 + 1605TIP3 H154483 0.325 -2.773 3.547 + 1605TIP3 H254484 0.443 -2.775 3.455 + 1605TIP3 OH254485 0.368 -3.850 3.730 + 1605TIP3 H154486 0.443 -3.789 3.746 + 1605TIP3 H254487 0.338 -3.869 3.821 + 1606TIP3 OH254488 0.430 -4.172 3.824 + 1606TIP3 H154489 0.411 -4.100 3.887 + 1606TIP3 H254490 0.495 -4.130 3.765 + 1606TIP3 OH254491 0.124 -2.715 3.528 + 1606TIP3 H154492 0.120 -2.635 3.472 + 1606TIP3 H254493 0.113 -2.679 3.618 + 1606TIP3 OH254494 -0.007 -4.051 3.478 + 1606TIP3 H154495 -0.006 -3.972 3.535 + 1606TIP3 H254496 0.080 -4.090 3.503 + 1606TIP3 OH254497 0.878 -3.572 4.137 + 1606TIP3 H154498 0.797 -3.618 4.109 + 1606TIP3 H254499 0.931 -3.647 4.172 + 1606TIP3 OH254500 -0.163 -2.962 3.382 + 1606TIP3 H154501 -0.090 -2.910 3.420 + 1606TIP3 H254502 -0.113 -3.010 3.313 + 1606TIP3 OH254503 -0.350 -3.742 3.289 + 1606TIP3 H154504 -0.334 -3.649 3.315 + 1606TIP3 H254505 -0.443 -3.738 3.265 + 1606TIP3 OH254506 1.015 -2.553 4.382 + 1606TIP3 H154507 0.996 -2.473 4.329 + 1606TIP3 H254508 1.060 -2.602 4.313 + 1606TIP3 OH254509 -0.330 -4.241 4.180 + 1606TIP3 H154510 -0.303 -4.242 4.088 + 1606TIP3 H254511 -0.300 -4.331 4.206 + 1606TIP3 OH254512 -0.368 -2.891 3.801 + 1606TIP3 H154513 -0.444 -2.836 3.822 + 1606TIP3 H254514 -0.326 -2.839 3.730 + 1606TIP3 OH254515 0.449 -2.766 3.243 + 1606TIP3 H154516 0.373 -2.828 3.234 + 1606TIP3 H254517 0.520 -2.820 3.205 + 1607TIP3 OH254518 0.911 -2.776 3.254 + 1607TIP3 H154519 0.928 -2.856 3.307 + 1607TIP3 H254520 0.991 -2.771 3.198 + 1607TIP3 OH254521 -0.010 -3.194 3.227 + 1607TIP3 H154522 0.009 -3.252 3.303 + 1607TIP3 H254523 0.077 -3.195 3.182 + 1607TIP3 OH254524 0.514 -3.061 3.189 + 1607TIP3 H154525 0.511 -3.064 3.286 + 1607TIP3 H254526 0.510 -3.157 3.168 + 1607TIP3 OH254527 0.100 -3.385 3.462 + 1607TIP3 H154528 0.040 -3.435 3.518 + 1607TIP3 H254529 0.130 -3.454 3.398 + 1607TIP3 OH254530 0.194 -3.584 3.286 + 1607TIP3 H154531 0.192 -3.574 3.189 + 1607TIP3 H254532 0.290 -3.588 3.303 + 1607TIP3 OH254533 1.147 -3.333 3.218 + 1607TIP3 H154534 1.135 -3.373 3.131 + 1607TIP3 H254535 1.136 -3.238 3.196 + 1607TIP3 OH254536 0.172 -2.463 3.396 + 1607TIP3 H154537 0.267 -2.448 3.408 + 1607TIP3 H254538 0.157 -2.414 3.313 + 1607TIP3 OH254539 -0.437 -3.022 3.355 + 1607TIP3 H154540 -0.342 -3.000 3.364 + 1607TIP3 H254541 -0.434 -3.097 3.292 + 1607TIP3 OH254542 -0.537 -2.501 3.823 + 1607TIP3 H154543 -0.609 -2.539 3.769 + 1607TIP3 H254544 -0.528 -2.570 3.892 + 1607TIP3 OH254545 -0.494 -2.701 4.018 + 1607TIP3 H154546 -0.535 -2.785 4.042 + 1607TIP3 H254547 -0.464 -2.673 4.107 + 1608TIP3 OH254548 1.273 -2.564 4.269 + 1608TIP3 H154549 1.250 -2.578 4.363 + 1608TIP3 H254550 1.370 -2.560 4.274 + 1608TIP3 OH254551 1.186 -3.195 3.613 + 1608TIP3 H154552 1.276 -3.162 3.630 + 1608TIP3 H254553 1.177 -3.258 3.687 + 1608TIP3 OH254554 1.235 -3.401 3.812 + 1608TIP3 H154555 1.165 -3.454 3.855 + 1608TIP3 H254556 1.301 -3.389 3.884 + 1608TIP3 OH254557 1.228 -3.168 4.336 + 1608TIP3 H154558 1.275 -3.218 4.269 + 1608TIP3 H254559 1.215 -3.082 4.294 + 1608TIP3 OH254560 1.258 -3.454 3.468 + 1608TIP3 H154561 1.206 -3.426 3.390 + 1608TIP3 H254562 1.243 -3.379 3.528 + 1608TIP3 OH254563 1.084 -3.698 3.294 + 1608TIP3 H154564 1.112 -3.638 3.224 + 1608TIP3 H254565 1.059 -3.778 3.244 + 1608TIP3 OH254566 1.023 -3.583 3.893 + 1608TIP3 H154567 1.017 -3.678 3.875 + 1608TIP3 H254568 0.987 -3.576 3.983 + 1608TIP3 OH254569 1.026 -3.970 3.211 + 1608TIP3 H154570 1.085 -4.012 3.275 + 1608TIP3 H254571 0.943 -4.018 3.223 + 1608TIP3 OH254572 1.008 -3.827 3.712 + 1608TIP3 H154573 1.025 -3.924 3.717 + 1608TIP3 H254574 1.090 -3.798 3.669 + 1608TIP3 OH254575 1.031 -3.776 4.219 + 1608TIP3 H154576 1.126 -3.773 4.235 + 1608TIP3 H254577 0.994 -3.785 4.309 + 1609TIP3 OH254578 1.039 -4.099 3.719 + 1609TIP3 H154579 1.057 -4.149 3.800 + 1609TIP3 H254580 0.976 -4.159 3.674 + 1609TIP3 OH254581 -0.415 -3.982 4.194 + 1609TIP3 H154582 -0.402 -4.079 4.199 + 1609TIP3 H254583 -0.349 -3.952 4.257 + 1609TIP3 OH254584 -0.581 -3.703 4.298 + 1609TIP3 H154585 -0.538 -3.749 4.225 + 1609TIP3 H254586 -0.533 -3.619 4.300 + 1609TIP3 OH254587 1.252 -4.057 3.381 + 1609TIP3 H154588 1.268 -4.142 3.335 + 1609TIP3 H254589 1.338 -4.015 3.380 + 1609TIP3 OH254590 -0.517 -4.110 3.685 + 1609TIP3 H154591 -0.613 -4.097 3.674 + 1609TIP3 H254592 -0.479 -4.036 3.635 + 1609TIP3 OH254593 0.941 -2.569 3.899 + 1609TIP3 H154594 0.995 -2.592 3.822 + 1609TIP3 H254595 1.005 -2.532 3.961 + 1609TIP3 OH254596 -0.335 -2.680 4.256 + 1609TIP3 H154597 -0.307 -2.658 4.348 + 1609TIP3 H254598 -0.247 -2.692 4.215 + 1609TIP3 OH254599 -0.121 -2.771 4.117 + 1609TIP3 H154600 -0.110 -2.867 4.131 + 1609TIP3 H254601 -0.033 -2.739 4.147 + 1609TIP3 OH254602 0.130 -2.707 4.213 + 1609TIP3 H154603 0.172 -2.790 4.186 + 1609TIP3 H254604 0.149 -2.707 4.307 + 1609TIP3 OH254605 0.469 -4.109 4.126 + 1609TIP3 H154606 0.408 -4.180 4.153 + 1609TIP3 H254607 0.537 -4.160 4.077 + 1610TIP3 OH254608 1.001 -4.350 4.148 + 1610TIP3 H154609 1.055 -4.279 4.112 + 1610TIP3 H254610 0.914 -4.311 4.162 + 1610TIP3 OH254611 1.202 -4.223 3.959 + 1610TIP3 H154612 1.250 -4.243 3.878 + 1610TIP3 H254613 1.212 -4.127 3.969 + 1610TIP3 OH254614 -0.292 -4.287 3.856 + 1610TIP3 H154615 -0.387 -4.303 3.851 + 1610TIP3 H254616 -0.259 -4.368 3.897 + 1610TIP3 OH254617 -0.438 -4.284 3.469 + 1610TIP3 H154618 -0.381 -4.229 3.413 + 1610TIP3 H254619 -0.473 -4.221 3.534 + 1610TIP3 OH254620 0.154 -4.235 3.889 + 1610TIP3 H154621 0.248 -4.232 3.868 + 1610TIP3 H254622 0.153 -4.287 3.970 + 1610TIP3 OH254623 0.687 -4.269 4.012 + 1610TIP3 H154624 0.751 -4.273 3.941 + 1610TIP3 H254625 0.711 -4.346 4.068 + 1610TIP3 OH254626 0.824 -4.272 3.618 + 1610TIP3 H154627 0.747 -4.214 3.604 + 1610TIP3 H254628 0.783 -4.359 3.625 + 1610TIP3 OH254629 -0.392 -2.697 3.596 + 1610TIP3 H154630 -0.454 -2.708 3.522 + 1610TIP3 H254631 -0.391 -2.600 3.602 + 1610TIP3 OH254632 -0.240 -4.110 3.315 + 1610TIP3 H154633 -0.169 -4.158 3.268 + 1610TIP3 H254634 -0.187 -4.064 3.383 + 1610TIP3 OH254635 0.279 -4.058 3.561 + 1610TIP3 H154636 0.290 -4.143 3.609 + 1610TIP3 H254637 0.300 -3.991 3.628 + 1611TIP3 OH254638 0.476 -2.514 3.406 + 1611TIP3 H154639 0.573 -2.511 3.401 + 1611TIP3 H254640 0.457 -2.579 3.336 + 1611TIP3 OH254641 1.128 -2.611 3.664 + 1611TIP3 H154642 1.103 -2.694 3.618 + 1611TIP3 H254643 1.122 -2.547 3.591 + 1611TIP3 OH254644 -0.251 -2.607 3.273 + 1611TIP3 H154645 -0.270 -2.572 3.361 + 1611TIP3 H254646 -0.168 -2.656 3.287 + 1611TIP3 OH254647 2.477 -3.378 3.892 + 1611TIP3 H154648 2.502 -3.292 3.932 + 1611TIP3 H254649 2.390 -3.353 3.858 + 1611TIP3 OH254650 2.383 -3.432 4.241 + 1611TIP3 H154651 2.379 -3.499 4.313 + 1611TIP3 H254652 2.362 -3.486 4.164 + 1611TIP3 OH254653 2.734 -3.155 4.035 + 1611TIP3 H154654 2.700 -3.222 4.097 + 1611TIP3 H254655 2.777 -3.100 4.104 + 1611TIP3 OH254656 1.698 -3.006 4.247 + 1611TIP3 H154657 1.670 -3.097 4.224 + 1611TIP3 H254658 1.793 -3.022 4.257 + 1611TIP3 OH254659 1.394 -3.659 3.779 + 1611TIP3 H154660 1.354 -3.571 3.788 + 1611TIP3 H254661 1.322 -3.710 3.740 + 1611TIP3 OH254662 1.469 -3.422 3.974 + 1611TIP3 H154663 1.491 -3.498 4.031 + 1611TIP3 H254664 1.553 -3.410 3.927 + 1611TIP3 OH254665 2.445 -2.614 4.111 + 1611TIP3 H154666 2.513 -2.679 4.085 + 1611TIP3 H254667 2.423 -2.642 4.201 + 1612TIP3 OH254668 2.190 -3.204 4.278 + 1612TIP3 H154669 2.237 -3.269 4.224 + 1612TIP3 H254670 2.268 -3.164 4.322 + 1612TIP3 OH254671 2.543 -3.720 4.311 + 1612TIP3 H154672 2.577 -3.806 4.342 + 1612TIP3 H254673 2.537 -3.732 4.215 + 1612TIP3 OH254674 1.851 -3.943 4.039 + 1612TIP3 H154675 1.865 -3.856 3.998 + 1612TIP3 H254676 1.817 -3.993 3.963 + 1612TIP3 OH254677 2.646 -3.902 3.872 + 1612TIP3 H154678 2.694 -3.957 3.938 + 1612TIP3 H254679 2.721 -3.879 3.813 + 1612TIP3 OH254680 1.555 -3.671 4.099 + 1612TIP3 H154681 1.585 -3.740 4.159 + 1612TIP3 H254682 1.548 -3.719 4.015 + 1612TIP3 OH254683 2.060 -3.530 4.051 + 1612TIP3 H154684 2.128 -3.591 4.086 + 1612TIP3 H254685 2.010 -3.590 3.992 + 1612TIP3 OH254686 2.484 -3.087 3.788 + 1612TIP3 H154687 2.454 -3.093 3.697 + 1612TIP3 H254688 2.447 -3.001 3.815 + 1612TIP3 OH254689 2.825 -4.009 4.071 + 1612TIP3 H154690 2.791 -4.066 4.142 + 1612TIP3 H254691 2.879 -3.949 4.126 + 1612TIP3 OH254692 1.774 -3.849 4.297 + 1612TIP3 H154693 1.754 -3.756 4.281 + 1612TIP3 H254694 1.768 -3.889 4.208 + 1612TIP3 OH254695 1.462 -3.112 3.627 + 1612TIP3 H154696 1.441 -3.062 3.546 + 1612TIP3 H254697 1.478 -3.042 3.693 + 1613TIP3 OH254698 2.827 -3.072 4.269 + 1613TIP3 H154699 2.770 -3.075 4.349 + 1613TIP3 H254700 2.901 -3.017 4.298 + 1613TIP3 OH254701 2.138 4.380 4.167 + 1613TIP3 H154702 2.150 4.288 4.194 + 1613TIP3 H254703 2.068 4.412 4.228 + 1613TIP3 OH254704 2.635 -2.772 3.954 + 1613TIP3 H154705 2.688 -2.850 3.930 + 1613TIP3 H254706 2.702 -2.701 3.948 + 1613TIP3 OH254707 2.789 -2.993 3.819 + 1613TIP3 H154708 2.724 -3.027 3.757 + 1613TIP3 H254709 2.775 -3.051 3.897 + 1613TIP3 OH254710 2.443 -3.597 3.394 + 1613TIP3 H154711 2.524 -3.571 3.349 + 1613TIP3 H254712 2.394 -3.635 3.319 + 1613TIP3 OH254713 2.683 -3.460 3.729 + 1613TIP3 H154714 2.647 -3.399 3.796 + 1613TIP3 H254715 2.768 -3.486 3.771 + 1613TIP3 OH254716 1.877 -3.332 3.924 + 1613TIP3 H154717 1.837 -3.376 3.846 + 1613TIP3 H254718 1.931 -3.402 3.963 + 1613TIP3 OH254719 1.971 -3.019 4.157 + 1613TIP3 H154720 1.998 -3.059 4.073 + 1613TIP3 H254721 2.053 -3.020 4.209 + 1613TIP3 OH254722 1.891 -3.455 4.268 + 1613TIP3 H154723 1.963 -3.459 4.203 + 1613TIP3 H254724 1.936 -3.422 4.347 + 1613TIP3 OH254725 2.351 -2.812 3.856 + 1613TIP3 H154726 2.403 -2.776 3.928 + 1613TIP3 H254727 2.305 -2.734 3.822 + 1614TIP3 OH254728 2.926 -4.319 3.415 + 1614TIP3 H154729 2.885 -4.325 3.503 + 1614TIP3 H254730 3.006 -4.270 3.438 + 1614TIP3 OH254731 1.766 -3.464 3.679 + 1614TIP3 H154732 1.743 -3.386 3.624 + 1614TIP3 H254733 1.697 -3.526 3.654 + 1614TIP3 OH254734 3.094 -2.868 3.312 + 1614TIP3 H154735 3.116 -2.773 3.315 + 1614TIP3 H254736 3.181 -2.909 3.326 + 1614TIP3 OH254737 1.385 -2.920 4.234 + 1614TIP3 H154738 1.481 -2.922 4.245 + 1614TIP3 H254739 1.359 -2.843 4.286 + 1614TIP3 OH254740 2.312 -2.539 3.699 + 1614TIP3 H154741 2.309 -2.526 3.603 + 1614TIP3 H254742 2.310 -2.448 3.733 + 1614TIP3 OH254743 1.689 -2.625 3.861 + 1614TIP3 H154744 1.703 -2.671 3.947 + 1614TIP3 H254745 1.604 -2.661 3.834 + 1614TIP3 OH254746 2.637 -2.595 3.416 + 1614TIP3 H154747 2.692 -2.662 3.371 + 1614TIP3 H254748 2.631 -2.633 3.506 + 1614TIP3 OH254749 2.577 -2.657 3.694 + 1614TIP3 H154750 2.483 -2.637 3.710 + 1614TIP3 H254751 2.594 -2.720 3.766 + 1614TIP3 OH254752 1.890 -4.213 4.297 + 1614TIP3 H154753 1.818 -4.222 4.234 + 1614TIP3 H254754 1.904 -4.116 4.303 + 1614TIP3 OH254755 2.343 -3.993 3.343 + 1614TIP3 H154756 2.288 -4.007 3.424 + 1614TIP3 H254757 2.293 -4.050 3.281 + 1615TIP3 OH254758 1.892 -3.705 3.884 + 1615TIP3 H154759 1.796 -3.712 3.870 + 1615TIP3 H254760 1.924 -3.727 3.795 + 1615TIP3 OH254761 2.507 -3.705 4.017 + 1615TIP3 H154762 2.522 -3.629 3.958 + 1615TIP3 H254763 2.552 -3.779 3.969 + 1615TIP3 OH254764 1.972 -3.942 3.239 + 1615TIP3 H154765 1.931 -3.981 3.318 + 1615TIP3 H254766 1.895 -3.920 3.183 + 1615TIP3 OH254767 1.319 -3.947 3.941 + 1615TIP3 H154768 1.370 -3.958 4.023 + 1615TIP3 H254769 1.367 -3.998 3.875 + 1615TIP3 OH254770 1.473 -3.911 3.514 + 1615TIP3 H154771 1.524 -3.860 3.448 + 1615TIP3 H254772 1.400 -3.847 3.532 + 1615TIP3 OH254773 2.164 -3.941 3.971 + 1615TIP3 H154774 2.071 -3.956 3.994 + 1615TIP3 H254775 2.208 -3.973 4.053 + 1615TIP3 OH254776 1.627 -3.825 3.850 + 1615TIP3 H154777 1.541 -3.797 3.811 + 1615TIP3 H254778 1.647 -3.908 3.803 + 1615TIP3 OH254779 1.998 -3.796 3.622 + 1615TIP3 H154780 2.089 -3.765 3.621 + 1615TIP3 H254781 1.956 -3.742 3.552 + 1615TIP3 OH254782 2.600 -4.070 4.267 + 1615TIP3 H154783 2.571 -4.045 4.357 + 1615TIP3 H254784 2.516 -4.078 4.219 + 1615TIP3 OH254785 1.839 -3.677 3.401 + 1615TIP3 H154786 1.776 -3.694 3.329 + 1615TIP3 H254787 1.918 -3.654 3.348 + 1616TIP3 OH254788 2.253 -3.706 4.190 + 1616TIP3 H154789 2.322 -3.741 4.132 + 1616TIP3 H254790 2.255 -3.769 4.264 + 1616TIP3 OH254791 1.783 -4.067 3.790 + 1616TIP3 H154792 1.734 -4.150 3.804 + 1616TIP3 H254793 1.867 -4.099 3.754 + 1616TIP3 OH254794 2.212 -3.252 3.595 + 1616TIP3 H154795 2.131 -3.277 3.546 + 1616TIP3 H254796 2.177 -3.225 3.682 + 1616TIP3 OH254797 2.601 -3.895 3.372 + 1616TIP3 H154798 2.505 -3.914 3.367 + 1616TIP3 H254799 2.609 -3.829 3.442 + 1616TIP3 OH254800 1.678 -3.299 4.174 + 1616TIP3 H154801 1.737 -3.286 4.099 + 1616TIP3 H254802 1.726 -3.368 4.223 + 1616TIP3 OH254803 2.421 -3.072 3.479 + 1616TIP3 H154804 2.388 -2.985 3.510 + 1616TIP3 H254805 2.348 -3.131 3.505 + 1616TIP3 OH254806 3.126 -3.743 3.544 + 1616TIP3 H154807 3.073 -3.776 3.470 + 1616TIP3 H254808 3.135 -3.648 3.523 + 1616TIP3 OH254809 2.920 -2.899 3.535 + 1616TIP3 H154810 2.934 -2.963 3.607 + 1616TIP3 H254811 2.997 -2.911 3.477 + 1616TIP3 OH254812 2.654 -3.336 4.236 + 1616TIP3 H154813 2.571 -3.368 4.274 + 1616TIP3 H254814 2.696 -3.417 4.202 + 1616TIP3 OH254815 1.934 -2.944 3.868 + 1616TIP3 H154816 1.971 -2.854 3.874 + 1616TIP3 H254817 1.839 -2.924 3.867 + 1617TIP3 OH254818 1.531 -3.464 3.353 + 1617TIP3 H154819 1.586 -3.393 3.390 + 1617TIP3 H254820 1.442 -3.436 3.383 + 1617TIP3 OH254821 2.112 -3.172 3.851 + 1617TIP3 H154822 2.080 -3.081 3.857 + 1617TIP3 H254823 2.036 -3.221 3.886 + 1617TIP3 OH254824 1.975 -2.651 3.813 + 1617TIP3 H154825 1.879 -2.636 3.819 + 1617TIP3 H254826 2.010 -2.564 3.838 + 1617TIP3 OH254827 2.687 -3.061 3.331 + 1617TIP3 H154828 2.732 -3.083 3.414 + 1617TIP3 H254829 2.595 -3.057 3.363 + 1617TIP3 OH254830 3.182 -2.599 3.359 + 1617TIP3 H154831 3.252 -2.530 3.355 + 1617TIP3 H254832 3.104 -2.541 3.362 + 1617TIP3 OH254833 2.783 -3.196 3.567 + 1617TIP3 H154834 2.763 -3.259 3.637 + 1617TIP3 H254835 2.877 -3.178 3.581 + 1617TIP3 OH254836 2.112 -2.936 3.196 + 1617TIP3 H154837 2.139 -3.012 3.141 + 1617TIP3 H254838 2.077 -2.981 3.275 + 1617TIP3 OH254839 2.025 -3.005 3.478 + 1617TIP3 H154840 2.038 -3.040 3.567 + 1617TIP3 H254841 2.024 -2.909 3.496 + 1617TIP3 OH254842 1.682 -3.240 3.507 + 1617TIP3 H154843 1.607 -3.203 3.557 + 1617TIP3 H254844 1.724 -3.158 3.474 + 1617TIP3 OH254845 2.515 -4.055 3.635 + 1617TIP3 H154846 2.539 -4.009 3.553 + 1617TIP3 H254847 2.568 -4.011 3.703 + 1618TIP3 OH254848 2.293 -2.825 3.528 + 1618TIP3 H154849 2.210 -2.776 3.546 + 1618TIP3 H254850 2.328 -2.774 3.454 + 1618TIP3 OH254851 2.297 -3.792 3.745 + 1618TIP3 H154852 2.374 -3.804 3.800 + 1618TIP3 H254853 2.233 -3.845 3.796 + 1618TIP3 OH254854 2.316 -4.173 3.829 + 1618TIP3 H154855 2.296 -4.099 3.888 + 1618TIP3 H254856 2.376 -4.132 3.763 + 1618TIP3 OH254857 2.008 -2.726 3.524 + 1618TIP3 H154858 2.003 -2.645 3.469 + 1618TIP3 H254859 1.995 -2.689 3.614 + 1618TIP3 OH254860 1.879 -4.053 3.480 + 1618TIP3 H154861 1.880 -3.972 3.533 + 1618TIP3 H254862 1.966 -4.092 3.501 + 1618TIP3 OH254863 2.763 -3.576 4.124 + 1618TIP3 H154864 2.680 -3.624 4.116 + 1618TIP3 H254865 2.820 -3.646 4.166 + 1618TIP3 OH254866 1.733 -2.967 3.388 + 1618TIP3 H154867 1.799 -2.902 3.418 + 1618TIP3 H254868 1.783 -3.011 3.317 + 1618TIP3 OH254869 1.537 -3.744 3.293 + 1618TIP3 H154870 1.549 -3.649 3.315 + 1618TIP3 H254871 1.450 -3.743 3.251 + 1618TIP3 OH254872 2.940 -2.481 4.380 + 1618TIP3 H154873 2.908 -2.434 4.301 + 1618TIP3 H254874 2.963 -2.565 4.339 + 1618TIP3 OH254875 1.555 -4.242 4.179 + 1618TIP3 H154876 1.583 -4.243 4.087 + 1618TIP3 H254877 1.585 -4.331 4.206 + 1619TIP3 OH254878 1.518 -2.892 3.797 + 1619TIP3 H154879 1.443 -2.839 3.827 + 1619TIP3 H254880 1.556 -2.836 3.729 + 1619TIP3 OH254881 2.336 -2.767 3.245 + 1619TIP3 H154882 2.260 -2.828 3.234 + 1619TIP3 H254883 2.406 -2.818 3.203 + 1619TIP3 OH254884 2.794 -2.781 3.252 + 1619TIP3 H154885 2.829 -2.852 3.309 + 1619TIP3 H254886 2.871 -2.761 3.195 + 1619TIP3 OH254887 1.877 -3.189 3.229 + 1619TIP3 H154888 1.894 -3.248 3.304 + 1619TIP3 H254889 1.961 -3.195 3.181 + 1619TIP3 OH254890 2.399 -3.058 3.188 + 1619TIP3 H154891 2.393 -3.062 3.285 + 1619TIP3 H254892 2.389 -3.153 3.166 + 1619TIP3 OH254893 1.987 -3.386 3.458 + 1619TIP3 H154894 1.921 -3.429 3.514 + 1619TIP3 H254895 2.010 -3.457 3.395 + 1619TIP3 OH254896 2.088 -3.588 3.288 + 1619TIP3 H154897 2.072 -3.585 3.191 + 1619TIP3 H254898 2.179 -3.560 3.293 + 1619TIP3 OH254899 2.991 -3.353 3.181 + 1619TIP3 H154900 3.062 -3.364 3.116 + 1619TIP3 H254901 2.996 -3.256 3.197 + 1619TIP3 OH254902 2.058 -2.465 3.395 + 1619TIP3 H154903 2.153 -2.448 3.409 + 1619TIP3 H254904 2.043 -2.414 3.315 + 1619TIP3 OH254905 1.450 -3.020 3.351 + 1619TIP3 H154906 1.545 -3.003 3.364 + 1619TIP3 H254907 1.451 -3.098 3.292 + 1620TIP3 OH254908 1.351 -2.503 3.822 + 1620TIP3 H154909 1.277 -2.538 3.770 + 1620TIP3 H254910 1.357 -2.569 3.894 + 1620TIP3 OH254911 1.391 -2.703 4.018 + 1620TIP3 H154912 1.360 -2.790 4.049 + 1620TIP3 H254913 1.414 -2.664 4.105 + 1620TIP3 OH254914 3.163 -2.598 4.268 + 1620TIP3 H154915 3.146 -2.591 4.364 + 1620TIP3 H254916 3.253 -2.563 4.265 + 1620TIP3 OH254917 3.070 -3.199 3.614 + 1620TIP3 H154918 3.159 -3.159 3.625 + 1620TIP3 H254919 3.069 -3.259 3.691 + 1620TIP3 OH254920 3.115 -3.401 3.813 + 1620TIP3 H154921 3.052 -3.460 3.859 + 1620TIP3 H254922 3.185 -3.389 3.880 + 1620TIP3 OH254923 3.100 -3.173 4.325 + 1620TIP3 H154924 3.171 -3.216 4.275 + 1620TIP3 H254925 3.110 -3.080 4.299 + 1620TIP3 OH254926 3.134 -3.456 3.465 + 1620TIP3 H154927 3.084 -3.417 3.392 + 1620TIP3 H254928 3.134 -3.383 3.529 + 1620TIP3 OH254929 2.923 -3.678 3.246 + 1620TIP3 H154930 3.007 -3.643 3.212 + 1620TIP3 H254931 2.938 -3.775 3.243 + 1620TIP3 OH254932 2.894 -3.593 3.879 + 1620TIP3 H154933 2.898 -3.689 3.878 + 1620TIP3 H254934 2.868 -3.575 3.971 + 1620TIP3 OH254935 1.397 -3.410 4.259 + 1620TIP3 H154936 1.431 -3.370 4.177 + 1620TIP3 H254937 1.473 -3.402 4.319 + 1621TIP3 OH254938 2.907 -3.961 3.223 + 1621TIP3 H154939 2.971 -4.016 3.272 + 1621TIP3 H254940 2.833 -4.022 3.210 + 1621TIP3 OH254941 2.844 -3.824 3.687 + 1621TIP3 H154942 2.881 -3.915 3.693 + 1621TIP3 H254943 2.922 -3.774 3.658 + 1621TIP3 OH254944 2.916 -3.773 4.219 + 1621TIP3 H154945 3.012 -3.773 4.234 + 1621TIP3 H254946 2.881 -3.786 4.309 + 1621TIP3 OH254947 2.920 -4.086 3.722 + 1621TIP3 H154948 2.951 -4.134 3.800 + 1621TIP3 H254949 2.869 -4.155 3.676 + 1621TIP3 OH254950 1.474 -3.981 4.188 + 1621TIP3 H154951 1.486 -4.079 4.197 + 1621TIP3 H254952 1.531 -3.951 4.259 + 1621TIP3 OH254953 1.309 -3.698 4.302 + 1621TIP3 H154954 1.351 -3.734 4.223 + 1621TIP3 H254955 1.336 -3.604 4.297 + 1621TIP3 OH254956 3.138 -4.054 3.377 + 1621TIP3 H154957 3.153 -4.141 3.335 + 1621TIP3 H254958 3.227 -4.017 3.382 + 1621TIP3 OH254959 1.369 -4.103 3.691 + 1621TIP3 H154960 1.274 -4.095 3.672 + 1621TIP3 H254961 1.409 -4.034 3.634 + 1621TIP3 OH254962 2.828 -2.573 3.897 + 1621TIP3 H154963 2.884 -2.594 3.821 + 1621TIP3 H254964 2.890 -2.531 3.958 + 1621TIP3 OH254965 1.531 -2.662 4.262 + 1621TIP3 H154966 1.565 -2.660 4.354 + 1621TIP3 H254967 1.614 -2.681 4.214 + 1622TIP3 OH254968 1.753 -2.752 4.115 + 1622TIP3 H154969 1.740 -2.845 4.143 + 1622TIP3 H254970 1.844 -2.734 4.147 + 1622TIP3 OH254971 2.020 -2.703 4.213 + 1622TIP3 H154972 2.052 -2.790 4.185 + 1622TIP3 H254973 2.033 -2.709 4.309 + 1622TIP3 OH254974 2.355 -4.108 4.125 + 1622TIP3 H154975 2.293 -4.177 4.154 + 1622TIP3 H254976 2.421 -4.161 4.076 + 1622TIP3 OH254977 2.889 -4.346 4.154 + 1622TIP3 H154978 2.941 -4.281 4.107 + 1622TIP3 H254979 2.800 -4.311 4.159 + 1622TIP3 OH254980 3.075 -4.218 3.952 + 1622TIP3 H154981 3.139 -4.246 3.886 + 1622TIP3 H254982 3.103 -4.126 3.970 + 1622TIP3 OH254983 1.593 -4.284 3.863 + 1622TIP3 H154984 1.501 -4.305 3.845 + 1622TIP3 H254985 1.627 -4.369 3.895 + 1622TIP3 OH254986 1.454 -4.290 3.488 + 1622TIP3 H154987 1.497 -4.241 3.416 + 1622TIP3 H254988 1.413 -4.218 3.539 + 1622TIP3 OH254989 2.043 -4.238 3.882 + 1622TIP3 H154990 2.140 -4.234 3.873 + 1622TIP3 H254991 2.033 -4.287 3.965 + 1622TIP3 OH254992 2.574 -4.268 4.011 + 1622TIP3 H154993 2.638 -4.276 3.940 + 1622TIP3 H254994 2.595 -4.345 4.068 + 1622TIP3 OH254995 2.707 -4.271 3.620 + 1622TIP3 H154996 2.626 -4.222 3.600 + 1622TIP3 H254997 2.675 -4.362 3.629 + 1623TIP3 OH254998 1.496 -2.697 3.592 + 1623TIP3 H154999 1.431 -2.707 3.521 + 1623TIP3 H255000 1.493 -2.601 3.603 + 1623TIP3 OH255001 1.643 -4.125 3.329 + 1623TIP3 H155002 1.714 -4.161 3.272 + 1623TIP3 H255003 1.695 -4.072 3.392 + 1623TIP3 OH255004 2.186 -4.050 3.566 + 1623TIP3 H155005 2.184 -4.141 3.604 + 1623TIP3 H255006 2.147 -3.996 3.635 + 1623TIP3 OH255007 2.362 -2.513 3.405 + 1623TIP3 H155008 2.459 -2.511 3.399 + 1623TIP3 H255009 2.342 -2.579 3.336 + 1623TIP3 OH255010 3.020 -2.611 3.651 + 1623TIP3 H155011 2.988 -2.691 3.606 + 1623TIP3 H255012 3.004 -2.543 3.582 + 1623TIP3 OH255013 1.637 -2.604 3.273 + 1623TIP3 H155014 1.614 -2.573 3.362 + 1623TIP3 H255015 1.717 -2.655 3.288 + 1623TIP3 OH255016 4.266 -3.443 4.211 + 1623TIP3 H155017 4.253 -3.490 4.295 + 1623TIP3 H255018 4.223 -3.501 4.147 + 1623TIP3 OH255019 3.584 -3.007 4.243 + 1623TIP3 H155020 3.558 -3.099 4.223 + 1623TIP3 H255021 3.680 -3.021 4.253 + 1623TIP3 OH255022 3.278 -3.665 3.779 + 1623TIP3 H155023 3.245 -3.574 3.790 + 1623TIP3 H255024 3.205 -3.707 3.731 + 1623TIP3 OH255025 3.352 -3.426 3.966 + 1623TIP3 H155026 3.376 -3.496 4.030 + 1623TIP3 H255027 3.439 -3.403 3.931 + 1624TIP3 OH255028 4.063 -3.227 4.282 + 1624TIP3 H155029 4.115 -3.272 4.214 + 1624TIP3 H255030 4.136 -3.179 4.327 + 1624TIP3 OH255031 3.734 -3.941 4.041 + 1624TIP3 H155032 3.754 -3.856 3.999 + 1624TIP3 H255033 3.702 -3.991 3.963 + 1624TIP3 OH255034 3.433 -3.674 4.100 + 1624TIP3 H155035 3.477 -3.737 4.157 + 1624TIP3 H255036 3.437 -3.719 4.014 + 1624TIP3 OH255037 3.944 -3.533 4.054 + 1624TIP3 H155038 4.016 -3.593 4.081 + 1624TIP3 H255039 3.895 -3.590 3.993 + 1624TIP3 OH255040 3.657 -3.852 4.297 + 1624TIP3 H155041 3.650 -3.757 4.281 + 1624TIP3 H255042 3.659 -3.891 4.207 + 1624TIP3 OH255043 3.341 -3.112 3.628 + 1624TIP3 H155044 3.330 -3.062 3.544 + 1624TIP3 H255045 3.362 -3.041 3.693 + 1624TIP3 OH255046 4.022 4.378 4.162 + 1624TIP3 H155047 4.041 4.288 4.193 + 1624TIP3 H255048 3.959 4.411 4.229 + 1624TIP3 OH255049 4.259 -3.431 3.630 + 1624TIP3 H155050 4.197 -3.357 3.614 + 1624TIP3 H255051 4.333 -3.408 3.575 + 1624TIP3 OH255052 4.288 -3.581 3.348 + 1624TIP3 H155053 4.365 -3.584 3.407 + 1624TIP3 H255054 4.298 -3.660 3.295 + 1624TIP3 OH255055 3.757 -3.337 3.928 + 1624TIP3 H155056 3.725 -3.380 3.847 + 1624TIP3 H255057 3.820 -3.401 3.963 + 1625TIP3 OH255058 3.856 -3.025 4.157 + 1625TIP3 H155059 3.889 -3.060 4.074 + 1625TIP3 H255060 3.936 -3.015 4.211 + 1625TIP3 OH255061 3.788 -3.472 4.280 + 1625TIP3 H155062 3.849 -3.461 4.205 + 1625TIP3 H255063 3.812 -3.399 4.339 + 1625TIP3 OH255064 4.253 -2.813 3.845 + 1625TIP3 H155065 4.300 -2.764 3.914 + 1625TIP3 H255066 4.201 -2.743 3.803 + 1625TIP3 OH255067 3.651 -3.463 3.681 + 1625TIP3 H155068 3.632 -3.386 3.624 + 1625TIP3 H255069 3.584 -3.526 3.652 + 1625TIP3 OH255070 3.269 -2.920 4.237 + 1625TIP3 H155071 3.365 -2.920 4.246 + 1625TIP3 H255072 3.245 -2.836 4.280 + 1625TIP3 OH255073 4.188 -2.539 3.699 + 1625TIP3 H155074 4.203 -2.532 3.603 + 1625TIP3 H255075 4.205 -2.450 3.731 + 1625TIP3 OH255076 3.574 -2.628 3.860 + 1625TIP3 H155077 3.590 -2.671 3.947 + 1625TIP3 H255078 3.485 -2.661 3.840 + 1625TIP3 OH255079 3.767 -4.210 4.304 + 1625TIP3 H155080 3.705 -4.218 4.231 + 1625TIP3 H255081 3.792 -4.116 4.305 + 1625TIP3 OH255082 4.226 -3.990 3.349 + 1625TIP3 H155083 4.160 -4.003 3.419 + 1625TIP3 H255084 4.191 -4.052 3.282 + 1625TIP3 OH255085 3.777 -3.707 3.885 + 1625TIP3 H155086 3.681 -3.713 3.868 + 1625TIP3 H255087 3.812 -3.725 3.795 + 1626TIP3 OH255088 4.274 -3.668 3.813 + 1626TIP3 H155089 4.270 -3.578 3.777 + 1626TIP3 H255090 4.329 -3.715 3.751 + 1626TIP3 OH255091 3.860 -3.935 3.238 + 1626TIP3 H155092 3.821 -3.978 3.316 + 1626TIP3 H255093 3.785 -3.926 3.178 + 1626TIP3 OH255094 3.197 -3.958 3.945 + 1626TIP3 H155095 3.254 -3.955 4.023 + 1626TIP3 H255096 3.255 -3.992 3.876 + 1626TIP3 OH255097 3.357 -3.913 3.515 + 1626TIP3 H155098 3.411 -3.863 3.450 + 1626TIP3 H255099 3.289 -3.846 3.535 + 1626TIP3 OH255100 4.044 -3.961 3.982 + 1626TIP3 H155101 3.952 -3.963 4.013 + 1626TIP3 H255102 4.093 -3.968 4.066 + 1626TIP3 OH255103 3.507 -3.827 3.854 + 1626TIP3 H155104 3.427 -3.797 3.808 + 1626TIP3 H255105 3.535 -3.907 3.805 + 1626TIP3 OH255106 3.867 -3.790 3.622 + 1626TIP3 H155107 3.964 -3.788 3.626 + 1626TIP3 H255108 3.845 -3.731 3.548 + 1626TIP3 OH255109 3.721 -3.669 3.396 + 1626TIP3 H155110 3.663 -3.696 3.324 + 1626TIP3 H255111 3.804 -3.652 3.348 + 1626TIP3 OH255112 4.131 -3.713 4.152 + 1626TIP3 H155113 4.196 -3.757 4.096 + 1626TIP3 H255114 4.150 -3.753 4.239 + 1626TIP3 OH255115 3.668 -4.066 3.792 + 1626TIP3 H155116 3.624 -4.152 3.803 + 1626TIP3 H255117 3.752 -4.091 3.750 + 1627TIP3 OH255118 4.073 -3.224 3.586 + 1627TIP3 H155119 3.994 -3.269 3.549 + 1627TIP3 H255120 4.050 -3.215 3.681 + 1627TIP3 OH255121 3.560 -3.307 4.170 + 1627TIP3 H155122 3.625 -3.287 4.100 + 1627TIP3 H255123 3.609 -3.370 4.224 + 1627TIP3 OH255124 4.287 -3.081 3.482 + 1627TIP3 H155125 4.259 -2.992 3.511 + 1627TIP3 H255126 4.212 -3.135 3.514 + 1627TIP3 OH255127 3.816 -2.944 3.870 + 1627TIP3 H155128 3.857 -2.856 3.875 + 1627TIP3 H255129 3.723 -2.921 3.866 + 1627TIP3 OH255130 3.417 -3.463 3.352 + 1627TIP3 H155131 3.479 -3.397 3.390 + 1627TIP3 H255132 3.332 -3.426 3.382 + 1627TIP3 OH255133 3.994 -3.174 3.856 + 1627TIP3 H155134 3.966 -3.081 3.859 + 1627TIP3 H255135 3.916 -3.220 3.892 + 1627TIP3 OH255136 3.861 -2.650 3.812 + 1627TIP3 H155137 3.765 -2.635 3.820 + 1627TIP3 H255138 3.897 -2.563 3.838 + 1627TIP3 OH255139 3.995 -2.933 3.195 + 1627TIP3 H155140 4.028 -3.009 3.144 + 1627TIP3 H255141 3.958 -2.977 3.273 + 1627TIP3 OH255142 3.887 -2.990 3.468 + 1627TIP3 H155143 3.934 -3.038 3.538 + 1627TIP3 H255144 3.897 -2.898 3.498 + 1627TIP3 OH255145 3.565 -3.242 3.505 + 1627TIP3 H155146 3.493 -3.201 3.557 + 1627TIP3 H255147 3.612 -3.162 3.475 + 1628TIP3 OH255148 4.168 -2.825 3.520 + 1628TIP3 H155149 4.089 -2.774 3.545 + 1628TIP3 H255150 4.210 -2.766 3.456 + 1628TIP3 OH255151 4.123 -3.874 3.731 + 1628TIP3 H155152 4.180 -3.799 3.759 + 1628TIP3 H255153 4.089 -3.899 3.819 + 1628TIP3 OH255154 4.194 -4.169 3.848 + 1628TIP3 H155155 4.175 -4.084 3.894 + 1628TIP3 H255156 4.271 -4.146 3.793 + 1628TIP3 OH255157 3.893 -2.718 3.527 + 1628TIP3 H155158 3.890 -2.636 3.473 + 1628TIP3 H255159 3.881 -2.683 3.618 + 1628TIP3 OH255160 3.766 -4.051 3.481 + 1628TIP3 H155161 3.768 -3.967 3.531 + 1628TIP3 H255162 3.855 -4.085 3.500 + 1628TIP3 OH255163 3.610 -2.962 3.382 + 1628TIP3 H155164 3.681 -2.909 3.422 + 1628TIP3 H255165 3.662 -3.011 3.316 + 1628TIP3 OH255166 3.422 -3.747 3.301 + 1628TIP3 H155167 3.438 -3.652 3.318 + 1628TIP3 H255168 3.347 -3.745 3.241 + 1628TIP3 OH255169 3.438 -4.245 4.178 + 1628TIP3 H155170 3.470 -4.243 4.087 + 1628TIP3 H255171 3.472 -4.332 4.206 + 1628TIP3 OH255172 3.400 -2.892 3.792 + 1628TIP3 H155173 3.327 -2.835 3.820 + 1628TIP3 H255174 3.445 -2.836 3.727 + 1628TIP3 OH255175 4.231 -2.768 3.224 + 1628TIP3 H155176 4.147 -2.819 3.227 + 1628TIP3 H255177 4.293 -2.842 3.211 + 1629TIP3 OH255178 3.762 -3.194 3.227 + 1629TIP3 H155179 3.781 -3.251 3.303 + 1629TIP3 H255180 3.848 -3.194 3.181 + 1629TIP3 OH255181 4.263 -3.061 3.183 + 1629TIP3 H155182 4.276 -3.050 3.279 + 1629TIP3 H255183 4.244 -3.156 3.177 + 1629TIP3 OH255184 3.869 -3.386 3.458 + 1629TIP3 H155185 3.810 -3.438 3.514 + 1629TIP3 H255186 3.903 -3.454 3.397 + 1629TIP3 OH255187 3.978 -3.585 3.290 + 1629TIP3 H155188 3.970 -3.578 3.193 + 1629TIP3 H255189 4.074 -3.574 3.302 + 1629TIP3 OH255190 3.957 -2.463 3.400 + 1629TIP3 H155191 4.053 -2.453 3.404 + 1629TIP3 H255192 3.938 -2.414 3.319 + 1629TIP3 OH255193 3.333 -3.024 3.359 + 1629TIP3 H155194 3.428 -2.999 3.363 + 1629TIP3 H255195 3.334 -3.093 3.290 + 1629TIP3 OH255196 3.236 -2.501 3.825 + 1629TIP3 H155197 3.167 -2.538 3.767 + 1629TIP3 H255198 3.243 -2.570 3.894 + 1629TIP3 OH255199 3.278 -2.705 4.016 + 1629TIP3 H155200 3.246 -2.791 4.048 + 1629TIP3 H255201 3.299 -2.666 4.103 + 1629TIP3 OH255202 3.283 -3.410 4.260 + 1629TIP3 H155203 3.319 -3.369 4.180 + 1629TIP3 H255204 3.358 -3.405 4.321 + 1629TIP3 OH255205 3.357 -3.983 4.188 + 1629TIP3 H155206 3.372 -4.080 4.197 + 1629TIP3 H255207 3.418 -3.949 4.255 + 1630TIP3 OH255208 3.193 -3.698 4.301 + 1630TIP3 H155209 3.241 -3.734 4.225 + 1630TIP3 H255210 3.222 -3.605 4.298 + 1630TIP3 OH255211 3.255 -4.105 3.688 + 1630TIP3 H155212 3.160 -4.089 3.674 + 1630TIP3 H255213 3.297 -4.034 3.634 + 1630TIP3 OH255214 3.427 -2.665 4.259 + 1630TIP3 H155215 3.456 -2.662 4.353 + 1630TIP3 H255216 3.513 -2.684 4.216 + 1630TIP3 OH255217 3.643 -2.754 4.111 + 1630TIP3 H155218 3.627 -2.845 4.141 + 1630TIP3 H255219 3.732 -2.735 4.147 + 1630TIP3 OH255220 3.907 -2.701 4.213 + 1630TIP3 H155221 3.940 -2.787 4.185 + 1630TIP3 H255222 3.918 -2.707 4.309 + 1630TIP3 OH255223 4.253 -4.129 4.132 + 1630TIP3 H155224 4.184 -4.192 4.157 + 1630TIP3 H255225 4.301 -4.178 4.065 + 1630TIP3 OH255226 3.477 -4.284 3.864 + 1630TIP3 H155227 3.386 -4.311 3.845 + 1630TIP3 H255228 3.517 -4.366 3.895 + 1630TIP3 OH255229 3.334 -4.290 3.486 + 1630TIP3 H155230 3.383 -4.243 3.416 + 1630TIP3 H255231 3.303 -4.216 3.541 + 1630TIP3 OH255232 3.934 -4.256 3.874 + 1630TIP3 H155233 4.027 -4.226 3.872 + 1630TIP3 H255234 3.928 -4.287 3.966 + 1630TIP3 OH255235 3.357 -2.696 3.577 + 1630TIP3 H155236 3.297 -2.696 3.501 + 1630TIP3 H255237 3.365 -2.601 3.592 + 1631TIP3 OH255238 3.528 -4.126 3.332 + 1631TIP3 H155239 3.598 -4.162 3.274 + 1631TIP3 H255240 3.582 -4.074 3.394 + 1631TIP3 OH255241 4.050 -4.068 3.556 + 1631TIP3 H155242 4.065 -4.151 3.604 + 1631TIP3 H255243 4.065 -4.000 3.625 + 1631TIP3 OH255244 4.264 -2.534 3.404 + 1631TIP3 H155245 4.351 -2.494 3.385 + 1631TIP3 H255246 4.249 -2.590 3.326 + 1631TIP3 OH255247 3.525 -2.604 3.279 + 1631TIP3 H155248 3.504 -2.573 3.368 + 1631TIP3 H255249 3.606 -2.655 3.292 + 1631TIP3 OH255250 -3.168 -1.484 3.922 + 1631TIP3 H155251 -3.161 -1.387 3.930 + 1631TIP3 H255252 -3.237 -1.492 3.856 + 1631TIP3 OH255253 -3.268 -1.545 4.247 + 1631TIP3 H155254 -3.278 -1.620 4.308 + 1631TIP3 H255255 -3.283 -1.586 4.161 + 1631TIP3 OH255256 -2.915 -1.270 4.039 + 1631TIP3 H155257 -2.954 -1.335 4.099 + 1631TIP3 H255258 -2.879 -1.209 4.107 + 1631TIP3 OH255259 -3.960 -1.124 4.243 + 1631TIP3 H155260 -3.978 -1.218 4.226 + 1631TIP3 H255261 -3.863 -1.132 4.254 + 1631TIP3 OH255262 -4.259 -1.777 3.711 + 1631TIP3 H155263 -4.293 -1.702 3.764 + 1631TIP3 H255264 -4.332 -1.837 3.725 + 1631TIP3 OH255265 -4.172 -1.505 4.009 + 1631TIP3 H155266 -4.205 -1.595 4.026 + 1631TIP3 H255267 -4.139 -1.515 3.919 + 1632TIP3 OH255268 -3.209 -0.727 4.113 + 1632TIP3 H155269 -3.146 -0.795 4.084 + 1632TIP3 H255270 -3.236 -0.758 4.201 + 1632TIP3 OH255271 -3.467 -1.317 4.280 + 1632TIP3 H155272 -3.422 -1.380 4.222 + 1632TIP3 H255273 -3.386 -1.278 4.322 + 1632TIP3 OH255274 -3.120 -1.851 4.325 + 1632TIP3 H155275 -3.071 -1.934 4.334 + 1632TIP3 H255276 -3.110 -1.831 4.230 + 1632TIP3 OH255277 -3.799 -2.057 4.039 + 1632TIP3 H155278 -3.790 -1.969 3.998 + 1632TIP3 H255279 -3.840 -2.106 3.965 + 1632TIP3 OH255280 -3.024 -2.031 3.873 + 1632TIP3 H155281 -2.967 -2.075 3.940 + 1632TIP3 H255282 -2.958 -1.999 3.810 + 1632TIP3 OH255283 -4.113 -1.791 4.104 + 1632TIP3 H155284 -4.077 -1.859 4.160 + 1632TIP3 H255285 -4.113 -1.835 4.018 + 1632TIP3 OH255286 -3.600 -1.645 4.054 + 1632TIP3 H155287 -3.528 -1.703 4.083 + 1632TIP3 H255288 -3.647 -1.704 3.992 + 1632TIP3 OH255289 -3.172 -1.198 3.793 + 1632TIP3 H155290 -3.200 -1.216 3.703 + 1632TIP3 H255291 -3.215 -1.113 3.811 + 1632TIP3 OH255292 -2.878 -2.085 4.109 + 1632TIP3 H155293 -2.909 -2.148 4.176 + 1632TIP3 H255294 -2.804 -2.044 4.158 + 1632TIP3 OH255295 -3.872 -1.956 4.296 + 1632TIP3 H155296 -3.904 -1.867 4.280 + 1632TIP3 H255297 -3.892 -2.004 4.214 + 1633TIP3 OH255298 -4.183 -1.233 3.629 + 1633TIP3 H155299 -4.264 -1.218 3.575 + 1633TIP3 H255300 -4.195 -1.169 3.701 + 1633TIP3 OH255301 -2.842 -1.135 4.257 + 1633TIP3 H155302 -2.905 -1.146 4.331 + 1633TIP3 H255303 -2.774 -1.081 4.298 + 1633TIP3 OH255304 -3.507 -2.418 4.184 + 1633TIP3 H155305 -3.516 -2.514 4.182 + 1633TIP3 H255306 -3.593 -2.390 4.221 + 1633TIP3 OH255307 -3.019 -0.887 3.965 + 1633TIP3 H155308 -2.972 -0.967 3.934 + 1633TIP3 H255309 -2.953 -0.818 3.945 + 1633TIP3 OH255310 -2.874 -1.103 3.821 + 1633TIP3 H155311 -2.928 -1.148 3.756 + 1633TIP3 H255312 -2.880 -1.165 3.897 + 1633TIP3 OH255313 -3.296 -1.530 3.642 + 1633TIP3 H155314 -3.362 -1.468 3.605 + 1633TIP3 H255315 -3.224 -1.523 3.577 + 1633TIP3 OH255316 -3.266 -1.714 3.349 + 1633TIP3 H155317 -3.197 -1.679 3.408 + 1633TIP3 H255318 -3.212 -1.766 3.288 + 1633TIP3 OH255319 -2.947 -1.529 3.750 + 1633TIP3 H155320 -3.013 -1.503 3.818 + 1633TIP3 H255321 -2.888 -1.586 3.803 + 1633TIP3 OH255322 -3.781 -1.446 3.925 + 1633TIP3 H155323 -3.820 -1.490 3.848 + 1633TIP3 H255324 -3.725 -1.515 3.963 + 1633TIP3 OH255325 -3.684 -1.135 4.159 + 1633TIP3 H155326 -3.662 -1.170 4.071 + 1633TIP3 H255327 -3.599 -1.138 4.206 + 1634TIP3 OH255328 -3.765 -1.578 4.273 + 1634TIP3 H155329 -3.699 -1.576 4.201 + 1634TIP3 H255330 -3.723 -1.525 4.342 + 1634TIP3 OH255331 -3.049 -1.584 3.493 + 1634TIP3 H155332 -3.003 -1.556 3.575 + 1634TIP3 H255333 -3.000 -1.533 3.425 + 1634TIP3 OH255334 -3.303 -0.925 3.853 + 1634TIP3 H155335 -3.257 -0.891 3.930 + 1634TIP3 H255336 -3.353 -0.848 3.822 + 1634TIP3 OH255337 -2.709 -2.410 3.451 + 1634TIP3 H155338 -2.794 -2.392 3.496 + 1634TIP3 H255339 -2.672 -2.321 3.441 + 1634TIP3 OH255340 -3.891 -1.577 3.678 + 1634TIP3 H155341 -3.915 -1.500 3.624 + 1634TIP3 H255342 -3.959 -1.641 3.655 + 1634TIP3 OH255343 -2.566 -0.997 3.296 + 1634TIP3 H155344 -2.551 -0.903 3.322 + 1634TIP3 H255345 -2.480 -1.037 3.317 + 1634TIP3 OH255346 -4.274 -1.061 4.241 + 1634TIP3 H155347 -4.180 -1.038 4.241 + 1634TIP3 H255348 -4.311 -0.982 4.284 + 1634TIP3 OH255349 -3.348 -0.653 3.700 + 1634TIP3 H155350 -3.349 -0.642 3.603 + 1634TIP3 H255351 -3.345 -0.561 3.732 + 1634TIP3 OH255352 -3.976 -0.739 3.863 + 1634TIP3 H155353 -3.954 -0.782 3.948 + 1634TIP3 H255354 -4.055 -0.790 3.839 + 1634TIP3 OH255355 -3.019 -0.710 3.418 + 1634TIP3 H155356 -2.962 -0.776 3.374 + 1634TIP3 H255357 -3.025 -0.748 3.508 + 1635TIP3 OH255358 -3.079 -0.767 3.698 + 1635TIP3 H155359 -3.175 -0.752 3.712 + 1635TIP3 H255360 -3.065 -0.840 3.761 + 1635TIP3 OH255361 -3.752 -2.329 4.294 + 1635TIP3 H155362 -3.836 -2.346 4.246 + 1635TIP3 H255363 -3.753 -2.233 4.304 + 1635TIP3 OH255364 -2.894 -1.477 3.295 + 1635TIP3 H155365 -2.914 -1.494 3.201 + 1635TIP3 H255366 -2.800 -1.452 3.289 + 1635TIP3 OH255367 -3.330 -2.104 3.340 + 1635TIP3 H155368 -3.380 -2.103 3.423 + 1635TIP3 H255369 -3.376 -2.173 3.291 + 1635TIP3 OH255370 -3.767 -1.821 3.884 + 1635TIP3 H155371 -3.863 -1.826 3.868 + 1635TIP3 H255372 -3.734 -1.842 3.794 + 1635TIP3 OH255373 -3.207 -1.765 3.763 + 1635TIP3 H155374 -3.247 -1.683 3.727 + 1635TIP3 H255375 -3.138 -1.781 3.697 + 1635TIP3 OH255376 -3.128 -1.824 4.044 + 1635TIP3 H155377 -3.156 -1.769 3.968 + 1635TIP3 H255378 -3.104 -1.906 3.996 + 1635TIP3 OH255379 -3.684 -2.059 3.238 + 1635TIP3 H155380 -3.726 -2.092 3.319 + 1635TIP3 H255381 -3.760 -2.035 3.183 + 1635TIP3 OH255382 -4.326 -2.049 3.943 + 1635TIP3 H155383 -4.301 -2.071 4.034 + 1635TIP3 H255384 -4.280 -2.116 3.893 + 1635TIP3 OH255385 -4.203 -2.017 3.522 + 1635TIP3 H155386 -4.151 -1.979 3.448 + 1635TIP3 H255387 -4.277 -1.955 3.526 + 1636TIP3 OH255388 -3.499 -2.064 3.982 + 1636TIP3 H155389 -3.593 -2.067 4.008 + 1636TIP3 H255390 -3.455 -2.082 4.066 + 1636TIP3 OH255391 -4.041 -1.933 3.848 + 1636TIP3 H155392 -4.121 -1.907 3.798 + 1636TIP3 H255393 -4.015 -2.016 3.805 + 1636TIP3 OH255394 -3.669 -1.912 3.617 + 1636TIP3 H155395 -3.574 -1.896 3.626 + 1636TIP3 H255396 -3.697 -1.847 3.549 + 1636TIP3 OH255397 -3.057 -2.196 4.285 + 1636TIP3 H155398 -3.091 -2.163 4.370 + 1636TIP3 H255399 -3.134 -2.188 4.225 + 1636TIP3 OH255400 -3.822 -1.784 3.399 + 1636TIP3 H155401 -3.885 -1.809 3.330 + 1636TIP3 H255402 -3.743 -1.763 3.347 + 1636TIP3 OH255403 -3.401 -1.822 4.188 + 1636TIP3 H155404 -3.326 -1.853 4.134 + 1636TIP3 H255405 -3.397 -1.882 4.263 + 1636TIP3 OH255406 -3.871 -2.172 3.792 + 1636TIP3 H155407 -3.918 -2.256 3.799 + 1636TIP3 H255408 -3.790 -2.197 3.745 + 1636TIP3 OH255409 -3.478 -1.324 3.583 + 1636TIP3 H155410 -3.554 -1.373 3.546 + 1636TIP3 H255411 -3.498 -1.321 3.679 + 1636TIP3 OH255412 -3.063 -2.043 3.362 + 1636TIP3 H155413 -3.161 -2.042 3.354 + 1636TIP3 H255414 -3.045 -1.967 3.421 + 1636TIP3 OH255415 -2.994 -1.856 3.568 + 1636TIP3 H155416 -2.901 -1.880 3.583 + 1636TIP3 H255417 -2.986 -1.768 3.525 + 1637TIP3 OH255418 -3.975 -1.395 4.183 + 1637TIP3 H155419 -3.926 -1.400 4.100 + 1637TIP3 H255420 -3.948 -1.479 4.224 + 1637TIP3 OH255421 -3.238 -1.188 3.477 + 1637TIP3 H155422 -3.264 -1.101 3.513 + 1637TIP3 H255423 -3.315 -1.242 3.503 + 1637TIP3 OH255424 -2.535 -1.864 3.537 + 1637TIP3 H155425 -2.591 -1.879 3.459 + 1637TIP3 H255426 -2.522 -1.767 3.527 + 1637TIP3 OH255427 -2.717 -0.998 3.546 + 1637TIP3 H155428 -2.737 -1.074 3.603 + 1637TIP3 H255429 -2.659 -1.036 3.479 + 1637TIP3 OH255430 -3.002 -1.448 4.247 + 1637TIP3 H155431 -3.092 -1.479 4.268 + 1637TIP3 H255432 -2.965 -1.526 4.202 + 1637TIP3 OH255433 -3.725 -1.058 3.873 + 1637TIP3 H155434 -3.686 -0.969 3.874 + 1637TIP3 H255435 -3.819 -1.037 3.863 + 1637TIP3 OH255436 -4.151 -1.560 3.360 + 1637TIP3 H155437 -4.083 -1.500 3.397 + 1637TIP3 H255438 -4.231 -1.515 3.390 + 1637TIP3 OH255439 -3.544 -1.287 3.862 + 1637TIP3 H155440 -3.577 -1.196 3.862 + 1637TIP3 H255441 -3.622 -1.336 3.893 + 1637TIP3 OH255442 -3.681 -0.765 3.812 + 1637TIP3 H155443 -3.777 -0.752 3.819 + 1637TIP3 H255444 -3.647 -0.677 3.839 + 1637TIP3 OH255445 -2.967 -1.156 3.336 + 1637TIP3 H155446 -2.927 -1.201 3.412 + 1637TIP3 H255447 -3.061 -1.169 3.359 + 1638TIP3 OH255448 -2.495 -0.730 3.390 + 1638TIP3 H155449 -2.425 -0.666 3.369 + 1638TIP3 H255450 -2.572 -0.670 3.390 + 1638TIP3 OH255451 -2.872 -1.295 3.574 + 1638TIP3 H155452 -2.899 -1.366 3.635 + 1638TIP3 H255453 -2.775 -1.296 3.583 + 1638TIP3 OH255454 -3.540 -1.047 3.201 + 1638TIP3 H155455 -3.521 -1.121 3.139 + 1638TIP3 H255456 -3.588 -1.093 3.272 + 1638TIP3 OH255457 -3.661 -1.100 3.467 + 1638TIP3 H155458 -3.611 -1.151 3.532 + 1638TIP3 H255459 -3.648 -1.008 3.497 + 1638TIP3 OH255460 -3.984 -1.359 3.503 + 1638TIP3 H155461 -4.056 -1.317 3.556 + 1638TIP3 H255462 -3.938 -1.277 3.474 + 1638TIP3 OH255463 -3.143 -2.170 3.630 + 1638TIP3 H155464 -3.124 -2.115 3.552 + 1638TIP3 H255465 -3.101 -2.118 3.701 + 1638TIP3 OH255466 -3.364 -0.936 3.529 + 1638TIP3 H155467 -3.447 -0.889 3.545 + 1638TIP3 H255468 -3.331 -0.892 3.449 + 1638TIP3 OH255469 -3.402 -1.967 3.726 + 1638TIP3 H155470 -3.328 -1.906 3.742 + 1638TIP3 H255471 -3.435 -1.984 3.816 + 1638TIP3 OH255472 -3.349 -2.269 3.820 + 1638TIP3 H155473 -3.366 -2.201 3.888 + 1638TIP3 H255474 -3.274 -2.228 3.772 + 1638TIP3 OH255475 -3.645 -0.829 3.526 + 1638TIP3 H155476 -3.651 -0.747 3.472 + 1638TIP3 H255477 -3.660 -0.796 3.616 + 1639TIP3 OH255478 -3.772 -2.164 3.481 + 1639TIP3 H155479 -3.775 -2.082 3.533 + 1639TIP3 H255480 -3.686 -2.200 3.510 + 1639TIP3 OH255481 -2.897 -1.689 4.146 + 1639TIP3 H155482 -2.974 -1.737 4.110 + 1639TIP3 H255483 -2.839 -1.763 4.175 + 1639TIP3 OH255484 -3.932 -1.075 3.385 + 1639TIP3 H155485 -3.855 -1.030 3.423 + 1639TIP3 H255486 -3.888 -1.126 3.316 + 1639TIP3 OH255487 -4.115 -1.858 3.302 + 1639TIP3 H155488 -4.110 -1.762 3.316 + 1639TIP3 H255489 -4.194 -1.869 3.247 + 1639TIP3 OH255490 -2.764 -0.706 4.317 + 1639TIP3 H155491 -2.828 -0.720 4.246 + 1639TIP3 H255492 -2.681 -0.741 4.284 + 1639TIP3 OH255493 -4.019 -2.374 4.167 + 1639TIP3 H155494 -4.058 -2.362 4.078 + 1639TIP3 H255495 -4.076 -2.443 4.205 + 1639TIP3 OH255496 -4.138 -0.992 3.803 + 1639TIP3 H155497 -4.230 -0.961 3.801 + 1639TIP3 H255498 -4.105 -0.959 3.718 + 1639TIP3 OH255499 -3.321 -0.882 3.247 + 1639TIP3 H155500 -3.400 -0.940 3.235 + 1639TIP3 H255501 -3.253 -0.938 3.206 + 1639TIP3 OH255502 -2.859 -0.890 3.255 + 1639TIP3 H155503 -2.845 -0.970 3.307 + 1639TIP3 H255504 -2.779 -0.887 3.199 + 1639TIP3 OH255505 -3.781 -1.304 3.230 + 1639TIP3 H155506 -3.760 -1.366 3.302 + 1639TIP3 H255507 -3.698 -1.307 3.178 + 1640TIP3 OH255508 -3.250 -1.175 3.189 + 1640TIP3 H155509 -3.263 -1.178 3.285 + 1640TIP3 H255510 -3.260 -1.270 3.167 + 1640TIP3 OH255511 -3.670 -1.501 3.463 + 1640TIP3 H155512 -3.734 -1.549 3.518 + 1640TIP3 H255513 -3.644 -1.569 3.399 + 1640TIP3 OH255514 -3.577 -1.700 3.284 + 1640TIP3 H155515 -3.580 -1.686 3.188 + 1640TIP3 H255516 -3.480 -1.700 3.301 + 1640TIP3 OH255517 -2.625 -1.446 3.220 + 1640TIP3 H155518 -2.633 -1.489 3.134 + 1640TIP3 H255519 -2.635 -1.352 3.195 + 1640TIP3 OH255520 -3.600 -0.577 3.393 + 1640TIP3 H155521 -3.505 -0.564 3.406 + 1640TIP3 H255522 -3.613 -0.532 3.309 + 1640TIP3 OH255523 -4.198 -1.082 3.295 + 1640TIP3 H155524 -4.125 -1.088 3.359 + 1640TIP3 H255525 -4.218 -1.174 3.275 + 1640TIP3 OH255526 -4.273 -0.799 4.018 + 1640TIP3 H155527 -4.273 -0.893 4.042 + 1640TIP3 H255528 -4.245 -0.760 4.102 + 1640TIP3 OH255529 -2.491 -0.671 4.272 + 1640TIP3 H155530 -2.512 -0.685 4.366 + 1640TIP3 H255531 -2.394 -0.675 4.276 + 1640TIP3 OH255532 -2.586 -1.309 3.614 + 1640TIP3 H155533 -2.495 -1.276 3.629 + 1640TIP3 H255534 -2.594 -1.372 3.687 + 1640TIP3 OH255535 -2.537 -1.515 3.814 + 1640TIP3 H155536 -2.603 -1.571 3.859 + 1640TIP3 H255537 -2.468 -1.503 3.883 + 1641TIP3 OH255538 -2.568 -1.281 4.328 + 1641TIP3 H155539 -2.505 -1.334 4.278 + 1641TIP3 H255540 -2.561 -1.194 4.288 + 1641TIP3 OH255541 -2.510 -1.568 3.467 + 1641TIP3 H155542 -2.562 -1.540 3.390 + 1641TIP3 H255543 -2.523 -1.493 3.527 + 1641TIP3 OH255544 -2.690 -1.811 3.295 + 1641TIP3 H155545 -2.661 -1.753 3.224 + 1641TIP3 H255546 -2.711 -1.894 3.248 + 1641TIP3 OH255547 -2.746 -1.704 3.905 + 1641TIP3 H155548 -2.755 -1.799 3.904 + 1641TIP3 H255549 -2.782 -1.681 3.993 + 1641TIP3 OH255550 -2.740 -2.076 3.217 + 1641TIP3 H155551 -2.679 -2.126 3.274 + 1641TIP3 H255552 -2.819 -2.133 3.212 + 1641TIP3 OH255553 -2.754 -2.037 3.668 + 1641TIP3 H155554 -2.728 -2.092 3.744 + 1641TIP3 H255555 -2.671 -1.993 3.642 + 1641TIP3 OH255556 -2.731 -1.883 4.227 + 1641TIP3 H155557 -2.635 -1.877 4.240 + 1641TIP3 H255558 -2.764 -1.878 4.319 + 1641TIP3 OH255559 -2.871 -2.655 3.655 + 1641TIP3 H155560 -2.829 -2.623 3.737 + 1641TIP3 H255561 -2.891 -2.571 3.612 + 1641TIP3 OH255562 -4.165 -2.080 4.194 + 1641TIP3 H155563 -4.174 -2.175 4.210 + 1641TIP3 H255564 -4.112 -2.054 4.269 + 1641TIP3 OH255565 -4.338 -1.824 4.317 + 1641TIP3 H155566 -4.311 -1.871 4.236 + 1641TIP3 H255567 -4.295 -1.738 4.306 + 1642TIP3 OH255568 -2.516 -2.182 3.373 + 1642TIP3 H155569 -2.483 -2.263 3.330 + 1642TIP3 H255570 -2.435 -2.130 3.384 + 1642TIP3 OH255571 -4.315 -2.228 3.648 + 1642TIP3 H155572 -4.400 -2.199 3.612 + 1642TIP3 H255573 -4.256 -2.157 3.612 + 1642TIP3 OH255574 -2.826 -0.684 3.907 + 1642TIP3 H155575 -2.784 -0.708 3.823 + 1642TIP3 H255576 -2.754 -0.635 3.950 + 1642TIP3 OH255577 -4.157 -0.785 4.267 + 1642TIP3 H155578 -4.131 -0.772 4.360 + 1642TIP3 H255579 -4.068 -0.785 4.227 + 1642TIP3 OH255580 -3.909 -0.863 4.115 + 1642TIP3 H155581 -3.921 -0.956 4.144 + 1642TIP3 H255582 -3.819 -0.843 4.149 + 1642TIP3 OH255583 -3.636 -0.817 4.212 + 1642TIP3 H155584 -3.608 -0.904 4.183 + 1642TIP3 H255585 -3.625 -0.825 4.308 + 1642TIP3 OH255586 -3.298 -2.219 4.131 + 1642TIP3 H155587 -3.361 -2.290 4.155 + 1642TIP3 H255588 -3.233 -2.267 4.077 + 1642TIP3 OH255589 -2.802 -2.438 4.157 + 1642TIP3 H155590 -2.725 -2.380 4.144 + 1642TIP3 H255591 -2.878 -2.387 4.126 + 1642TIP3 OH255592 -2.549 -2.310 3.995 + 1642TIP3 H155593 -2.507 -2.364 3.925 + 1642TIP3 H255594 -2.519 -2.220 3.973 + 1642TIP3 OH255595 -4.105 -2.369 3.884 + 1642TIP3 H155596 -4.180 -2.397 3.830 + 1642TIP3 H255597 -4.045 -2.446 3.876 + 1643TIP3 OH255598 -4.182 -2.407 3.467 + 1643TIP3 H155599 -4.132 -2.339 3.418 + 1643TIP3 H255600 -4.233 -2.352 3.529 + 1643TIP3 OH255601 -3.609 -2.387 3.886 + 1643TIP3 H155602 -3.523 -2.344 3.874 + 1643TIP3 H255603 -3.615 -2.392 3.982 + 1643TIP3 OH255604 -3.048 -2.368 4.009 + 1643TIP3 H155605 -3.031 -2.389 3.916 + 1643TIP3 H255606 -3.088 -2.451 4.041 + 1643TIP3 OH255607 -2.962 -2.394 3.599 + 1643TIP3 H155608 -3.018 -2.313 3.598 + 1643TIP3 H255609 -3.024 -2.458 3.638 + 1643TIP3 OH255610 -4.186 -0.807 3.572 + 1643TIP3 H155611 -4.250 -0.827 3.503 + 1643TIP3 H255612 -4.186 -0.710 3.572 + 1643TIP3 OH255613 -4.007 -2.221 3.320 + 1643TIP3 H155614 -3.947 -2.277 3.268 + 1643TIP3 H255615 -3.948 -2.190 3.391 + 1643TIP3 OH255616 -3.504 -2.220 3.580 + 1643TIP3 H155617 -3.464 -2.270 3.653 + 1643TIP3 H255618 -3.484 -2.130 3.609 + 1643TIP3 OH255619 -3.295 -0.626 3.404 + 1643TIP3 H155620 -3.197 -0.627 3.401 + 1643TIP3 H255621 -3.315 -0.693 3.337 + 1643TIP3 OH255622 -2.646 -0.725 3.664 + 1643TIP3 H155623 -2.668 -0.809 3.620 + 1643TIP3 H255624 -2.648 -0.663 3.589 + 1643TIP3 OH255625 -4.014 -0.703 3.272 + 1643TIP3 H155626 -4.040 -0.693 3.364 + 1643TIP3 H255627 -3.946 -0.773 3.277 + 1644TIP3 OH255628 -1.282 -1.483 3.924 + 1644TIP3 H155629 -1.276 -1.386 3.928 + 1644TIP3 H255630 -1.350 -1.495 3.856 + 1644TIP3 OH255631 -1.384 -1.543 4.247 + 1644TIP3 H155632 -1.391 -1.618 4.309 + 1644TIP3 H255633 -1.397 -1.587 4.161 + 1644TIP3 OH255634 -1.029 -1.267 4.037 + 1644TIP3 H155635 -1.069 -1.336 4.093 + 1644TIP3 H255636 -0.996 -1.208 4.109 + 1644TIP3 OH255637 -2.074 -1.121 4.246 + 1644TIP3 H155638 -2.100 -1.213 4.223 + 1644TIP3 H255639 -1.978 -1.136 4.258 + 1644TIP3 OH255640 -2.379 -1.773 3.777 + 1644TIP3 H155641 -2.419 -1.685 3.786 + 1644TIP3 H255642 -2.450 -1.823 3.736 + 1644TIP3 OH255643 -2.302 -1.537 3.975 + 1644TIP3 H155644 -2.280 -1.615 4.028 + 1644TIP3 H255645 -2.219 -1.524 3.927 + 1644TIP3 OH255646 -1.322 -0.727 4.114 + 1644TIP3 H155647 -1.260 -0.796 4.084 + 1644TIP3 H255648 -1.352 -0.759 4.201 + 1644TIP3 OH255649 -1.580 -1.314 4.278 + 1644TIP3 H155650 -1.537 -1.382 4.223 + 1644TIP3 H255651 -1.500 -1.278 4.321 + 1644TIP3 OH255652 -1.230 -1.840 4.323 + 1644TIP3 H155653 -1.191 -1.927 4.341 + 1644TIP3 H255654 -1.226 -1.835 4.225 + 1644TIP3 OH255655 -1.922 -2.053 4.043 + 1644TIP3 H155656 -1.903 -1.970 3.996 + 1644TIP3 H255657 -1.952 -2.108 3.968 + 1645TIP3 OH255658 -1.129 -2.031 3.871 + 1645TIP3 H155659 -1.074 -2.077 3.938 + 1645TIP3 H255660 -1.061 -1.990 3.816 + 1645TIP3 OH255661 -2.223 -1.787 4.100 + 1645TIP3 H155662 -2.180 -1.851 4.156 + 1645TIP3 H255663 -2.221 -1.833 4.014 + 1645TIP3 OH255664 -1.717 -1.646 4.056 + 1645TIP3 H155665 -1.641 -1.701 4.083 + 1645TIP3 H255666 -1.761 -1.704 3.991 + 1645TIP3 OH255667 -1.281 -1.193 3.791 + 1645TIP3 H155668 -1.318 -1.221 3.706 + 1645TIP3 H255669 -1.331 -1.111 3.810 + 1645TIP3 OH255670 -0.949 -2.115 4.072 + 1645TIP3 H155671 -0.983 -2.175 4.140 + 1645TIP3 H255672 -0.897 -2.055 4.129 + 1645TIP3 OH255673 -1.997 -1.962 4.298 + 1645TIP3 H155674 -2.011 -1.870 4.275 + 1645TIP3 H255675 -2.000 -2.009 4.212 + 1645TIP3 OH255676 -2.311 -1.226 3.627 + 1645TIP3 H155677 -2.329 -1.176 3.546 + 1645TIP3 H255678 -2.293 -1.156 3.693 + 1645TIP3 OH255679 -0.958 -1.132 4.258 + 1645TIP3 H155680 -1.018 -1.152 4.333 + 1645TIP3 H255681 -0.881 -1.097 4.304 + 1645TIP3 OH255682 -1.622 -2.417 4.178 + 1645TIP3 H155683 -1.626 -2.514 4.186 + 1645TIP3 H255684 -1.705 -2.391 4.222 + 1645TIP3 OH255685 -1.133 -0.888 3.969 + 1645TIP3 H155686 -1.088 -0.968 3.936 + 1645TIP3 H255687 -1.070 -0.818 3.945 + 1646TIP3 OH255688 -0.988 -1.101 3.819 + 1646TIP3 H155689 -1.044 -1.149 3.757 + 1646TIP3 H255690 -0.993 -1.162 3.896 + 1646TIP3 OH255691 -1.409 -1.526 3.644 + 1646TIP3 H155692 -1.476 -1.470 3.600 + 1646TIP3 H255693 -1.338 -1.527 3.577 + 1646TIP3 OH255694 -1.382 -1.710 3.348 + 1646TIP3 H155695 -1.310 -1.679 3.407 + 1646TIP3 H255696 -1.333 -1.768 3.289 + 1646TIP3 OH255697 -1.060 -1.527 3.750 + 1646TIP3 H155698 -1.126 -1.507 3.819 + 1646TIP3 H255699 -0.998 -1.585 3.799 + 1646TIP3 OH255700 -1.897 -1.448 3.924 + 1646TIP3 H155701 -1.934 -1.493 3.846 + 1646TIP3 H255702 -1.840 -1.516 3.964 + 1646TIP3 OH255703 -1.797 -1.130 4.155 + 1646TIP3 H155704 -1.775 -1.174 4.073 + 1646TIP3 H255705 -1.717 -1.141 4.208 + 1646TIP3 OH255706 -1.880 -1.561 4.270 + 1646TIP3 H155707 -1.812 -1.580 4.201 + 1646TIP3 H255708 -1.826 -1.544 4.348 + 1646TIP3 OH255709 -1.165 -1.581 3.494 + 1646TIP3 H155710 -1.116 -1.558 3.575 + 1646TIP3 H255711 -1.114 -1.532 3.425 + 1646TIP3 OH255712 -1.414 -0.923 3.852 + 1646TIP3 H155713 -1.373 -0.890 3.932 + 1646TIP3 H255714 -1.467 -0.847 3.822 + 1646TIP3 OH255715 -0.819 -2.411 3.445 + 1646TIP3 H155716 -0.907 -2.401 3.486 + 1646TIP3 H255717 -0.784 -2.320 3.449 + 1647TIP3 OH255718 -2.009 -1.575 3.683 + 1647TIP3 H155719 -2.028 -1.502 3.622 + 1647TIP3 H255720 -2.069 -1.643 3.653 + 1647TIP3 OH255721 -0.679 -0.992 3.303 + 1647TIP3 H155722 -0.657 -0.898 3.317 + 1647TIP3 H255723 -0.592 -1.035 3.313 + 1647TIP3 OH255724 -2.388 -1.033 4.237 + 1647TIP3 H155725 -2.291 -1.040 4.243 + 1647TIP3 H255726 -2.406 -0.953 4.287 + 1647TIP3 OH255727 -1.460 -0.652 3.700 + 1647TIP3 H155728 -1.464 -0.642 3.603 + 1647TIP3 H255729 -1.461 -0.561 3.732 + 1647TIP3 OH255730 -2.083 -0.738 3.863 + 1647TIP3 H155731 -2.068 -0.785 3.947 + 1647TIP3 H255732 -2.166 -0.778 3.834 + 1647TIP3 OH255733 -1.132 -0.709 3.418 + 1647TIP3 H155734 -1.076 -0.776 3.373 + 1647TIP3 H255735 -1.142 -0.749 3.507 + 1647TIP3 OH255736 -1.192 -0.769 3.699 + 1647TIP3 H155737 -1.287 -0.750 3.710 + 1647TIP3 H255738 -1.183 -0.843 3.761 + 1647TIP3 OH255739 -1.862 -2.324 4.290 + 1647TIP3 H155740 -1.944 -2.344 4.243 + 1647TIP3 H255741 -1.869 -2.229 4.308 + 1647TIP3 OH255742 -1.007 -1.472 3.296 + 1647TIP3 H155743 -1.030 -1.493 3.204 + 1647TIP3 H255744 -0.911 -1.454 3.287 + 1647TIP3 OH255745 -1.446 -2.099 3.346 + 1647TIP3 H155746 -1.493 -2.115 3.428 + 1647TIP3 H255747 -1.485 -2.167 3.289 + 1648TIP3 OH255748 -1.879 -1.819 3.883 + 1648TIP3 H155749 -1.975 -1.830 3.867 + 1648TIP3 H255750 -1.844 -1.843 3.795 + 1648TIP3 OH255751 -1.320 -1.763 3.765 + 1648TIP3 H155752 -1.362 -1.683 3.727 + 1648TIP3 H255753 -1.252 -1.783 3.698 + 1648TIP3 OH255754 -1.241 -1.824 4.042 + 1648TIP3 H155755 -1.269 -1.770 3.966 + 1648TIP3 H255756 -1.219 -1.907 3.995 + 1648TIP3 OH255757 -1.801 -2.050 3.236 + 1648TIP3 H155758 -1.836 -2.088 3.319 + 1648TIP3 H255759 -1.881 -2.042 3.182 + 1648TIP3 OH255760 -2.454 -2.061 3.940 + 1648TIP3 H155761 -2.399 -2.066 4.021 + 1648TIP3 H255762 -2.399 -2.103 3.872 + 1648TIP3 OH255763 -2.298 -2.024 3.512 + 1648TIP3 H155764 -2.242 -1.976 3.447 + 1648TIP3 H255765 -2.367 -1.957 3.530 + 1648TIP3 OH255766 -1.611 -2.055 3.986 + 1648TIP3 H155767 -1.704 -2.072 4.007 + 1648TIP3 H255768 -1.566 -2.088 4.065 + 1648TIP3 OH255769 -2.148 -1.938 3.854 + 1648TIP3 H155770 -2.229 -1.913 3.807 + 1648TIP3 H255771 -2.118 -2.018 3.806 + 1648TIP3 OH255772 -1.785 -1.904 3.623 + 1648TIP3 H155773 -1.688 -1.900 3.627 + 1648TIP3 H255774 -1.808 -1.847 3.548 + 1648TIP3 OH255775 -1.168 -2.182 4.273 + 1648TIP3 H155776 -1.204 -2.166 4.361 + 1648TIP3 H255777 -1.247 -2.193 4.219 + 1649TIP3 OH255778 -1.940 -1.780 3.399 + 1649TIP3 H155779 -1.998 -1.812 3.329 + 1649TIP3 H255780 -1.858 -1.762 3.349 + 1649TIP3 OH255781 -1.515 -1.819 4.194 + 1649TIP3 H155782 -1.447 -1.855 4.134 + 1649TIP3 H255783 -1.514 -1.886 4.264 + 1649TIP3 OH255784 -1.973 -2.166 3.785 + 1649TIP3 H155785 -2.032 -2.242 3.800 + 1649TIP3 H255786 -1.893 -2.208 3.750 + 1649TIP3 OH255787 -1.595 -1.321 3.582 + 1649TIP3 H155788 -1.669 -1.374 3.546 + 1649TIP3 H255789 -1.612 -1.323 3.678 + 1649TIP3 OH255790 -1.177 -2.042 3.361 + 1649TIP3 H155791 -1.275 -2.043 3.356 + 1649TIP3 H255792 -1.158 -1.967 3.421 + 1649TIP3 OH255793 -1.109 -1.857 3.566 + 1649TIP3 H155794 -1.021 -1.875 3.604 + 1649TIP3 H255795 -1.095 -1.772 3.520 + 1649TIP3 OH255796 -2.093 -1.412 4.175 + 1649TIP3 H155797 -2.035 -1.401 4.098 + 1649TIP3 H255798 -2.043 -1.481 4.223 + 1649TIP3 OH255799 -1.352 -1.187 3.474 + 1649TIP3 H155800 -1.380 -1.101 3.513 + 1649TIP3 H255801 -1.426 -1.244 3.501 + 1649TIP3 OH255802 -0.651 -1.861 3.540 + 1649TIP3 H155803 -0.704 -1.881 3.461 + 1649TIP3 H255804 -0.638 -1.765 3.525 + 1649TIP3 OH255805 -0.795 -0.998 3.561 + 1649TIP3 H155806 -0.850 -1.068 3.602 + 1649TIP3 H255807 -0.786 -1.032 3.470 + 1650TIP3 OH255808 -1.117 -1.448 4.247 + 1650TIP3 H155809 -1.206 -1.480 4.267 + 1650TIP3 H255810 -1.078 -1.525 4.200 + 1650TIP3 OH255811 -1.840 -1.058 3.869 + 1650TIP3 H155812 -1.800 -0.970 3.874 + 1650TIP3 H255813 -1.934 -1.037 3.865 + 1650TIP3 OH255814 -2.241 -1.576 3.350 + 1650TIP3 H155815 -2.183 -1.509 3.390 + 1650TIP3 H255816 -2.328 -1.551 3.386 + 1650TIP3 OH255817 -1.657 -1.286 3.864 + 1650TIP3 H155818 -1.694 -1.196 3.861 + 1650TIP3 H255819 -1.734 -1.337 3.893 + 1650TIP3 OH255820 -1.796 -0.764 3.812 + 1650TIP3 H155821 -1.891 -0.751 3.820 + 1650TIP3 H255822 -1.762 -0.676 3.839 + 1650TIP3 OH255823 -1.079 -1.150 3.340 + 1650TIP3 H155824 -1.042 -1.207 3.411 + 1650TIP3 H255825 -1.173 -1.166 3.357 + 1650TIP3 OH255826 -0.581 -0.746 3.416 + 1650TIP3 H155827 -0.509 -0.686 3.387 + 1650TIP3 H255828 -0.657 -0.686 3.399 + 1650TIP3 OH255829 -0.981 -1.289 3.575 + 1650TIP3 H155830 -1.015 -1.362 3.629 + 1650TIP3 H255831 -0.885 -1.298 3.587 + 1650TIP3 OH255832 -1.658 -1.051 3.195 + 1650TIP3 H155833 -1.632 -1.129 3.143 + 1650TIP3 H255834 -1.702 -1.092 3.271 + 1650TIP3 OH255835 -1.775 -1.099 3.465 + 1650TIP3 H155836 -1.725 -1.153 3.527 + 1650TIP3 H255837 -1.760 -1.008 3.499 + 1651TIP3 OH255838 -2.091 -1.355 3.504 + 1651TIP3 H155839 -2.163 -1.317 3.557 + 1651TIP3 H255840 -2.043 -1.275 3.477 + 1651TIP3 OH255841 -1.261 -2.163 3.633 + 1651TIP3 H155842 -1.241 -2.112 3.553 + 1651TIP3 H255843 -1.215 -2.113 3.702 + 1651TIP3 OH255844 -1.478 -0.935 3.529 + 1651TIP3 H155845 -1.562 -0.888 3.545 + 1651TIP3 H255846 -1.446 -0.891 3.448 + 1651TIP3 OH255847 -1.521 -1.963 3.727 + 1651TIP3 H155848 -1.443 -1.906 3.744 + 1651TIP3 H255849 -1.550 -1.983 3.818 + 1651TIP3 OH255850 -1.462 -2.264 3.819 + 1651TIP3 H155851 -1.476 -2.199 3.890 + 1651TIP3 H255852 -1.388 -2.223 3.770 + 1651TIP3 OH255853 -1.758 -0.829 3.528 + 1651TIP3 H155854 -1.766 -0.748 3.474 + 1651TIP3 H255855 -1.773 -0.795 3.618 + 1651TIP3 OH255856 -1.888 -2.162 3.473 + 1651TIP3 H155857 -1.887 -2.089 3.537 + 1651TIP3 H255858 -1.809 -2.212 3.500 + 1651TIP3 OH255859 -1.010 -1.685 4.138 + 1651TIP3 H155860 -1.089 -1.733 4.108 + 1651TIP3 H255861 -0.954 -1.759 4.172 + 1651TIP3 OH255862 -2.048 -1.074 3.380 + 1651TIP3 H155863 -1.973 -1.027 3.421 + 1651TIP3 H255864 -1.999 -1.125 3.314 + 1651TIP3 OH255865 -2.233 -1.856 3.294 + 1651TIP3 H155866 -2.221 -1.762 3.316 + 1651TIP3 H255867 -2.319 -1.856 3.251 + 1652TIP3 OH255868 -0.878 -0.688 4.279 + 1652TIP3 H155869 -0.959 -0.736 4.265 + 1652TIP3 H255870 -0.812 -0.754 4.302 + 1652TIP3 OH255871 -2.169 -2.312 4.179 + 1652TIP3 H155872 -2.163 -2.320 4.082 + 1652TIP3 H255873 -2.163 -2.408 4.199 + 1652TIP3 OH255874 -2.253 -1.006 3.799 + 1652TIP3 H155875 -2.329 -0.952 3.825 + 1652TIP3 H255876 -2.214 -0.951 3.728 + 1652TIP3 OH255877 -1.436 -0.882 3.246 + 1652TIP3 H155878 -1.513 -0.942 3.234 + 1652TIP3 H255879 -1.366 -0.935 3.206 + 1652TIP3 OH255880 -0.970 -0.887 3.264 + 1652TIP3 H155881 -0.968 -0.980 3.294 + 1652TIP3 H255882 -0.899 -0.886 3.197 + 1652TIP3 OH255883 -1.894 -1.306 3.227 + 1652TIP3 H155884 -1.878 -1.367 3.302 + 1652TIP3 H255885 -1.809 -1.312 3.181 + 1652TIP3 OH255886 -1.368 -1.174 3.190 + 1652TIP3 H155887 -1.377 -1.180 3.286 + 1652TIP3 H255888 -1.374 -1.270 3.167 + 1652TIP3 OH255889 -1.784 -1.499 3.463 + 1652TIP3 H155890 -1.847 -1.551 3.516 + 1652TIP3 H255891 -1.755 -1.566 3.398 + 1652TIP3 OH255892 -1.690 -1.696 3.288 + 1652TIP3 H155893 -1.695 -1.692 3.191 + 1652TIP3 H255894 -1.594 -1.702 3.302 + 1652TIP3 OH255895 -0.741 -1.445 3.220 + 1652TIP3 H155896 -0.744 -1.493 3.135 + 1652TIP3 H255897 -0.750 -1.352 3.189 + 1653TIP3 OH255898 -1.714 -0.574 3.397 + 1653TIP3 H155899 -1.619 -0.563 3.408 + 1653TIP3 H255900 -1.728 -0.532 3.311 + 1653TIP3 OH255901 -2.323 -1.134 3.350 + 1653TIP3 H155902 -2.227 -1.116 3.363 + 1653TIP3 H255903 -2.320 -1.214 3.293 + 1653TIP3 OH255904 -2.419 -0.618 3.821 + 1653TIP3 H155905 -2.494 -0.654 3.770 + 1653TIP3 H255906 -2.412 -0.683 3.893 + 1653TIP3 OH255907 -2.383 -0.816 4.019 + 1653TIP3 H155908 -2.410 -0.905 4.048 + 1653TIP3 H255909 -2.357 -0.779 4.105 + 1653TIP3 OH255910 -0.593 -0.661 4.270 + 1653TIP3 H155911 -0.623 -0.682 4.360 + 1653TIP3 H255912 -0.498 -0.679 4.278 + 1653TIP3 OH255913 -0.690 -1.305 3.614 + 1653TIP3 H155914 -0.599 -1.280 3.639 + 1653TIP3 H255915 -0.708 -1.371 3.684 + 1653TIP3 OH255916 -0.652 -1.510 3.813 + 1653TIP3 H155917 -0.720 -1.567 3.853 + 1653TIP3 H255918 -0.584 -1.505 3.884 + 1653TIP3 OH255919 -0.683 -1.279 4.327 + 1653TIP3 H155920 -0.620 -1.336 4.282 + 1653TIP3 H255921 -0.668 -1.193 4.286 + 1653TIP3 OH255922 -0.632 -1.570 3.470 + 1653TIP3 H155923 -0.681 -1.543 3.390 + 1653TIP3 H255924 -0.641 -1.491 3.526 + 1653TIP3 OH255925 -0.803 -1.810 3.295 + 1653TIP3 H155926 -0.773 -1.755 3.221 + 1653TIP3 H255927 -0.826 -1.894 3.250 + 1654TIP3 OH255928 -0.865 -1.698 3.891 + 1654TIP3 H155929 -0.867 -1.794 3.876 + 1654TIP3 H255930 -0.899 -1.691 3.982 + 1654TIP3 OH255931 -2.377 -1.512 4.263 + 1654TIP3 H155932 -2.340 -1.485 4.177 + 1654TIP3 H255933 -2.298 -1.515 4.318 + 1654TIP3 OH255934 -0.857 -2.076 3.219 + 1654TIP3 H155935 -0.797 -2.128 3.274 + 1654TIP3 H255936 -0.935 -2.132 3.209 + 1654TIP3 OH255937 -0.873 -1.950 3.711 + 1654TIP3 H155938 -0.850 -2.045 3.716 + 1654TIP3 H255939 -0.793 -1.915 3.668 + 1654TIP3 OH255940 -0.854 -1.884 4.220 + 1654TIP3 H155941 -0.758 -1.887 4.236 + 1654TIP3 H255942 -0.890 -1.900 4.309 + 1654TIP3 OH255943 -0.828 -2.228 3.707 + 1654TIP3 H155944 -0.817 -2.262 3.798 + 1654TIP3 H255945 -0.907 -2.279 3.678 + 1654TIP3 OH255946 -2.310 -2.085 4.197 + 1654TIP3 H155947 -2.285 -2.180 4.196 + 1654TIP3 H255948 -2.243 -2.054 4.258 + 1654TIP3 OH255949 -2.465 -1.811 4.302 + 1654TIP3 H155950 -2.418 -1.853 4.229 + 1654TIP3 H255951 -2.432 -1.719 4.296 + 1654TIP3 OH255952 -0.630 -2.182 3.375 + 1654TIP3 H155953 -0.599 -2.261 3.328 + 1654TIP3 H255954 -0.549 -2.129 3.381 + 1654TIP3 OH255955 -2.408 -2.202 3.692 + 1654TIP3 H155956 -2.498 -2.194 3.659 + 1654TIP3 H255957 -2.357 -2.148 3.628 + 1655TIP3 OH255958 -0.945 -0.682 3.907 + 1655TIP3 H155959 -0.897 -0.710 3.829 + 1655TIP3 H255960 -0.878 -0.634 3.957 + 1655TIP3 OH255961 -2.240 -0.778 4.262 + 1655TIP3 H155962 -2.204 -0.775 4.353 + 1655TIP3 H255963 -2.157 -0.798 4.214 + 1655TIP3 OH255964 -2.019 -0.866 4.116 + 1655TIP3 H155965 -2.030 -0.960 4.142 + 1655TIP3 H255966 -1.927 -0.849 4.147 + 1655TIP3 OH255967 -1.750 -0.818 4.213 + 1655TIP3 H155968 -1.720 -0.906 4.184 + 1655TIP3 H255969 -1.738 -0.825 4.308 + 1655TIP3 OH255970 -1.414 -2.219 4.129 + 1655TIP3 H155971 -1.475 -2.291 4.155 + 1655TIP3 H255972 -1.349 -2.268 4.075 + 1655TIP3 OH255973 -0.932 -2.411 4.135 + 1655TIP3 H155974 -0.866 -2.355 4.092 + 1655TIP3 H255975 -1.015 -2.385 4.093 + 1655TIP3 OH255976 -0.707 -2.312 3.964 + 1655TIP3 H155977 -0.637 -2.353 3.912 + 1655TIP3 H255978 -0.675 -2.220 3.973 + 1655TIP3 OH255979 -2.172 -2.347 3.873 + 1655TIP3 H155980 -2.261 -2.373 3.841 + 1655TIP3 H255981 -2.138 -2.432 3.905 + 1655TIP3 OH255982 -2.302 -2.405 3.472 + 1655TIP3 H155983 -2.244 -2.341 3.426 + 1655TIP3 H255984 -2.332 -2.354 3.549 + 1655TIP3 OH255985 -1.727 -2.371 3.891 + 1655TIP3 H155986 -1.635 -2.348 3.875 + 1655TIP3 H255987 -1.726 -2.391 3.985 + 1656TIP3 OH255988 -1.180 -2.366 4.003 + 1656TIP3 H155989 -1.151 -2.394 3.915 + 1656TIP3 H255990 -1.213 -2.449 4.041 + 1656TIP3 OH255991 -1.059 -2.368 3.616 + 1656TIP3 H155992 -1.142 -2.319 3.602 + 1656TIP3 H255993 -1.093 -2.458 3.631 + 1656TIP3 OH255994 -2.276 -0.811 3.593 + 1656TIP3 H155995 -2.340 -0.823 3.521 + 1656TIP3 H255996 -2.279 -0.715 3.603 + 1656TIP3 OH255997 -2.123 -2.224 3.321 + 1656TIP3 H155998 -2.063 -2.281 3.270 + 1656TIP3 H255999 -2.063 -2.191 3.391 + 1656TIP3 OH256000 -1.614 -2.206 3.582 + 1656TIP3 H156001 -1.579 -2.264 3.653 + 1656TIP3 H256002 -1.595 -2.119 3.621 + 1656TIP3 OH256003 -1.410 -0.626 3.404 + 1656TIP3 H156004 -1.312 -0.626 3.399 + 1656TIP3 H256005 -1.430 -0.694 3.337 + 1656TIP3 OH256006 -0.753 -0.734 3.656 + 1656TIP3 H156007 -0.805 -0.808 3.616 + 1656TIP3 H256008 -0.775 -0.660 3.595 + 1656TIP3 OH256009 -2.132 -0.715 3.273 + 1656TIP3 H156010 -2.157 -0.689 3.363 + 1656TIP3 H256011 -2.056 -0.773 3.287 + 1656TIP3 OH256012 0.616 -1.478 3.916 + 1656TIP3 H156013 0.610 -1.383 3.929 + 1656TIP3 H256014 0.533 -1.497 3.872 + 1656TIP3 OH256015 0.857 -1.269 4.039 + 1656TIP3 H156016 0.811 -1.336 4.091 + 1656TIP3 H256017 0.891 -1.212 4.112 + 1657TIP3 OH256018 -0.188 -1.122 4.242 + 1657TIP3 H156019 -0.211 -1.215 4.223 + 1657TIP3 H256020 -0.093 -1.134 4.259 + 1657TIP3 OH256021 -0.493 -1.772 3.779 + 1657TIP3 H156022 -0.535 -1.685 3.785 + 1657TIP3 H256023 -0.562 -1.825 3.737 + 1657TIP3 OH256024 -0.415 -1.535 3.975 + 1657TIP3 H156025 -0.396 -1.615 4.027 + 1657TIP3 H256026 -0.332 -1.525 3.927 + 1657TIP3 OH256027 0.562 -0.726 4.115 + 1657TIP3 H156028 0.624 -0.794 4.082 + 1657TIP3 H256029 0.536 -0.761 4.202 + 1657TIP3 OH256030 0.308 -1.307 4.266 + 1657TIP3 H156031 0.339 -1.394 4.231 + 1657TIP3 H256032 0.390 -1.283 4.313 + 1657TIP3 OH256033 0.713 -1.843 4.324 + 1657TIP3 H156034 0.694 -1.937 4.333 + 1657TIP3 H256035 0.656 -1.817 4.249 + 1657TIP3 OH256036 -0.040 -2.053 4.044 + 1657TIP3 H156037 -0.017 -1.969 3.998 + 1657TIP3 H256038 -0.068 -2.106 3.967 + 1657TIP3 OH256039 0.755 -2.040 3.864 + 1657TIP3 H156040 0.809 -2.075 3.938 + 1657TIP3 H256041 0.820 -1.984 3.820 + 1657TIP3 OH256042 -0.341 -1.788 4.100 + 1657TIP3 H156043 -0.290 -1.848 4.155 + 1657TIP3 H256044 -0.336 -1.833 4.014 + 1657TIP3 OH256045 0.171 -1.653 4.056 + 1657TIP3 H156046 0.260 -1.684 4.080 + 1657TIP3 H256047 0.138 -1.723 3.997 + 1658TIP3 OH256048 0.605 -1.191 3.791 + 1658TIP3 H156049 0.568 -1.222 3.708 + 1658TIP3 H256050 0.553 -1.111 3.809 + 1658TIP3 OH256051 0.938 -2.113 4.071 + 1658TIP3 H156052 0.914 -2.178 4.139 + 1658TIP3 H256053 0.984 -2.049 4.128 + 1658TIP3 OH256054 -0.116 -1.963 4.296 + 1658TIP3 H156055 -0.120 -1.869 4.274 + 1658TIP3 H256056 -0.110 -2.006 4.209 + 1658TIP3 OH256057 -0.422 -1.207 3.644 + 1658TIP3 H156058 -0.435 -1.176 3.552 + 1658TIP3 H256059 -0.398 -1.128 3.694 + 1658TIP3 OH256060 0.930 -1.137 4.260 + 1658TIP3 H156061 0.867 -1.150 4.334 + 1658TIP3 H256062 0.999 -1.085 4.302 + 1658TIP3 OH256063 0.259 -2.417 4.176 + 1658TIP3 H156064 0.257 -2.514 4.182 + 1658TIP3 H256065 0.178 -2.391 4.223 + 1658TIP3 OH256066 0.751 -0.886 3.965 + 1658TIP3 H156067 0.797 -0.968 3.935 + 1658TIP3 H256068 0.819 -0.819 3.944 + 1658TIP3 OH256069 0.897 -1.102 3.822 + 1658TIP3 H156070 0.842 -1.148 3.757 + 1658TIP3 H256071 0.891 -1.165 3.897 + 1658TIP3 OH256072 0.473 -1.528 3.640 + 1658TIP3 H156073 0.410 -1.469 3.596 + 1658TIP3 H256074 0.548 -1.526 3.578 + 1658TIP3 OH256075 0.504 -1.710 3.347 + 1658TIP3 H156076 0.573 -1.679 3.408 + 1658TIP3 H256077 0.555 -1.767 3.288 + 1659TIP3 OH256078 0.827 -1.530 3.749 + 1659TIP3 H156079 0.758 -1.507 3.817 + 1659TIP3 H256080 0.886 -1.586 3.802 + 1659TIP3 OH256081 -0.008 -1.455 3.929 + 1659TIP3 H156082 -0.043 -1.500 3.849 + 1659TIP3 H256083 0.052 -1.522 3.965 + 1659TIP3 OH256084 0.093 -1.133 4.155 + 1659TIP3 H156085 0.115 -1.180 4.073 + 1659TIP3 H256086 0.171 -1.150 4.209 + 1659TIP3 OH256087 0.012 -1.557 4.268 + 1659TIP3 H156088 0.080 -1.577 4.201 + 1659TIP3 H256089 0.064 -1.552 4.349 + 1659TIP3 OH256090 0.722 -1.583 3.495 + 1659TIP3 H156091 0.769 -1.557 3.577 + 1659TIP3 H256092 0.772 -1.532 3.427 + 1659TIP3 OH256093 0.466 -0.924 3.852 + 1659TIP3 H156094 0.517 -0.894 3.929 + 1659TIP3 H256095 0.419 -0.843 3.825 + 1659TIP3 OH256096 1.067 -2.411 3.445 + 1659TIP3 H156097 0.979 -2.401 3.486 + 1659TIP3 H256098 1.101 -2.321 3.450 + 1659TIP3 OH256099 -0.125 -1.576 3.684 + 1659TIP3 H156100 -0.140 -1.504 3.621 + 1659TIP3 H256101 -0.184 -1.645 3.651 + 1659TIP3 OH256102 1.204 -0.997 3.298 + 1659TIP3 H156103 1.220 -0.903 3.322 + 1659TIP3 H256104 1.291 -1.037 3.318 + 1659TIP3 OH256105 -0.502 -1.029 4.227 + 1659TIP3 H156106 -0.408 -1.043 4.246 + 1659TIP3 H256107 -0.525 -0.959 4.290 + 1660TIP3 OH256108 0.416 -0.652 3.699 + 1660TIP3 H156109 0.425 -0.643 3.602 + 1660TIP3 H256110 0.427 -0.561 3.731 + 1660TIP3 OH256111 -0.233 -0.782 3.845 + 1660TIP3 H156112 -0.190 -0.808 3.929 + 1660TIP3 H256113 -0.326 -0.798 3.867 + 1660TIP3 OH256114 0.752 -0.710 3.418 + 1660TIP3 H156115 0.810 -0.775 3.373 + 1660TIP3 H256116 0.747 -0.749 3.508 + 1660TIP3 OH256117 0.691 -0.767 3.699 + 1660TIP3 H156118 0.596 -0.756 3.714 + 1660TIP3 H256119 0.710 -0.841 3.759 + 1660TIP3 OH256120 0.015 -2.328 4.292 + 1660TIP3 H156121 -0.067 -2.331 4.241 + 1660TIP3 H256122 0.028 -2.232 4.308 + 1660TIP3 OH256123 0.878 -1.476 3.295 + 1660TIP3 H156124 0.857 -1.493 3.202 + 1660TIP3 H256125 0.972 -1.452 3.289 + 1660TIP3 OH256126 0.442 -2.100 3.345 + 1660TIP3 H156127 0.392 -2.112 3.428 + 1660TIP3 H256128 0.400 -2.167 3.289 + 1660TIP3 OH256129 0.005 -1.823 3.887 + 1660TIP3 H156130 -0.090 -1.831 3.867 + 1660TIP3 H256131 0.043 -1.841 3.798 + 1660TIP3 OH256132 0.562 -1.766 3.759 + 1660TIP3 H156133 0.525 -1.682 3.727 + 1660TIP3 H256134 0.634 -1.780 3.695 + 1660TIP3 OH256135 0.645 -1.823 4.050 + 1660TIP3 H156136 0.600 -1.763 3.989 + 1660TIP3 H256137 0.648 -1.905 3.998 + 1661TIP3 OH256138 0.084 -2.051 3.236 + 1661TIP3 H156139 0.047 -2.089 3.318 + 1661TIP3 H256140 0.005 -2.041 3.181 + 1661TIP3 OH256141 -0.569 -2.064 3.944 + 1661TIP3 H156142 -0.510 -2.069 4.021 + 1661TIP3 H256143 -0.518 -2.105 3.873 + 1661TIP3 OH256144 -0.412 -2.023 3.515 + 1661TIP3 H156145 -0.358 -1.976 3.448 + 1661TIP3 H256146 -0.482 -1.958 3.531 + 1661TIP3 OH256147 0.272 -2.053 3.987 + 1661TIP3 H156148 0.182 -2.070 4.018 + 1661TIP3 H256149 0.326 -2.078 4.065 + 1661TIP3 OH256150 -0.264 -1.939 3.855 + 1661TIP3 H156151 -0.345 -1.912 3.806 + 1661TIP3 H256152 -0.233 -2.016 3.805 + 1661TIP3 OH256153 0.101 -1.906 3.622 + 1661TIP3 H156154 0.198 -1.900 3.628 + 1661TIP3 H256155 0.079 -1.847 3.548 + 1661TIP3 OH256156 0.717 -2.198 4.284 + 1661TIP3 H156157 0.680 -2.170 4.369 + 1661TIP3 H256158 0.643 -2.186 4.222 + 1661TIP3 OH256159 -0.055 -1.780 3.400 + 1661TIP3 H156160 -0.113 -1.812 3.329 + 1661TIP3 H256161 0.026 -1.762 3.349 + 1661TIP3 OH256162 -0.087 -2.165 3.788 + 1661TIP3 H156163 -0.140 -2.245 3.799 + 1661TIP3 H256164 -0.007 -2.200 3.745 + 1661TIP3 OH256165 0.289 -1.319 3.581 + 1661TIP3 H156166 0.216 -1.375 3.547 + 1661TIP3 H256167 0.275 -1.321 3.678 + 1662TIP3 OH256168 0.710 -2.040 3.357 + 1662TIP3 H156169 0.612 -2.043 3.356 + 1662TIP3 H256170 0.730 -1.969 3.421 + 1662TIP3 OH256171 0.778 -1.859 3.561 + 1662TIP3 H156172 0.864 -1.875 3.604 + 1662TIP3 H256173 0.790 -1.770 3.523 + 1662TIP3 OH256174 -0.205 -1.410 4.174 + 1662TIP3 H156175 -0.146 -1.402 4.097 + 1662TIP3 H256176 -0.156 -1.478 4.224 + 1662TIP3 OH256177 0.533 -1.187 3.472 + 1662TIP3 H156178 0.509 -1.102 3.514 + 1662TIP3 H256179 0.459 -1.243 3.501 + 1662TIP3 OH256180 1.237 -1.861 3.538 + 1662TIP3 H156181 1.180 -1.878 3.460 + 1662TIP3 H256182 1.249 -1.765 3.526 + 1662TIP3 OH256183 1.056 -0.997 3.548 + 1662TIP3 H156184 1.034 -1.074 3.602 + 1662TIP3 H256185 1.111 -1.036 3.478 + 1662TIP3 OH256186 0.739 -1.459 4.259 + 1662TIP3 H156187 0.649 -1.499 4.269 + 1662TIP3 H256188 0.783 -1.529 4.207 + 1662TIP3 OH256189 0.043 -1.058 3.869 + 1662TIP3 H156190 0.092 -0.975 3.877 + 1662TIP3 H256191 -0.047 -1.026 3.858 + 1662TIP3 OH256192 -0.356 -1.577 3.352 + 1662TIP3 H156193 -0.297 -1.509 3.390 + 1662TIP3 H256194 -0.444 -1.547 3.381 + 1662TIP3 OH256195 0.228 -1.286 3.857 + 1662TIP3 H156196 0.190 -1.196 3.861 + 1662TIP3 H256197 0.157 -1.339 3.895 + 1663TIP3 OH256198 0.090 -0.765 3.817 + 1663TIP3 H156199 -0.005 -0.751 3.811 + 1663TIP3 H256200 0.123 -0.676 3.840 + 1663TIP3 OH256201 0.803 -1.155 3.337 + 1663TIP3 H156202 0.845 -1.202 3.411 + 1663TIP3 H256203 0.710 -1.170 3.361 + 1663TIP3 OH256204 1.276 -0.730 3.391 + 1663TIP3 H156205 1.346 -0.665 3.369 + 1663TIP3 H256206 1.199 -0.670 3.389 + 1663TIP3 OH256207 0.899 -1.294 3.574 + 1663TIP3 H156208 0.871 -1.366 3.634 + 1663TIP3 H256209 0.996 -1.297 3.584 + 1663TIP3 OH256210 0.226 -1.050 3.195 + 1663TIP3 H156211 0.255 -1.126 3.142 + 1663TIP3 H256212 0.184 -1.094 3.271 + 1663TIP3 OH256213 0.106 -1.101 3.470 + 1663TIP3 H156214 0.164 -1.155 3.526 + 1663TIP3 H256215 0.126 -1.010 3.500 + 1663TIP3 OH256216 -0.211 -1.353 3.503 + 1663TIP3 H156217 -0.273 -1.312 3.565 + 1663TIP3 H256218 -0.157 -1.277 3.475 + 1663TIP3 OH256219 0.628 -2.165 3.634 + 1663TIP3 H156220 0.644 -2.108 3.557 + 1663TIP3 H256221 0.670 -2.114 3.705 + 1663TIP3 OH256222 0.406 -0.935 3.529 + 1663TIP3 H156223 0.324 -0.885 3.543 + 1663TIP3 H256224 0.442 -0.892 3.450 + 1663TIP3 OH256225 0.366 -1.964 3.727 + 1663TIP3 H156226 0.443 -1.905 3.742 + 1663TIP3 H256227 0.337 -1.982 3.819 + 1664TIP3 OH256228 0.421 -2.263 3.818 + 1664TIP3 H156229 0.412 -2.202 3.893 + 1664TIP3 H256230 0.498 -2.224 3.772 + 1664TIP3 OH256231 0.122 -0.828 3.528 + 1664TIP3 H156232 0.119 -0.747 3.473 + 1664TIP3 H256233 0.117 -0.793 3.618 + 1664TIP3 OH256234 -0.002 -2.163 3.476 + 1664TIP3 H156235 0.001 -2.085 3.534 + 1664TIP3 H256236 0.080 -2.209 3.502 + 1664TIP3 OH256237 0.878 -1.690 4.127 + 1664TIP3 H156238 0.789 -1.730 4.112 + 1664TIP3 H256239 0.923 -1.766 4.170 + 1664TIP3 OH256240 -0.164 -1.074 3.385 + 1664TIP3 H156241 -0.086 -1.030 3.422 + 1664TIP3 H256242 -0.120 -1.123 3.314 + 1664TIP3 OH256243 -0.349 -1.858 3.297 + 1664TIP3 H156244 -0.337 -1.763 3.317 + 1664TIP3 H256245 -0.430 -1.858 3.246 + 1664TIP3 OH256246 1.007 -0.702 4.313 + 1664TIP3 H156247 0.942 -0.725 4.245 + 1664TIP3 H256248 1.088 -0.745 4.285 + 1664TIP3 OH256249 -0.261 -2.354 4.172 + 1664TIP3 H156250 -0.273 -2.351 4.074 + 1664TIP3 H256251 -0.292 -2.443 4.194 + 1664TIP3 OH256252 0.449 -0.881 3.246 + 1664TIP3 H156253 0.374 -0.944 3.233 + 1664TIP3 H256254 0.521 -0.934 3.207 + 1664TIP3 OH256255 0.912 -0.889 3.256 + 1664TIP3 H156256 0.926 -0.971 3.306 + 1664TIP3 H256257 0.991 -0.887 3.199 + 1665TIP3 OH256258 -0.010 -1.306 3.229 + 1665TIP3 H156259 0.009 -1.368 3.302 + 1665TIP3 H256260 0.075 -1.310 3.180 + 1665TIP3 OH256261 0.513 -1.175 3.189 + 1665TIP3 H156262 0.512 -1.180 3.286 + 1665TIP3 H256263 0.510 -1.270 3.167 + 1665TIP3 OH256264 0.098 -1.499 3.462 + 1665TIP3 H156265 0.041 -1.554 3.517 + 1665TIP3 H256266 0.131 -1.564 3.397 + 1665TIP3 OH256267 0.195 -1.695 3.288 + 1665TIP3 H156268 0.190 -1.692 3.191 + 1665TIP3 H256269 0.292 -1.701 3.302 + 1665TIP3 OH256270 1.147 -1.446 3.219 + 1665TIP3 H156271 1.136 -1.488 3.133 + 1665TIP3 H256272 1.135 -1.351 3.195 + 1665TIP3 OH256273 0.171 -0.574 3.396 + 1665TIP3 H156274 0.266 -0.564 3.409 + 1665TIP3 H256275 0.160 -0.530 3.311 + 1665TIP3 OH256276 -0.437 -1.133 3.361 + 1665TIP3 H156277 -0.340 -1.118 3.363 + 1665TIP3 H256278 -0.443 -1.211 3.302 + 1665TIP3 OH256279 -0.527 -0.642 3.806 + 1665TIP3 H156280 -0.621 -0.640 3.782 + 1665TIP3 H256281 -0.530 -0.680 3.896 + 1665TIP3 OH256282 -0.489 -0.827 4.012 + 1665TIP3 H156283 -0.519 -0.912 4.050 + 1665TIP3 H256284 -0.463 -0.784 4.096 + 1665TIP3 OH256285 1.284 -0.667 4.273 + 1665TIP3 H156286 1.262 -0.685 4.366 + 1665TIP3 H256287 1.380 -0.675 4.276 + 1666TIP3 OH256288 1.186 -1.309 3.613 + 1666TIP3 H156289 1.276 -1.277 3.630 + 1666TIP3 H256290 1.176 -1.372 3.686 + 1666TIP3 OH256291 1.235 -1.515 3.812 + 1666TIP3 H156292 1.165 -1.569 3.854 + 1666TIP3 H256293 1.300 -1.504 3.885 + 1666TIP3 OH256294 1.208 -1.279 4.331 + 1666TIP3 H156295 1.265 -1.332 4.275 + 1666TIP3 H256296 1.210 -1.193 4.287 + 1666TIP3 OH256297 1.258 -1.568 3.468 + 1666TIP3 H156298 1.206 -1.540 3.391 + 1666TIP3 H256299 1.244 -1.494 3.529 + 1666TIP3 OH256300 1.085 -1.813 3.295 + 1666TIP3 H156301 1.109 -1.753 3.223 + 1666TIP3 H256302 1.060 -1.894 3.247 + 1666TIP3 OH256303 1.026 -1.700 3.893 + 1666TIP3 H156304 1.017 -1.795 3.876 + 1666TIP3 H256305 0.983 -1.690 3.980 + 1666TIP3 OH256306 -0.492 -1.505 4.263 + 1666TIP3 H156307 -0.452 -1.485 4.177 + 1666TIP3 H256308 -0.413 -1.516 4.319 + 1666TIP3 OH256309 1.032 -2.079 3.214 + 1666TIP3 H156310 1.088 -2.128 3.276 + 1666TIP3 H256311 0.950 -2.131 3.210 + 1666TIP3 OH256312 1.012 -1.949 3.709 + 1666TIP3 H156313 1.035 -2.044 3.716 + 1666TIP3 H256314 1.093 -1.914 3.669 + 1666TIP3 OH256315 1.032 -1.893 4.224 + 1666TIP3 H156316 1.126 -1.879 4.244 + 1666TIP3 H256317 0.986 -1.887 4.309 + 1667TIP3 OH256318 1.060 -2.230 3.706 + 1667TIP3 H156319 1.067 -2.260 3.798 + 1667TIP3 H256320 0.979 -2.277 3.678 + 1667TIP3 OH256321 -0.417 -2.098 4.193 + 1667TIP3 H156322 -0.385 -2.190 4.203 + 1667TIP3 H256323 -0.359 -2.053 4.255 + 1667TIP3 OH256324 -0.578 -1.812 4.302 + 1667TIP3 H156325 -0.533 -1.850 4.225 + 1667TIP3 H256326 -0.548 -1.720 4.297 + 1667TIP3 OH256327 1.255 -2.182 3.374 + 1667TIP3 H156328 1.288 -2.261 3.329 + 1667TIP3 H256329 1.336 -2.129 3.383 + 1667TIP3 OH256330 -0.520 -2.209 3.693 + 1667TIP3 H156331 -0.614 -2.204 3.672 + 1667TIP3 H256332 -0.478 -2.149 3.629 + 1667TIP3 OH256333 0.945 -0.683 3.908 + 1667TIP3 H156334 0.986 -0.708 3.823 + 1667TIP3 H256335 1.018 -0.635 3.949 + 1667TIP3 OH256336 -0.351 -0.776 4.259 + 1667TIP3 H156337 -0.317 -0.774 4.351 + 1667TIP3 H256338 -0.267 -0.799 4.213 + 1667TIP3 OH256339 -0.133 -0.866 4.113 + 1667TIP3 H156340 -0.142 -0.959 4.142 + 1667TIP3 H256341 -0.041 -0.847 4.143 + 1667TIP3 OH256342 0.131 -0.821 4.214 + 1667TIP3 H156343 0.166 -0.906 4.182 + 1667TIP3 H256344 0.149 -0.828 4.308 + 1667TIP3 OH256345 0.469 -2.220 4.123 + 1667TIP3 H156346 0.411 -2.292 4.153 + 1667TIP3 H256347 0.540 -2.269 4.078 + 1668TIP3 OH256348 0.980 -2.409 4.149 + 1668TIP3 H156349 1.047 -2.361 4.097 + 1668TIP3 H256350 0.896 -2.382 4.109 + 1668TIP3 OH256351 1.177 -2.312 3.961 + 1668TIP3 H156352 1.250 -2.352 3.911 + 1668TIP3 H256353 1.208 -2.220 3.974 + 1668TIP3 OH256354 -0.292 -2.357 3.891 + 1668TIP3 H156355 -0.377 -2.369 3.843 + 1668TIP3 H256356 -0.247 -2.441 3.873 + 1668TIP3 OH256357 -0.407 -2.408 3.478 + 1668TIP3 H156358 -0.357 -2.342 3.426 + 1668TIP3 H256359 -0.451 -2.352 3.545 + 1668TIP3 OH256360 0.160 -2.381 3.892 + 1668TIP3 H156361 0.247 -2.342 3.871 + 1668TIP3 H256362 0.166 -2.389 3.988 + 1668TIP3 OH256363 0.709 -2.366 4.007 + 1668TIP3 H156364 0.742 -2.390 3.919 + 1668TIP3 H256365 0.680 -2.451 4.043 + 1668TIP3 OH256366 0.828 -2.369 3.615 + 1668TIP3 H156367 0.747 -2.316 3.606 + 1668TIP3 H256368 0.790 -2.458 3.627 + 1668TIP3 OH256369 -0.239 -2.228 3.324 + 1668TIP3 H156370 -0.177 -2.279 3.268 + 1668TIP3 H256371 -0.178 -2.192 3.391 + 1668TIP3 OH256372 0.269 -2.207 3.585 + 1668TIP3 H156373 0.310 -2.261 3.654 + 1668TIP3 H256374 0.291 -2.119 3.619 + 1668TIP3 OH256375 0.476 -0.628 3.406 + 1668TIP3 H156376 0.573 -0.626 3.401 + 1668TIP3 H256377 0.456 -0.693 3.337 + 1669TIP3 OH256378 1.124 -0.724 3.664 + 1669TIP3 H156379 1.103 -0.809 3.620 + 1669TIP3 H256380 1.125 -0.664 3.589 + 1669TIP3 OH256381 -0.256 -0.723 3.282 + 1669TIP3 H156382 -0.261 -0.679 3.368 + 1669TIP3 H256383 -0.172 -0.772 3.287 + 1669TIP3 OH256384 2.487 -1.484 3.925 + 1669TIP3 H156385 2.496 -1.388 3.930 + 1669TIP3 H256386 2.421 -1.493 3.855 + 1669TIP3 OH256387 2.384 -1.544 4.247 + 1669TIP3 H156388 2.381 -1.621 4.306 + 1669TIP3 H256389 2.377 -1.584 4.159 + 1669TIP3 OH256390 2.741 -1.268 4.038 + 1669TIP3 H156391 2.702 -1.335 4.097 + 1669TIP3 H256392 2.777 -1.209 4.107 + 1669TIP3 OH256393 1.697 -1.121 4.247 + 1669TIP3 H156394 1.672 -1.212 4.224 + 1669TIP3 H256395 1.794 -1.135 4.256 + 1669TIP3 OH256396 1.394 -1.771 3.778 + 1669TIP3 H156397 1.351 -1.684 3.787 + 1669TIP3 H256398 1.323 -1.824 3.741 + 1669TIP3 OH256399 1.470 -1.535 3.977 + 1669TIP3 H156400 1.491 -1.614 4.030 + 1669TIP3 H256401 1.551 -1.525 3.926 + 1669TIP3 OH256402 2.447 -0.728 4.113 + 1669TIP3 H156403 2.510 -0.795 4.082 + 1669TIP3 H256404 2.422 -0.758 4.201 + 1669TIP3 OH256405 2.190 -1.316 4.280 + 1669TIP3 H156406 2.233 -1.382 4.223 + 1669TIP3 H256407 2.271 -1.279 4.320 + 1670TIP3 OH256408 2.537 -1.842 4.322 + 1670TIP3 H156409 2.582 -1.926 4.341 + 1670TIP3 H256410 2.546 -1.833 4.226 + 1670TIP3 OH256411 1.850 -2.053 4.043 + 1670TIP3 H156412 1.867 -1.969 3.997 + 1670TIP3 H256413 1.819 -2.106 3.967 + 1670TIP3 OH256414 2.641 -2.032 3.870 + 1670TIP3 H156415 2.698 -2.076 3.938 + 1670TIP3 H256416 2.709 -1.990 3.815 + 1670TIP3 OH256417 1.551 -1.787 4.100 + 1670TIP3 H156418 1.592 -1.854 4.154 + 1670TIP3 H256419 1.549 -1.831 4.013 + 1670TIP3 OH256420 2.053 -1.646 4.057 + 1670TIP3 H156421 2.130 -1.701 4.083 + 1670TIP3 H256422 2.010 -1.704 3.991 + 1670TIP3 OH256423 2.484 -1.198 3.793 + 1670TIP3 H156424 2.456 -1.217 3.703 + 1670TIP3 H256425 2.441 -1.113 3.811 + 1670TIP3 OH256426 2.820 -2.112 4.072 + 1670TIP3 H156427 2.797 -2.179 4.138 + 1670TIP3 H256428 2.872 -2.051 4.128 + 1670TIP3 OH256429 1.772 -1.963 4.297 + 1670TIP3 H156430 1.759 -1.870 4.276 + 1670TIP3 H256431 1.772 -2.006 4.209 + 1670TIP3 OH256432 1.462 -1.226 3.627 + 1670TIP3 H156433 1.441 -1.176 3.546 + 1670TIP3 H256434 1.478 -1.156 3.693 + 1670TIP3 OH256435 2.814 -1.135 4.258 + 1670TIP3 H156436 2.753 -1.148 4.333 + 1670TIP3 H256437 2.887 -1.089 4.300 + 1671TIP3 OH256438 2.147 -2.415 4.178 + 1671TIP3 H156439 2.143 -2.513 4.182 + 1671TIP3 H256440 2.064 -2.390 4.222 + 1671TIP3 OH256441 2.637 -0.886 3.963 + 1671TIP3 H156442 2.684 -0.967 3.934 + 1671TIP3 H256443 2.705 -0.818 3.945 + 1671TIP3 OH256444 2.782 -1.102 3.821 + 1671TIP3 H156445 2.730 -1.150 3.755 + 1671TIP3 H256446 2.777 -1.164 3.896 + 1671TIP3 OH256447 2.361 -1.528 3.643 + 1671TIP3 H156448 2.296 -1.469 3.602 + 1671TIP3 H256449 2.434 -1.526 3.578 + 1671TIP3 OH256450 2.390 -1.710 3.347 + 1671TIP3 H156451 2.460 -1.679 3.407 + 1671TIP3 H256452 2.441 -1.768 3.289 + 1671TIP3 OH256453 2.710 -1.530 3.750 + 1671TIP3 H156454 2.646 -1.507 3.821 + 1671TIP3 H256455 2.774 -1.585 3.800 + 1671TIP3 OH256456 1.873 -1.448 3.926 + 1671TIP3 H156457 1.837 -1.493 3.846 + 1671TIP3 H256458 1.932 -1.516 3.963 + 1671TIP3 OH256459 1.971 -1.138 4.159 + 1671TIP3 H156460 1.996 -1.172 4.072 + 1671TIP3 H256461 2.055 -1.139 4.207 + 1671TIP3 OH256462 1.891 -1.567 4.272 + 1671TIP3 H156463 1.955 -1.581 4.200 + 1671TIP3 H256464 1.947 -1.540 4.345 + 1671TIP3 OH256465 2.606 -1.582 3.494 + 1671TIP3 H156466 2.654 -1.557 3.576 + 1671TIP3 H256467 2.657 -1.531 3.426 + 1672TIP3 OH256468 2.352 -0.924 3.853 + 1672TIP3 H156469 2.402 -0.892 3.928 + 1672TIP3 H256470 2.304 -0.846 3.823 + 1672TIP3 OH256471 2.946 -2.417 3.453 + 1672TIP3 H156472 2.863 -2.392 3.497 + 1672TIP3 H256473 2.987 -2.330 3.435 + 1672TIP3 OH256474 1.763 -1.576 3.682 + 1672TIP3 H156475 1.743 -1.502 3.623 + 1672TIP3 H256476 1.699 -1.643 3.653 + 1672TIP3 OH256477 3.092 -0.996 3.293 + 1672TIP3 H156478 3.108 -0.903 3.322 + 1672TIP3 H256479 3.177 -1.038 3.318 + 1672TIP3 OH256480 1.384 -1.034 4.238 + 1672TIP3 H156481 1.480 -1.040 4.243 + 1672TIP3 H256482 1.366 -0.953 4.287 + 1672TIP3 OH256483 2.309 -0.653 3.699 + 1672TIP3 H156484 2.309 -0.641 3.603 + 1672TIP3 H256485 2.310 -0.562 3.733 + 1672TIP3 OH256486 1.688 -0.739 3.862 + 1672TIP3 H156487 1.703 -0.785 3.947 + 1672TIP3 H256488 1.605 -0.778 3.833 + 1672TIP3 OH256489 2.637 -0.711 3.416 + 1672TIP3 H156490 2.695 -0.777 3.374 + 1672TIP3 H256491 2.632 -0.747 3.507 + 1672TIP3 OH256492 2.578 -0.767 3.697 + 1672TIP3 H156493 2.483 -0.752 3.713 + 1672TIP3 H256494 2.595 -0.839 3.761 + 1672TIP3 OH256495 1.903 -2.326 4.291 + 1672TIP3 H156496 1.820 -2.337 4.242 + 1672TIP3 H256497 1.908 -2.230 4.306 + 1673TIP3 OH256498 2.763 -1.475 3.295 + 1673TIP3 H156499 2.744 -1.494 3.201 + 1673TIP3 H256500 2.857 -1.453 3.291 + 1673TIP3 OH256501 2.324 -2.097 3.345 + 1673TIP3 H156502 2.277 -2.112 3.428 + 1673TIP3 H256503 2.286 -2.167 3.289 + 1673TIP3 OH256504 1.892 -1.820 3.884 + 1673TIP3 H156505 1.796 -1.829 3.867 + 1673TIP3 H256506 1.927 -1.843 3.795 + 1673TIP3 OH256507 2.450 -1.765 3.763 + 1673TIP3 H156508 2.409 -1.683 3.727 + 1673TIP3 H256509 2.520 -1.782 3.698 + 1673TIP3 OH256510 2.529 -1.824 4.042 + 1673TIP3 H156511 2.502 -1.769 3.967 + 1673TIP3 H256512 2.552 -1.906 3.993 + 1673TIP3 OH256513 1.970 -2.054 3.235 + 1673TIP3 H156514 1.934 -2.089 3.319 + 1673TIP3 H256515 1.890 -2.040 3.182 + 1673TIP3 OH256516 1.319 -2.060 3.942 + 1673TIP3 H156517 1.374 -2.071 4.022 + 1673TIP3 H256518 1.369 -2.107 3.873 + 1673TIP3 OH256519 1.474 -2.023 3.513 + 1673TIP3 H156520 1.528 -1.974 3.448 + 1673TIP3 H256521 1.403 -1.958 3.532 + 1673TIP3 OH256522 2.159 -2.058 3.984 + 1673TIP3 H156523 2.066 -2.069 4.009 + 1673TIP3 H256524 2.205 -2.085 4.065 + 1673TIP3 OH256525 1.623 -1.939 3.854 + 1673TIP3 H156526 1.541 -1.911 3.809 + 1673TIP3 H256527 1.650 -2.017 3.803 + 1674TIP3 OH256528 1.986 -1.906 3.622 + 1674TIP3 H156529 2.083 -1.899 3.626 + 1674TIP3 H256530 1.961 -1.847 3.548 + 1674TIP3 OH256531 2.603 -2.194 4.279 + 1674TIP3 H156532 2.568 -2.163 4.364 + 1674TIP3 H256533 2.526 -2.190 4.220 + 1674TIP3 OH256534 1.832 -1.783 3.399 + 1674TIP3 H156535 1.773 -1.810 3.328 + 1674TIP3 H256536 1.913 -1.762 3.349 + 1674TIP3 OH256537 2.254 -1.822 4.193 + 1674TIP3 H156538 2.326 -1.852 4.134 + 1674TIP3 H256539 2.261 -1.886 4.265 + 1674TIP3 OH256540 1.800 -2.166 3.787 + 1674TIP3 H156541 1.744 -2.245 3.799 + 1674TIP3 H256542 1.878 -2.203 3.744 + 1674TIP3 OH256543 2.177 -1.322 3.582 + 1674TIP3 H156544 2.102 -1.375 3.546 + 1674TIP3 H256545 2.160 -1.322 3.679 + 1674TIP3 OH256546 2.593 -2.042 3.362 + 1674TIP3 H156547 2.495 -2.041 3.357 + 1674TIP3 H256548 2.614 -1.968 3.422 + 1674TIP3 OH256549 2.662 -1.857 3.567 + 1674TIP3 H156550 2.750 -1.875 3.604 + 1674TIP3 H256551 2.676 -1.771 3.523 + 1674TIP3 OH256552 1.680 -1.410 4.176 + 1674TIP3 H156553 1.736 -1.401 4.097 + 1674TIP3 H256554 1.727 -1.482 4.222 + 1674TIP3 OH256555 2.418 -1.187 3.474 + 1674TIP3 H156556 2.392 -1.101 3.513 + 1674TIP3 H256557 2.343 -1.243 3.502 + 1675TIP3 OH256558 3.121 -1.861 3.538 + 1675TIP3 H156559 3.065 -1.880 3.460 + 1675TIP3 H256560 3.133 -1.765 3.525 + 1675TIP3 OH256561 2.933 -1.002 3.540 + 1675TIP3 H156562 2.920 -1.073 3.605 + 1675TIP3 H256563 3.003 -1.036 3.483 + 1675TIP3 OH256564 2.653 -1.446 4.246 + 1675TIP3 H156565 2.565 -1.480 4.270 + 1675TIP3 H256566 2.693 -1.523 4.201 + 1675TIP3 OH256567 1.932 -1.058 3.873 + 1675TIP3 H156568 1.972 -0.969 3.873 + 1675TIP3 H256569 1.838 -1.037 3.864 + 1675TIP3 OH256570 1.530 -1.576 3.351 + 1675TIP3 H156571 1.587 -1.508 3.391 + 1675TIP3 H256572 1.442 -1.550 3.385 + 1675TIP3 OH256573 2.113 -1.287 3.863 + 1675TIP3 H156574 2.080 -1.196 3.862 + 1675TIP3 H256575 2.035 -1.336 3.893 + 1675TIP3 OH256576 1.975 -0.765 3.813 + 1675TIP3 H156577 1.879 -0.750 3.819 + 1675TIP3 H256578 2.010 -0.678 3.839 + 1675TIP3 OH256579 2.686 -1.156 3.336 + 1675TIP3 H156580 2.731 -1.199 3.411 + 1675TIP3 H256581 2.594 -1.171 3.363 + 1675TIP3 OH256582 3.159 -0.729 3.387 + 1675TIP3 H156583 3.231 -0.664 3.373 + 1675TIP3 H256584 3.084 -0.667 3.389 + 1675TIP3 OH256585 2.785 -1.296 3.574 + 1675TIP3 H156586 2.759 -1.367 3.635 + 1675TIP3 H256587 2.882 -1.296 3.584 + 1676TIP3 OH256588 2.112 -1.051 3.193 + 1676TIP3 H156589 2.141 -1.131 3.145 + 1676TIP3 H256590 2.069 -1.090 3.271 + 1676TIP3 OH256591 1.997 -1.099 3.464 + 1676TIP3 H156592 2.047 -1.152 3.527 + 1676TIP3 H256593 2.011 -1.008 3.498 + 1676TIP3 OH256594 1.681 -1.355 3.505 + 1676TIP3 H156595 1.608 -1.317 3.557 + 1676TIP3 H256596 1.727 -1.274 3.477 + 1676TIP3 OH256597 2.510 -2.164 3.632 + 1676TIP3 H156598 2.530 -2.112 3.553 + 1676TIP3 H256599 2.556 -2.113 3.701 + 1676TIP3 OH256600 2.291 -0.938 3.528 + 1676TIP3 H156601 2.210 -0.888 3.546 + 1676TIP3 H256602 2.328 -0.889 3.453 + 1676TIP3 OH256603 2.252 -1.965 3.726 + 1676TIP3 H156604 2.328 -1.906 3.741 + 1676TIP3 H256605 2.222 -1.983 3.817 + 1676TIP3 OH256606 2.308 -2.264 3.819 + 1676TIP3 H156607 2.294 -2.199 3.890 + 1676TIP3 H256608 2.383 -2.224 3.771 + 1676TIP3 OH256609 2.011 -0.829 3.528 + 1676TIP3 H156610 2.005 -0.748 3.474 + 1676TIP3 H256611 1.998 -0.795 3.618 + 1676TIP3 OH256612 1.884 -2.163 3.475 + 1676TIP3 H156613 1.885 -2.086 3.534 + 1676TIP3 H256614 1.966 -2.209 3.503 + 1676TIP3 OH256615 2.760 -1.685 4.141 + 1676TIP3 H156616 2.683 -1.733 4.107 + 1676TIP3 H256617 2.818 -1.759 4.172 + 1677TIP3 OH256618 1.724 -1.074 3.381 + 1677TIP3 H156619 1.797 -1.026 3.421 + 1677TIP3 H256620 1.773 -1.125 3.314 + 1677TIP3 OH256621 1.538 -1.856 3.293 + 1677TIP3 H156622 1.549 -1.762 3.316 + 1677TIP3 H256623 1.451 -1.856 3.252 + 1677TIP3 OH256624 2.894 -0.710 4.317 + 1677TIP3 H156625 2.834 -0.718 4.243 + 1677TIP3 H256626 2.979 -0.739 4.283 + 1677TIP3 OH256627 1.628 -2.356 4.172 + 1677TIP3 H156628 1.612 -2.352 4.075 + 1677TIP3 H256629 1.591 -2.442 4.195 + 1677TIP3 OH256630 1.519 -1.005 3.799 + 1677TIP3 H156631 1.442 -0.952 3.824 + 1677TIP3 H256632 1.557 -0.952 3.728 + 1677TIP3 OH256633 2.334 -0.880 3.242 + 1677TIP3 H156634 2.258 -0.942 3.234 + 1677TIP3 H256635 2.405 -0.937 3.207 + 1677TIP3 OH256636 2.798 -0.891 3.252 + 1677TIP3 H156637 2.812 -0.969 3.310 + 1677TIP3 H256638 2.881 -0.889 3.202 + 1677TIP3 OH256639 1.877 -1.307 3.227 + 1677TIP3 H156640 1.892 -1.366 3.302 + 1677TIP3 H256641 1.963 -1.312 3.182 + 1677TIP3 OH256642 2.400 -1.174 3.188 + 1677TIP3 H156643 2.397 -1.179 3.286 + 1677TIP3 H256644 2.396 -1.270 3.167 + 1677TIP3 OH256645 1.987 -1.499 3.463 + 1677TIP3 H156646 1.924 -1.551 3.516 + 1677TIP3 H256647 2.016 -1.567 3.398 + 1678TIP3 OH256648 2.081 -1.697 3.288 + 1678TIP3 H156649 2.076 -1.691 3.191 + 1678TIP3 H256650 2.177 -1.702 3.302 + 1678TIP3 OH256651 3.033 -1.449 3.216 + 1678TIP3 H156652 3.015 -1.487 3.129 + 1678TIP3 H256653 3.024 -1.353 3.196 + 1678TIP3 OH256654 2.058 -0.576 3.396 + 1678TIP3 H156655 2.153 -0.562 3.409 + 1678TIP3 H256656 2.043 -0.529 3.313 + 1678TIP3 OH256657 1.448 -1.134 3.350 + 1678TIP3 H156658 1.544 -1.116 3.363 + 1678TIP3 H256659 1.450 -1.213 3.292 + 1678TIP3 OH256660 1.351 -0.618 3.821 + 1678TIP3 H156661 1.276 -0.654 3.770 + 1678TIP3 H256662 1.358 -0.684 3.893 + 1678TIP3 OH256663 1.387 -0.816 4.019 + 1678TIP3 H156664 1.361 -0.905 4.048 + 1678TIP3 H256665 1.415 -0.779 4.105 + 1678TIP3 OH256666 3.169 -0.662 4.277 + 1678TIP3 H156667 3.151 -0.687 4.369 + 1678TIP3 H256668 3.265 -0.677 4.273 + 1678TIP3 OH256669 3.075 -1.308 3.613 + 1678TIP3 H156670 3.164 -1.271 3.631 + 1678TIP3 H256671 3.067 -1.371 3.687 + 1678TIP3 OH256672 3.119 -1.514 3.812 + 1678TIP3 H156673 3.052 -1.569 3.855 + 1678TIP3 H256674 3.187 -1.503 3.882 + 1678TIP3 OH256675 3.089 -1.281 4.327 + 1678TIP3 H156676 3.153 -1.335 4.279 + 1678TIP3 H256677 3.101 -1.193 4.288 + 1679TIP3 OH256678 3.143 -1.569 3.469 + 1679TIP3 H156679 3.092 -1.540 3.391 + 1679TIP3 H256680 3.130 -1.493 3.529 + 1679TIP3 OH256681 2.968 -1.808 3.296 + 1679TIP3 H156682 2.996 -1.758 3.218 + 1679TIP3 H256683 2.943 -1.895 3.257 + 1679TIP3 OH256684 2.905 -1.699 3.892 + 1679TIP3 H156685 2.903 -1.795 3.878 + 1679TIP3 H256686 2.873 -1.690 3.983 + 1679TIP3 OH256687 1.396 -1.523 4.263 + 1679TIP3 H156688 1.429 -1.488 4.179 + 1679TIP3 H256689 1.475 -1.515 4.320 + 1679TIP3 OH256690 2.910 -2.072 3.234 + 1679TIP3 H156691 2.984 -2.135 3.241 + 1679TIP3 H256692 2.842 -2.128 3.194 + 1679TIP3 OH256693 2.897 -1.950 3.712 + 1679TIP3 H156694 2.922 -2.045 3.715 + 1679TIP3 H256695 2.977 -1.914 3.669 + 1679TIP3 OH256696 2.919 -1.884 4.219 + 1679TIP3 H156697 3.015 -1.885 4.234 + 1679TIP3 H256698 2.884 -1.899 4.308 + 1679TIP3 OH256699 2.943 -2.227 3.709 + 1679TIP3 H156700 2.956 -2.261 3.799 + 1679TIP3 H256701 2.864 -2.277 3.680 + 1679TIP3 OH256702 1.470 -2.099 4.192 + 1679TIP3 H156703 1.498 -2.191 4.203 + 1679TIP3 H256704 1.527 -2.055 4.255 + 1679TIP3 OH256705 1.313 -1.812 4.302 + 1679TIP3 H156706 1.350 -1.847 4.220 + 1679TIP3 H256707 1.337 -1.717 4.295 + 1680TIP3 OH256708 3.155 -2.206 3.375 + 1680TIP3 H156709 3.161 -2.255 3.290 + 1680TIP3 H256710 3.228 -2.144 3.366 + 1680TIP3 OH256711 1.366 -2.211 3.692 + 1680TIP3 H156712 1.271 -2.204 3.673 + 1680TIP3 H256713 1.406 -2.148 3.628 + 1680TIP3 OH256714 2.831 -0.683 3.908 + 1680TIP3 H156715 2.873 -0.709 3.823 + 1680TIP3 H256716 2.904 -0.636 3.949 + 1680TIP3 OH256717 1.531 -0.780 4.262 + 1680TIP3 H156718 1.568 -0.775 4.353 + 1680TIP3 H256719 1.613 -0.798 4.213 + 1680TIP3 OH256720 1.752 -0.865 4.116 + 1680TIP3 H156721 1.742 -0.959 4.142 + 1680TIP3 H256722 1.844 -0.848 4.146 + 1680TIP3 OH256723 2.019 -0.818 4.213 + 1680TIP3 H156724 2.053 -0.904 4.183 + 1680TIP3 H256725 2.033 -0.825 4.308 + 1680TIP3 OH256726 2.356 -2.218 4.128 + 1680TIP3 H156727 2.296 -2.290 4.154 + 1680TIP3 H256728 2.424 -2.266 4.077 + 1680TIP3 OH256729 2.855 -2.403 4.136 + 1680TIP3 H156730 2.921 -2.357 4.082 + 1680TIP3 H256731 2.771 -2.381 4.092 + 1680TIP3 OH256732 3.060 -2.312 3.960 + 1680TIP3 H156733 3.134 -2.354 3.912 + 1680TIP3 H256734 3.095 -2.221 3.973 + 1680TIP3 OH256735 1.595 -2.356 3.889 + 1680TIP3 H156736 1.509 -2.369 3.843 + 1680TIP3 H256737 1.638 -2.441 3.873 + 1681TIP3 OH256738 1.478 -2.407 3.477 + 1681TIP3 H156739 1.527 -2.341 3.426 + 1681TIP3 H256740 1.435 -2.353 3.545 + 1681TIP3 OH256741 2.046 -2.381 3.891 + 1681TIP3 H156742 2.134 -2.344 3.872 + 1681TIP3 H256743 2.049 -2.389 3.987 + 1681TIP3 OH256744 2.595 -2.366 4.005 + 1681TIP3 H156745 2.623 -2.391 3.916 + 1681TIP3 H256746 2.563 -2.451 4.040 + 1681TIP3 OH256747 2.711 -2.369 3.619 + 1681TIP3 H156748 2.630 -2.317 3.603 + 1681TIP3 H256749 2.675 -2.459 3.625 + 1681TIP3 OH256750 1.495 -0.811 3.593 + 1681TIP3 H156751 1.431 -0.823 3.521 + 1681TIP3 H256752 1.493 -0.715 3.603 + 1681TIP3 OH256753 1.647 -2.226 3.321 + 1681TIP3 H156754 1.709 -2.280 3.269 + 1681TIP3 H256755 1.706 -2.191 3.391 + 1681TIP3 OH256756 2.155 -2.208 3.584 + 1681TIP3 H156757 2.195 -2.262 3.655 + 1681TIP3 H256758 2.176 -2.119 3.618 + 1681TIP3 OH256759 2.362 -0.627 3.404 + 1681TIP3 H156760 2.459 -0.627 3.401 + 1681TIP3 H256761 2.342 -0.694 3.336 + 1681TIP3 OH256762 3.007 -0.723 3.664 + 1681TIP3 H156763 2.991 -0.808 3.620 + 1681TIP3 H256764 3.012 -0.663 3.589 + 1681TIP3 OH256765 1.638 -0.716 3.273 + 1681TIP3 H156766 1.614 -0.688 3.362 + 1681TIP3 H256767 1.715 -0.772 3.288 + 1682TIP3 OH256768 4.290 -1.528 4.228 + 1682TIP3 H156769 4.267 -1.586 4.303 + 1682TIP3 H256770 4.262 -1.583 4.151 + 1682TIP3 OH256771 3.579 -1.119 4.240 + 1682TIP3 H156772 3.561 -1.213 4.224 + 1682TIP3 H256773 3.674 -1.125 4.261 + 1682TIP3 OH256774 3.280 -1.775 3.777 + 1682TIP3 H156775 3.241 -1.686 3.788 + 1682TIP3 H256776 3.207 -1.823 3.736 + 1682TIP3 OH256777 3.353 -1.539 3.972 + 1682TIP3 H156778 3.378 -1.613 4.030 + 1682TIP3 H256779 3.438 -1.518 3.932 + 1682TIP3 OH256780 4.059 -1.314 4.278 + 1682TIP3 H156781 4.101 -1.380 4.221 + 1682TIP3 H256782 4.135 -1.280 4.329 + 1682TIP3 OH256783 3.742 -2.056 4.040 + 1682TIP3 H156784 3.755 -1.968 4.000 + 1682TIP3 H256785 3.705 -2.104 3.963 + 1682TIP3 OH256786 3.430 -1.789 4.100 + 1682TIP3 H156787 3.480 -1.850 4.154 + 1682TIP3 H256788 3.434 -1.832 4.013 + 1682TIP3 OH256789 3.936 -1.646 4.065 + 1682TIP3 H156790 4.021 -1.694 4.077 + 1682TIP3 H256791 3.896 -1.702 3.995 + 1682TIP3 OH256792 3.667 -1.961 4.300 + 1682TIP3 H156793 3.644 -1.870 4.281 + 1682TIP3 H256794 3.655 -2.007 4.214 + 1682TIP3 OH256795 3.346 -1.212 3.635 + 1682TIP3 H156796 3.331 -1.163 3.553 + 1682TIP3 H256797 3.373 -1.140 3.697 + 1683TIP3 OH256798 4.036 -2.416 4.176 + 1683TIP3 H156799 4.025 -2.512 4.183 + 1683TIP3 H256800 3.955 -2.384 4.220 + 1683TIP3 OH256801 4.287 -1.692 3.343 + 1683TIP3 H156802 4.350 -1.696 3.417 + 1683TIP3 H256803 4.294 -1.780 3.304 + 1683TIP3 OH256804 3.761 -1.448 3.925 + 1683TIP3 H156805 3.726 -1.495 3.847 + 1683TIP3 H256806 3.819 -1.514 3.966 + 1683TIP3 OH256807 3.878 -1.120 4.161 + 1683TIP3 H156808 3.879 -1.158 4.072 + 1683TIP3 H256809 3.951 -1.167 4.203 + 1683TIP3 OH256810 3.770 -1.582 4.274 + 1683TIP3 H156811 3.838 -1.589 4.204 + 1683TIP3 H256812 3.821 -1.546 4.348 + 1683TIP3 OH256813 4.259 -0.929 3.848 + 1683TIP3 H156814 4.301 -0.868 3.911 + 1683TIP3 H256815 4.205 -0.868 3.796 + 1683TIP3 OH256816 3.652 -1.580 3.679 + 1683TIP3 H156817 3.631 -1.502 3.625 + 1683TIP3 H256818 3.581 -1.641 3.653 + 1683TIP3 OH256819 3.269 -1.033 4.238 + 1683TIP3 H156820 3.365 -1.044 4.240 + 1683TIP3 H256821 3.257 -0.950 4.286 + 1683TIP3 OH256822 4.205 -0.654 3.706 + 1683TIP3 H156823 4.196 -0.651 3.610 + 1683TIP3 H256824 4.208 -0.561 3.732 + 1683TIP3 OH256825 3.792 -2.325 4.290 + 1683TIP3 H156826 3.706 -2.337 4.244 + 1683TIP3 H256827 3.793 -2.230 4.309 + 1684TIP3 OH256828 4.231 -2.094 3.346 + 1684TIP3 H156829 4.174 -2.106 3.423 + 1684TIP3 H256830 4.197 -2.162 3.286 + 1684TIP3 OH256831 3.776 -1.822 3.884 + 1684TIP3 H156832 3.681 -1.829 3.868 + 1684TIP3 H256833 3.811 -1.840 3.795 + 1684TIP3 OH256834 3.864 -2.055 3.234 + 1684TIP3 H156835 3.823 -2.088 3.317 + 1684TIP3 H256836 3.785 -2.038 3.180 + 1684TIP3 OH256837 3.200 -2.066 3.945 + 1684TIP3 H156838 3.261 -2.069 4.021 + 1684TIP3 H256839 3.252 -2.104 3.872 + 1684TIP3 OH256840 3.361 -2.022 3.514 + 1684TIP3 H156841 3.412 -1.975 3.446 + 1684TIP3 H256842 3.287 -1.962 3.529 + 1684TIP3 OH256843 4.046 -2.075 3.981 + 1684TIP3 H156844 3.952 -2.071 4.004 + 1684TIP3 H256845 4.085 -2.065 4.069 + 1684TIP3 OH256846 3.507 -1.940 3.854 + 1684TIP3 H156847 3.426 -1.910 3.809 + 1684TIP3 H256848 3.534 -2.018 3.802 + 1684TIP3 OH256849 3.884 -1.914 3.617 + 1684TIP3 H156850 3.975 -1.882 3.626 + 1684TIP3 H256851 3.845 -1.852 3.552 + 1684TIP3 OH256852 3.723 -1.789 3.400 + 1684TIP3 H156853 3.661 -1.810 3.328 + 1684TIP3 H256854 3.803 -1.766 3.350 + 1684TIP3 OH256855 4.125 -1.840 4.163 + 1684TIP3 H156856 4.195 -1.857 4.098 + 1684TIP3 H256857 4.162 -1.877 4.244 + 1685TIP3 OH256858 3.684 -2.166 3.783 + 1685TIP3 H156859 3.627 -2.243 3.800 + 1685TIP3 H256860 3.764 -2.208 3.747 + 1685TIP3 OH256861 4.080 -1.338 3.581 + 1685TIP3 H156862 4.004 -1.389 3.547 + 1685TIP3 H256863 4.070 -1.345 3.677 + 1685TIP3 OH256864 3.560 -1.422 4.171 + 1685TIP3 H156865 3.623 -1.401 4.100 + 1685TIP3 H256866 3.615 -1.482 4.226 + 1685TIP3 OH256867 4.288 -1.186 3.483 + 1685TIP3 H156868 4.250 -1.103 3.517 + 1685TIP3 H256869 4.219 -1.250 3.513 + 1685TIP3 OH256870 3.825 -1.041 3.879 + 1685TIP3 H156871 3.865 -0.958 3.851 + 1685TIP3 H256872 3.734 -1.023 3.848 + 1685TIP3 OH256873 3.415 -1.576 3.351 + 1685TIP3 H156874 3.473 -1.508 3.391 + 1685TIP3 H256875 3.328 -1.549 3.386 + 1685TIP3 OH256876 3.995 -1.274 3.869 + 1685TIP3 H156877 3.953 -1.186 3.863 + 1685TIP3 H256878 3.920 -1.332 3.889 + 1685TIP3 OH256879 3.991 -1.049 3.190 + 1685TIP3 H156880 4.031 -1.128 3.148 + 1685TIP3 H256881 3.961 -1.087 3.275 + 1685TIP3 OH256882 3.898 -1.089 3.477 + 1685TIP3 H156883 3.933 -1.144 3.549 + 1685TIP3 H256884 3.882 -1.005 3.523 + 1685TIP3 OH256885 3.560 -1.353 3.506 + 1685TIP3 H156886 3.492 -1.313 3.562 + 1685TIP3 H256887 3.609 -1.273 3.478 + 1686TIP3 OH256888 4.155 -0.926 3.527 + 1686TIP3 H156889 4.078 -0.869 3.548 + 1686TIP3 H256890 4.200 -0.876 3.459 + 1686TIP3 OH256891 4.162 -1.954 3.734 + 1686TIP3 H156892 4.206 -1.878 3.775 + 1686TIP3 H256893 4.115 -1.988 3.812 + 1686TIP3 OH256894 4.192 -2.266 3.844 + 1686TIP3 H156895 4.164 -2.187 3.897 + 1686TIP3 H256896 4.271 -2.232 3.799 + 1686TIP3 OH256897 3.770 -2.161 3.471 + 1686TIP3 H156898 3.768 -2.086 3.533 + 1686TIP3 H256899 3.850 -2.209 3.499 + 1686TIP3 OH256900 3.611 -1.077 3.379 + 1686TIP3 H156901 3.667 -1.016 3.431 + 1686TIP3 H256902 3.677 -1.123 3.325 + 1686TIP3 OH256903 3.424 -1.854 3.288 + 1686TIP3 H156904 3.432 -1.761 3.314 + 1686TIP3 H256905 3.333 -1.859 3.255 + 1686TIP3 OH256906 3.513 -2.357 4.172 + 1686TIP3 H156907 3.497 -2.353 4.076 + 1686TIP3 H256908 3.479 -2.444 4.196 + 1686TIP3 OH256909 3.427 -0.995 3.802 + 1686TIP3 H156910 3.356 -0.933 3.823 + 1686TIP3 H256911 3.485 -0.938 3.748 + 1686TIP3 OH256912 4.231 -0.882 3.225 + 1686TIP3 H156913 4.148 -0.934 3.228 + 1686TIP3 H256914 4.295 -0.955 3.213 + 1686TIP3 OH256915 3.764 -1.307 3.228 + 1686TIP3 H156916 3.780 -1.365 3.305 + 1686TIP3 H256917 3.851 -1.309 3.185 + 1687TIP3 OH256918 4.257 -1.174 3.184 + 1687TIP3 H156919 4.276 -1.163 3.279 + 1687TIP3 H256920 4.243 -1.270 3.179 + 1687TIP3 OH256921 3.867 -1.497 3.454 + 1687TIP3 H156922 3.810 -1.546 3.515 + 1687TIP3 H256923 3.902 -1.569 3.397 + 1687TIP3 OH256924 3.981 -1.701 3.290 + 1687TIP3 H156925 3.971 -1.691 3.194 + 1687TIP3 H256926 4.076 -1.685 3.302 + 1687TIP3 OH256927 3.960 -0.567 3.419 + 1687TIP3 H156928 4.052 -0.590 3.409 + 1687TIP3 H256929 3.929 -0.562 3.328 + 1687TIP3 OH256930 3.334 -1.133 3.348 + 1687TIP3 H156931 3.429 -1.115 3.368 + 1687TIP3 H256932 3.340 -1.214 3.294 + 1687TIP3 OH256933 3.233 -0.612 3.826 + 1687TIP3 H156934 3.164 -0.653 3.771 + 1687TIP3 H256935 3.247 -0.682 3.894 + 1687TIP3 OH256936 3.266 -0.811 4.022 + 1687TIP3 H156937 3.247 -0.903 4.047 + 1687TIP3 H256938 3.305 -0.780 4.105 + 1687TIP3 OH256939 3.278 -1.508 4.260 + 1687TIP3 H156940 3.316 -1.481 4.174 + 1687TIP3 H256941 3.359 -1.515 4.314 + 1687TIP3 OH256942 3.356 -2.099 4.190 + 1687TIP3 H156943 3.386 -2.190 4.205 + 1687TIP3 H256944 3.407 -2.053 4.258 + 1687TIP3 OH256945 3.193 -1.811 4.302 + 1687TIP3 H156946 3.239 -1.847 4.224 + 1687TIP3 H256947 3.224 -1.719 4.300 + 1688TIP3 OH256948 3.251 -2.207 3.695 + 1688TIP3 H156949 3.156 -2.205 3.671 + 1688TIP3 H256950 3.291 -2.151 3.626 + 1688TIP3 OH256951 3.413 -0.778 4.265 + 1688TIP3 H156952 3.457 -0.781 4.352 + 1688TIP3 H256953 3.492 -0.800 4.209 + 1688TIP3 OH256954 3.627 -0.850 4.120 + 1688TIP3 H156955 3.617 -0.947 4.115 + 1688TIP3 H256956 3.723 -0.840 4.124 + 1688TIP3 OH256957 3.916 -0.816 4.213 + 1688TIP3 H156958 3.923 -0.908 4.181 + 1688TIP3 H256959 3.909 -0.831 4.308 + 1688TIP3 OH256960 4.274 -2.255 4.135 + 1688TIP3 H156961 4.193 -2.302 4.159 + 1688TIP3 H256962 4.293 -2.294 4.049 + 1688TIP3 OH256963 3.481 -2.355 3.888 + 1688TIP3 H156964 3.395 -2.367 3.843 + 1688TIP3 H256965 3.523 -2.442 3.872 + 1688TIP3 OH256966 3.369 -2.409 3.478 + 1688TIP3 H156967 3.414 -2.340 3.424 + 1688TIP3 H256968 3.315 -2.354 3.537 + 1688TIP3 OH256969 3.935 -2.378 3.886 + 1688TIP3 H156970 4.026 -2.344 3.876 + 1688TIP3 H256971 3.930 -2.386 3.982 + 1688TIP3 OH256972 3.352 -0.819 3.588 + 1688TIP3 H156973 3.296 -0.809 3.510 + 1688TIP3 H256974 3.390 -0.732 3.600 + 1688TIP3 OH256975 3.533 -2.225 3.321 + 1688TIP3 H156976 3.595 -2.278 3.267 + 1688TIP3 H256977 3.593 -2.191 3.390 + 1689TIP3 OH256978 4.072 -2.201 3.580 + 1689TIP3 H156979 4.067 -2.259 3.658 + 1689TIP3 H256980 4.051 -2.114 3.620 + 1689TIP3 OH256981 4.263 -0.645 3.398 + 1689TIP3 H156982 4.353 -0.612 3.383 + 1689TIP3 H256983 4.251 -0.706 3.324 + 1689TIP3 OH256984 3.528 -0.714 3.277 + 1689TIP3 H156985 3.504 -0.694 3.369 + 1689TIP3 H256986 3.603 -0.774 3.292 + 1689TIP3 OH256987 -3.168 0.402 3.923 + 1689TIP3 H156988 -3.161 0.498 3.930 + 1689TIP3 H256989 -3.237 0.393 3.855 + 1689TIP3 OH256990 -3.276 0.343 4.247 + 1689TIP3 H156991 -3.277 0.268 4.309 + 1689TIP3 H256992 -3.280 0.299 4.161 + 1689TIP3 OH256993 -2.921 0.621 4.036 + 1689TIP3 H156994 -2.957 0.552 4.093 + 1689TIP3 H256995 -2.876 0.672 4.107 + 1689TIP3 OH256996 -3.954 0.766 4.244 + 1689TIP3 H156997 -3.986 0.677 4.224 + 1689TIP3 H256998 -3.859 0.747 4.253 + 1689TIP3 OH256999 -4.220 0.147 3.651 + 1689TIP3 H157000 -4.246 0.220 3.708 + 1689TIP3 H257001 -4.296 0.088 3.657 + 1689TIP3 OH257002 -4.202 0.333 3.948 + 1689TIP3 H157003 -4.179 0.278 4.024 + 1689TIP3 H257004 -4.120 0.381 3.931 + 1689TIP3 OH257005 -3.208 1.162 4.114 + 1689TIP3 H157006 -3.149 1.094 4.078 + 1689TIP3 H257007 -3.235 1.125 4.200 + 1690TIP3 OH257008 -3.467 0.572 4.278 + 1690TIP3 H157009 -3.424 0.502 4.225 + 1690TIP3 H257010 -3.386 0.607 4.321 + 1690TIP3 OH257011 -3.117 0.046 4.321 + 1690TIP3 H157012 -3.075 -0.038 4.344 + 1690TIP3 H257013 -3.110 0.049 4.224 + 1690TIP3 OH257014 -3.809 -0.167 4.043 + 1690TIP3 H157015 -3.788 -0.084 3.996 + 1690TIP3 H257016 -3.840 -0.222 3.968 + 1690TIP3 OH257017 -3.017 -0.148 3.865 + 1690TIP3 H157018 -2.965 -0.188 3.939 + 1690TIP3 H257019 -2.946 -0.104 3.816 + 1690TIP3 OH257020 -4.120 0.101 4.102 + 1690TIP3 H157021 -4.078 0.044 4.168 + 1690TIP3 H257022 -4.108 0.048 4.022 + 1690TIP3 OH257023 -3.603 0.240 4.056 + 1690TIP3 H157024 -3.527 0.185 4.083 + 1690TIP3 H257025 -3.647 0.180 3.992 + 1690TIP3 OH257026 -3.169 0.689 3.792 + 1690TIP3 H157027 -3.203 0.666 3.705 + 1690TIP3 H257028 -3.215 0.773 3.811 + 1690TIP3 OH257029 -2.843 -0.206 4.067 + 1690TIP3 H157030 -2.844 -0.296 4.107 + 1690TIP3 H257031 -2.791 -0.160 4.135 + 1690TIP3 OH257032 -3.877 -0.076 4.298 + 1690TIP3 H157033 -3.900 0.015 4.279 + 1690TIP3 H257034 -3.884 -0.120 4.210 + 1690TIP3 OH257035 -4.183 0.651 3.630 + 1690TIP3 H157036 -4.263 0.670 3.578 + 1690TIP3 H257037 -4.190 0.714 3.704 + 1691TIP3 OH257038 -2.832 0.695 4.279 + 1691TIP3 H157039 -2.897 0.715 4.348 + 1691TIP3 H257040 -2.787 0.781 4.267 + 1691TIP3 OH257041 -3.510 -0.531 4.177 + 1691TIP3 H157042 -3.514 -0.628 4.183 + 1691TIP3 H257043 -3.593 -0.505 4.222 + 1691TIP3 OH257044 -3.028 1.000 3.956 + 1691TIP3 H157045 -2.978 0.918 3.938 + 1691TIP3 H257046 -2.955 1.065 3.954 + 1691TIP3 OH257047 -2.871 0.781 3.816 + 1691TIP3 H157048 -2.931 0.735 3.756 + 1691TIP3 H257049 -2.878 0.723 3.895 + 1691TIP3 OH257050 -3.296 0.359 3.642 + 1691TIP3 H157051 -3.362 0.417 3.600 + 1691TIP3 H257052 -3.223 0.360 3.578 + 1691TIP3 OH257053 -3.267 0.177 3.346 + 1691TIP3 H157054 -3.197 0.207 3.407 + 1691TIP3 H257055 -3.217 0.117 3.289 + 1691TIP3 OH257056 -2.946 0.356 3.750 + 1691TIP3 H157057 -3.011 0.379 3.820 + 1691TIP3 H257058 -2.884 0.300 3.800 + 1691TIP3 OH257059 -3.780 0.438 3.924 + 1691TIP3 H157060 -3.818 0.392 3.846 + 1691TIP3 H257061 -3.724 0.370 3.963 + 1691TIP3 OH257062 -3.681 0.753 4.157 + 1691TIP3 H157063 -3.660 0.712 4.072 + 1691TIP3 H257064 -3.599 0.742 4.206 + 1691TIP3 OH257065 -3.767 0.322 4.269 + 1691TIP3 H157066 -3.697 0.304 4.202 + 1691TIP3 H257067 -3.714 0.340 4.348 + 1692TIP3 OH257068 -3.050 0.303 3.494 + 1692TIP3 H157069 -3.003 0.329 3.576 + 1692TIP3 H257070 -2.999 0.354 3.427 + 1692TIP3 OH257071 -3.310 0.960 3.854 + 1692TIP3 H157072 -3.248 0.990 3.922 + 1692TIP3 H257073 -3.353 1.041 3.826 + 1692TIP3 OH257074 -2.705 -0.525 3.444 + 1692TIP3 H157075 -2.793 -0.516 3.485 + 1692TIP3 H257076 -2.670 -0.434 3.451 + 1692TIP3 OH257077 -3.894 0.309 3.681 + 1692TIP3 H157078 -3.917 0.384 3.623 + 1692TIP3 H257079 -3.958 0.242 3.654 + 1692TIP3 OH257080 -2.566 0.890 3.294 + 1692TIP3 H157081 -2.551 0.983 3.322 + 1692TIP3 H257082 -2.480 0.849 3.317 + 1692TIP3 OH257083 -4.290 0.869 4.215 + 1692TIP3 H157084 -4.210 0.822 4.241 + 1692TIP3 H257085 -4.303 0.923 4.294 + 1692TIP3 OH257086 -3.352 1.234 3.699 + 1692TIP3 H157087 -3.346 1.244 3.603 + 1692TIP3 H257088 -3.345 1.325 3.732 + 1692TIP3 OH257089 -3.978 1.146 3.863 + 1692TIP3 H157090 -3.952 1.104 3.948 + 1692TIP3 H257091 -4.056 1.093 3.842 + 1692TIP3 OH257092 -3.022 1.174 3.417 + 1692TIP3 H157093 -2.961 1.110 3.375 + 1692TIP3 H257094 -3.025 1.138 3.509 + 1692TIP3 OH257095 -3.081 1.117 3.695 + 1692TIP3 H157096 -3.175 1.130 3.715 + 1692TIP3 H257097 -3.057 1.052 3.763 + 1693TIP3 OH257098 -3.753 -0.441 4.291 + 1693TIP3 H157099 -3.836 -0.456 4.242 + 1693TIP3 H257100 -3.753 -0.345 4.306 + 1693TIP3 OH257101 -2.894 0.410 3.295 + 1693TIP3 H157102 -2.913 0.391 3.201 + 1693TIP3 H257103 -2.800 0.434 3.290 + 1693TIP3 OH257104 -3.331 -0.213 3.345 + 1693TIP3 H157105 -3.378 -0.228 3.428 + 1693TIP3 H257106 -3.371 -0.281 3.288 + 1693TIP3 OH257107 -3.767 0.065 3.883 + 1693TIP3 H157108 -3.863 0.057 3.865 + 1693TIP3 H257109 -3.731 0.043 3.795 + 1693TIP3 OH257110 -3.207 0.122 3.763 + 1693TIP3 H157111 -3.248 0.203 3.727 + 1693TIP3 H257112 -3.137 0.104 3.697 + 1693TIP3 OH257113 -3.128 0.061 4.042 + 1693TIP3 H157114 -3.155 0.116 3.965 + 1693TIP3 H257115 -3.105 -0.022 3.995 + 1693TIP3 OH257116 -3.689 -0.161 3.240 + 1693TIP3 H157117 -3.725 -0.205 3.319 + 1693TIP3 H257118 -3.766 -0.158 3.182 + 1693TIP3 OH257119 -4.316 -0.161 3.937 + 1693TIP3 H157120 -4.300 -0.185 4.030 + 1693TIP3 H257121 -4.286 -0.240 3.892 + 1693TIP3 OH257122 -4.209 -0.125 3.526 + 1693TIP3 H157123 -4.148 -0.100 3.455 + 1693TIP3 H257124 -4.293 -0.090 3.495 + 1693TIP3 OH257125 -3.499 -0.169 3.985 + 1693TIP3 H157126 -3.591 -0.186 4.012 + 1693TIP3 H257127 -3.450 -0.201 4.062 + 1694TIP3 OH257128 -4.038 -0.048 3.845 + 1694TIP3 H157129 -4.118 -0.042 3.790 + 1694TIP3 H257130 -4.001 -0.133 3.816 + 1694TIP3 OH257131 -3.671 -0.021 3.621 + 1694TIP3 H157132 -3.574 -0.016 3.629 + 1694TIP3 H257133 -3.693 0.041 3.549 + 1694TIP3 OH257134 -3.058 -0.314 4.282 + 1694TIP3 H157135 -3.091 -0.275 4.365 + 1694TIP3 H257136 -3.130 -0.302 4.220 + 1694TIP3 OH257137 -3.827 0.110 3.398 + 1694TIP3 H157138 -3.885 0.072 3.330 + 1694TIP3 H257139 -3.744 0.123 3.348 + 1694TIP3 OH257140 -3.403 0.064 4.192 + 1694TIP3 H157141 -3.331 0.033 4.135 + 1694TIP3 H257142 -3.397 0.000 4.265 + 1694TIP3 OH257143 -3.872 -0.285 3.793 + 1694TIP3 H157144 -3.917 -0.370 3.799 + 1694TIP3 H257145 -3.791 -0.308 3.745 + 1694TIP3 OH257146 -3.481 0.565 3.581 + 1694TIP3 H157147 -3.556 0.512 3.547 + 1694TIP3 H257148 -3.497 0.564 3.678 + 1694TIP3 OH257149 -3.062 -0.153 3.357 + 1694TIP3 H157150 -3.160 -0.157 3.356 + 1694TIP3 H257151 -3.043 -0.083 3.423 + 1694TIP3 OH257152 -2.994 0.027 3.563 + 1694TIP3 H157153 -2.908 0.010 3.605 + 1694TIP3 H257154 -2.981 0.115 3.523 + 1694TIP3 OH257155 -3.975 0.459 4.159 + 1694TIP3 H157156 -3.911 0.481 4.089 + 1694TIP3 H257157 -3.919 0.400 4.213 + 1695TIP3 OH257158 -3.239 0.699 3.472 + 1695TIP3 H157159 -3.263 0.784 3.513 + 1695TIP3 H257160 -3.312 0.642 3.501 + 1695TIP3 OH257161 -2.534 0.024 3.538 + 1695TIP3 H157162 -2.592 0.007 3.461 + 1695TIP3 H257163 -2.522 0.121 3.526 + 1695TIP3 OH257164 -2.721 0.886 3.542 + 1695TIP3 H157165 -2.739 0.814 3.605 + 1695TIP3 H257166 -2.657 0.847 3.481 + 1695TIP3 OH257167 -3.006 0.438 4.245 + 1695TIP3 H157168 -3.092 0.402 4.271 + 1695TIP3 H257169 -2.964 0.361 4.201 + 1695TIP3 OH257170 -3.726 0.827 3.871 + 1695TIP3 H157171 -3.685 0.915 3.875 + 1695TIP3 H257172 -3.820 0.850 3.865 + 1695TIP3 OH257173 -4.152 0.327 3.358 + 1695TIP3 H157174 -4.080 0.381 3.398 + 1695TIP3 H257175 -4.228 0.383 3.378 + 1695TIP3 OH257176 -3.543 0.599 3.861 + 1695TIP3 H157177 -3.578 0.690 3.861 + 1695TIP3 H257178 -3.620 0.549 3.893 + 1695TIP3 OH257179 -3.681 1.122 3.810 + 1695TIP3 H157180 -3.777 1.135 3.820 + 1695TIP3 H257181 -3.646 1.208 3.839 + 1695TIP3 OH257182 -2.970 0.729 3.336 + 1695TIP3 H157183 -2.926 0.685 3.411 + 1695TIP3 H257184 -3.062 0.715 3.362 + 1695TIP3 OH257185 -2.495 1.156 3.389 + 1695TIP3 H157186 -2.426 1.221 3.370 + 1695TIP3 H257187 -2.572 1.215 3.393 + 1696TIP3 OH257188 -2.873 0.589 3.572 + 1696TIP3 H157189 -2.900 0.519 3.634 + 1696TIP3 H257190 -2.777 0.590 3.584 + 1696TIP3 OH257191 -3.546 0.834 3.193 + 1696TIP3 H157192 -3.515 0.755 3.145 + 1696TIP3 H257193 -3.587 0.794 3.271 + 1696TIP3 OH257194 -3.664 0.786 3.466 + 1696TIP3 H157195 -3.611 0.732 3.527 + 1696TIP3 H257196 -3.647 0.877 3.500 + 1696TIP3 OH257197 -3.987 0.528 3.498 + 1696TIP3 H157198 -4.056 0.568 3.556 + 1696TIP3 H257199 -3.935 0.607 3.478 + 1696TIP3 OH257200 -3.145 -0.278 3.632 + 1696TIP3 H157201 -3.126 -0.223 3.555 + 1696TIP3 H257202 -3.101 -0.229 3.704 + 1696TIP3 OH257203 -3.366 0.948 3.528 + 1696TIP3 H157204 -3.447 0.998 3.546 + 1696TIP3 H257205 -3.329 0.996 3.453 + 1696TIP3 OH257206 -3.407 -0.076 3.726 + 1696TIP3 H157207 -3.329 -0.020 3.743 + 1696TIP3 H257208 -3.435 -0.098 3.817 + 1696TIP3 OH257209 -3.351 -0.377 3.816 + 1696TIP3 H157210 -3.359 -0.318 3.893 + 1696TIP3 H257211 -3.273 -0.340 3.772 + 1696TIP3 OH257212 -3.646 1.057 3.527 + 1696TIP3 H157213 -3.653 1.140 3.475 + 1696TIP3 H257214 -3.658 1.089 3.619 + 1696TIP3 OH257215 -3.774 -0.277 3.480 + 1696TIP3 H157216 -3.766 -0.197 3.535 + 1696TIP3 H257217 -3.692 -0.325 3.505 + 1697TIP3 OH257218 -2.896 0.202 4.137 + 1697TIP3 H157219 -2.975 0.152 4.108 + 1697TIP3 H257220 -2.839 0.130 4.173 + 1697TIP3 OH257221 -3.930 0.817 3.379 + 1697TIP3 H157222 -3.853 0.855 3.424 + 1697TIP3 H257223 -3.885 0.757 3.318 + 1697TIP3 OH257224 -4.109 0.030 3.293 + 1697TIP3 H157225 -4.110 0.122 3.322 + 1697TIP3 H257226 -4.195 0.016 3.252 + 1697TIP3 OH257227 -2.796 1.168 4.362 + 1697TIP3 H157228 -2.825 1.224 4.287 + 1697TIP3 H257229 -2.701 1.173 4.348 + 1697TIP3 OH257230 -4.024 -0.483 4.168 + 1697TIP3 H157231 -4.057 -0.478 4.076 + 1697TIP3 H257232 -4.075 -0.556 4.205 + 1697TIP3 OH257233 -4.137 0.891 3.798 + 1697TIP3 H157234 -4.227 0.925 3.802 + 1697TIP3 H257235 -4.103 0.930 3.716 + 1697TIP3 OH257236 -3.323 1.006 3.242 + 1697TIP3 H157237 -3.398 0.942 3.234 + 1697TIP3 H257238 -3.251 0.951 3.208 + 1697TIP3 OH257239 -2.860 0.995 3.252 + 1697TIP3 H157240 -2.845 0.917 3.309 + 1697TIP3 H257241 -2.778 0.998 3.201 + 1697TIP3 OH257242 -3.781 0.577 3.228 + 1697TIP3 H157243 -3.763 0.518 3.303 + 1697TIP3 H257244 -3.695 0.574 3.181 + 1697TIP3 OH257245 -3.258 0.711 3.189 + 1697TIP3 H157246 -3.260 0.706 3.286 + 1697TIP3 H257247 -3.261 0.615 3.167 + 1698TIP3 OH257248 -3.674 0.388 3.461 + 1698TIP3 H157249 -3.733 0.335 3.517 + 1698TIP3 H257250 -3.642 0.320 3.398 + 1698TIP3 OH257251 -3.575 0.190 3.288 + 1698TIP3 H157252 -3.579 0.195 3.191 + 1698TIP3 H257253 -3.479 0.184 3.303 + 1698TIP3 OH257254 -2.624 0.440 3.219 + 1698TIP3 H157255 -2.636 0.397 3.134 + 1698TIP3 H257256 -2.636 0.534 3.196 + 1698TIP3 OH257257 -3.601 1.315 3.398 + 1698TIP3 H157258 -3.505 1.321 3.411 + 1698TIP3 H257259 -3.610 1.349 3.308 + 1698TIP3 OH257260 -4.199 0.801 3.305 + 1698TIP3 H157261 -4.122 0.796 3.364 + 1698TIP3 H257262 -4.217 0.708 3.284 + 1698TIP3 OH257263 -4.275 1.078 4.017 + 1698TIP3 H157264 -4.276 0.988 4.054 + 1698TIP3 H257265 -4.245 1.125 4.097 + 1698TIP3 OH257266 -2.518 1.209 4.286 + 1698TIP3 H157267 -2.510 1.183 4.379 + 1698TIP3 H257268 -2.425 1.217 4.261 + 1698TIP3 OH257269 -2.585 0.576 3.613 + 1698TIP3 H157270 -2.494 0.608 3.631 + 1698TIP3 H257271 -2.595 0.514 3.686 + 1698TIP3 OH257272 -2.537 0.370 3.812 + 1698TIP3 H157273 -2.606 0.317 3.855 + 1698TIP3 H257274 -2.471 0.382 3.883 + 1698TIP3 OH257275 -2.548 0.606 4.337 + 1698TIP3 H157276 -2.501 0.552 4.272 + 1698TIP3 H257277 -2.565 0.689 4.290 + 1699TIP3 OH257278 -2.513 0.317 3.468 + 1699TIP3 H157279 -2.565 0.347 3.391 + 1699TIP3 H257280 -2.527 0.391 3.529 + 1699TIP3 OH257281 -2.689 0.074 3.294 + 1699TIP3 H157282 -2.662 0.131 3.222 + 1699TIP3 H257283 -2.712 -0.009 3.249 + 1699TIP3 OH257284 -2.751 0.186 3.892 + 1699TIP3 H157285 -2.754 0.090 3.879 + 1699TIP3 H257286 -2.784 0.196 3.983 + 1699TIP3 OH257287 -4.229 0.441 4.306 + 1699TIP3 H157288 -4.240 0.441 4.209 + 1699TIP3 H257289 -4.141 0.403 4.315 + 1699TIP3 OH257290 -2.740 -0.192 3.215 + 1699TIP3 H157291 -2.682 -0.242 3.275 + 1699TIP3 H257292 -2.820 -0.246 3.210 + 1699TIP3 OH257293 -2.760 -0.064 3.709 + 1699TIP3 H157294 -2.736 -0.159 3.716 + 1699TIP3 H257295 -2.678 -0.029 3.669 + 1699TIP3 OH257296 -2.736 0.009 4.222 + 1699TIP3 H157297 -2.640 0.000 4.239 + 1699TIP3 H257298 -2.774 -0.026 4.305 + 1699TIP3 OH257299 -2.712 -0.344 3.707 + 1699TIP3 H157300 -2.702 -0.376 3.798 + 1699TIP3 H257301 -2.793 -0.392 3.678 + 1699TIP3 OH257302 -4.171 -0.192 4.198 + 1699TIP3 H157303 -4.174 -0.288 4.209 + 1699TIP3 H257304 -4.105 -0.169 4.265 + 1699TIP3 OH257305 -4.347 0.062 4.318 + 1699TIP3 H157306 -4.312 0.010 4.244 + 1699TIP3 H257307 -4.288 0.139 4.317 + 1700TIP3 OH257308 -2.516 -0.294 3.372 + 1700TIP3 H157309 -2.484 -0.376 3.330 + 1700TIP3 H257310 -2.433 -0.244 3.384 + 1700TIP3 OH257311 -4.316 -0.341 3.649 + 1700TIP3 H157312 -4.402 -0.317 3.611 + 1700TIP3 H257313 -4.259 -0.269 3.614 + 1700TIP3 OH257314 -2.833 1.208 3.899 + 1700TIP3 H157315 -2.780 1.178 3.823 + 1700TIP3 H257316 -2.764 1.241 3.959 + 1700TIP3 OH257317 -4.155 1.122 4.264 + 1700TIP3 H157318 -4.128 1.118 4.358 + 1700TIP3 H257319 -4.069 1.102 4.223 + 1700TIP3 OH257320 -3.909 1.023 4.115 + 1700TIP3 H157321 -3.924 0.931 4.146 + 1700TIP3 H257322 -3.820 1.041 4.149 + 1700TIP3 OH257323 -3.634 1.069 4.213 + 1700TIP3 H157324 -3.609 0.981 4.182 + 1700TIP3 H257325 -3.626 1.058 4.308 + 1700TIP3 OH257326 -3.303 -0.331 4.122 + 1700TIP3 H157327 -3.360 -0.405 4.153 + 1700TIP3 H257328 -3.231 -0.381 4.077 + 1700TIP3 OH257329 -2.805 -0.458 4.149 + 1700TIP3 H157330 -2.722 -0.502 4.128 + 1700TIP3 H257331 -2.874 -0.521 4.124 + 1700TIP3 OH257332 -2.588 -0.430 3.955 + 1700TIP3 H157333 -2.513 -0.467 3.905 + 1700TIP3 H257334 -2.560 -0.338 3.973 + 1700TIP3 OH257335 -4.107 -0.483 3.885 + 1700TIP3 H157336 -4.181 -0.511 3.830 + 1700TIP3 H257337 -4.046 -0.558 3.875 + 1701TIP3 OH257338 -4.180 -0.523 3.470 + 1701TIP3 H157339 -4.132 -0.455 3.420 + 1701TIP3 H257340 -4.234 -0.468 3.530 + 1701TIP3 OH257341 -3.612 -0.492 3.891 + 1701TIP3 H157342 -3.523 -0.459 3.872 + 1701TIP3 H257343 -3.608 -0.504 3.987 + 1701TIP3 OH257344 -3.081 -0.478 3.998 + 1701TIP3 H157345 -3.030 -0.504 3.920 + 1701TIP3 H257346 -3.099 -0.563 4.041 + 1701TIP3 OH257347 -2.944 -0.484 3.616 + 1701TIP3 H157348 -3.026 -0.432 3.604 + 1701TIP3 H257349 -2.980 -0.573 3.629 + 1701TIP3 OH257350 -4.189 1.079 3.573 + 1701TIP3 H157351 -4.251 1.062 3.501 + 1701TIP3 H257352 -4.183 1.176 3.571 + 1701TIP3 OH257353 -4.004 -0.329 3.320 + 1701TIP3 H157354 -3.951 -0.394 3.271 + 1701TIP3 H257355 -3.942 -0.306 3.392 + 1701TIP3 OH257356 -3.501 -0.320 3.583 + 1701TIP3 H157357 -3.463 -0.378 3.652 + 1701TIP3 H257358 -3.479 -0.234 3.621 + 1701TIP3 OH257359 -3.296 1.260 3.402 + 1701TIP3 H157360 -3.198 1.260 3.401 + 1701TIP3 H257361 -3.313 1.190 3.336 + 1701TIP3 OH257362 -2.645 1.161 3.664 + 1701TIP3 H157363 -2.669 1.078 3.618 + 1701TIP3 H257364 -2.648 1.225 3.591 + 1701TIP3 OH257365 -4.009 1.182 3.272 + 1701TIP3 H157366 -4.040 1.195 3.363 + 1701TIP3 H257367 -3.943 1.112 3.283 + 1702TIP3 OH257368 -1.282 0.402 3.922 + 1702TIP3 H157369 -1.276 0.499 3.930 + 1702TIP3 H257370 -1.352 0.392 3.856 + 1702TIP3 OH257371 -1.385 0.342 4.246 + 1702TIP3 H157372 -1.390 0.268 4.309 + 1702TIP3 H257373 -1.397 0.298 4.161 + 1702TIP3 OH257374 -1.026 0.617 4.043 + 1702TIP3 H157375 -1.064 0.552 4.104 + 1702TIP3 H257376 -0.992 0.680 4.110 + 1702TIP3 OH257377 -2.074 0.765 4.247 + 1702TIP3 H157378 -2.101 0.674 4.223 + 1702TIP3 H257379 -1.978 0.749 4.258 + 1702TIP3 OH257380 -2.376 0.115 3.776 + 1702TIP3 H157381 -2.419 0.201 3.787 + 1702TIP3 H257382 -2.449 0.061 3.742 + 1702TIP3 OH257383 -2.302 0.350 3.974 + 1702TIP3 H157384 -2.281 0.272 4.030 + 1702TIP3 H257385 -2.218 0.361 3.927 + 1702TIP3 OH257386 -1.324 1.159 4.113 + 1702TIP3 H157387 -1.260 1.092 4.083 + 1702TIP3 H257388 -1.350 1.127 4.201 + 1702TIP3 OH257389 -1.582 0.570 4.277 + 1702TIP3 H157390 -1.537 0.503 4.223 + 1702TIP3 H257391 -1.502 0.607 4.321 + 1702TIP3 OH257392 -1.232 0.045 4.322 + 1702TIP3 H157393 -1.189 -0.040 4.342 + 1702TIP3 H257394 -1.225 0.050 4.225 + 1702TIP3 OH257395 -1.921 -0.168 4.042 + 1702TIP3 H157396 -1.904 -0.083 3.997 + 1702TIP3 H257397 -1.953 -0.221 3.966 + 1703TIP3 OH257398 -1.132 -0.148 3.864 + 1703TIP3 H157399 -1.079 -0.187 3.938 + 1703TIP3 H257400 -1.061 -0.103 3.816 + 1703TIP3 OH257401 -2.221 0.100 4.099 + 1703TIP3 H157402 -2.181 0.034 4.157 + 1703TIP3 H257403 -2.221 0.052 4.014 + 1703TIP3 OH257404 -1.716 0.240 4.055 + 1703TIP3 H157405 -1.641 0.184 4.083 + 1703TIP3 H257406 -1.761 0.181 3.991 + 1703TIP3 OH257407 -1.283 0.690 3.792 + 1703TIP3 H157408 -1.318 0.667 3.706 + 1703TIP3 H257409 -1.329 0.774 3.812 + 1703TIP3 OH257410 -0.957 -0.202 4.065 + 1703TIP3 H157411 -0.957 -0.294 4.100 + 1703TIP3 H257412 -0.906 -0.159 4.136 + 1703TIP3 OH257413 -1.995 -0.076 4.298 + 1703TIP3 H157414 -2.014 0.016 4.278 + 1703TIP3 H257415 -2.000 -0.121 4.211 + 1703TIP3 OH257416 -2.308 0.659 3.627 + 1703TIP3 H157417 -2.330 0.710 3.547 + 1703TIP3 H257418 -2.293 0.729 3.694 + 1703TIP3 OH257419 -0.956 0.765 4.252 + 1703TIP3 H157420 -1.021 0.757 4.324 + 1703TIP3 H257421 -0.904 0.840 4.281 + 1703TIP3 OH257422 -1.624 -0.530 4.177 + 1703TIP3 H157423 -1.629 -0.627 4.183 + 1703TIP3 H257424 -1.707 -0.505 4.222 + 1703TIP3 OH257425 -1.134 1.000 3.961 + 1703TIP3 H157426 -1.088 0.919 3.934 + 1703TIP3 H257427 -1.067 1.068 3.941 + 1704TIP3 OH257428 -0.987 0.781 3.821 + 1704TIP3 H157429 -1.045 0.736 3.759 + 1704TIP3 H257430 -0.993 0.721 3.898 + 1704TIP3 OH257431 -1.410 0.357 3.642 + 1704TIP3 H157432 -1.476 0.417 3.603 + 1704TIP3 H257433 -1.338 0.361 3.577 + 1704TIP3 OH257434 -1.381 0.179 3.343 + 1704TIP3 H157435 -1.313 0.207 3.407 + 1704TIP3 H257436 -1.330 0.117 3.289 + 1704TIP3 OH257437 -1.060 0.356 3.750 + 1704TIP3 H157438 -1.126 0.379 3.820 + 1704TIP3 H257439 -0.999 0.300 3.801 + 1704TIP3 OH257440 -1.896 0.438 3.924 + 1704TIP3 H157441 -1.933 0.392 3.846 + 1704TIP3 H257442 -1.840 0.370 3.964 + 1704TIP3 OH257443 -1.798 0.756 4.155 + 1704TIP3 H157444 -1.774 0.711 4.073 + 1704TIP3 H257445 -1.718 0.746 4.209 + 1704TIP3 OH257446 -1.880 0.323 4.270 + 1704TIP3 H157447 -1.811 0.307 4.202 + 1704TIP3 H257448 -1.827 0.343 4.348 + 1704TIP3 OH257449 -1.163 0.303 3.494 + 1704TIP3 H157450 -1.117 0.329 3.577 + 1704TIP3 H257451 -1.113 0.354 3.427 + 1704TIP3 OH257452 -1.418 0.961 3.852 + 1704TIP3 H157453 -1.369 0.993 3.929 + 1704TIP3 H257454 -1.468 1.039 3.825 + 1704TIP3 OH257455 -0.814 -0.535 3.455 + 1704TIP3 H157456 -0.907 -0.518 3.482 + 1704TIP3 H257457 -0.781 -0.444 3.445 + 1705TIP3 OH257458 -2.006 0.309 3.681 + 1705TIP3 H157459 -2.029 0.384 3.623 + 1705TIP3 H257460 -2.071 0.243 3.655 + 1705TIP3 OH257461 -0.682 0.892 3.301 + 1705TIP3 H157462 -0.661 0.986 3.316 + 1705TIP3 H257463 -0.595 0.850 3.320 + 1705TIP3 OH257464 -2.385 0.854 4.229 + 1705TIP3 H157465 -2.290 0.846 4.246 + 1705TIP3 H257466 -2.412 0.924 4.290 + 1705TIP3 OH257467 -1.463 1.233 3.699 + 1705TIP3 H157468 -1.462 1.246 3.602 + 1705TIP3 H257469 -1.461 1.324 3.733 + 1705TIP3 OH257470 -2.082 1.146 3.862 + 1705TIP3 H157471 -2.068 1.100 3.947 + 1705TIP3 H257472 -2.167 1.110 3.834 + 1705TIP3 OH257473 -1.135 1.175 3.416 + 1705TIP3 H157474 -1.076 1.110 3.375 + 1705TIP3 H257475 -1.141 1.141 3.508 + 1705TIP3 OH257476 -1.197 1.117 3.692 + 1705TIP3 H157477 -1.291 1.132 3.713 + 1705TIP3 H257478 -1.175 1.051 3.760 + 1705TIP3 OH257479 -1.867 -0.440 4.290 + 1705TIP3 H157480 -1.951 -0.451 4.242 + 1705TIP3 H257481 -1.864 -0.345 4.308 + 1705TIP3 OH257482 -1.010 0.410 3.293 + 1705TIP3 H157483 -1.026 0.389 3.200 + 1705TIP3 H257484 -0.915 0.434 3.290 + 1705TIP3 OH257485 -1.445 -0.213 3.345 + 1705TIP3 H157486 -1.494 -0.228 3.427 + 1705TIP3 H257487 -1.485 -0.281 3.288 + 1706TIP3 OH257488 -1.879 0.067 3.883 + 1706TIP3 H157489 -1.975 0.056 3.868 + 1706TIP3 H257490 -1.845 0.042 3.795 + 1706TIP3 OH257491 -1.321 0.121 3.764 + 1706TIP3 H157492 -1.362 0.203 3.728 + 1706TIP3 H257493 -1.252 0.104 3.697 + 1706TIP3 OH257494 -1.242 0.061 4.042 + 1706TIP3 H157495 -1.269 0.116 3.966 + 1706TIP3 H257496 -1.220 -0.022 3.996 + 1706TIP3 OH257497 -1.803 -0.164 3.235 + 1706TIP3 H157498 -1.836 -0.202 3.319 + 1706TIP3 H257499 -1.883 -0.159 3.182 + 1706TIP3 OH257500 -2.450 -0.173 3.941 + 1706TIP3 H157501 -2.397 -0.184 4.022 + 1706TIP3 H257502 -2.402 -0.222 3.874 + 1706TIP3 OH257503 -2.298 -0.139 3.512 + 1706TIP3 H157504 -2.243 -0.089 3.449 + 1706TIP3 H257505 -2.367 -0.073 3.532 + 1706TIP3 OH257506 -1.613 -0.170 3.984 + 1706TIP3 H157507 -1.706 -0.184 4.009 + 1706TIP3 H257508 -1.566 -0.201 4.064 + 1706TIP3 OH257509 -2.146 -0.052 3.852 + 1706TIP3 H157510 -2.230 -0.026 3.809 + 1706TIP3 H257511 -2.120 -0.132 3.803 + 1706TIP3 OH257512 -1.785 -0.022 3.621 + 1706TIP3 H157513 -1.688 -0.014 3.627 + 1706TIP3 H257514 -1.809 0.040 3.550 + 1706TIP3 OH257515 -1.170 -0.311 4.282 + 1706TIP3 H157516 -1.206 -0.276 4.365 + 1706TIP3 H257517 -1.244 -0.304 4.220 + 1707TIP3 OH257518 -1.940 0.106 3.399 + 1707TIP3 H157519 -2.000 0.073 3.330 + 1707TIP3 H257520 -1.859 0.122 3.349 + 1707TIP3 OH257521 -1.516 0.065 4.192 + 1707TIP3 H157522 -1.445 0.032 4.135 + 1707TIP3 H257523 -1.513 0.001 4.264 + 1707TIP3 OH257524 -1.972 -0.281 3.785 + 1707TIP3 H157525 -2.028 -0.359 3.800 + 1707TIP3 H257526 -1.892 -0.320 3.748 + 1707TIP3 OH257527 -1.593 0.562 3.582 + 1707TIP3 H157528 -1.669 0.511 3.547 + 1707TIP3 H257529 -1.612 0.565 3.679 + 1707TIP3 OH257530 -1.176 -0.153 3.357 + 1707TIP3 H157531 -1.275 -0.157 3.356 + 1707TIP3 H257532 -1.158 -0.083 3.423 + 1707TIP3 OH257533 -1.109 0.028 3.563 + 1707TIP3 H157534 -1.022 0.010 3.605 + 1707TIP3 H257535 -1.096 0.116 3.523 + 1707TIP3 OH257536 -2.092 0.474 4.175 + 1707TIP3 H157537 -2.034 0.484 4.098 + 1707TIP3 H257538 -2.044 0.404 4.223 + 1707TIP3 OH257539 -1.354 0.698 3.472 + 1707TIP3 H157540 -1.379 0.784 3.512 + 1707TIP3 H257541 -1.428 0.643 3.502 + 1707TIP3 OH257542 -0.649 0.025 3.539 + 1707TIP3 H157543 -0.705 0.007 3.462 + 1707TIP3 H257544 -0.637 0.122 3.526 + 1707TIP3 OH257545 -0.836 0.891 3.546 + 1707TIP3 H157546 -0.852 0.815 3.605 + 1707TIP3 H257547 -0.774 0.855 3.481 + 1708TIP3 OH257548 -1.115 0.436 4.248 + 1708TIP3 H157549 -1.206 0.406 4.269 + 1708TIP3 H257550 -1.079 0.359 4.200 + 1708TIP3 OH257551 -1.839 0.827 3.868 + 1708TIP3 H157552 -1.800 0.915 3.874 + 1708TIP3 H257553 -1.934 0.848 3.866 + 1708TIP3 OH257554 -2.243 0.310 3.350 + 1708TIP3 H157555 -2.184 0.377 3.391 + 1708TIP3 H257556 -2.329 0.335 3.386 + 1708TIP3 OH257557 -1.658 0.599 3.860 + 1708TIP3 H157558 -1.693 0.690 3.861 + 1708TIP3 H257559 -1.734 0.549 3.892 + 1708TIP3 OH257560 -1.796 1.121 3.811 + 1708TIP3 H157561 -1.892 1.135 3.820 + 1708TIP3 H257562 -1.762 1.209 3.838 + 1708TIP3 OH257563 -1.086 0.729 3.336 + 1708TIP3 H157564 -1.041 0.685 3.410 + 1708TIP3 H257565 -1.178 0.715 3.364 + 1708TIP3 OH257566 -0.596 1.165 3.364 + 1708TIP3 H157567 -0.525 1.232 3.372 + 1708TIP3 H257568 -0.672 1.217 3.394 + 1708TIP3 OH257569 -0.987 0.589 3.572 + 1708TIP3 H157570 -1.014 0.520 3.634 + 1708TIP3 H257571 -0.891 0.591 3.583 + 1708TIP3 OH257572 -1.660 0.831 3.189 + 1708TIP3 H157573 -1.626 0.749 3.149 + 1708TIP3 H257574 -1.701 0.797 3.270 + 1708TIP3 OH257575 -1.773 0.787 3.462 + 1708TIP3 H157576 -1.726 0.733 3.528 + 1708TIP3 H257577 -1.761 0.877 3.497 + 1709TIP3 OH257578 -2.091 0.531 3.503 + 1709TIP3 H157579 -2.164 0.568 3.557 + 1709TIP3 H257580 -2.044 0.613 3.479 + 1709TIP3 OH257581 -1.256 -0.280 3.632 + 1709TIP3 H157582 -1.241 -0.223 3.555 + 1709TIP3 H257583 -1.216 -0.229 3.704 + 1709TIP3 OH257584 -1.482 0.946 3.526 + 1709TIP3 H157585 -1.562 0.997 3.548 + 1709TIP3 H257586 -1.442 1.000 3.457 + 1709TIP3 OH257587 -1.520 -0.077 3.727 + 1709TIP3 H157588 -1.443 -0.020 3.744 + 1709TIP3 H257589 -1.550 -0.098 3.817 + 1709TIP3 OH257590 -1.466 -0.377 3.817 + 1709TIP3 H157591 -1.475 -0.317 3.892 + 1709TIP3 H257592 -1.387 -0.340 3.773 + 1709TIP3 OH257593 -1.760 1.057 3.527 + 1709TIP3 H157594 -1.766 1.139 3.474 + 1709TIP3 H257595 -1.775 1.089 3.618 + 1709TIP3 OH257596 -1.887 -0.276 3.473 + 1709TIP3 H157597 -1.886 -0.202 3.536 + 1709TIP3 H257598 -1.807 -0.325 3.501 + 1709TIP3 OH257599 -1.011 0.202 4.135 + 1709TIP3 H157600 -1.090 0.152 4.108 + 1709TIP3 H257601 -0.954 0.130 4.172 + 1709TIP3 OH257602 -2.047 0.813 3.377 + 1709TIP3 H157603 -1.975 0.862 3.420 + 1709TIP3 H257604 -1.995 0.759 3.315 + 1709TIP3 OH257605 -2.230 0.031 3.290 + 1709TIP3 H157606 -2.222 0.125 3.316 + 1709TIP3 H257607 -2.319 0.028 3.254 + 1710TIP3 OH257608 -0.881 1.179 4.318 + 1710TIP3 H157609 -0.908 1.224 4.236 + 1710TIP3 H257610 -0.794 1.145 4.290 + 1710TIP3 OH257611 -2.144 -0.471 4.172 + 1710TIP3 H157612 -2.159 -0.467 4.075 + 1710TIP3 H257613 -2.179 -0.557 4.196 + 1710TIP3 OH257614 -2.254 0.879 3.797 + 1710TIP3 H157615 -2.329 0.933 3.826 + 1710TIP3 H257616 -2.215 0.936 3.729 + 1710TIP3 OH257617 -1.438 1.007 3.239 + 1710TIP3 H157618 -1.513 0.944 3.236 + 1710TIP3 H257619 -1.366 0.949 3.208 + 1710TIP3 OH257620 -0.975 0.994 3.251 + 1710TIP3 H157621 -0.959 0.917 3.308 + 1710TIP3 H257622 -0.893 0.999 3.201 + 1710TIP3 OH257623 -1.893 0.578 3.227 + 1710TIP3 H157624 -1.880 0.520 3.303 + 1710TIP3 H257625 -1.806 0.571 3.184 + 1710TIP3 OH257626 -1.372 0.712 3.188 + 1710TIP3 H157627 -1.373 0.706 3.286 + 1710TIP3 H257628 -1.378 0.617 3.166 + 1710TIP3 OH257629 -1.786 0.387 3.461 + 1710TIP3 H157630 -1.848 0.337 3.516 + 1710TIP3 H257631 -1.756 0.318 3.398 + 1710TIP3 OH257632 -1.690 0.189 3.288 + 1710TIP3 H157633 -1.695 0.192 3.191 + 1710TIP3 H257634 -1.593 0.184 3.303 + 1710TIP3 OH257635 -0.741 0.439 3.221 + 1710TIP3 H157636 -0.746 0.396 3.134 + 1710TIP3 H257637 -0.747 0.534 3.196 + 1711TIP3 OH257638 -1.713 1.309 3.395 + 1711TIP3 H157639 -1.618 1.323 3.409 + 1711TIP3 H257640 -1.727 1.359 3.314 + 1711TIP3 OH257641 -2.323 0.752 3.350 + 1711TIP3 H157642 -2.228 0.770 3.364 + 1711TIP3 H257643 -2.320 0.673 3.292 + 1711TIP3 OH257644 -2.418 1.266 3.822 + 1711TIP3 H157645 -2.494 1.233 3.770 + 1711TIP3 H257646 -2.414 1.200 3.894 + 1711TIP3 OH257647 -2.382 1.070 4.021 + 1711TIP3 H157648 -2.414 0.982 4.049 + 1711TIP3 H257649 -2.349 1.101 4.107 + 1711TIP3 OH257650 -0.619 1.162 4.283 + 1711TIP3 H157651 -0.661 1.215 4.352 + 1711TIP3 H257652 -0.549 1.223 4.256 + 1711TIP3 OH257653 -0.701 0.577 3.613 + 1711TIP3 H157654 -0.610 0.610 3.629 + 1711TIP3 H257655 -0.709 0.514 3.686 + 1711TIP3 OH257656 -0.644 0.365 3.816 + 1711TIP3 H157657 -0.720 0.316 3.855 + 1711TIP3 H257658 -0.590 0.386 3.894 + 1711TIP3 OH257659 -0.688 0.602 4.329 + 1711TIP3 H157660 -0.621 0.557 4.277 + 1711TIP3 H257661 -0.690 0.691 4.291 + 1711TIP3 OH257662 -0.631 0.316 3.470 + 1711TIP3 H157663 -0.680 0.345 3.391 + 1711TIP3 H257664 -0.640 0.393 3.528 + 1711TIP3 OH257665 -0.805 0.075 3.294 + 1711TIP3 H157666 -0.774 0.132 3.222 + 1711TIP3 H257667 -0.827 -0.008 3.248 + 1712TIP3 OH257668 -0.863 0.188 3.892 + 1712TIP3 H157669 -0.867 0.092 3.878 + 1712TIP3 H257670 -0.899 0.197 3.983 + 1712TIP3 OH257671 -2.376 0.367 4.260 + 1712TIP3 H157672 -2.339 0.401 4.177 + 1712TIP3 H257673 -2.299 0.370 4.319 + 1712TIP3 OH257674 -0.855 -0.191 3.216 + 1712TIP3 H157675 -0.797 -0.243 3.275 + 1712TIP3 H257676 -0.935 -0.245 3.208 + 1712TIP3 OH257677 -0.874 -0.064 3.709 + 1712TIP3 H157678 -0.850 -0.159 3.716 + 1712TIP3 H257679 -0.793 -0.028 3.669 + 1712TIP3 OH257680 -0.850 0.010 4.224 + 1712TIP3 H157681 -0.755 0.000 4.240 + 1712TIP3 H257682 -0.890 -0.026 4.305 + 1712TIP3 OH257683 -0.826 -0.347 3.707 + 1712TIP3 H157684 -0.823 -0.374 3.801 + 1712TIP3 H257685 -0.907 -0.392 3.677 + 1712TIP3 OH257686 -2.300 -0.211 4.191 + 1712TIP3 H157687 -2.274 -0.304 4.203 + 1712TIP3 H257688 -2.246 -0.169 4.258 + 1712TIP3 OH257689 -2.461 0.073 4.303 + 1712TIP3 H157690 -2.419 0.037 4.223 + 1712TIP3 H257691 -2.435 0.167 4.297 + 1712TIP3 OH257692 -0.631 -0.298 3.375 + 1712TIP3 H157693 -0.598 -0.377 3.330 + 1712TIP3 H257694 -0.549 -0.245 3.384 + 1712TIP3 OH257695 -2.405 -0.325 3.692 + 1712TIP3 H157696 -2.500 -0.318 3.673 + 1712TIP3 H257697 -2.365 -0.263 3.628 + 1713TIP3 OH257698 -0.946 1.194 3.870 + 1713TIP3 H157699 -0.869 1.157 3.824 + 1713TIP3 H257700 -0.905 1.245 3.943 + 1713TIP3 OH257701 -2.245 1.114 4.260 + 1713TIP3 H157702 -2.211 1.112 4.352 + 1713TIP3 H257703 -2.162 1.091 4.213 + 1713TIP3 OH257704 -2.020 1.020 4.117 + 1713TIP3 H157705 -2.031 0.926 4.143 + 1713TIP3 H257706 -1.928 1.037 4.147 + 1713TIP3 OH257707 -1.751 1.068 4.213 + 1713TIP3 H157708 -1.720 0.980 4.184 + 1713TIP3 H257709 -1.739 1.060 4.308 + 1713TIP3 OH257710 -1.415 -0.332 4.125 + 1713TIP3 H157711 -1.474 -0.405 4.153 + 1713TIP3 H257712 -1.346 -0.381 4.076 + 1713TIP3 OH257713 -0.919 -0.457 4.128 + 1713TIP3 H157714 -0.841 -0.510 4.150 + 1713TIP3 H257715 -0.990 -0.521 4.140 + 1713TIP3 OH257716 -0.692 -0.433 3.953 + 1713TIP3 H157717 -0.618 -0.449 3.894 + 1713TIP3 H257718 -0.679 -0.340 3.978 + 1713TIP3 OH257719 -2.176 -0.470 3.888 + 1713TIP3 H157720 -2.262 -0.484 3.843 + 1713TIP3 H257721 -2.133 -0.556 3.874 + 1713TIP3 OH257722 -2.295 -0.521 3.477 + 1713TIP3 H157723 -2.244 -0.455 3.426 + 1713TIP3 H257724 -2.335 -0.467 3.547 + 1713TIP3 OH257725 -1.726 -0.493 3.890 + 1713TIP3 H157726 -1.637 -0.459 3.872 + 1713TIP3 H257727 -1.723 -0.503 3.987 + 1714TIP3 OH257728 -1.200 -0.478 3.997 + 1714TIP3 H157729 -1.145 -0.503 3.922 + 1714TIP3 H257730 -1.214 -0.563 4.042 + 1714TIP3 OH257731 -1.058 -0.484 3.614 + 1714TIP3 H157732 -1.138 -0.430 3.605 + 1714TIP3 H257733 -1.097 -0.572 3.628 + 1714TIP3 OH257734 -2.275 1.075 3.591 + 1714TIP3 H157735 -2.341 1.064 3.521 + 1714TIP3 H257736 -2.278 1.170 3.604 + 1714TIP3 OH257737 -2.123 -0.338 3.320 + 1714TIP3 H157738 -2.063 -0.396 3.270 + 1714TIP3 H257739 -2.063 -0.306 3.391 + 1714TIP3 OH257740 -1.614 -0.320 3.583 + 1714TIP3 H157741 -1.577 -0.376 3.653 + 1714TIP3 H257742 -1.596 -0.233 3.620 + 1714TIP3 OH257743 -1.410 1.259 3.404 + 1714TIP3 H157744 -1.312 1.259 3.402 + 1714TIP3 H257745 -1.429 1.192 3.337 + 1714TIP3 OH257746 -0.730 1.158 3.654 + 1714TIP3 H157747 -0.767 1.077 3.613 + 1714TIP3 H257748 -0.766 1.228 3.598 + 1714TIP3 OH257749 -2.134 1.168 3.271 + 1714TIP3 H157750 -2.160 1.198 3.359 + 1714TIP3 H257751 -2.055 1.114 3.291 + 1714TIP3 OH257752 0.636 0.430 3.859 + 1714TIP3 H157753 0.628 0.525 3.882 + 1714TIP3 H257754 0.545 0.407 3.836 + 1714TIP3 OH257755 0.553 0.321 4.303 + 1714TIP3 H157756 0.520 0.264 4.375 + 1714TIP3 H257757 0.565 0.256 4.233 + 1715TIP3 OH257758 0.865 0.618 4.035 + 1715TIP3 H157759 0.823 0.552 4.092 + 1715TIP3 H257760 0.909 0.672 4.104 + 1715TIP3 OH257761 -0.183 0.746 4.252 + 1715TIP3 H157762 -0.216 0.670 4.204 + 1715TIP3 H257763 -0.087 0.736 4.239 + 1715TIP3 OH257764 -0.493 0.121 3.784 + 1715TIP3 H157765 -0.541 0.206 3.781 + 1715TIP3 H257766 -0.557 0.061 3.745 + 1715TIP3 OH257767 -0.386 0.363 3.999 + 1715TIP3 H157768 -0.386 0.270 4.026 + 1715TIP3 H257769 -0.331 0.360 3.919 + 1715TIP3 OH257770 0.562 1.160 4.114 + 1715TIP3 H157771 0.624 1.092 4.081 + 1715TIP3 H257772 0.537 1.125 4.200 + 1715TIP3 OH257773 0.303 0.545 4.269 + 1715TIP3 H157774 0.367 0.520 4.202 + 1715TIP3 H257775 0.366 0.589 4.331 + 1715TIP3 OH257776 0.640 0.026 4.326 + 1715TIP3 H157777 0.692 -0.054 4.341 + 1715TIP3 H257778 0.658 0.044 4.232 + 1715TIP3 OH257779 -0.040 -0.168 4.044 + 1715TIP3 H157780 -0.015 -0.085 3.999 + 1715TIP3 H257781 -0.068 -0.221 3.966 + 1715TIP3 OH257782 0.754 -0.145 3.867 + 1715TIP3 H157783 0.807 -0.185 3.940 + 1715TIP3 H257784 0.825 -0.105 3.815 + 1715TIP3 OH257785 -0.333 0.097 4.099 + 1715TIP3 H157786 -0.299 0.026 4.154 + 1715TIP3 H257787 -0.334 0.054 4.011 + 1716TIP3 OH257788 0.592 0.711 3.798 + 1716TIP3 H157789 0.580 0.683 3.707 + 1716TIP3 H257790 0.546 0.797 3.802 + 1716TIP3 OH257791 0.926 -0.205 4.068 + 1716TIP3 H157792 0.926 -0.296 4.106 + 1716TIP3 H257793 0.982 -0.161 4.134 + 1716TIP3 OH257794 -0.113 -0.082 4.298 + 1716TIP3 H157795 -0.138 0.009 4.280 + 1716TIP3 H257796 -0.113 -0.124 4.209 + 1716TIP3 OH257797 -0.427 0.659 3.627 + 1716TIP3 H157798 -0.442 0.708 3.544 + 1716TIP3 H257799 -0.408 0.730 3.692 + 1716TIP3 OH257800 0.945 0.746 4.264 + 1716TIP3 H157801 0.893 0.721 4.343 + 1716TIP3 H257802 1.020 0.791 4.305 + 1716TIP3 OH257803 0.260 -0.530 4.176 + 1716TIP3 H157804 0.260 -0.627 4.182 + 1716TIP3 H257805 0.177 -0.507 4.223 + 1716TIP3 OH257806 0.751 1.001 3.961 + 1716TIP3 H157807 0.797 0.920 3.931 + 1716TIP3 H257808 0.820 1.068 3.945 + 1716TIP3 OH257809 0.895 0.787 3.822 + 1716TIP3 H157810 0.848 0.739 3.752 + 1716TIP3 H257811 0.892 0.721 3.894 + 1716TIP3 OH257812 0.460 0.353 3.632 + 1716TIP3 H157813 0.404 0.413 3.580 + 1716TIP3 H257814 0.544 0.358 3.583 + 1716TIP3 OH257815 0.503 0.174 3.347 + 1716TIP3 H157816 0.572 0.207 3.408 + 1716TIP3 H257817 0.556 0.119 3.288 + 1717TIP3 OH257818 0.859 0.348 3.733 + 1717TIP3 H157819 0.786 0.382 3.790 + 1717TIP3 H257820 0.906 0.289 3.795 + 1717TIP3 OH257821 0.080 0.722 4.163 + 1717TIP3 H157822 0.111 0.723 4.071 + 1717TIP3 H257823 0.157 0.759 4.211 + 1717TIP3 OH257824 0.720 0.306 3.497 + 1717TIP3 H157825 0.777 0.326 3.574 + 1717TIP3 H257826 0.770 0.353 3.425 + 1717TIP3 OH257827 0.458 0.961 3.855 + 1717TIP3 H157828 0.518 0.991 3.924 + 1717TIP3 H257829 0.420 1.043 3.822 + 1717TIP3 OH257830 1.066 -0.524 3.443 + 1717TIP3 H157831 0.979 -0.515 3.486 + 1717TIP3 H257832 1.102 -0.434 3.449 + 1717TIP3 OH257833 -0.121 0.328 3.714 + 1717TIP3 H157834 -0.132 0.398 3.648 + 1717TIP3 H257835 -0.166 0.254 3.673 + 1717TIP3 OH257836 1.204 0.889 3.298 + 1717TIP3 H157837 1.220 0.982 3.322 + 1717TIP3 H257838 1.291 0.848 3.317 + 1717TIP3 OH257839 -0.501 0.857 4.239 + 1717TIP3 H157840 -0.406 0.858 4.254 + 1717TIP3 H257841 -0.532 0.940 4.280 + 1717TIP3 OH257842 0.424 1.231 3.699 + 1717TIP3 H157843 0.424 1.242 3.602 + 1717TIP3 H257844 0.425 1.323 3.730 + 1717TIP3 OH257845 -0.198 1.138 3.858 + 1717TIP3 H157846 -0.182 1.103 3.948 + 1717TIP3 H257847 -0.286 1.103 3.840 + 1718TIP3 OH257848 0.755 1.177 3.419 + 1718TIP3 H157849 0.811 1.111 3.373 + 1718TIP3 H257850 0.748 1.137 3.508 + 1718TIP3 OH257851 0.692 1.117 3.697 + 1718TIP3 H157852 0.597 1.134 3.712 + 1718TIP3 H257853 0.709 1.046 3.761 + 1718TIP3 OH257854 0.018 -0.438 4.292 + 1718TIP3 H157855 -0.065 -0.451 4.242 + 1718TIP3 H257856 0.019 -0.343 4.308 + 1718TIP3 OH257857 0.877 0.409 3.296 + 1718TIP3 H157858 0.857 0.392 3.201 + 1718TIP3 H257859 0.971 0.433 3.290 + 1718TIP3 OH257860 0.439 -0.212 3.345 + 1718TIP3 H157861 0.393 -0.229 3.428 + 1718TIP3 H257862 0.401 -0.282 3.288 + 1718TIP3 OH257863 0.015 0.077 3.905 + 1718TIP3 H157864 -0.077 0.077 3.877 + 1718TIP3 H257865 0.060 0.062 3.820 + 1718TIP3 OH257866 0.565 0.125 3.766 + 1718TIP3 H157867 0.521 0.201 3.722 + 1718TIP3 H257868 0.635 0.104 3.701 + 1718TIP3 OH257869 0.642 0.067 4.041 + 1718TIP3 H157870 0.616 0.112 3.957 + 1718TIP3 H257871 0.665 -0.021 4.003 + 1718TIP3 OH257872 0.083 -0.161 3.238 + 1718TIP3 H157873 0.047 -0.204 3.318 + 1718TIP3 H257874 0.006 -0.157 3.180 + 1718TIP3 OH257875 -0.561 -0.169 3.941 + 1718TIP3 H157876 -0.510 -0.185 4.022 + 1718TIP3 H257877 -0.515 -0.221 3.874 + 1719TIP3 OH257878 -0.413 -0.139 3.514 + 1719TIP3 H157879 -0.357 -0.091 3.449 + 1719TIP3 H257880 -0.482 -0.073 3.531 + 1719TIP3 OH257881 0.275 -0.169 3.987 + 1719TIP3 H157882 0.183 -0.186 4.011 + 1719TIP3 H257883 0.324 -0.207 4.062 + 1719TIP3 OH257884 -0.257 -0.046 3.854 + 1719TIP3 H157885 -0.340 -0.024 3.808 + 1719TIP3 H257886 -0.224 -0.124 3.805 + 1719TIP3 OH257887 0.098 -0.012 3.630 + 1719TIP3 H157888 0.196 -0.016 3.631 + 1719TIP3 H257889 0.078 0.037 3.548 + 1719TIP3 OH257890 0.715 -0.303 4.282 + 1719TIP3 H157891 0.673 -0.281 4.366 + 1719TIP3 H257892 0.641 -0.303 4.219 + 1719TIP3 OH257893 -0.053 0.105 3.401 + 1719TIP3 H157894 -0.112 0.074 3.331 + 1719TIP3 H257895 0.028 0.125 3.350 + 1719TIP3 OH257896 0.352 0.085 4.192 + 1719TIP3 H157897 0.406 0.060 4.116 + 1719TIP3 H257898 0.368 0.010 4.252 + 1719TIP3 OH257899 -0.090 -0.282 3.789 + 1719TIP3 H157900 -0.140 -0.363 3.800 + 1719TIP3 H257901 -0.009 -0.313 3.746 + 1719TIP3 OH257902 0.281 0.571 3.584 + 1719TIP3 H157903 0.213 0.513 3.543 + 1719TIP3 H257904 0.278 0.545 3.677 + 1719TIP3 OH257905 0.709 -0.157 3.362 + 1719TIP3 H157906 0.611 -0.156 3.356 + 1719TIP3 H257907 0.729 -0.082 3.421 + 1720TIP3 OH257908 0.776 0.029 3.566 + 1720TIP3 H157909 0.864 0.011 3.605 + 1720TIP3 H257910 0.790 0.115 3.524 + 1720TIP3 OH257911 0.535 0.698 3.475 + 1720TIP3 H157912 0.509 0.786 3.510 + 1720TIP3 H257913 0.458 0.645 3.500 + 1720TIP3 OH257914 1.235 0.025 3.539 + 1720TIP3 H157915 1.180 0.007 3.461 + 1720TIP3 H257916 1.249 0.122 3.526 + 1720TIP3 OH257917 1.054 0.887 3.547 + 1720TIP3 H157918 1.036 0.810 3.603 + 1720TIP3 H257919 1.112 0.851 3.478 + 1720TIP3 OH257920 0.779 0.451 4.236 + 1720TIP3 H157921 0.699 0.413 4.278 + 1720TIP3 H257922 0.820 0.372 4.196 + 1720TIP3 OH257923 0.043 0.830 3.886 + 1720TIP3 H157924 0.090 0.914 3.871 + 1720TIP3 H257925 -0.046 0.854 3.861 + 1720TIP3 OH257926 -0.356 0.310 3.350 + 1720TIP3 H157927 -0.296 0.374 3.392 + 1720TIP3 H257928 -0.442 0.339 3.384 + 1720TIP3 OH257929 0.193 0.575 3.905 + 1720TIP3 H157930 0.197 0.666 3.872 + 1720TIP3 H257931 0.110 0.544 3.869 + 1720TIP3 OH257932 0.089 1.118 3.816 + 1720TIP3 H157933 -0.006 1.136 3.817 + 1720TIP3 H257934 0.125 1.206 3.839 + 1720TIP3 OH257935 0.802 0.730 3.336 + 1720TIP3 H157936 0.845 0.685 3.411 + 1720TIP3 H257937 0.710 0.715 3.362 + 1721TIP3 OH257938 1.276 1.156 3.390 + 1721TIP3 H157939 1.346 1.220 3.369 + 1721TIP3 H257940 1.199 1.216 3.389 + 1721TIP3 OH257941 0.899 0.593 3.578 + 1721TIP3 H157942 0.878 0.515 3.631 + 1721TIP3 H257943 0.997 0.591 3.581 + 1721TIP3 OH257944 0.225 0.836 3.193 + 1721TIP3 H157945 0.257 0.758 3.143 + 1721TIP3 H257946 0.185 0.794 3.270 + 1721TIP3 OH257947 0.107 0.788 3.471 + 1721TIP3 H157948 0.167 0.736 3.527 + 1721TIP3 H257949 0.128 0.880 3.497 + 1721TIP3 OH257950 -0.203 0.529 3.507 + 1721TIP3 H157951 -0.277 0.568 3.557 + 1721TIP3 H257952 -0.159 0.609 3.474 + 1721TIP3 OH257953 0.622 -0.276 3.632 + 1721TIP3 H157954 0.646 -0.226 3.553 + 1721TIP3 H257955 0.671 -0.229 3.702 + 1721TIP3 OH257956 0.405 0.948 3.530 + 1721TIP3 H157957 0.324 1.001 3.543 + 1721TIP3 H257958 0.444 0.993 3.453 + 1721TIP3 OH257959 0.362 -0.077 3.725 + 1721TIP3 H157960 0.442 -0.023 3.739 + 1721TIP3 H257961 0.336 -0.098 3.816 + 1721TIP3 OH257962 0.420 -0.377 3.816 + 1721TIP3 H157963 0.413 -0.318 3.892 + 1721TIP3 H257964 0.499 -0.341 3.772 + 1721TIP3 OH257965 0.131 1.063 3.525 + 1721TIP3 H157966 0.120 1.141 3.467 + 1721TIP3 H257967 0.116 1.100 3.614 + 1722TIP3 OH257968 -0.003 -0.277 3.477 + 1722TIP3 H157969 -0.000 -0.200 3.536 + 1722TIP3 H257970 0.079 -0.324 3.502 + 1722TIP3 OH257971 0.870 0.202 4.143 + 1722TIP3 H157972 0.798 0.149 4.104 + 1722TIP3 H257973 0.931 0.131 4.174 + 1722TIP3 OH257974 -0.164 0.807 3.382 + 1722TIP3 H157975 -0.092 0.860 3.420 + 1722TIP3 H257976 -0.114 0.760 3.313 + 1722TIP3 OH257977 -0.349 0.030 3.295 + 1722TIP3 H157978 -0.335 0.124 3.315 + 1722TIP3 H257979 -0.435 0.031 3.253 + 1722TIP3 OH257980 1.163 1.413 4.376 + 1722TIP3 H157981 1.138 1.483 4.314 + 1722TIP3 H257982 1.120 1.338 4.329 + 1722TIP3 OH257983 -0.260 -0.469 4.172 + 1722TIP3 H157984 -0.273 -0.469 4.075 + 1722TIP3 H257985 -0.293 -0.557 4.198 + 1722TIP3 OH257986 -0.368 0.878 3.796 + 1722TIP3 H157987 -0.442 0.933 3.825 + 1722TIP3 H257988 -0.327 0.934 3.729 + 1722TIP3 OH257989 0.449 1.002 3.252 + 1722TIP3 H157990 0.374 0.943 3.231 + 1722TIP3 H257991 0.518 0.962 3.197 + 1722TIP3 OH257992 0.912 0.996 3.256 + 1722TIP3 H157993 0.927 0.915 3.306 + 1722TIP3 H257994 0.990 0.999 3.198 + 1722TIP3 OH257995 -0.010 0.578 3.228 + 1722TIP3 H157996 0.008 0.517 3.301 + 1722TIP3 H257997 0.076 0.576 3.181 + 1723TIP3 OH257998 0.511 0.709 3.188 + 1723TIP3 H157999 0.512 0.708 3.285 + 1723TIP3 H258000 0.510 0.613 3.169 + 1723TIP3 OH258001 0.102 0.384 3.469 + 1723TIP3 H158002 0.043 0.328 3.520 + 1723TIP3 H258003 0.132 0.322 3.400 + 1723TIP3 OH258004 0.195 0.192 3.289 + 1723TIP3 H158005 0.191 0.195 3.191 + 1723TIP3 H258006 0.291 0.184 3.304 + 1723TIP3 OH258007 1.146 0.439 3.220 + 1723TIP3 H158008 1.137 0.397 3.133 + 1723TIP3 H258009 1.136 0.534 3.195 + 1723TIP3 OH258010 0.174 1.336 3.363 + 1723TIP3 H158011 0.268 1.331 3.386 + 1723TIP3 H258012 0.182 1.379 3.275 + 1723TIP3 OH258013 -0.438 0.750 3.351 + 1723TIP3 H158014 -0.343 0.771 3.364 + 1723TIP3 H258015 -0.433 0.673 3.291 + 1723TIP3 OH258016 -0.579 1.311 3.867 + 1723TIP3 H158017 -0.626 1.266 3.795 + 1723TIP3 H258018 -0.557 1.237 3.927 + 1723TIP3 OH258019 -0.491 1.074 4.016 + 1723TIP3 H158020 -0.525 0.990 4.050 + 1723TIP3 H258021 -0.458 1.114 4.099 + 1723TIP3 OH258022 1.262 1.170 4.272 + 1723TIP3 H158023 1.252 1.172 4.368 + 1723TIP3 H258024 1.351 1.207 4.263 + 1723TIP3 OH258025 1.184 0.578 3.614 + 1723TIP3 H158026 1.276 0.609 3.629 + 1723TIP3 H258027 1.176 0.513 3.686 + 1724TIP3 OH258028 1.234 0.373 3.812 + 1724TIP3 H158029 1.166 0.317 3.854 + 1724TIP3 H258030 1.302 0.381 3.882 + 1724TIP3 OH258031 1.209 0.602 4.329 + 1724TIP3 H158032 1.271 0.550 4.277 + 1724TIP3 H258033 1.218 0.690 4.291 + 1724TIP3 OH258034 1.256 0.316 3.469 + 1724TIP3 H158035 1.206 0.346 3.391 + 1724TIP3 H258036 1.245 0.391 3.529 + 1724TIP3 OH258037 1.082 0.074 3.295 + 1724TIP3 H158038 1.110 0.132 3.223 + 1724TIP3 H258039 1.060 -0.009 3.248 + 1724TIP3 OH258040 1.025 0.181 3.896 + 1724TIP3 H158041 1.020 0.085 3.882 + 1724TIP3 H258042 0.990 0.191 3.986 + 1724TIP3 OH258043 -0.489 0.384 4.262 + 1724TIP3 H158044 -0.450 0.396 4.174 + 1724TIP3 H258045 -0.413 0.368 4.320 + 1724TIP3 OH258046 1.031 -0.192 3.216 + 1724TIP3 H158047 1.090 -0.242 3.275 + 1724TIP3 H258048 0.951 -0.247 3.210 + 1724TIP3 OH258049 1.010 -0.065 3.710 + 1724TIP3 H158050 1.036 -0.159 3.716 + 1724TIP3 H258051 1.091 -0.028 3.670 + 1724TIP3 OH258052 1.036 0.011 4.222 + 1724TIP3 H158053 1.131 -0.002 4.235 + 1724TIP3 H258054 0.999 -0.027 4.304 + 1724TIP3 OH258055 1.059 -0.343 3.707 + 1724TIP3 H158056 1.072 -0.376 3.797 + 1724TIP3 H258057 0.979 -0.393 3.680 + 1725TIP3 OH258058 -0.415 -0.212 4.192 + 1725TIP3 H158059 -0.389 -0.305 4.203 + 1725TIP3 H258060 -0.358 -0.171 4.259 + 1725TIP3 OH258061 -0.576 0.072 4.303 + 1725TIP3 H158062 -0.535 0.035 4.223 + 1725TIP3 H258063 -0.549 0.165 4.298 + 1725TIP3 OH258064 1.255 -0.295 3.373 + 1725TIP3 H158065 1.288 -0.376 3.329 + 1725TIP3 H258066 1.336 -0.244 3.385 + 1725TIP3 OH258067 -0.522 -0.328 3.696 + 1725TIP3 H158068 -0.616 -0.318 3.672 + 1725TIP3 H258069 -0.478 -0.268 3.633 + 1725TIP3 OH258070 0.940 1.207 3.899 + 1725TIP3 H158071 0.993 1.180 3.821 + 1725TIP3 H258072 1.008 1.233 3.962 + 1725TIP3 OH258073 -0.342 1.132 4.252 + 1725TIP3 H158074 -0.330 1.097 4.340 + 1725TIP3 H258075 -0.257 1.110 4.208 + 1725TIP3 OH258076 -0.132 1.014 4.121 + 1725TIP3 H158077 -0.138 0.920 4.143 + 1725TIP3 H258078 -0.040 1.037 4.147 + 1725TIP3 OH258079 0.129 1.066 4.214 + 1725TIP3 H158080 0.177 0.987 4.187 + 1725TIP3 H258081 0.145 1.068 4.309 + 1725TIP3 OH258082 0.469 -0.333 4.123 + 1725TIP3 H158083 0.412 -0.407 4.153 + 1725TIP3 H258084 0.540 -0.381 4.076 + 1725TIP3 OH258085 0.964 -0.457 4.147 + 1725TIP3 H158086 1.049 -0.500 4.131 + 1725TIP3 H258087 0.899 -0.524 4.126 + 1726TIP3 OH258088 1.183 -0.430 3.954 + 1726TIP3 H158089 1.258 -0.468 3.906 + 1726TIP3 H258090 1.213 -0.338 3.971 + 1726TIP3 OH258091 -0.287 -0.486 3.889 + 1726TIP3 H158092 -0.368 -0.495 3.836 + 1726TIP3 H258093 -0.243 -0.569 3.870 + 1726TIP3 OH258094 -0.397 -0.525 3.479 + 1726TIP3 H158095 -0.348 -0.456 3.430 + 1726TIP3 H258096 -0.440 -0.472 3.549 + 1726TIP3 OH258097 0.157 -0.493 3.894 + 1726TIP3 H158098 0.245 -0.460 3.869 + 1726TIP3 H258099 0.169 -0.506 3.989 + 1726TIP3 OH258100 0.687 -0.478 3.997 + 1726TIP3 H158101 0.743 -0.501 3.922 + 1726TIP3 H258102 0.674 -0.563 4.041 + 1726TIP3 OH258103 0.826 -0.483 3.618 + 1726TIP3 H158104 0.744 -0.434 3.601 + 1726TIP3 H258105 0.791 -0.574 3.629 + 1726TIP3 OH258106 -0.398 1.075 3.589 + 1726TIP3 H158107 -0.462 1.064 3.517 + 1726TIP3 H258108 -0.395 1.172 3.595 + 1726TIP3 OH258109 -0.237 -0.340 3.321 + 1726TIP3 H158110 -0.176 -0.394 3.267 + 1726TIP3 H258111 -0.177 -0.306 3.390 + 1726TIP3 OH258112 0.267 -0.319 3.586 + 1726TIP3 H158113 0.310 -0.377 3.652 + 1726TIP3 H258114 0.294 -0.233 3.621 + 1726TIP3 OH258115 0.475 1.254 3.410 + 1726TIP3 H158116 0.572 1.258 3.401 + 1726TIP3 H258117 0.454 1.196 3.335 + 1727TIP3 OH258118 1.126 1.161 3.664 + 1727TIP3 H158119 1.103 1.076 3.620 + 1727TIP3 H258120 1.125 1.221 3.588 + 1727TIP3 OH258121 -0.252 1.162 3.274 + 1727TIP3 H158122 -0.264 1.195 3.364 + 1727TIP3 H258123 -0.167 1.114 3.281 + 1727TIP3 OH258124 2.491 0.404 3.918 + 1727TIP3 H158125 2.494 0.501 3.929 + 1727TIP3 H258126 2.414 0.393 3.862 + 1727TIP3 OH258127 2.393 0.340 4.246 + 1727TIP3 H158128 2.380 0.266 4.307 + 1727TIP3 H258129 2.371 0.300 4.161 + 1727TIP3 OH258130 2.747 0.617 4.043 + 1727TIP3 H158131 2.707 0.552 4.103 + 1727TIP3 H258132 2.780 0.680 4.112 + 1727TIP3 OH258133 1.695 0.760 4.250 + 1727TIP3 H158134 1.674 0.670 4.220 + 1727TIP3 H258135 1.793 0.750 4.254 + 1727TIP3 OH258136 1.393 0.111 3.778 + 1727TIP3 H158137 1.355 0.200 3.787 + 1727TIP3 H258138 1.321 0.062 3.737 + 1727TIP3 OH258139 1.469 0.348 3.975 + 1727TIP3 H158140 1.493 0.269 4.028 + 1727TIP3 H258141 1.553 0.368 3.932 + 1727TIP3 OH258142 2.423 1.117 4.115 + 1727TIP3 H158143 2.515 1.116 4.084 + 1727TIP3 H258144 2.434 1.128 4.210 + 1727TIP3 OH258145 2.192 0.570 4.284 + 1727TIP3 H158146 2.232 0.507 4.222 + 1727TIP3 H258147 2.273 0.608 4.322 + 1728TIP3 OH258148 2.539 0.044 4.322 + 1728TIP3 H158149 2.582 -0.041 4.339 + 1728TIP3 H258150 2.545 0.052 4.225 + 1728TIP3 OH258151 1.849 -0.168 4.043 + 1728TIP3 H158152 1.868 -0.083 3.998 + 1728TIP3 H258153 1.818 -0.220 3.967 + 1728TIP3 OH258154 2.639 -0.147 3.866 + 1728TIP3 H158155 2.692 -0.187 3.939 + 1728TIP3 H258156 2.710 -0.104 3.816 + 1728TIP3 OH258157 1.543 0.095 4.102 + 1728TIP3 H158158 1.597 0.034 4.153 + 1728TIP3 H258159 1.549 0.054 4.013 + 1728TIP3 OH258160 2.061 0.239 4.066 + 1728TIP3 H158161 2.130 0.174 4.085 + 1728TIP3 H258162 2.010 0.194 3.995 + 1728TIP3 OH258163 2.498 0.702 3.778 + 1728TIP3 H158164 2.429 0.655 3.729 + 1728TIP3 H258165 2.447 0.779 3.810 + 1728TIP3 OH258166 2.814 -0.207 4.067 + 1728TIP3 H158167 2.812 -0.297 4.107 + 1728TIP3 H258168 2.866 -0.161 4.136 + 1728TIP3 OH258169 1.772 -0.077 4.297 + 1728TIP3 H158170 1.765 0.016 4.275 + 1728TIP3 H258171 1.774 -0.120 4.209 + 1728TIP3 OH258172 1.459 0.660 3.628 + 1728TIP3 H158173 1.443 0.710 3.546 + 1728TIP3 H258174 1.478 0.729 3.694 + 1728TIP3 OH258175 2.821 0.757 4.257 + 1728TIP3 H158176 2.749 0.750 4.324 + 1728TIP3 H258177 2.857 0.843 4.278 + 1729TIP3 OH258178 2.147 -0.530 4.178 + 1729TIP3 H158179 2.143 -0.627 4.182 + 1729TIP3 H258180 2.063 -0.505 4.223 + 1729TIP3 OH258181 2.653 0.992 3.978 + 1729TIP3 H158182 2.691 0.918 3.927 + 1729TIP3 H258183 2.695 1.070 3.939 + 1729TIP3 OH258184 2.791 0.774 3.813 + 1729TIP3 H158185 2.716 0.739 3.762 + 1729TIP3 H258186 2.782 0.721 3.894 + 1729TIP3 OH258187 2.349 0.351 3.626 + 1729TIP3 H158188 2.279 0.420 3.621 + 1729TIP3 H258189 2.411 0.380 3.558 + 1729TIP3 OH258190 2.390 0.177 3.342 + 1729TIP3 H158191 2.454 0.206 3.409 + 1729TIP3 H258192 2.445 0.117 3.289 + 1729TIP3 OH258193 2.712 0.357 3.750 + 1729TIP3 H158194 2.643 0.380 3.816 + 1729TIP3 H258195 2.769 0.299 3.802 + 1729TIP3 OH258196 1.855 0.432 3.947 + 1729TIP3 H158197 1.848 0.422 3.851 + 1729TIP3 H258198 1.948 0.412 3.961 + 1729TIP3 OH258199 1.969 0.735 4.169 + 1729TIP3 H158200 1.973 0.735 4.072 + 1729TIP3 H258201 2.063 0.739 4.194 + 1729TIP3 OH258202 1.890 0.315 4.274 + 1729TIP3 H158203 1.952 0.306 4.199 + 1729TIP3 H258204 1.947 0.354 4.342 + 1729TIP3 OH258205 2.612 0.297 3.493 + 1729TIP3 H158206 2.649 0.330 3.577 + 1729TIP3 H258207 2.659 0.355 3.428 + 1730TIP3 OH258208 2.371 0.976 3.856 + 1730TIP3 H158209 2.394 1.005 3.946 + 1730TIP3 H258210 2.301 1.038 3.832 + 1730TIP3 OH258211 2.950 -0.523 3.440 + 1730TIP3 H158212 2.864 -0.516 3.485 + 1730TIP3 H258213 2.986 -0.433 3.452 + 1730TIP3 OH258214 1.767 0.305 3.681 + 1730TIP3 H158215 1.755 0.382 3.623 + 1730TIP3 H258216 1.699 0.245 3.649 + 1730TIP3 OH258217 3.092 0.891 3.291 + 1730TIP3 H158218 3.105 0.982 3.321 + 1730TIP3 H258219 3.176 0.849 3.317 + 1730TIP3 OH258220 1.382 0.850 4.247 + 1730TIP3 H158221 1.479 0.846 4.243 + 1730TIP3 H258222 1.367 0.940 4.279 + 1730TIP3 OH258223 2.282 1.269 3.701 + 1730TIP3 H158224 2.313 1.255 3.611 + 1730TIP3 H258225 2.342 1.336 3.738 + 1730TIP3 OH258226 1.684 1.151 3.865 + 1730TIP3 H158227 1.706 1.100 3.945 + 1730TIP3 H258228 1.605 1.105 3.835 + 1730TIP3 OH258229 2.635 1.174 3.411 + 1730TIP3 H158230 2.692 1.105 3.373 + 1730TIP3 H258231 2.629 1.145 3.505 + 1730TIP3 OH258232 2.579 1.120 3.697 + 1730TIP3 H158233 2.487 1.140 3.718 + 1730TIP3 H258234 2.588 1.042 3.753 + 1730TIP3 OH258235 1.903 -0.440 4.292 + 1730TIP3 H158236 1.820 -0.450 4.242 + 1730TIP3 H258237 1.909 -0.344 4.306 + 1731TIP3 OH258238 2.762 0.411 3.293 + 1731TIP3 H158239 2.745 0.389 3.200 + 1731TIP3 H258240 2.856 0.433 3.292 + 1731TIP3 OH258241 2.329 -0.214 3.345 + 1731TIP3 H158242 2.278 -0.224 3.427 + 1731TIP3 H258243 2.286 -0.282 3.290 + 1731TIP3 OH258244 1.893 0.058 3.886 + 1731TIP3 H158245 1.797 0.060 3.868 + 1731TIP3 H258246 1.927 0.045 3.796 + 1731TIP3 OH258247 2.446 0.130 3.760 + 1731TIP3 H158248 2.403 0.210 3.721 + 1731TIP3 H258249 2.513 0.111 3.693 + 1731TIP3 OH258250 2.529 0.063 4.040 + 1731TIP3 H158251 2.500 0.118 3.964 + 1731TIP3 H258252 2.551 -0.020 3.992 + 1731TIP3 OH258253 1.970 -0.171 3.233 + 1731TIP3 H158254 1.936 -0.202 3.319 + 1731TIP3 H258255 1.889 -0.156 3.183 + 1731TIP3 OH258256 1.316 -0.180 3.944 + 1731TIP3 H158257 1.374 -0.183 4.022 + 1731TIP3 H258258 1.369 -0.219 3.874 + 1731TIP3 OH258259 1.472 -0.139 3.512 + 1731TIP3 H158260 1.529 -0.090 3.449 + 1731TIP3 H258261 1.404 -0.072 3.532 + 1731TIP3 OH258262 2.159 -0.172 3.984 + 1731TIP3 H158263 2.066 -0.182 4.008 + 1731TIP3 H258264 2.205 -0.201 4.065 + 1731TIP3 OH258265 1.618 -0.056 3.857 + 1731TIP3 H158266 1.541 -0.025 3.807 + 1731TIP3 H258267 1.651 -0.131 3.804 + 1732TIP3 OH258268 1.988 -0.024 3.617 + 1732TIP3 H158269 2.084 -0.010 3.626 + 1732TIP3 H258270 1.960 0.041 3.551 + 1732TIP3 OH258271 2.601 -0.309 4.283 + 1732TIP3 H158272 2.563 -0.276 4.365 + 1732TIP3 H258273 2.528 -0.305 4.220 + 1732TIP3 OH258274 1.831 0.099 3.399 + 1732TIP3 H158275 1.774 0.076 3.325 + 1732TIP3 H258276 1.911 0.129 3.353 + 1732TIP3 OH258277 2.257 0.063 4.192 + 1732TIP3 H158278 2.327 0.031 4.134 + 1732TIP3 H258279 2.261 -0.001 4.264 + 1732TIP3 OH258280 1.799 -0.280 3.786 + 1732TIP3 H158281 1.744 -0.360 3.799 + 1732TIP3 H258282 1.879 -0.317 3.746 + 1732TIP3 OH258283 2.596 -0.148 3.353 + 1732TIP3 H158284 2.498 -0.157 3.356 + 1732TIP3 H258285 2.614 -0.082 3.424 + 1732TIP3 OH258286 2.662 0.026 3.561 + 1732TIP3 H158287 2.749 0.012 3.605 + 1732TIP3 H258288 2.671 0.117 3.527 + 1732TIP3 OH258289 1.685 0.474 4.169 + 1732TIP3 H158290 1.741 0.479 4.089 + 1732TIP3 H258291 1.734 0.404 4.217 + 1732TIP3 OH258292 2.389 0.687 3.470 + 1732TIP3 H158293 2.384 0.769 3.523 + 1732TIP3 H258294 2.319 0.638 3.517 + 1732TIP3 OH258295 3.124 0.024 3.537 + 1732TIP3 H158296 3.065 0.005 3.462 + 1732TIP3 H258297 3.134 0.120 3.526 + 1733TIP3 OH258298 2.942 0.889 3.546 + 1733TIP3 H158299 2.912 0.818 3.605 + 1733TIP3 H258300 2.998 0.842 3.482 + 1733TIP3 OH258301 2.656 0.435 4.251 + 1733TIP3 H158302 2.564 0.406 4.265 + 1733TIP3 H258303 2.693 0.360 4.201 + 1733TIP3 OH258304 1.910 0.846 3.918 + 1733TIP3 H158305 1.988 0.876 3.869 + 1733TIP3 H258306 1.843 0.842 3.849 + 1733TIP3 OH258307 1.529 0.310 3.349 + 1733TIP3 H158308 1.589 0.375 3.390 + 1733TIP3 H258309 1.443 0.338 3.385 + 1733TIP3 OH258310 1.979 1.124 3.804 + 1733TIP3 H158311 1.885 1.132 3.824 + 1733TIP3 H258312 2.015 1.209 3.833 + 1733TIP3 OH258313 2.682 0.730 3.340 + 1733TIP3 H158314 2.722 0.683 3.416 + 1733TIP3 H258315 2.589 0.713 3.360 + 1733TIP3 OH258316 3.165 1.154 3.386 + 1733TIP3 H158317 3.231 1.222 3.367 + 1733TIP3 H258318 3.087 1.212 3.396 + 1733TIP3 OH258319 2.785 0.586 3.565 + 1733TIP3 H158320 2.752 0.523 3.632 + 1733TIP3 H258321 2.879 0.592 3.589 + 1733TIP3 OH258322 2.115 0.833 3.186 + 1733TIP3 H158323 2.143 0.751 3.141 + 1733TIP3 H258324 2.076 0.796 3.268 + 1733TIP3 OH258325 2.019 0.775 3.460 + 1733TIP3 H158326 2.053 0.718 3.532 + 1733TIP3 H258327 2.022 0.863 3.502 + 1734TIP3 OH258328 1.676 0.529 3.499 + 1734TIP3 H158329 1.608 0.569 3.558 + 1734TIP3 H258330 1.732 0.605 3.480 + 1734TIP3 OH258331 2.515 -0.281 3.632 + 1734TIP3 H158332 2.527 -0.222 3.556 + 1734TIP3 H258333 2.554 -0.230 3.705 + 1734TIP3 OH258334 2.304 0.970 3.534 + 1734TIP3 H158335 2.211 0.994 3.546 + 1734TIP3 H258336 2.322 0.998 3.444 + 1734TIP3 OH258337 2.256 -0.079 3.727 + 1734TIP3 H158338 2.327 -0.014 3.744 + 1734TIP3 H258339 2.223 -0.097 3.817 + 1734TIP3 OH258340 2.306 -0.378 3.818 + 1734TIP3 H158341 2.294 -0.315 3.891 + 1734TIP3 H258342 2.383 -0.340 3.773 + 1734TIP3 OH258343 2.005 1.053 3.527 + 1734TIP3 H158344 2.003 1.137 3.477 + 1734TIP3 H258345 2.000 1.084 3.619 + 1734TIP3 OH258346 1.884 -0.276 3.474 + 1734TIP3 H158347 1.886 -0.199 3.534 + 1734TIP3 H258348 1.965 -0.323 3.502 + 1734TIP3 OH258349 2.760 0.202 4.135 + 1734TIP3 H158350 2.681 0.153 4.107 + 1734TIP3 H258351 2.816 0.130 4.172 + 1734TIP3 OH258352 1.729 0.813 3.383 + 1734TIP3 H158353 1.802 0.864 3.422 + 1734TIP3 H258354 1.779 0.758 3.321 + 1734TIP3 OH258355 1.539 0.030 3.291 + 1734TIP3 H158356 1.552 0.123 3.316 + 1734TIP3 H258357 1.451 0.031 3.253 + 1735TIP3 OH258358 2.897 1.172 4.329 + 1735TIP3 H158359 2.844 1.222 4.263 + 1735TIP3 H258360 2.977 1.152 4.279 + 1735TIP3 OH258361 1.627 -0.470 4.172 + 1735TIP3 H158362 1.612 -0.466 4.075 + 1735TIP3 H258363 1.592 -0.557 4.195 + 1735TIP3 OH258364 1.516 0.879 3.799 + 1735TIP3 H158365 1.441 0.936 3.821 + 1735TIP3 H258366 1.560 0.931 3.730 + 1735TIP3 OH258367 2.333 1.004 3.241 + 1735TIP3 H158368 2.255 0.945 3.235 + 1735TIP3 H258369 2.402 0.943 3.213 + 1735TIP3 OH258370 2.798 0.992 3.249 + 1735TIP3 H158371 2.809 0.915 3.308 + 1735TIP3 H258372 2.882 0.994 3.202 + 1735TIP3 OH258373 1.877 0.575 3.229 + 1735TIP3 H158374 1.894 0.519 3.308 + 1735TIP3 H258375 1.965 0.573 3.189 + 1735TIP3 OH258376 2.405 0.713 3.192 + 1735TIP3 H158377 2.387 0.705 3.289 + 1735TIP3 H258378 2.394 0.619 3.167 + 1735TIP3 OH258379 1.972 0.394 3.434 + 1735TIP3 H158380 1.954 0.365 3.524 + 1735TIP3 H258381 2.017 0.317 3.396 + 1735TIP3 OH258382 2.082 0.182 3.288 + 1735TIP3 H158383 2.076 0.196 3.192 + 1735TIP3 H258384 2.178 0.184 3.303 + 1735TIP3 OH258385 3.034 0.441 3.220 + 1735TIP3 H158386 3.019 0.397 3.135 + 1735TIP3 H258387 3.019 0.535 3.197 + 1736TIP3 OH258388 2.056 1.312 3.395 + 1736TIP3 H158389 2.151 1.324 3.413 + 1736TIP3 H258390 2.048 1.357 3.310 + 1736TIP3 OH258391 1.449 0.752 3.348 + 1736TIP3 H158392 1.545 0.767 3.365 + 1736TIP3 H258393 1.451 0.672 3.293 + 1736TIP3 OH258394 1.344 1.272 3.826 + 1736TIP3 H158395 1.275 1.232 3.770 + 1736TIP3 H258396 1.359 1.202 3.893 + 1736TIP3 OH258397 1.391 1.070 4.017 + 1736TIP3 H158398 1.357 0.983 4.044 + 1736TIP3 H258399 1.418 1.104 4.105 + 1736TIP3 OH258400 3.161 1.208 4.269 + 1736TIP3 H158401 3.135 1.196 4.362 + 1736TIP3 H258402 3.257 1.212 4.278 + 1736TIP3 OH258403 3.076 0.576 3.611 + 1736TIP3 H158404 3.166 0.605 3.634 + 1736TIP3 H258405 3.058 0.515 3.684 + 1736TIP3 OH258406 3.126 0.366 3.815 + 1736TIP3 H158407 3.050 0.317 3.854 + 1736TIP3 H258408 3.183 0.383 3.892 + 1736TIP3 OH258409 3.094 0.606 4.336 + 1736TIP3 H158410 3.146 0.554 4.273 + 1736TIP3 H258411 3.076 0.688 4.288 + 1736TIP3 OH258412 3.147 0.320 3.467 + 1736TIP3 H158413 3.092 0.347 3.391 + 1736TIP3 H258414 3.128 0.392 3.529 + 1736TIP3 OH258415 2.968 0.075 3.294 + 1736TIP3 H158416 2.996 0.131 3.220 + 1736TIP3 H258417 2.945 -0.009 3.250 + 1737TIP3 OH258418 2.911 0.186 3.894 + 1737TIP3 H158419 2.904 0.091 3.878 + 1737TIP3 H258420 2.872 0.196 3.983 + 1737TIP3 OH258421 1.396 0.374 4.262 + 1737TIP3 H158422 1.431 0.399 4.175 + 1737TIP3 H258423 1.477 0.371 4.316 + 1737TIP3 OH258424 2.918 -0.192 3.213 + 1737TIP3 H158425 2.976 -0.241 3.275 + 1737TIP3 H258426 2.837 -0.245 3.212 + 1737TIP3 OH258427 2.897 -0.063 3.709 + 1737TIP3 H158428 2.919 -0.159 3.717 + 1737TIP3 H258429 2.980 -0.030 3.670 + 1737TIP3 OH258430 2.922 0.010 4.223 + 1737TIP3 H158431 3.016 -0.001 4.240 + 1737TIP3 H258432 2.882 -0.029 4.304 + 1737TIP3 OH258433 2.945 -0.343 3.706 + 1737TIP3 H158434 2.959 -0.377 3.796 + 1737TIP3 H258435 2.865 -0.393 3.679 + 1737TIP3 OH258436 1.467 -0.213 4.194 + 1737TIP3 H158437 1.498 -0.305 4.204 + 1737TIP3 H258438 1.528 -0.168 4.254 + 1737TIP3 OH258439 1.311 0.074 4.303 + 1737TIP3 H158440 1.353 0.037 4.224 + 1737TIP3 H258441 1.339 0.167 4.297 + 1737TIP3 OH258442 3.142 -0.292 3.370 + 1737TIP3 H158443 3.172 -0.378 3.335 + 1737TIP3 H258444 3.226 -0.246 3.385 + 1737TIP3 OH258445 1.367 -0.326 3.691 + 1737TIP3 H158446 1.271 -0.318 3.672 + 1737TIP3 H258447 1.407 -0.263 3.628 + 1738TIP3 OH258448 2.832 1.217 3.891 + 1738TIP3 H158449 2.883 1.173 3.821 + 1738TIP3 H258450 2.897 1.233 3.960 + 1738TIP3 OH258451 1.533 1.110 4.260 + 1738TIP3 H158452 1.567 1.108 4.351 + 1738TIP3 H258453 1.615 1.085 4.212 + 1738TIP3 OH258454 1.751 1.023 4.124 + 1738TIP3 H158455 1.746 0.926 4.132 + 1738TIP3 H258456 1.846 1.037 4.143 + 1738TIP3 OH258457 2.018 1.074 4.213 + 1738TIP3 H158458 2.058 0.996 4.174 + 1738TIP3 H258459 2.035 1.060 4.307 + 1738TIP3 OH258460 2.357 -0.332 4.126 + 1738TIP3 H158461 2.297 -0.405 4.153 + 1738TIP3 H258462 2.425 -0.381 4.076 + 1738TIP3 OH258463 2.851 -0.459 4.153 + 1738TIP3 H158464 2.935 -0.501 4.128 + 1738TIP3 H258465 2.783 -0.520 4.122 + 1738TIP3 OH258466 3.065 -0.427 3.953 + 1738TIP3 H158467 3.142 -0.471 3.912 + 1738TIP3 H258468 3.098 -0.338 3.971 + 1738TIP3 OH258469 1.594 -0.471 3.890 + 1738TIP3 H158470 1.509 -0.484 3.843 + 1738TIP3 H258471 1.638 -0.556 3.873 + 1738TIP3 OH258472 1.476 -0.521 3.477 + 1738TIP3 H158473 1.527 -0.455 3.426 + 1738TIP3 H258474 1.436 -0.466 3.547 + 1738TIP3 OH258475 2.046 -0.495 3.891 + 1738TIP3 H158476 2.133 -0.458 3.871 + 1738TIP3 H258477 2.050 -0.504 3.987 + 1739TIP3 OH258478 2.577 -0.478 3.999 + 1739TIP3 H158479 2.627 -0.502 3.920 + 1739TIP3 H258480 2.559 -0.564 4.040 + 1739TIP3 OH258481 2.713 -0.484 3.615 + 1739TIP3 H158482 2.632 -0.431 3.606 + 1739TIP3 H258483 2.676 -0.573 3.629 + 1739TIP3 OH258484 1.494 1.075 3.594 + 1739TIP3 H158485 1.430 1.063 3.521 + 1739TIP3 H258486 1.494 1.171 3.601 + 1739TIP3 OH258487 1.648 -0.339 3.321 + 1739TIP3 H158488 1.709 -0.394 3.270 + 1739TIP3 H258489 1.707 -0.305 3.391 + 1739TIP3 OH258490 2.157 -0.322 3.583 + 1739TIP3 H158491 2.195 -0.375 3.654 + 1739TIP3 H258492 2.174 -0.233 3.619 + 1739TIP3 OH258493 2.365 1.267 3.397 + 1739TIP3 H158494 2.462 1.259 3.402 + 1739TIP3 H258495 2.343 1.190 3.342 + 1739TIP3 OH258496 3.020 1.158 3.660 + 1739TIP3 H158497 2.989 1.076 3.618 + 1739TIP3 H258498 2.999 1.224 3.592 + 1739TIP3 OH258499 1.639 1.171 3.273 + 1739TIP3 H158500 1.615 1.197 3.363 + 1739TIP3 H258501 1.715 1.112 3.288 + 1739TIP3 OH258502 4.215 0.341 4.222 + 1739TIP3 H158503 4.265 0.302 4.297 + 1739TIP3 H258504 4.235 0.280 4.150 + 1739TIP3 OH258505 3.280 0.123 3.779 + 1739TIP3 H158506 3.228 0.205 3.783 + 1739TIP3 H258507 3.214 0.059 3.749 + 1740TIP3 OH258508 3.372 0.358 3.989 + 1740TIP3 H158509 3.378 0.269 4.029 + 1740TIP3 H258510 3.436 0.350 3.917 + 1740TIP3 OH258511 4.052 0.564 4.251 + 1740TIP3 H158512 4.103 0.489 4.214 + 1740TIP3 H258513 4.126 0.602 4.304 + 1740TIP3 OH258514 3.736 -0.168 4.042 + 1740TIP3 H158515 3.753 -0.085 3.994 + 1740TIP3 H258516 3.706 -0.226 3.969 + 1740TIP3 OH258517 3.438 0.101 4.097 + 1740TIP3 H158518 3.473 0.035 4.157 + 1740TIP3 H258519 3.434 0.051 4.014 + 1740TIP3 OH258520 3.938 0.239 4.057 + 1740TIP3 H158521 4.016 0.185 4.082 + 1740TIP3 H258522 3.895 0.178 3.994 + 1740TIP3 OH258523 3.666 -0.077 4.300 + 1740TIP3 H158524 3.642 0.014 4.279 + 1740TIP3 H258525 3.657 -0.123 4.215 + 1740TIP3 OH258526 3.353 0.660 3.627 + 1740TIP3 H158527 3.324 0.708 3.547 + 1740TIP3 H258528 3.364 0.731 3.693 + 1740TIP3 OH258529 4.043 -0.533 4.187 + 1740TIP3 H158530 4.027 -0.629 4.186 + 1740TIP3 H258531 3.957 -0.500 4.218 + 1740TIP3 OH258532 4.268 0.347 3.634 + 1740TIP3 H158533 4.200 0.412 3.610 + 1740TIP3 H258534 4.332 0.359 3.564 + 1740TIP3 OH258535 4.291 0.192 3.349 + 1740TIP3 H158536 4.365 0.183 3.410 + 1740TIP3 H258537 4.292 0.110 3.300 + 1741TIP3 OH258538 3.763 0.441 3.927 + 1741TIP3 H158539 3.720 0.396 3.851 + 1741TIP3 H258540 3.813 0.367 3.967 + 1741TIP3 OH258541 3.784 0.326 4.274 + 1741TIP3 H158542 3.849 0.300 4.206 + 1741TIP3 H258543 3.839 0.335 4.353 + 1741TIP3 OH258544 4.242 0.958 3.850 + 1741TIP3 H158545 4.299 1.005 3.914 + 1741TIP3 H258546 4.202 1.031 3.803 + 1741TIP3 OH258547 3.648 0.315 3.684 + 1741TIP3 H158548 3.625 0.384 3.620 + 1741TIP3 H258549 3.589 0.242 3.657 + 1741TIP3 OH258550 3.265 0.861 4.225 + 1741TIP3 H158551 3.355 0.850 4.256 + 1741TIP3 H258552 3.230 0.926 4.287 + 1741TIP3 OH258553 4.184 1.233 3.698 + 1741TIP3 H158554 4.205 1.237 3.604 + 1741TIP3 H258555 4.206 1.321 3.731 + 1741TIP3 OH258556 3.575 1.146 3.864 + 1741TIP3 H158557 3.584 1.099 3.949 + 1741TIP3 H258558 3.490 1.110 3.833 + 1741TIP3 OH258559 3.791 -0.437 4.292 + 1741TIP3 H158560 3.710 -0.457 4.243 + 1741TIP3 H258561 3.784 -0.342 4.308 + 1741TIP3 OH258562 4.228 -0.205 3.350 + 1741TIP3 H158563 4.173 -0.229 3.427 + 1741TIP3 H258564 4.202 -0.275 3.289 + 1741TIP3 OH258565 3.776 0.070 3.882 + 1741TIP3 H158566 3.681 0.055 3.868 + 1741TIP3 H258567 3.811 0.043 3.795 + 1742TIP3 OH258568 4.276 0.116 3.838 + 1742TIP3 H158569 4.273 0.207 3.805 + 1742TIP3 H258570 4.369 0.101 3.860 + 1742TIP3 OH258571 3.859 -0.155 3.237 + 1742TIP3 H158572 3.825 -0.198 3.318 + 1742TIP3 H258573 3.782 -0.158 3.178 + 1742TIP3 OH258574 3.214 -0.162 3.940 + 1742TIP3 H158575 3.260 -0.187 4.021 + 1742TIP3 H258576 3.250 -0.222 3.872 + 1742TIP3 OH258577 3.359 -0.138 3.511 + 1742TIP3 H158578 3.414 -0.088 3.447 + 1742TIP3 H258579 3.289 -0.074 3.532 + 1742TIP3 OH258580 4.048 -0.182 3.984 + 1742TIP3 H158581 3.954 -0.198 4.003 + 1742TIP3 H258582 4.087 -0.198 4.072 + 1742TIP3 OH258583 3.515 -0.050 3.848 + 1742TIP3 H158584 3.427 -0.032 3.811 + 1742TIP3 H258585 3.539 -0.135 3.806 + 1742TIP3 OH258586 3.873 -0.020 3.622 + 1742TIP3 H158587 3.970 -0.012 3.626 + 1742TIP3 H258588 3.847 0.039 3.550 + 1742TIP3 OH258589 3.721 0.110 3.398 + 1742TIP3 H158590 3.659 0.074 3.333 + 1742TIP3 H258591 3.803 0.115 3.346 + 1742TIP3 OH258592 4.128 0.059 4.153 + 1742TIP3 H158593 4.188 0.013 4.092 + 1742TIP3 H258594 4.152 0.018 4.238 + 1742TIP3 OH258595 3.676 -0.291 3.784 + 1742TIP3 H158596 3.625 -0.371 3.804 + 1742TIP3 H258597 3.760 -0.329 3.756 + 1743TIP3 OH258598 4.067 0.553 3.584 + 1743TIP3 H158599 3.994 0.499 3.545 + 1743TIP3 H258600 4.053 0.543 3.679 + 1743TIP3 OH258601 3.583 0.507 4.172 + 1743TIP3 H158602 3.610 0.483 4.082 + 1743TIP3 H258603 3.600 0.425 4.220 + 1743TIP3 OH258604 4.287 0.690 3.482 + 1743TIP3 H158605 4.260 0.779 3.512 + 1743TIP3 H258606 4.211 0.637 3.513 + 1743TIP3 OH258607 3.811 0.831 3.930 + 1743TIP3 H158608 3.860 0.909 3.895 + 1743TIP3 H258609 3.728 0.840 3.880 + 1743TIP3 OH258610 3.414 0.310 3.349 + 1743TIP3 H158611 3.471 0.377 3.391 + 1743TIP3 H258612 3.326 0.333 3.388 + 1743TIP3 OH258613 3.989 0.604 3.907 + 1743TIP3 H158614 3.970 0.685 3.857 + 1743TIP3 H258615 3.914 0.545 3.885 + 1743TIP3 OH258616 3.859 1.117 3.813 + 1743TIP3 H158617 3.764 1.136 3.820 + 1743TIP3 H258618 3.897 1.204 3.837 + 1743TIP3 OH258619 3.994 0.838 3.194 + 1743TIP3 H158620 4.029 0.762 3.144 + 1743TIP3 H258621 3.955 0.793 3.271 + 1743TIP3 OH258622 3.882 0.781 3.472 + 1743TIP3 H158623 3.941 0.730 3.530 + 1743TIP3 H258624 3.900 0.874 3.499 + 1743TIP3 OH258625 3.569 0.531 3.506 + 1743TIP3 H158626 3.494 0.568 3.557 + 1743TIP3 H258627 3.612 0.612 3.475 + 1744TIP3 OH258628 4.166 0.946 3.522 + 1744TIP3 H158629 4.088 1.000 3.543 + 1744TIP3 H258630 4.211 1.002 3.458 + 1744TIP3 OH258631 4.138 -0.085 3.727 + 1744TIP3 H158632 4.200 -0.018 3.763 + 1744TIP3 H258633 4.099 -0.114 3.812 + 1744TIP3 OH258634 4.199 -0.384 3.850 + 1744TIP3 H158635 4.164 -0.305 3.896 + 1744TIP3 H258636 4.270 -0.347 3.795 + 1744TIP3 OH258637 3.895 1.054 3.528 + 1744TIP3 H158638 3.891 1.135 3.472 + 1744TIP3 H258639 3.881 1.091 3.617 + 1744TIP3 OH258640 3.769 -0.272 3.468 + 1744TIP3 H158641 3.770 -0.205 3.538 + 1744TIP3 H258642 3.836 -0.336 3.498 + 1744TIP3 OH258643 3.611 0.811 3.381 + 1744TIP3 H158644 3.684 0.860 3.421 + 1744TIP3 H258645 3.660 0.760 3.314 + 1744TIP3 OH258646 3.428 0.033 3.288 + 1744TIP3 H158647 3.434 0.127 3.315 + 1744TIP3 H258648 3.336 0.027 3.258 + 1744TIP3 OH258649 3.503 -0.467 4.165 + 1744TIP3 H158650 3.503 -0.478 4.068 + 1744TIP3 H258651 3.482 -0.557 4.194 + 1744TIP3 OH258652 3.409 0.883 3.799 + 1744TIP3 H158653 3.330 0.930 3.829 + 1744TIP3 H258654 3.438 0.938 3.725 + 1744TIP3 OH258655 4.231 1.003 3.225 + 1744TIP3 H158656 4.148 0.951 3.226 + 1744TIP3 H258657 4.294 0.930 3.212 + 1745TIP3 OH258658 3.763 0.580 3.227 + 1745TIP3 H158659 3.777 0.519 3.301 + 1745TIP3 H258660 3.849 0.574 3.181 + 1745TIP3 OH258661 4.260 0.711 3.183 + 1745TIP3 H158662 4.279 0.721 3.278 + 1745TIP3 H258663 4.245 0.615 3.177 + 1745TIP3 OH258664 3.875 0.384 3.464 + 1745TIP3 H158665 3.807 0.334 3.513 + 1745TIP3 H258666 3.903 0.316 3.399 + 1745TIP3 OH258667 3.980 0.190 3.290 + 1745TIP3 H158668 3.969 0.189 3.194 + 1745TIP3 H258669 4.076 0.197 3.299 + 1745TIP3 OH258670 3.957 1.307 3.398 + 1745TIP3 H158671 4.053 1.316 3.405 + 1745TIP3 H258672 3.940 1.357 3.317 + 1745TIP3 OH258673 3.333 0.752 3.349 + 1745TIP3 H158674 3.429 0.769 3.364 + 1745TIP3 H258675 3.336 0.672 3.293 + 1745TIP3 OH258676 3.239 1.268 3.820 + 1745TIP3 H158677 3.164 1.232 3.767 + 1745TIP3 H258678 3.242 1.203 3.893 + 1745TIP3 OH258679 3.277 1.069 4.019 + 1745TIP3 H158680 3.244 0.983 4.049 + 1745TIP3 H258681 3.294 1.109 4.106 + 1745TIP3 OH258682 3.279 0.375 4.260 + 1745TIP3 H158683 3.319 0.400 4.175 + 1745TIP3 H258684 3.355 0.370 4.320 + 1745TIP3 OH258685 3.355 -0.211 4.192 + 1745TIP3 H158686 3.378 -0.305 4.199 + 1745TIP3 H258687 3.414 -0.174 4.258 + 1746TIP3 OH258688 3.197 0.072 4.304 + 1746TIP3 H158689 3.236 0.033 4.224 + 1746TIP3 H258690 3.223 0.166 4.295 + 1746TIP3 OH258691 3.252 -0.315 3.700 + 1746TIP3 H158692 3.158 -0.320 3.674 + 1746TIP3 H258693 3.292 -0.262 3.628 + 1746TIP3 OH258694 3.417 1.113 4.266 + 1746TIP3 H158695 3.452 1.114 4.357 + 1746TIP3 H258696 3.500 1.092 4.218 + 1746TIP3 OH258697 3.635 1.014 4.128 + 1746TIP3 H158698 3.629 0.919 4.141 + 1746TIP3 H258699 3.728 1.034 4.153 + 1746TIP3 OH258700 3.902 1.063 4.209 + 1746TIP3 H158701 3.951 0.980 4.196 + 1746TIP3 H258702 3.911 1.073 4.305 + 1746TIP3 OH258703 4.268 -0.362 4.132 + 1746TIP3 H158704 4.192 -0.417 4.161 + 1746TIP3 H258705 4.294 -0.409 4.052 + 1746TIP3 OH258706 3.503 -0.512 3.883 + 1746TIP3 H158707 3.415 -0.527 3.843 + 1746TIP3 H258708 3.546 -0.597 3.868 + 1746TIP3 OH258709 3.348 -0.516 3.469 + 1746TIP3 H158710 3.412 -0.456 3.428 + 1746TIP3 H258711 3.325 -0.470 3.551 + 1746TIP3 OH258712 3.930 -0.463 3.887 + 1746TIP3 H158713 4.026 -0.470 3.876 + 1746TIP3 H258714 3.913 -0.530 3.953 + 1746TIP3 OH258715 3.383 1.074 3.592 + 1746TIP3 H158716 3.316 1.062 3.523 + 1746TIP3 H258717 3.376 1.170 3.605 + 1747TIP3 OH258718 3.535 -0.333 3.317 + 1747TIP3 H158719 3.591 -0.398 3.271 + 1747TIP3 H258720 3.595 -0.305 3.389 + 1747TIP3 OH258721 4.084 -0.319 3.576 + 1747TIP3 H158722 4.058 -0.389 3.638 + 1747TIP3 H258723 4.053 -0.239 3.621 + 1747TIP3 OH258724 4.263 1.239 3.403 + 1747TIP3 H158725 4.351 1.277 3.385 + 1747TIP3 H258726 4.249 1.180 3.326 + 1747TIP3 OH258727 3.525 1.172 3.272 + 1747TIP3 H158728 3.496 1.196 3.361 + 1747TIP3 H258729 3.600 1.113 3.289 + 1747TIP3 OH258730 -3.173 2.287 3.928 + 1747TIP3 H158731 -3.161 2.384 3.931 + 1747TIP3 H258732 -3.236 2.278 3.856 + 1747TIP3 OH258733 -3.272 2.227 4.247 + 1747TIP3 H158734 -3.276 2.150 4.306 + 1747TIP3 H258735 -3.279 2.188 4.159 + 1747TIP3 OH258736 -2.918 2.504 4.039 + 1747TIP3 H158737 -2.954 2.436 4.097 + 1747TIP3 H258738 -2.880 2.563 4.108 + 1747TIP3 OH258739 -3.953 2.652 4.247 + 1747TIP3 H158740 -3.988 2.565 4.225 + 1747TIP3 H258741 -3.857 2.631 4.249 + 1747TIP3 OH258742 -4.223 2.027 3.647 + 1747TIP3 H158743 -4.239 2.106 3.702 + 1747TIP3 H258744 -4.306 1.980 3.661 + 1747TIP3 OH258745 -4.194 2.207 3.932 + 1747TIP3 H158746 -4.194 2.180 4.025 + 1747TIP3 H258747 -4.120 2.270 3.932 + 1748TIP3 OH258748 -3.208 3.044 4.112 + 1748TIP3 H158749 -3.146 2.975 4.084 + 1748TIP3 H258750 -3.236 3.014 4.200 + 1748TIP3 OH258751 -3.467 2.454 4.280 + 1748TIP3 H158752 -3.422 2.389 4.223 + 1748TIP3 H258753 -3.386 2.493 4.321 + 1748TIP3 OH258754 -3.121 1.928 4.323 + 1748TIP3 H158755 -3.074 1.844 4.339 + 1748TIP3 H258756 -3.110 1.940 4.227 + 1748TIP3 OH258757 -3.808 1.717 4.042 + 1748TIP3 H158758 -3.789 1.802 3.997 + 1748TIP3 H258759 -3.841 1.665 3.966 + 1748TIP3 OH258760 -3.018 1.737 3.872 + 1748TIP3 H158761 -2.963 1.693 3.940 + 1748TIP3 H258762 -2.949 1.779 3.817 + 1748TIP3 OH258763 -4.122 1.980 4.109 + 1748TIP3 H158764 -4.073 1.922 4.168 + 1748TIP3 H258765 -4.107 1.937 4.023 + 1748TIP3 OH258766 -3.602 2.126 4.055 + 1748TIP3 H158767 -3.526 2.071 4.083 + 1748TIP3 H258768 -3.647 2.066 3.992 + 1748TIP3 OH258769 -3.174 2.573 3.794 + 1748TIP3 H158770 -3.201 2.554 3.704 + 1748TIP3 H258771 -3.215 2.659 3.811 + 1748TIP3 OH258772 -2.838 1.658 4.073 + 1748TIP3 H158773 -2.856 1.591 4.141 + 1748TIP3 H258774 -2.784 1.719 4.126 + 1748TIP3 OH258775 -3.877 1.810 4.297 + 1748TIP3 H158776 -3.898 1.902 4.279 + 1748TIP3 H258777 -3.886 1.766 4.210 + 1749TIP3 OH258778 -4.183 2.534 3.630 + 1749TIP3 H158779 -4.263 2.556 3.579 + 1749TIP3 H258780 -4.187 2.599 3.703 + 1749TIP3 OH258781 -2.841 2.635 4.259 + 1749TIP3 H158782 -2.904 2.624 4.332 + 1749TIP3 H258783 -2.772 2.689 4.300 + 1749TIP3 OH258784 -3.510 1.355 4.178 + 1749TIP3 H158785 -3.515 1.258 4.182 + 1749TIP3 H258786 -3.593 1.380 4.222 + 1749TIP3 OH258787 -3.019 2.884 3.965 + 1749TIP3 H158788 -2.973 2.804 3.934 + 1749TIP3 H258789 -2.952 2.953 3.945 + 1749TIP3 OH258790 -2.878 2.673 3.822 + 1749TIP3 H158791 -2.922 2.621 3.754 + 1749TIP3 H258792 -2.880 2.609 3.897 + 1749TIP3 OH258793 -3.297 2.241 3.641 + 1749TIP3 H158794 -3.361 2.304 3.602 + 1749TIP3 H258795 -3.222 2.247 3.580 + 1749TIP3 OH258796 -3.267 2.062 3.343 + 1749TIP3 H158797 -3.202 2.093 3.409 + 1749TIP3 H258798 -3.211 2.005 3.289 + 1749TIP3 OH258799 -2.951 2.243 3.748 + 1749TIP3 H158800 -3.010 2.263 3.824 + 1749TIP3 H258801 -2.882 2.190 3.793 + 1749TIP3 OH258802 -3.777 2.325 3.922 + 1749TIP3 H158803 -3.817 2.278 3.847 + 1749TIP3 H258804 -3.722 2.256 3.963 + 1749TIP3 OH258805 -3.684 2.631 4.159 + 1749TIP3 H158806 -3.659 2.599 4.071 + 1749TIP3 H258807 -3.599 2.635 4.205 + 1750TIP3 OH258808 -3.768 2.195 4.270 + 1750TIP3 H158809 -3.698 2.191 4.202 + 1750TIP3 H258810 -3.724 2.241 4.343 + 1750TIP3 OH258811 -3.053 2.196 3.492 + 1750TIP3 H158812 -3.003 2.215 3.575 + 1750TIP3 H258813 -2.999 2.245 3.426 + 1750TIP3 OH258814 -3.303 2.848 3.851 + 1750TIP3 H158815 -3.256 2.878 3.930 + 1750TIP3 H258816 -3.353 2.926 3.825 + 1750TIP3 OH258817 -2.707 1.358 3.443 + 1750TIP3 H158818 -2.790 1.372 3.490 + 1750TIP3 H258819 -2.669 1.447 3.442 + 1750TIP3 OH258820 -3.889 2.191 3.674 + 1750TIP3 H158821 -3.916 2.270 3.625 + 1750TIP3 H258822 -3.963 2.131 3.656 + 1750TIP3 OH258823 -2.566 2.776 3.293 + 1750TIP3 H158824 -2.550 2.868 3.322 + 1750TIP3 H258825 -2.481 2.734 3.315 + 1750TIP3 OH258826 -4.292 2.750 4.216 + 1750TIP3 H158827 -4.208 2.711 4.243 + 1750TIP3 H258828 -4.305 2.811 4.289 + 1750TIP3 OH258829 -3.347 3.118 3.698 + 1750TIP3 H158830 -3.348 3.133 3.602 + 1750TIP3 H258831 -3.347 3.209 3.734 + 1750TIP3 OH258832 -3.977 3.029 3.861 + 1750TIP3 H158833 -3.950 2.991 3.948 + 1750TIP3 H258834 -4.058 2.979 3.846 + 1750TIP3 OH258835 -3.021 3.059 3.415 + 1750TIP3 H158836 -2.962 2.994 3.373 + 1750TIP3 H258837 -3.025 3.025 3.507 + 1751TIP3 OH258838 -3.079 3.004 3.697 + 1751TIP3 H158839 -3.174 3.020 3.714 + 1751TIP3 H258840 -3.062 2.932 3.760 + 1751TIP3 OH258841 -3.753 1.444 4.291 + 1751TIP3 H158842 -3.837 1.430 4.242 + 1751TIP3 H258843 -3.752 1.541 4.305 + 1751TIP3 OH258844 -2.896 2.303 3.291 + 1751TIP3 H158845 -2.907 2.274 3.199 + 1751TIP3 H258846 -2.799 2.313 3.297 + 1751TIP3 OH258847 -3.339 1.680 3.337 + 1751TIP3 H158848 -3.377 1.664 3.424 + 1751TIP3 H258849 -3.369 1.602 3.288 + 1751TIP3 OH258850 -3.767 1.949 3.884 + 1751TIP3 H158851 -3.863 1.945 3.866 + 1751TIP3 H258852 -3.732 1.930 3.795 + 1751TIP3 OH258853 -3.209 2.006 3.763 + 1751TIP3 H158854 -3.249 2.088 3.727 + 1751TIP3 H258855 -3.137 1.991 3.700 + 1751TIP3 OH258856 -3.129 1.947 4.043 + 1751TIP3 H158857 -3.154 2.003 3.968 + 1751TIP3 H258858 -3.105 1.866 3.994 + 1751TIP3 OH258859 -3.699 1.715 3.229 + 1751TIP3 H158860 -3.711 1.683 3.321 + 1751TIP3 H258861 -3.791 1.719 3.200 + 1751TIP3 OH258862 -4.320 1.718 3.938 + 1751TIP3 H158863 -4.297 1.701 4.031 + 1751TIP3 H258864 -4.277 1.645 3.894 + 1751TIP3 OH258865 -4.207 1.755 3.523 + 1751TIP3 H158866 -4.146 1.790 3.457 + 1751TIP3 H258867 -4.288 1.804 3.505 + 1752TIP3 OH258868 -3.499 1.713 3.984 + 1752TIP3 H158869 -3.591 1.701 4.013 + 1752TIP3 H258870 -3.450 1.686 4.063 + 1752TIP3 OH258871 -4.040 1.836 3.846 + 1752TIP3 H158872 -4.118 1.847 3.791 + 1752TIP3 H258873 -4.003 1.752 3.813 + 1752TIP3 OH258874 -3.672 1.862 3.616 + 1752TIP3 H158875 -3.575 1.868 3.630 + 1752TIP3 H258876 -3.691 1.932 3.552 + 1752TIP3 OH258877 -3.055 1.576 4.281 + 1752TIP3 H158878 -3.092 1.609 4.364 + 1752TIP3 H258879 -3.129 1.582 4.219 + 1752TIP3 OH258880 -3.829 1.993 3.391 + 1752TIP3 H158881 -3.883 1.953 3.322 + 1752TIP3 H258882 -3.744 2.009 3.345 + 1752TIP3 OH258883 -3.402 1.949 4.190 + 1752TIP3 H158884 -3.328 1.920 4.134 + 1752TIP3 H258885 -3.396 1.887 4.264 + 1752TIP3 OH258886 -3.873 1.601 3.789 + 1752TIP3 H158887 -3.915 1.514 3.800 + 1752TIP3 H258888 -3.787 1.577 3.750 + 1752TIP3 OH258889 -3.478 2.448 3.582 + 1752TIP3 H158890 -3.555 2.398 3.548 + 1752TIP3 H258891 -3.496 2.452 3.679 + 1752TIP3 OH258892 -3.063 1.729 3.356 + 1752TIP3 H158893 -3.161 1.732 3.355 + 1752TIP3 H258894 -3.039 1.801 3.418 + 1752TIP3 OH258895 -2.999 1.916 3.557 + 1752TIP3 H158896 -2.914 1.897 3.601 + 1752TIP3 H258897 -2.981 2.002 3.517 + 1753TIP3 OH258898 -3.972 2.338 4.150 + 1753TIP3 H158899 -3.904 2.367 4.087 + 1753TIP3 H258900 -3.918 2.283 4.210 + 1753TIP3 OH258901 -3.239 2.584 3.471 + 1753TIP3 H158902 -3.264 2.670 3.512 + 1753TIP3 H258903 -3.313 2.528 3.502 + 1753TIP3 OH258904 -2.718 2.772 3.544 + 1753TIP3 H158905 -2.740 2.697 3.602 + 1753TIP3 H258906 -2.657 2.732 3.482 + 1753TIP3 OH258907 -3.003 2.323 4.248 + 1753TIP3 H158908 -3.092 2.291 4.268 + 1753TIP3 H258909 -2.964 2.247 4.201 + 1753TIP3 OH258910 -3.725 2.713 3.871 + 1753TIP3 H158911 -3.686 2.801 3.876 + 1753TIP3 H258912 -3.820 2.734 3.869 + 1753TIP3 OH258913 -4.151 2.211 3.360 + 1753TIP3 H158914 -4.080 2.267 3.398 + 1753TIP3 H258915 -4.228 2.268 3.376 + 1753TIP3 OH258916 -3.544 2.485 3.858 + 1753TIP3 H158917 -3.577 2.576 3.861 + 1753TIP3 H258918 -3.621 2.435 3.892 + 1753TIP3 OH258919 -3.681 3.007 3.809 + 1753TIP3 H158920 -3.776 3.019 3.821 + 1753TIP3 H258921 -3.647 3.094 3.839 + 1753TIP3 OH258922 -2.971 2.617 3.337 + 1753TIP3 H158923 -2.925 2.571 3.410 + 1753TIP3 H258924 -3.063 2.600 3.365 + 1753TIP3 OH258925 -2.495 3.041 3.389 + 1753TIP3 H158926 -2.425 3.106 3.369 + 1753TIP3 H258927 -2.572 3.102 3.391 + 1754TIP3 OH258928 -2.870 2.479 3.575 + 1754TIP3 H158929 -2.898 2.405 3.632 + 1754TIP3 H258930 -2.773 2.473 3.582 + 1754TIP3 OH258931 -3.545 2.718 3.191 + 1754TIP3 H158932 -3.513 2.638 3.147 + 1754TIP3 H258933 -3.586 2.681 3.271 + 1754TIP3 OH258934 -3.660 2.672 3.463 + 1754TIP3 H158935 -3.612 2.620 3.529 + 1754TIP3 H258936 -3.648 2.763 3.497 + 1754TIP3 OH258937 -3.986 2.413 3.499 + 1754TIP3 H158938 -4.056 2.454 3.556 + 1754TIP3 H258939 -3.937 2.494 3.477 + 1754TIP3 OH258940 -3.148 1.610 3.630 + 1754TIP3 H158941 -3.121 1.664 3.554 + 1754TIP3 H258942 -3.101 1.655 3.703 + 1754TIP3 OH258943 -3.367 2.832 3.526 + 1754TIP3 H158944 -3.447 2.883 3.549 + 1754TIP3 H258945 -3.329 2.885 3.456 + 1754TIP3 OH258946 -3.410 1.809 3.726 + 1754TIP3 H158947 -3.331 1.865 3.740 + 1754TIP3 H258948 -3.435 1.788 3.818 + 1754TIP3 OH258949 -3.350 1.508 3.817 + 1754TIP3 H158950 -3.361 1.569 3.892 + 1754TIP3 H258951 -3.272 1.547 3.773 + 1754TIP3 OH258952 -3.647 2.942 3.527 + 1754TIP3 H158953 -3.652 3.025 3.475 + 1754TIP3 H258954 -3.659 2.975 3.618 + 1754TIP3 OH258955 -3.771 1.612 3.477 + 1754TIP3 H158956 -3.765 1.689 3.537 + 1754TIP3 H258957 -3.692 1.561 3.506 + 1755TIP3 OH258958 -2.898 2.085 4.147 + 1755TIP3 H158959 -2.971 2.039 4.104 + 1755TIP3 H258960 -2.839 2.010 4.173 + 1755TIP3 OH258961 -3.930 2.700 3.381 + 1755TIP3 H158962 -3.855 2.743 3.424 + 1755TIP3 H258963 -3.884 2.644 3.318 + 1755TIP3 OH258964 -4.102 1.917 3.277 + 1755TIP3 H158965 -4.101 2.005 3.318 + 1755TIP3 H258966 -4.194 1.899 3.262 + 1755TIP3 OH258967 -2.764 3.066 4.315 + 1755TIP3 H158968 -2.828 3.049 4.246 + 1755TIP3 H258969 -2.682 3.026 4.284 + 1755TIP3 OH258970 -4.023 1.402 4.168 + 1755TIP3 H158971 -4.059 1.408 4.077 + 1755TIP3 H258972 -4.073 1.327 4.205 + 1755TIP3 OH258973 -4.139 2.770 3.795 + 1755TIP3 H158974 -4.227 2.808 3.804 + 1755TIP3 H258975 -4.103 2.818 3.719 + 1755TIP3 OH258976 -3.323 2.892 3.240 + 1755TIP3 H158977 -3.399 2.830 3.236 + 1755TIP3 H258978 -3.252 2.834 3.208 + 1755TIP3 OH258979 -2.860 2.880 3.251 + 1755TIP3 H158980 -2.846 2.802 3.308 + 1755TIP3 H258981 -2.777 2.883 3.201 + 1755TIP3 OH258982 -3.781 2.461 3.227 + 1755TIP3 H158983 -3.762 2.406 3.305 + 1755TIP3 H258984 -3.695 2.461 3.182 + 1755TIP3 OH258985 -3.257 2.597 3.187 + 1755TIP3 H158986 -3.259 2.593 3.285 + 1755TIP3 H258987 -3.262 2.501 3.167 + 1756TIP3 OH258988 -3.674 2.273 3.459 + 1756TIP3 H158989 -3.734 2.224 3.517 + 1756TIP3 H258990 -3.643 2.203 3.398 + 1756TIP3 OH258991 -3.576 2.070 3.283 + 1756TIP3 H158992 -3.576 2.085 3.187 + 1756TIP3 H258993 -3.480 2.068 3.303 + 1756TIP3 OH258994 -2.616 2.327 3.219 + 1756TIP3 H158995 -2.631 2.281 3.135 + 1756TIP3 H258996 -2.633 2.420 3.194 + 1756TIP3 OH258997 -3.599 3.196 3.396 + 1756TIP3 H158998 -3.504 3.210 3.409 + 1756TIP3 H258999 -3.612 3.243 3.313 + 1756TIP3 OH259000 -4.197 2.689 3.305 + 1756TIP3 H159001 -4.120 2.680 3.365 + 1756TIP3 H259002 -4.220 2.598 3.284 + 1756TIP3 OH259003 -4.275 2.964 4.017 + 1756TIP3 H159004 -4.275 2.874 4.056 + 1756TIP3 H259005 -4.244 3.011 4.096 + 1756TIP3 OH259006 -2.488 3.102 4.272 + 1756TIP3 H159007 -2.512 3.087 4.365 + 1756TIP3 H259008 -2.392 3.095 4.277 + 1756TIP3 OH259009 -2.586 2.468 3.615 + 1756TIP3 H159010 -2.494 2.490 3.638 + 1756TIP3 H259011 -2.600 2.395 3.678 + 1756TIP3 OH259012 -2.543 2.278 3.825 + 1756TIP3 H159013 -2.587 2.192 3.829 + 1756TIP3 H259014 -2.464 2.262 3.881 + 1756TIP3 OH259015 -2.564 2.492 4.331 + 1756TIP3 H159016 -2.508 2.437 4.276 + 1756TIP3 H259017 -2.561 2.577 4.287 + 1757TIP3 OH259018 -2.563 2.193 3.469 + 1757TIP3 H159019 -2.568 2.243 3.386 + 1757TIP3 H259020 -2.516 2.249 3.531 + 1757TIP3 OH259021 -2.714 1.961 3.290 + 1757TIP3 H159022 -2.643 2.012 3.251 + 1757TIP3 H259023 -2.693 1.870 3.266 + 1757TIP3 OH259024 -2.774 2.070 3.886 + 1757TIP3 H159025 -2.753 1.976 3.875 + 1757TIP3 H259026 -2.785 2.080 3.982 + 1757TIP3 OH259027 -4.217 2.352 4.317 + 1757TIP3 H159028 -4.267 2.326 4.239 + 1757TIP3 H259029 -4.141 2.293 4.313 + 1757TIP3 OH259030 -2.735 1.686 3.206 + 1757TIP3 H159031 -2.677 1.647 3.274 + 1757TIP3 H259032 -2.820 1.642 3.220 + 1757TIP3 OH259033 -2.769 1.823 3.710 + 1757TIP3 H159034 -2.731 1.733 3.713 + 1757TIP3 H259035 -2.688 1.874 3.689 + 1757TIP3 OH259036 -2.740 1.884 4.220 + 1757TIP3 H159037 -2.644 1.884 4.233 + 1757TIP3 H259038 -2.773 1.879 4.312 + 1757TIP3 OH259039 -2.709 1.538 3.706 + 1757TIP3 H159040 -2.699 1.509 3.798 + 1757TIP3 H259041 -2.791 1.493 3.680 + 1757TIP3 OH259042 -4.168 1.691 4.194 + 1757TIP3 H159043 -4.170 1.595 4.210 + 1757TIP3 H259044 -4.111 1.719 4.266 + 1757TIP3 OH259045 -4.343 1.945 4.318 + 1757TIP3 H159046 -4.307 1.899 4.241 + 1757TIP3 H259047 -4.300 2.031 4.311 + 1758TIP3 OH259048 -2.527 1.585 3.366 + 1758TIP3 H159049 -2.480 1.509 3.329 + 1758TIP3 H259050 -2.453 1.642 3.397 + 1758TIP3 OH259051 -4.316 1.542 3.648 + 1758TIP3 H159052 -4.401 1.573 3.613 + 1758TIP3 H259053 -4.256 1.613 3.614 + 1758TIP3 OH259054 -2.827 3.088 3.907 + 1758TIP3 H159055 -2.783 3.062 3.823 + 1758TIP3 H259056 -2.755 3.136 3.950 + 1758TIP3 OH259057 -4.155 2.997 4.265 + 1758TIP3 H159058 -4.135 3.003 4.359 + 1758TIP3 H259059 -4.064 3.000 4.231 + 1758TIP3 OH259060 -3.904 2.904 4.106 + 1758TIP3 H159061 -3.924 2.817 4.146 + 1758TIP3 H259062 -3.821 2.928 4.150 + 1758TIP3 OH259063 -3.633 2.956 4.211 + 1758TIP3 H159064 -3.608 2.866 4.185 + 1758TIP3 H259065 -3.627 2.950 4.307 + 1758TIP3 OH259066 -3.300 1.553 4.126 + 1758TIP3 H159067 -3.360 1.480 4.153 + 1758TIP3 H259068 -3.231 1.504 4.077 + 1758TIP3 OH259069 -2.801 1.355 4.157 + 1758TIP3 H159070 -2.726 1.399 4.113 + 1758TIP3 H259071 -2.877 1.389 4.109 + 1758TIP3 OH259072 -2.599 1.452 3.961 + 1758TIP3 H159073 -2.526 1.413 3.911 + 1758TIP3 H259074 -2.564 1.542 3.978 + 1758TIP3 OH259075 -4.108 1.403 3.885 + 1758TIP3 H159076 -4.180 1.371 3.829 + 1758TIP3 H259077 -4.044 1.329 3.877 + 1759TIP3 OH259078 -4.183 1.364 3.467 + 1759TIP3 H159079 -4.133 1.432 3.419 + 1759TIP3 H259080 -4.234 1.419 3.530 + 1759TIP3 OH259081 -3.614 1.395 3.892 + 1759TIP3 H159082 -3.525 1.427 3.871 + 1759TIP3 H259083 -3.607 1.382 3.987 + 1759TIP3 OH259084 -3.068 1.407 4.004 + 1759TIP3 H159085 -3.025 1.381 3.921 + 1759TIP3 H259086 -3.091 1.321 4.042 + 1759TIP3 OH259087 -2.946 1.402 3.617 + 1759TIP3 H159088 -3.028 1.452 3.602 + 1759TIP3 H259089 -2.980 1.312 3.631 + 1759TIP3 OH259090 -4.194 2.966 3.576 + 1759TIP3 H159091 -4.243 2.945 3.495 + 1759TIP3 H259092 -4.181 3.062 3.568 + 1759TIP3 OH259093 -4.003 1.558 3.319 + 1759TIP3 H159094 -3.949 1.492 3.272 + 1759TIP3 H259095 -3.943 1.582 3.392 + 1759TIP3 OH259096 -3.501 1.566 3.584 + 1759TIP3 H159097 -3.462 1.508 3.651 + 1759TIP3 H259098 -3.477 1.653 3.621 + 1759TIP3 OH259099 -3.295 3.145 3.403 + 1759TIP3 H159100 -3.197 3.144 3.401 + 1759TIP3 H259101 -3.314 3.077 3.336 + 1759TIP3 OH259102 -2.645 3.046 3.664 + 1759TIP3 H159103 -2.668 2.962 3.620 + 1759TIP3 H259104 -2.649 3.108 3.589 + 1759TIP3 OH259105 -4.011 3.064 3.271 + 1759TIP3 H159106 -4.040 3.082 3.361 + 1759TIP3 H259107 -3.940 2.999 3.285 + 1760TIP3 OH259108 -1.282 2.288 3.923 + 1760TIP3 H159109 -1.276 2.385 3.928 + 1760TIP3 H259110 -1.351 2.276 3.856 + 1760TIP3 OH259111 -1.380 2.227 4.246 + 1760TIP3 H159112 -1.390 2.154 4.309 + 1760TIP3 H259113 -1.397 2.184 4.161 + 1760TIP3 OH259114 -1.027 2.502 4.042 + 1760TIP3 H159115 -1.066 2.435 4.101 + 1760TIP3 H259116 -0.992 2.562 4.111 + 1760TIP3 OH259117 -2.074 2.651 4.245 + 1760TIP3 H159118 -2.100 2.559 4.223 + 1760TIP3 H259119 -1.979 2.636 4.259 + 1760TIP3 OH259120 -2.295 2.235 3.979 + 1760TIP3 H159121 -2.279 2.152 4.028 + 1760TIP3 H259122 -2.220 2.238 3.920 + 1760TIP3 OH259123 -1.339 3.033 4.110 + 1760TIP3 H159124 -1.262 2.978 4.086 + 1760TIP3 H259125 -1.355 3.009 4.203 + 1760TIP3 OH259126 -1.580 2.454 4.279 + 1760TIP3 H159127 -1.535 2.390 4.222 + 1760TIP3 H259128 -1.501 2.493 4.321 + 1760TIP3 OH259129 -1.231 1.931 4.323 + 1760TIP3 H159130 -1.189 1.845 4.341 + 1760TIP3 H259131 -1.225 1.937 4.225 + 1760TIP3 OH259132 -1.925 1.720 4.043 + 1760TIP3 H159133 -1.906 1.804 3.997 + 1760TIP3 H259134 -1.955 1.667 3.966 + 1760TIP3 OH259135 -1.128 1.740 3.872 + 1760TIP3 H159136 -1.074 1.692 3.938 + 1760TIP3 H259137 -1.059 1.779 3.816 + 1761TIP3 OH259138 -2.220 1.981 4.099 + 1761TIP3 H159139 -2.179 1.913 4.153 + 1761TIP3 H259140 -2.221 1.938 4.011 + 1761TIP3 OH259141 -1.716 2.125 4.054 + 1761TIP3 H159142 -1.642 2.069 4.083 + 1761TIP3 H259143 -1.762 2.067 3.991 + 1761TIP3 OH259144 -1.283 2.575 3.793 + 1761TIP3 H159145 -1.317 2.550 3.707 + 1761TIP3 H259146 -1.329 2.659 3.811 + 1761TIP3 OH259147 -0.946 1.651 4.072 + 1761TIP3 H159148 -0.985 1.602 4.146 + 1761TIP3 H259149 -0.885 1.708 4.121 + 1761TIP3 OH259150 -1.997 1.810 4.299 + 1761TIP3 H159151 -2.011 1.903 4.277 + 1761TIP3 H259152 -1.999 1.766 4.212 + 1761TIP3 OH259153 -2.304 2.545 3.625 + 1761TIP3 H159154 -2.335 2.595 3.548 + 1761TIP3 H259155 -2.294 2.613 3.694 + 1761TIP3 OH259156 -0.945 2.634 4.260 + 1761TIP3 H159157 -1.018 2.623 4.324 + 1761TIP3 H259158 -0.928 2.728 4.275 + 1761TIP3 OH259159 -1.624 1.356 4.178 + 1761TIP3 H159160 -1.628 1.259 4.183 + 1761TIP3 H259161 -1.707 1.380 4.222 + 1761TIP3 OH259162 -1.132 2.883 3.965 + 1761TIP3 H159163 -1.085 2.804 3.932 + 1761TIP3 H259164 -1.067 2.954 3.947 + 1761TIP3 OH259165 -0.988 2.669 3.823 + 1761TIP3 H159166 -1.042 2.622 3.757 + 1761TIP3 H259167 -0.995 2.606 3.898 + 1762TIP3 OH259168 -1.409 2.244 3.643 + 1762TIP3 H159169 -1.477 2.301 3.602 + 1762TIP3 H259170 -1.338 2.246 3.576 + 1762TIP3 OH259171 -1.381 2.062 3.348 + 1762TIP3 H159172 -1.310 2.092 3.407 + 1762TIP3 H259173 -1.332 2.003 3.289 + 1762TIP3 OH259174 -1.061 2.242 3.750 + 1762TIP3 H159175 -1.126 2.263 3.820 + 1762TIP3 H259176 -0.998 2.186 3.800 + 1762TIP3 OH259177 -1.894 2.325 3.923 + 1762TIP3 H159178 -1.934 2.279 3.846 + 1762TIP3 H259179 -1.840 2.254 3.963 + 1762TIP3 OH259180 -1.798 2.643 4.152 + 1762TIP3 H159181 -1.769 2.592 4.076 + 1762TIP3 H259182 -1.721 2.641 4.210 + 1762TIP3 OH259183 -1.880 2.202 4.271 + 1762TIP3 H159184 -1.812 2.193 4.202 + 1762TIP3 H259185 -1.830 2.235 4.346 + 1762TIP3 OH259186 -1.163 2.188 3.494 + 1762TIP3 H159187 -1.116 2.215 3.575 + 1762TIP3 H259188 -1.114 2.240 3.426 + 1762TIP3 OH259189 -1.411 2.851 3.851 + 1762TIP3 H159190 -1.370 2.876 3.935 + 1762TIP3 H259191 -1.474 2.922 3.835 + 1762TIP3 OH259192 -0.823 1.364 3.446 + 1762TIP3 H159193 -0.909 1.377 3.491 + 1762TIP3 H259194 -0.784 1.452 3.454 + 1762TIP3 OH259195 -2.007 2.193 3.682 + 1762TIP3 H159196 -2.031 2.267 3.624 + 1762TIP3 H259197 -2.072 2.126 3.657 + 1763TIP3 OH259198 -0.681 2.775 3.299 + 1763TIP3 H159199 -0.664 2.868 3.322 + 1763TIP3 H259200 -0.595 2.734 3.317 + 1763TIP3 OH259201 -2.388 2.738 4.237 + 1763TIP3 H159202 -2.292 2.730 4.244 + 1763TIP3 H259203 -2.406 2.818 4.288 + 1763TIP3 OH259204 -1.480 3.184 3.711 + 1763TIP3 H159205 -1.481 3.127 3.632 + 1763TIP3 H259206 -1.406 3.241 3.693 + 1763TIP3 OH259207 -2.080 3.032 3.864 + 1763TIP3 H159208 -2.069 2.984 3.949 + 1763TIP3 H259209 -2.162 2.993 3.832 + 1763TIP3 OH259210 -1.137 3.061 3.412 + 1763TIP3 H159211 -1.077 2.997 3.367 + 1763TIP3 H259212 -1.139 3.025 3.503 + 1763TIP3 OH259213 -1.194 3.005 3.697 + 1763TIP3 H159214 -1.288 3.011 3.718 + 1763TIP3 H259215 -1.171 2.932 3.756 + 1763TIP3 OH259216 -1.867 1.445 4.291 + 1763TIP3 H159217 -1.951 1.435 4.242 + 1763TIP3 H259218 -1.863 1.541 4.307 + 1763TIP3 OH259219 -1.009 2.295 3.291 + 1763TIP3 H159220 -1.027 2.274 3.197 + 1763TIP3 H259221 -0.915 2.318 3.287 + 1763TIP3 OH259222 -1.442 1.671 3.346 + 1763TIP3 H159223 -1.493 1.660 3.428 + 1763TIP3 H259224 -1.485 1.604 3.289 + 1763TIP3 OH259225 -1.882 1.950 3.883 + 1763TIP3 H159226 -1.978 1.946 3.866 + 1763TIP3 H259227 -1.848 1.927 3.795 + 1764TIP3 OH259228 -1.321 2.007 3.764 + 1764TIP3 H159229 -1.362 2.088 3.727 + 1764TIP3 H259230 -1.252 1.990 3.697 + 1764TIP3 OH259231 -1.241 1.947 4.042 + 1764TIP3 H159232 -1.269 2.002 3.967 + 1764TIP3 H259233 -1.219 1.865 3.994 + 1764TIP3 OH259234 -1.800 1.715 3.234 + 1764TIP3 H159235 -1.836 1.682 3.319 + 1764TIP3 H259236 -1.880 1.731 3.184 + 1764TIP3 OH259237 -2.455 1.681 3.967 + 1764TIP3 H159238 -2.387 1.684 4.037 + 1764TIP3 H259239 -2.404 1.683 3.885 + 1764TIP3 OH259240 -2.317 1.740 3.477 + 1764TIP3 H159241 -2.249 1.796 3.436 + 1764TIP3 H259242 -2.356 1.805 3.540 + 1764TIP3 OH259243 -1.612 1.715 3.984 + 1764TIP3 H159244 -1.706 1.702 4.008 + 1764TIP3 H259245 -1.567 1.685 4.065 + 1764TIP3 OH259246 -2.162 1.845 3.848 + 1764TIP3 H159247 -2.245 1.868 3.798 + 1764TIP3 H259248 -2.134 1.765 3.801 + 1764TIP3 OH259249 -1.785 1.862 3.620 + 1764TIP3 H159250 -1.688 1.874 3.626 + 1764TIP3 H259251 -1.812 1.924 3.549 + 1764TIP3 OH259252 -1.169 1.580 4.273 + 1764TIP3 H159253 -1.202 1.606 4.361 + 1764TIP3 H259254 -1.249 1.580 4.219 + 1764TIP3 OH259255 -1.938 1.988 3.399 + 1764TIP3 H159256 -2.000 1.963 3.329 + 1764TIP3 H259257 -1.858 2.007 3.347 + 1765TIP3 OH259258 -1.515 1.951 4.191 + 1765TIP3 H159259 -1.444 1.917 4.134 + 1765TIP3 H259260 -1.513 1.887 4.264 + 1765TIP3 OH259261 -1.977 1.612 3.790 + 1765TIP3 H159262 -2.035 1.535 3.801 + 1765TIP3 H259263 -1.901 1.575 3.744 + 1765TIP3 OH259264 -1.594 2.450 3.583 + 1765TIP3 H159265 -1.668 2.397 3.546 + 1765TIP3 H259266 -1.613 2.449 3.679 + 1765TIP3 OH259267 -1.175 1.736 3.355 + 1765TIP3 H159268 -1.273 1.728 3.356 + 1765TIP3 H259269 -1.157 1.804 3.423 + 1765TIP3 OH259270 -1.108 1.912 3.563 + 1765TIP3 H159271 -1.021 1.895 3.605 + 1765TIP3 H259272 -1.095 2.001 3.524 + 1765TIP3 OH259273 -2.090 2.362 4.179 + 1765TIP3 H159274 -2.038 2.371 4.098 + 1765TIP3 H259275 -2.044 2.289 4.222 + 1765TIP3 OH259276 -1.354 2.585 3.472 + 1765TIP3 H159277 -1.375 2.668 3.517 + 1765TIP3 H259278 -1.428 2.528 3.501 + 1765TIP3 OH259279 -0.651 1.912 3.542 + 1765TIP3 H159280 -0.704 1.891 3.463 + 1765TIP3 H259281 -0.637 2.007 3.527 + 1765TIP3 OH259282 -0.832 2.773 3.546 + 1765TIP3 H159283 -0.851 2.696 3.602 + 1765TIP3 H259284 -0.774 2.736 3.478 + 1765TIP3 OH259285 -1.114 2.320 4.251 + 1765TIP3 H159286 -1.206 2.292 4.266 + 1765TIP3 H259287 -1.079 2.244 4.200 + 1766TIP3 OH259288 -1.839 2.715 3.860 + 1766TIP3 H159289 -1.799 2.801 3.879 + 1766TIP3 H259290 -1.933 2.735 3.866 + 1766TIP3 OH259291 -2.244 2.200 3.349 + 1766TIP3 H159292 -2.185 2.265 3.392 + 1766TIP3 H259293 -2.329 2.223 3.388 + 1766TIP3 OH259294 -1.658 2.486 3.862 + 1766TIP3 H159295 -1.696 2.576 3.861 + 1766TIP3 H259296 -1.734 2.434 3.892 + 1766TIP3 OH259297 -1.793 3.023 3.808 + 1766TIP3 H159298 -1.890 3.019 3.820 + 1766TIP3 H259299 -1.769 3.095 3.867 + 1766TIP3 OH259300 -1.083 2.616 3.336 + 1766TIP3 H159301 -1.041 2.570 3.411 + 1766TIP3 H259302 -1.176 2.601 3.360 + 1766TIP3 OH259303 -0.610 3.042 3.390 + 1766TIP3 H159304 -0.539 3.105 3.370 + 1766TIP3 H259305 -0.686 3.102 3.390 + 1766TIP3 OH259306 -0.987 2.476 3.574 + 1766TIP3 H159307 -1.014 2.404 3.634 + 1766TIP3 H259308 -0.890 2.474 3.583 + 1766TIP3 OH259309 -1.658 2.721 3.195 + 1766TIP3 H159310 -1.631 2.642 3.144 + 1766TIP3 H259311 -1.703 2.680 3.271 + 1766TIP3 OH259312 -1.772 2.673 3.463 + 1766TIP3 H159313 -1.728 2.618 3.529 + 1766TIP3 H259314 -1.762 2.763 3.500 + 1766TIP3 OH259315 -2.091 2.416 3.503 + 1766TIP3 H159316 -2.163 2.453 3.557 + 1766TIP3 H259317 -2.045 2.498 3.477 + 1767TIP3 OH259318 -1.259 1.607 3.633 + 1767TIP3 H159319 -1.243 1.663 3.556 + 1767TIP3 H259320 -1.215 1.657 3.704 + 1767TIP3 OH259321 -1.477 2.858 3.537 + 1767TIP3 H159322 -1.570 2.886 3.536 + 1767TIP3 H259323 -1.447 2.882 3.448 + 1767TIP3 OH259324 -1.518 1.807 3.727 + 1767TIP3 H159325 -1.443 1.866 3.744 + 1767TIP3 H259326 -1.550 1.788 3.817 + 1767TIP3 OH259327 -1.464 1.507 3.818 + 1767TIP3 H159328 -1.477 1.571 3.891 + 1767TIP3 H259329 -1.388 1.547 3.771 + 1767TIP3 OH259330 -1.756 2.943 3.530 + 1767TIP3 H159331 -1.767 3.022 3.473 + 1767TIP3 H259332 -1.774 2.979 3.619 + 1767TIP3 OH259333 -1.887 1.610 3.476 + 1767TIP3 H159334 -1.886 1.687 3.535 + 1767TIP3 H259335 -1.806 1.563 3.504 + 1767TIP3 OH259336 -1.010 2.088 4.136 + 1767TIP3 H159337 -1.089 2.038 4.107 + 1767TIP3 H259338 -0.954 2.016 4.172 + 1767TIP3 OH259339 -2.047 2.698 3.380 + 1767TIP3 H159340 -1.972 2.745 3.421 + 1767TIP3 H259341 -1.999 2.646 3.313 + 1767TIP3 OH259342 -2.224 1.926 3.274 + 1767TIP3 H159343 -2.223 2.015 3.314 + 1767TIP3 H259344 -2.318 1.908 3.268 + 1767TIP3 OH259345 -0.875 3.054 4.330 + 1767TIP3 H159346 -0.932 3.096 4.262 + 1767TIP3 H259347 -0.789 3.053 4.286 + 1768TIP3 OH259348 -2.144 1.415 4.172 + 1768TIP3 H159349 -2.159 1.419 4.075 + 1768TIP3 H259350 -2.179 1.328 4.195 + 1768TIP3 OH259351 -2.251 2.768 3.799 + 1768TIP3 H159352 -2.329 2.819 3.826 + 1768TIP3 H259353 -2.216 2.821 3.726 + 1768TIP3 OH259354 -1.438 2.888 3.250 + 1768TIP3 H159355 -1.513 2.828 3.233 + 1768TIP3 H259356 -1.366 2.836 3.209 + 1768TIP3 OH259357 -0.974 2.881 3.253 + 1768TIP3 H159358 -0.959 2.801 3.307 + 1768TIP3 H259359 -0.894 2.884 3.198 + 1768TIP3 OH259360 -1.894 2.466 3.227 + 1768TIP3 H159361 -1.880 2.405 3.302 + 1768TIP3 H259362 -1.808 2.459 3.181 + 1768TIP3 OH259363 -1.371 2.597 3.188 + 1768TIP3 H159364 -1.375 2.591 3.286 + 1768TIP3 H259365 -1.376 2.501 3.166 + 1768TIP3 OH259366 -1.783 2.271 3.464 + 1768TIP3 H159367 -1.849 2.222 3.516 + 1768TIP3 H259368 -1.756 2.203 3.399 + 1768TIP3 OH259369 -1.690 2.073 3.287 + 1768TIP3 H159370 -1.696 2.081 3.190 + 1768TIP3 H259371 -1.594 2.070 3.301 + 1768TIP3 OH259372 -0.740 2.318 3.212 + 1768TIP3 H159373 -0.763 2.288 3.123 + 1768TIP3 H259374 -0.742 2.415 3.198 + 1768TIP3 OH259375 -1.712 3.201 3.399 + 1768TIP3 H159376 -1.616 3.206 3.403 + 1768TIP3 H259377 -1.731 3.241 3.314 + 1769TIP3 OH259378 -2.324 2.639 3.346 + 1769TIP3 H159379 -2.229 2.655 3.365 + 1769TIP3 H259380 -2.320 2.557 3.292 + 1769TIP3 OH259381 -2.418 3.153 3.820 + 1769TIP3 H159382 -2.494 3.118 3.770 + 1769TIP3 H259383 -2.413 3.088 3.894 + 1769TIP3 OH259384 -2.383 2.956 4.019 + 1769TIP3 H159385 -2.409 2.867 4.048 + 1769TIP3 H259386 -2.357 2.992 4.106 + 1769TIP3 OH259387 -0.617 3.083 4.271 + 1769TIP3 H159388 -0.632 3.084 4.368 + 1769TIP3 H259389 -0.524 3.108 4.269 + 1769TIP3 OH259390 -0.701 2.463 3.614 + 1769TIP3 H159391 -0.610 2.495 3.629 + 1769TIP3 H259392 -0.708 2.398 3.687 + 1769TIP3 OH259393 -0.652 2.259 3.814 + 1769TIP3 H159394 -0.720 2.201 3.854 + 1769TIP3 H259395 -0.585 2.266 3.885 + 1769TIP3 OH259396 -0.637 2.500 4.341 + 1769TIP3 H159397 -0.631 2.432 4.271 + 1769TIP3 H259398 -0.693 2.568 4.300 + 1769TIP3 OH259399 -0.632 2.201 3.470 + 1769TIP3 H159400 -0.679 2.231 3.390 + 1769TIP3 H259401 -0.641 2.277 3.528 + 1769TIP3 OH259402 -0.814 1.956 3.289 + 1769TIP3 H159403 -0.769 2.014 3.225 + 1769TIP3 H259404 -0.820 1.873 3.241 + 1769TIP3 OH259405 -0.867 2.070 3.890 + 1769TIP3 H159406 -0.868 1.974 3.877 + 1769TIP3 H259407 -0.900 2.080 3.981 + 1770TIP3 OH259408 -2.377 2.256 4.263 + 1770TIP3 H159409 -2.345 2.283 4.175 + 1770TIP3 H259410 -2.294 2.259 4.314 + 1770TIP3 OH259411 -0.836 1.677 3.182 + 1770TIP3 H159412 -0.784 1.644 3.259 + 1770TIP3 H259413 -0.923 1.639 3.196 + 1770TIP3 OH259414 -0.874 1.816 3.711 + 1770TIP3 H159415 -0.848 1.722 3.724 + 1770TIP3 H259416 -0.793 1.851 3.669 + 1770TIP3 OH259417 -0.853 1.891 4.221 + 1770TIP3 H159418 -0.759 1.871 4.234 + 1770TIP3 H259419 -0.892 1.856 4.303 + 1770TIP3 OH259420 -0.823 1.538 3.732 + 1770TIP3 H159421 -0.806 1.495 3.817 + 1770TIP3 H259422 -0.903 1.489 3.702 + 1770TIP3 OH259423 -2.298 1.668 4.204 + 1770TIP3 H159424 -2.265 1.577 4.213 + 1770TIP3 H259425 -2.240 1.716 4.264 + 1770TIP3 OH259426 -2.462 1.959 4.304 + 1770TIP3 H159427 -2.422 1.923 4.223 + 1770TIP3 H259428 -2.434 2.053 4.296 + 1770TIP3 OH259429 -0.633 1.602 3.366 + 1770TIP3 H159430 -0.602 1.516 3.333 + 1770TIP3 H259431 -0.550 1.643 3.394 + 1770TIP3 OH259432 -2.401 1.554 3.680 + 1770TIP3 H159433 -2.497 1.570 3.681 + 1770TIP3 H259434 -2.368 1.629 3.628 + 1770TIP3 OH259435 -0.943 3.094 3.908 + 1770TIP3 H159436 -0.904 3.068 3.823 + 1770TIP3 H259437 -0.866 3.131 3.953 + 1771TIP3 OH259438 -2.240 2.992 4.262 + 1771TIP3 H159439 -2.204 2.996 4.353 + 1771TIP3 H259440 -2.156 2.974 4.214 + 1771TIP3 OH259441 -2.016 2.904 4.113 + 1771TIP3 H159442 -2.030 2.812 4.142 + 1771TIP3 H259443 -1.927 2.922 4.150 + 1771TIP3 OH259444 -1.750 2.957 4.210 + 1771TIP3 H159445 -1.714 2.869 4.190 + 1771TIP3 H259446 -1.736 2.961 4.305 + 1771TIP3 OH259447 -1.415 1.553 4.127 + 1771TIP3 H159448 -1.475 1.482 4.154 + 1771TIP3 H259449 -1.348 1.504 4.076 + 1771TIP3 OH259450 -0.886 1.346 4.090 + 1771TIP3 H159451 -0.815 1.410 4.109 + 1771TIP3 H259452 -0.967 1.398 4.105 + 1771TIP3 OH259453 -2.175 1.416 3.888 + 1771TIP3 H159454 -2.261 1.405 3.843 + 1771TIP3 H259455 -2.134 1.330 3.872 + 1771TIP3 OH259456 -2.296 1.366 3.476 + 1771TIP3 H159457 -2.247 1.433 3.425 + 1771TIP3 H259458 -2.336 1.421 3.546 + 1771TIP3 OH259459 -1.725 1.392 3.891 + 1771TIP3 H159460 -1.636 1.426 3.873 + 1771TIP3 H259461 -1.723 1.382 3.987 + 1771TIP3 OH259462 -1.181 1.409 4.006 + 1771TIP3 H159463 -1.144 1.382 3.921 + 1771TIP3 H259464 -1.204 1.323 4.046 + 1771TIP3 OH259465 -1.055 1.405 3.617 + 1771TIP3 H159466 -1.138 1.455 3.604 + 1771TIP3 H259467 -1.090 1.316 3.634 + 1772TIP3 OH259468 -2.274 2.961 3.592 + 1772TIP3 H159469 -2.339 2.947 3.522 + 1772TIP3 H259470 -2.280 3.057 3.603 + 1772TIP3 OH259471 -2.119 1.542 3.316 + 1772TIP3 H159472 -2.055 1.489 3.267 + 1772TIP3 H259473 -2.065 1.577 3.389 + 1772TIP3 OH259474 -1.614 1.564 3.582 + 1772TIP3 H159475 -1.578 1.509 3.653 + 1772TIP3 H259476 -1.596 1.652 3.619 + 1772TIP3 OH259477 -1.410 3.148 3.404 + 1772TIP3 H159478 -1.313 3.145 3.402 + 1772TIP3 H259479 -1.431 3.076 3.343 + 1772TIP3 OH259480 -0.762 3.046 3.665 + 1772TIP3 H159481 -0.783 2.962 3.618 + 1772TIP3 H259482 -0.761 3.109 3.590 + 1772TIP3 OH259483 -2.132 3.058 3.272 + 1772TIP3 H159484 -2.158 3.082 3.362 + 1772TIP3 H259485 -2.058 2.997 3.288 + 1772TIP3 OH259486 0.602 2.288 3.924 + 1772TIP3 H159487 0.610 2.385 3.928 + 1772TIP3 H259488 0.536 2.277 3.855 + 1772TIP3 OH259489 0.502 2.227 4.247 + 1772TIP3 H159490 0.494 2.151 4.306 + 1772TIP3 H259491 0.490 2.187 4.160 + 1772TIP3 OH259492 0.857 2.503 4.040 + 1772TIP3 H159493 0.817 2.436 4.098 + 1772TIP3 H259494 0.892 2.562 4.109 + 1772TIP3 OH259495 -0.192 2.643 4.246 + 1772TIP3 H159496 -0.207 2.552 4.214 + 1772TIP3 H259497 -0.095 2.637 4.257 + 1773TIP3 OH259498 -0.495 2.003 3.783 + 1773TIP3 H159499 -0.540 2.088 3.783 + 1773TIP3 H259500 -0.561 1.945 3.741 + 1773TIP3 OH259501 -0.414 2.236 3.981 + 1773TIP3 H159502 -0.394 2.150 4.023 + 1773TIP3 H259503 -0.336 2.247 3.925 + 1773TIP3 OH259504 0.561 3.043 4.112 + 1773TIP3 H159505 0.625 2.976 4.083 + 1773TIP3 H259506 0.536 3.013 4.201 + 1773TIP3 OH259507 0.305 2.456 4.279 + 1773TIP3 H159508 0.347 2.390 4.222 + 1773TIP3 H259509 0.386 2.492 4.320 + 1773TIP3 OH259510 0.654 1.930 4.323 + 1773TIP3 H159511 0.695 1.844 4.339 + 1773TIP3 H259512 0.659 1.938 4.226 + 1773TIP3 OH259513 -0.023 1.714 4.036 + 1773TIP3 H159514 -0.017 1.802 3.996 + 1773TIP3 H259515 -0.061 1.663 3.963 + 1773TIP3 OH259516 0.756 1.742 3.872 + 1773TIP3 H159517 0.813 1.695 3.938 + 1773TIP3 H259518 0.824 1.781 3.815 + 1773TIP3 OH259519 -0.344 1.983 4.099 + 1773TIP3 H159520 -0.298 1.919 4.153 + 1773TIP3 H259521 -0.341 1.940 4.012 + 1773TIP3 OH259522 0.167 2.125 4.057 + 1773TIP3 H159523 0.243 2.070 4.083 + 1773TIP3 H259524 0.124 2.068 3.991 + 1773TIP3 OH259525 0.599 2.573 3.794 + 1773TIP3 H159526 0.572 2.553 3.704 + 1773TIP3 H259527 0.555 2.658 3.810 + 1774TIP3 OH259528 0.937 1.659 4.072 + 1774TIP3 H159529 0.903 1.595 4.137 + 1774TIP3 H259530 0.988 1.718 4.130 + 1774TIP3 OH259531 -0.113 1.796 4.299 + 1774TIP3 H159532 -0.168 1.875 4.297 + 1774TIP3 H259533 -0.144 1.744 4.223 + 1774TIP3 OH259534 -0.428 2.546 3.628 + 1774TIP3 H159535 -0.442 2.595 3.545 + 1774TIP3 H259536 -0.408 2.616 3.693 + 1774TIP3 OH259537 0.932 2.634 4.259 + 1774TIP3 H159538 0.867 2.625 4.332 + 1774TIP3 H259539 0.995 2.695 4.298 + 1774TIP3 OH259540 0.261 1.358 4.184 + 1774TIP3 H159541 0.255 1.262 4.183 + 1774TIP3 H259542 0.174 1.383 4.221 + 1774TIP3 OH259543 0.752 2.884 3.965 + 1774TIP3 H159544 0.798 2.804 3.934 + 1774TIP3 H259545 0.819 2.953 3.945 + 1774TIP3 OH259546 0.896 2.670 3.823 + 1774TIP3 H159547 0.846 2.622 3.755 + 1774TIP3 H259548 0.890 2.606 3.897 + 1774TIP3 OH259549 0.476 2.245 3.643 + 1774TIP3 H159550 0.410 2.300 3.599 + 1774TIP3 H259551 0.548 2.244 3.577 + 1774TIP3 OH259552 0.503 2.060 3.348 + 1774TIP3 H159553 0.575 2.092 3.405 + 1774TIP3 H259554 0.553 2.003 3.287 + 1774TIP3 OH259555 0.826 2.243 3.750 + 1774TIP3 H159556 0.760 2.264 3.819 + 1774TIP3 H259557 0.887 2.186 3.800 + 1775TIP3 OH259558 -0.015 2.323 3.926 + 1775TIP3 H159559 -0.049 2.277 3.846 + 1775TIP3 H259560 0.045 2.256 3.963 + 1775TIP3 OH259561 0.084 2.634 4.158 + 1775TIP3 H159562 0.110 2.599 4.072 + 1775TIP3 H259563 0.167 2.631 4.207 + 1775TIP3 OH259564 0.007 2.213 4.272 + 1775TIP3 H159565 0.070 2.189 4.201 + 1775TIP3 H259566 0.066 2.227 4.346 + 1775TIP3 OH259567 0.721 2.189 3.494 + 1775TIP3 H159568 0.770 2.214 3.575 + 1775TIP3 H259569 0.771 2.239 3.425 + 1775TIP3 OH259570 0.467 2.847 3.853 + 1775TIP3 H159571 0.515 2.880 3.930 + 1775TIP3 H259572 0.418 2.926 3.823 + 1775TIP3 OH259573 1.067 1.361 3.444 + 1775TIP3 H159574 0.979 1.370 3.484 + 1775TIP3 H259575 1.101 1.452 3.450 + 1775TIP3 OH259576 -0.126 2.199 3.686 + 1775TIP3 H159577 -0.142 2.268 3.620 + 1775TIP3 H259578 -0.181 2.126 3.653 + 1775TIP3 OH259579 1.204 2.774 3.298 + 1775TIP3 H159580 1.220 2.868 3.322 + 1775TIP3 H259581 1.291 2.734 3.317 + 1775TIP3 OH259582 -0.480 2.734 4.285 + 1775TIP3 H159583 -0.393 2.736 4.242 + 1775TIP3 H259584 -0.504 2.828 4.278 + 1775TIP3 OH259585 0.422 3.118 3.699 + 1775TIP3 H159586 0.423 3.130 3.603 + 1775TIP3 H259587 0.424 3.209 3.732 + 1776TIP3 OH259588 -0.198 3.033 3.862 + 1776TIP3 H159589 -0.181 2.987 3.946 + 1776TIP3 H259590 -0.281 2.993 3.833 + 1776TIP3 OH259591 0.752 3.060 3.417 + 1776TIP3 H159592 0.810 2.995 3.373 + 1776TIP3 H259593 0.747 3.023 3.508 + 1776TIP3 OH259594 0.692 3.004 3.698 + 1776TIP3 H159595 0.596 3.019 3.713 + 1776TIP3 H259596 0.707 2.931 3.760 + 1776TIP3 OH259597 0.013 1.446 4.283 + 1776TIP3 H159598 -0.072 1.432 4.235 + 1776TIP3 H259599 0.011 1.541 4.301 + 1776TIP3 OH259600 0.878 2.297 3.296 + 1776TIP3 H159601 0.856 2.277 3.203 + 1776TIP3 H259602 0.973 2.318 3.289 + 1776TIP3 OH259603 0.431 1.655 3.325 + 1776TIP3 H159604 0.380 1.639 3.405 + 1776TIP3 H259605 0.392 1.588 3.264 + 1776TIP3 OH259606 0.006 1.956 3.882 + 1776TIP3 H159607 -0.089 1.941 3.866 + 1776TIP3 H259608 0.042 1.929 3.795 + 1776TIP3 OH259609 0.567 2.008 3.764 + 1776TIP3 H159610 0.524 2.088 3.726 + 1776TIP3 H259611 0.634 1.988 3.697 + 1776TIP3 OH259612 0.644 1.947 4.042 + 1776TIP3 H159613 0.617 2.002 3.966 + 1776TIP3 H259614 0.667 1.865 3.994 + 1776TIP3 OH259615 0.064 1.745 3.258 + 1776TIP3 H159616 0.056 1.666 3.314 + 1776TIP3 H259617 0.040 1.711 3.171 + 1777TIP3 OH259618 -0.535 1.717 3.948 + 1777TIP3 H159619 -0.539 1.673 4.035 + 1777TIP3 H259620 -0.527 1.640 3.890 + 1777TIP3 OH259621 -0.415 1.748 3.511 + 1777TIP3 H159622 -0.356 1.796 3.449 + 1777TIP3 H259623 -0.480 1.817 3.532 + 1777TIP3 OH259624 0.275 1.714 3.985 + 1777TIP3 H159625 0.180 1.704 4.006 + 1777TIP3 H259626 0.316 1.684 4.068 + 1777TIP3 OH259627 -0.255 1.839 3.848 + 1777TIP3 H159628 -0.346 1.851 3.817 + 1777TIP3 H259629 -0.230 1.753 3.808 + 1777TIP3 OH259630 0.101 1.870 3.625 + 1777TIP3 H159631 0.198 1.870 3.626 + 1777TIP3 H259632 0.078 1.921 3.546 + 1777TIP3 OH259633 0.721 1.584 4.277 + 1777TIP3 H159634 0.681 1.606 4.362 + 1777TIP3 H259635 0.643 1.577 4.219 + 1777TIP3 OH259636 -0.057 1.997 3.398 + 1777TIP3 H159637 -0.110 1.954 3.330 + 1777TIP3 H259638 0.028 2.006 3.351 + 1777TIP3 OH259639 0.371 1.952 4.194 + 1777TIP3 H159640 0.438 1.918 4.133 + 1777TIP3 H259641 0.373 1.884 4.263 + 1777TIP3 OH259642 -0.092 1.602 3.792 + 1777TIP3 H159643 -0.148 1.523 3.802 + 1777TIP3 H259644 -0.018 1.569 3.740 + 1777TIP3 OH259645 0.289 2.452 3.581 + 1777TIP3 H159646 0.216 2.397 3.546 + 1777TIP3 H259647 0.275 2.447 3.678 + 1778TIP3 OH259648 0.698 1.728 3.362 + 1778TIP3 H159649 0.601 1.725 3.352 + 1778TIP3 H259650 0.715 1.804 3.420 + 1778TIP3 OH259651 0.775 1.914 3.566 + 1778TIP3 H159652 0.864 1.895 3.602 + 1778TIP3 H259653 0.789 1.998 3.520 + 1778TIP3 OH259654 -0.205 2.364 4.177 + 1778TIP3 H159655 -0.152 2.369 4.097 + 1778TIP3 H259656 -0.157 2.292 4.223 + 1778TIP3 OH259657 0.533 2.584 3.475 + 1778TIP3 H159658 0.506 2.670 3.513 + 1778TIP3 H259659 0.459 2.528 3.501 + 1778TIP3 OH259660 1.236 1.911 3.540 + 1778TIP3 H159661 1.181 1.891 3.461 + 1778TIP3 H259662 1.248 2.007 3.525 + 1778TIP3 OH259663 1.057 2.774 3.548 + 1778TIP3 H159664 1.034 2.696 3.602 + 1778TIP3 H259665 1.111 2.736 3.477 + 1778TIP3 OH259666 0.769 2.322 4.249 + 1778TIP3 H159667 0.678 2.291 4.267 + 1778TIP3 H259668 0.807 2.247 4.201 + 1778TIP3 OH259669 0.045 2.714 3.874 + 1778TIP3 H159670 0.087 2.801 3.873 + 1778TIP3 H259671 -0.048 2.737 3.860 + 1778TIP3 OH259672 -0.357 2.199 3.352 + 1778TIP3 H159673 -0.296 2.263 3.392 + 1778TIP3 H259674 -0.443 2.228 3.386 + 1778TIP3 OH259675 0.228 2.485 3.867 + 1778TIP3 H159676 0.194 2.575 3.862 + 1778TIP3 H259677 0.150 2.435 3.894 + 1779TIP3 OH259678 0.089 3.006 3.814 + 1779TIP3 H159679 -0.006 3.023 3.819 + 1779TIP3 H259680 0.126 3.093 3.839 + 1779TIP3 OH259681 0.802 2.617 3.337 + 1779TIP3 H159682 0.845 2.570 3.411 + 1779TIP3 H259683 0.709 2.601 3.361 + 1779TIP3 OH259684 1.277 3.041 3.390 + 1779TIP3 H159685 1.346 3.106 3.368 + 1779TIP3 H259686 1.199 3.101 3.390 + 1779TIP3 OH259687 0.899 2.479 3.576 + 1779TIP3 H159688 0.872 2.405 3.633 + 1779TIP3 H259689 0.996 2.474 3.583 + 1779TIP3 OH259690 0.226 2.721 3.193 + 1779TIP3 H159691 0.255 2.642 3.144 + 1779TIP3 H259692 0.184 2.679 3.271 + 1779TIP3 OH259693 0.108 2.672 3.466 + 1779TIP3 H159694 0.163 2.618 3.526 + 1779TIP3 H259695 0.126 2.763 3.499 + 1779TIP3 OH259696 -0.207 2.416 3.502 + 1779TIP3 H159697 -0.277 2.455 3.558 + 1779TIP3 H259698 -0.157 2.495 3.477 + 1779TIP3 OH259699 0.623 1.608 3.634 + 1779TIP3 H159700 0.643 1.656 3.552 + 1779TIP3 H259701 0.671 1.658 3.701 + 1779TIP3 OH259702 0.406 2.835 3.528 + 1779TIP3 H159703 0.324 2.884 3.545 + 1779TIP3 H259704 0.442 2.881 3.452 + 1779TIP3 OH259705 0.366 1.808 3.727 + 1779TIP3 H159706 0.444 1.865 3.744 + 1779TIP3 H259707 0.335 1.789 3.817 + 1780TIP3 OH259708 0.423 1.507 3.821 + 1780TIP3 H159709 0.408 1.576 3.888 + 1780TIP3 H259710 0.497 1.547 3.770 + 1780TIP3 OH259711 0.125 2.942 3.528 + 1780TIP3 H159712 0.120 3.024 3.474 + 1780TIP3 H259713 0.113 2.977 3.618 + 1780TIP3 OH259714 -0.010 1.598 3.487 + 1780TIP3 H159715 0.000 1.683 3.531 + 1780TIP3 H259716 0.076 1.556 3.503 + 1780TIP3 OH259717 0.874 2.087 4.139 + 1780TIP3 H159718 0.796 2.039 4.107 + 1780TIP3 H259719 0.931 2.014 4.171 + 1780TIP3 OH259720 -0.163 2.697 3.381 + 1780TIP3 H159721 -0.088 2.744 3.421 + 1780TIP3 H259722 -0.114 2.646 3.314 + 1780TIP3 OH259723 -0.353 1.923 3.302 + 1780TIP3 H159724 -0.336 2.017 3.322 + 1780TIP3 H259725 -0.439 1.925 3.261 + 1780TIP3 OH259726 1.008 3.058 4.322 + 1780TIP3 H159727 0.947 3.061 4.247 + 1780TIP3 H259728 1.093 3.032 4.283 + 1780TIP3 OH259729 -0.237 1.421 4.166 + 1780TIP3 H159730 -0.278 1.449 4.083 + 1780TIP3 H259731 -0.315 1.386 4.213 + 1780TIP3 OH259732 -0.368 2.768 3.802 + 1780TIP3 H159733 -0.446 2.823 3.819 + 1780TIP3 H259734 -0.325 2.816 3.731 + 1780TIP3 OH259735 0.448 2.891 3.244 + 1780TIP3 H159736 0.373 2.828 3.234 + 1780TIP3 H259737 0.520 2.836 3.207 + 1781TIP3 OH259738 0.912 2.882 3.255 + 1781TIP3 H159739 0.925 2.800 3.306 + 1781TIP3 H259740 0.992 2.884 3.199 + 1781TIP3 OH259741 -0.009 2.464 3.227 + 1781TIP3 H159742 0.007 2.404 3.302 + 1781TIP3 H259743 0.077 2.459 3.181 + 1781TIP3 OH259744 0.513 2.598 3.190 + 1781TIP3 H159745 0.511 2.592 3.287 + 1781TIP3 H259746 0.511 2.502 3.168 + 1781TIP3 OH259747 0.100 2.274 3.464 + 1781TIP3 H159748 0.040 2.218 3.516 + 1781TIP3 H259749 0.132 2.209 3.398 + 1781TIP3 OH259750 0.197 2.081 3.291 + 1781TIP3 H159751 0.190 2.069 3.195 + 1781TIP3 H259752 0.293 2.069 3.305 + 1781TIP3 OH259753 1.146 2.325 3.220 + 1781TIP3 H159754 1.138 2.281 3.134 + 1781TIP3 H259755 1.136 2.419 3.193 + 1781TIP3 OH259756 0.171 3.196 3.396 + 1781TIP3 H159757 0.267 3.208 3.409 + 1781TIP3 H259758 0.159 3.242 3.312 + 1781TIP3 OH259759 -0.437 2.636 3.351 + 1781TIP3 H159760 -0.342 2.656 3.364 + 1781TIP3 H259761 -0.434 2.558 3.292 + 1781TIP3 OH259762 -0.536 3.155 3.822 + 1781TIP3 H159763 -0.609 3.118 3.769 + 1781TIP3 H259764 -0.527 3.088 3.893 + 1781TIP3 OH259765 -0.498 2.958 4.018 + 1781TIP3 H159766 -0.528 2.869 4.041 + 1781TIP3 H259767 -0.469 2.990 4.105 + 1782TIP3 OH259768 1.278 3.096 4.271 + 1782TIP3 H159769 1.256 3.086 4.365 + 1782TIP3 H259770 1.375 3.098 4.276 + 1782TIP3 OH259771 1.185 2.463 3.614 + 1782TIP3 H159772 1.276 2.494 3.630 + 1782TIP3 H259773 1.176 2.398 3.686 + 1782TIP3 OH259774 1.235 2.257 3.813 + 1782TIP3 H159775 1.165 2.202 3.854 + 1782TIP3 H259776 1.300 2.268 3.886 + 1782TIP3 OH259777 1.207 2.491 4.332 + 1782TIP3 H159778 1.265 2.439 4.275 + 1782TIP3 H259779 1.206 2.577 4.288 + 1782TIP3 OH259780 1.256 2.203 3.470 + 1782TIP3 H159781 1.205 2.230 3.391 + 1782TIP3 H259782 1.244 2.280 3.527 + 1782TIP3 OH259783 1.084 1.960 3.295 + 1782TIP3 H159784 1.111 2.016 3.221 + 1782TIP3 H259785 1.059 1.877 3.250 + 1782TIP3 OH259786 1.023 2.072 3.893 + 1782TIP3 H159787 1.018 1.977 3.876 + 1782TIP3 H259788 0.986 2.080 3.983 + 1782TIP3 OH259789 -0.493 2.278 4.255 + 1782TIP3 H159790 -0.452 2.282 4.166 + 1782TIP3 H259791 -0.417 2.255 4.312 + 1782TIP3 OH259792 1.028 1.695 3.218 + 1782TIP3 H159793 1.086 1.641 3.275 + 1782TIP3 H259794 0.949 1.639 3.206 + 1782TIP3 OH259795 1.012 1.822 3.712 + 1782TIP3 H159796 1.035 1.726 3.716 + 1782TIP3 H259797 1.092 1.857 3.669 + 1783TIP3 OH259798 1.035 1.890 4.219 + 1783TIP3 H159799 1.130 1.887 4.235 + 1783TIP3 H259800 0.997 1.868 4.306 + 1783TIP3 OH259801 1.058 1.543 3.707 + 1783TIP3 H159802 1.069 1.508 3.797 + 1783TIP3 H259803 0.979 1.493 3.677 + 1783TIP3 OH259804 -0.574 1.955 4.304 + 1783TIP3 H159805 -0.536 1.912 4.225 + 1783TIP3 H259806 -0.543 2.046 4.292 + 1783TIP3 OH259807 1.256 1.590 3.375 + 1783TIP3 H159808 1.286 1.509 3.329 + 1783TIP3 H259809 1.338 1.641 3.381 + 1783TIP3 OH259810 -0.515 1.538 3.662 + 1783TIP3 H159811 -0.607 1.562 3.683 + 1783TIP3 H259812 -0.477 1.620 3.626 + 1783TIP3 OH259813 0.945 3.088 3.907 + 1783TIP3 H159814 0.987 3.062 3.823 + 1783TIP3 H259815 1.018 3.135 3.949 + 1783TIP3 OH259816 -0.356 2.986 4.259 + 1783TIP3 H159817 -0.321 2.999 4.350 + 1783TIP3 H259818 -0.271 2.971 4.213 + 1783TIP3 OH259819 -0.133 2.905 4.116 + 1783TIP3 H159820 -0.139 2.811 4.139 + 1783TIP3 H259821 -0.041 2.926 4.145 + 1783TIP3 OH259822 0.130 2.951 4.213 + 1783TIP3 H159823 0.168 2.867 4.184 + 1783TIP3 H259824 0.149 2.948 4.308 + 1783TIP3 OH259825 0.473 1.552 4.132 + 1783TIP3 H159826 0.410 1.481 4.156 + 1783TIP3 H259827 0.536 1.504 4.075 + 1784TIP3 OH259828 0.979 1.359 4.165 + 1784TIP3 H159829 1.043 1.395 4.102 + 1784TIP3 H259830 0.894 1.374 4.121 + 1784TIP3 OH259831 1.178 1.460 3.968 + 1784TIP3 H159832 1.247 1.414 3.918 + 1784TIP3 H259833 1.212 1.552 3.970 + 1784TIP3 OH259834 -0.297 1.417 3.874 + 1784TIP3 H159835 -0.391 1.401 3.850 + 1784TIP3 H259836 -0.261 1.327 3.877 + 1784TIP3 OH259837 -0.419 1.370 3.463 + 1784TIP3 H159838 -0.355 1.433 3.425 + 1784TIP3 H259839 -0.449 1.421 3.542 + 1784TIP3 OH259840 0.163 1.386 3.889 + 1784TIP3 H159841 0.250 1.426 3.873 + 1784TIP3 H259842 0.160 1.385 3.986 + 1784TIP3 OH259843 0.712 1.405 4.009 + 1784TIP3 H159844 0.744 1.383 3.921 + 1784TIP3 H259845 0.680 1.319 4.041 + 1784TIP3 OH259846 0.826 1.403 3.618 + 1784TIP3 H159847 0.743 1.452 3.601 + 1784TIP3 H259848 0.793 1.312 3.628 + 1784TIP3 OH259849 -0.393 2.960 3.595 + 1784TIP3 H159850 -0.454 2.949 3.521 + 1784TIP3 H259851 -0.392 3.056 3.603 + 1784TIP3 OH259852 -0.235 1.551 3.313 + 1784TIP3 H159853 -0.174 1.493 3.263 + 1784TIP3 H259854 -0.175 1.583 3.384 + 1784TIP3 OH259855 0.270 1.563 3.584 + 1784TIP3 H159856 0.309 1.509 3.655 + 1784TIP3 H259857 0.293 1.651 3.615 + 1785TIP3 OH259858 0.476 3.144 3.404 + 1785TIP3 H159859 0.573 3.145 3.401 + 1785TIP3 H259860 0.457 3.077 3.337 + 1785TIP3 OH259861 1.125 3.046 3.664 + 1785TIP3 H159862 1.103 2.961 3.621 + 1785TIP3 H259863 1.123 3.107 3.589 + 1785TIP3 OH259864 -0.249 3.055 3.273 + 1785TIP3 H159865 -0.269 3.083 3.363 + 1785TIP3 H259866 -0.170 2.998 3.286 + 1785TIP3 OH259867 2.479 2.291 3.935 + 1785TIP3 H159868 2.494 2.386 3.926 + 1785TIP3 H259869 2.424 2.272 3.858 + 1785TIP3 OH259870 2.368 2.199 4.253 + 1785TIP3 H159871 2.432 2.132 4.283 + 1785TIP3 H259872 2.388 2.202 4.158 + 1785TIP3 OH259873 2.743 2.505 4.038 + 1785TIP3 H159874 2.703 2.436 4.095 + 1785TIP3 H259875 2.777 2.563 4.109 + 1785TIP3 OH259876 1.702 2.648 4.253 + 1785TIP3 H159877 1.673 2.558 4.226 + 1785TIP3 H259878 1.798 2.634 4.247 + 1785TIP3 OH259879 1.392 2.002 3.783 + 1785TIP3 H159880 1.347 2.088 3.783 + 1785TIP3 H259881 1.326 1.947 3.738 + 1785TIP3 OH259882 1.473 2.238 3.980 + 1785TIP3 H159883 1.490 2.154 4.026 + 1785TIP3 H259884 1.548 2.244 3.921 + 1785TIP3 OH259885 2.448 3.044 4.112 + 1785TIP3 H159886 2.511 2.976 4.084 + 1785TIP3 H259887 2.421 3.014 4.201 + 1786TIP3 OH259888 2.190 2.450 4.286 + 1786TIP3 H159889 2.231 2.398 4.216 + 1786TIP3 H259890 2.272 2.492 4.323 + 1786TIP3 OH259891 2.533 1.942 4.326 + 1786TIP3 H159892 2.569 1.855 4.351 + 1786TIP3 H259893 2.540 1.938 4.229 + 1786TIP3 OH259894 1.845 1.720 4.044 + 1786TIP3 H159895 1.875 1.799 3.996 + 1786TIP3 H259896 1.821 1.663 3.969 + 1786TIP3 OH259897 2.659 1.781 3.872 + 1786TIP3 H159898 2.688 1.706 3.928 + 1786TIP3 H259899 2.731 1.786 3.808 + 1786TIP3 OH259900 1.554 1.985 4.100 + 1786TIP3 H159901 1.591 1.912 4.152 + 1786TIP3 H259902 1.550 1.943 4.012 + 1786TIP3 OH259903 2.052 2.121 4.052 + 1786TIP3 H159904 2.130 2.065 4.066 + 1786TIP3 H259905 2.005 2.068 3.985 + 1786TIP3 OH259906 2.488 2.576 3.793 + 1786TIP3 H159907 2.455 2.550 3.706 + 1786TIP3 H259908 2.441 2.659 3.810 + 1786TIP3 OH259909 2.834 1.657 4.068 + 1786TIP3 H159910 2.795 1.589 4.124 + 1786TIP3 H259911 2.871 1.716 4.136 + 1786TIP3 OH259912 1.770 1.803 4.294 + 1786TIP3 H159913 1.751 1.896 4.276 + 1786TIP3 H259914 1.774 1.763 4.205 + 1786TIP3 OH259915 1.461 2.545 3.627 + 1786TIP3 H159916 1.442 2.594 3.545 + 1786TIP3 H259917 1.477 2.616 3.692 + 1787TIP3 OH259918 2.815 2.637 4.258 + 1787TIP3 H159919 2.752 2.626 4.333 + 1787TIP3 H259920 2.883 2.692 4.298 + 1787TIP3 OH259921 2.159 1.370 4.199 + 1787TIP3 H159922 2.169 1.276 4.180 + 1787TIP3 H259923 2.066 1.380 4.223 + 1787TIP3 OH259924 2.637 2.884 3.967 + 1787TIP3 H159925 2.683 2.804 3.935 + 1787TIP3 H259926 2.703 2.953 3.945 + 1787TIP3 OH259927 2.783 2.670 3.818 + 1787TIP3 H159928 2.727 2.620 3.756 + 1787TIP3 H259929 2.779 2.609 3.895 + 1787TIP3 OH259930 2.362 2.250 3.643 + 1787TIP3 H159931 2.294 2.300 3.595 + 1787TIP3 H259932 2.433 2.244 3.577 + 1787TIP3 OH259933 2.389 2.063 3.349 + 1787TIP3 H159934 2.461 2.092 3.407 + 1787TIP3 H259935 2.436 2.001 3.291 + 1787TIP3 OH259936 2.712 2.244 3.750 + 1787TIP3 H159937 2.646 2.262 3.819 + 1787TIP3 H259938 2.772 2.183 3.797 + 1787TIP3 OH259939 1.869 2.320 3.929 + 1787TIP3 H159940 1.833 2.280 3.847 + 1787TIP3 H259941 1.933 2.253 3.957 + 1787TIP3 OH259942 1.969 2.626 4.163 + 1787TIP3 H159943 1.992 2.601 4.072 + 1787TIP3 H259944 2.056 2.639 4.204 + 1787TIP3 OH259945 1.975 2.185 4.314 + 1787TIP3 H159946 1.968 2.188 4.217 + 1787TIP3 H259947 1.922 2.264 4.339 + 1788TIP3 OH259948 2.606 2.190 3.494 + 1788TIP3 H159949 2.655 2.214 3.575 + 1788TIP3 H259950 2.656 2.242 3.426 + 1788TIP3 OH259951 2.356 2.848 3.852 + 1788TIP3 H159952 2.402 2.882 3.930 + 1788TIP3 H259953 2.306 2.925 3.822 + 1788TIP3 OH259954 2.951 1.359 3.447 + 1788TIP3 H159955 2.860 1.369 3.481 + 1788TIP3 H259956 2.984 1.450 3.453 + 1788TIP3 OH259957 1.759 2.199 3.686 + 1788TIP3 H159958 1.742 2.270 3.621 + 1788TIP3 H259959 1.704 2.128 3.652 + 1788TIP3 OH259960 3.099 2.784 3.292 + 1788TIP3 H159961 3.111 2.872 3.332 + 1788TIP3 H259962 3.182 2.738 3.315 + 1788TIP3 OH259963 1.384 2.736 4.241 + 1788TIP3 H159964 1.481 2.734 4.244 + 1788TIP3 H259965 1.364 2.819 4.285 + 1788TIP3 OH259966 2.311 3.120 3.701 + 1788TIP3 H159967 2.302 3.130 3.606 + 1788TIP3 H259968 2.310 3.211 3.733 + 1788TIP3 OH259969 1.689 3.033 3.862 + 1788TIP3 H159970 1.702 2.986 3.947 + 1788TIP3 H259971 1.605 2.993 3.832 + 1788TIP3 OH259972 2.638 3.053 3.409 + 1788TIP3 H159973 2.669 2.970 3.368 + 1788TIP3 H259974 2.629 3.026 3.503 + 1788TIP3 OH259975 2.579 3.010 3.693 + 1788TIP3 H159976 2.484 3.026 3.710 + 1788TIP3 H259977 2.594 2.937 3.754 + 1789TIP3 OH259978 1.904 1.451 4.294 + 1789TIP3 H159979 1.826 1.425 4.243 + 1789TIP3 H259980 1.892 1.546 4.304 + 1789TIP3 OH259981 2.764 2.302 3.296 + 1789TIP3 H159982 2.740 2.279 3.204 + 1789TIP3 H259983 2.860 2.316 3.286 + 1789TIP3 OH259984 2.326 1.673 3.345 + 1789TIP3 H159985 2.283 1.657 3.431 + 1789TIP3 H259986 2.286 1.603 3.291 + 1789TIP3 OH259987 1.892 1.957 3.883 + 1789TIP3 H159988 1.797 1.940 3.866 + 1789TIP3 H259989 1.930 1.929 3.796 + 1789TIP3 OH259990 2.456 2.017 3.771 + 1789TIP3 H159991 2.408 2.087 3.723 + 1789TIP3 H259992 2.519 1.986 3.704 + 1789TIP3 OH259993 2.525 1.954 4.044 + 1789TIP3 H159994 2.501 2.001 3.961 + 1789TIP3 H259995 2.554 1.870 4.001 + 1789TIP3 OH259996 1.971 1.720 3.236 + 1789TIP3 H159997 1.936 1.682 3.319 + 1789TIP3 H259998 1.891 1.730 3.182 + 1789TIP3 OH259999 1.318 1.709 3.945 + 1789TIP3 H160000 1.377 1.698 4.021 + 1789TIP3 H260001 1.365 1.666 3.872 + 1789TIP3 OH260002 1.475 1.749 3.515 + 1789TIP3 H160003 1.528 1.796 3.448 + 1789TIP3 H260004 1.403 1.813 3.530 + 1789TIP3 OH260005 2.161 1.729 4.008 + 1789TIP3 H160006 2.076 1.684 4.008 + 1789TIP3 H260007 2.219 1.660 4.045 + 1790TIP3 OH260008 1.623 1.834 3.854 + 1790TIP3 H160009 1.541 1.857 3.807 + 1790TIP3 H260010 1.653 1.754 3.807 + 1790TIP3 OH260011 1.985 1.870 3.626 + 1790TIP3 H160012 2.082 1.867 3.632 + 1790TIP3 H260013 1.968 1.924 3.547 + 1790TIP3 OH260014 2.581 1.606 4.256 + 1790TIP3 H160015 2.528 1.597 4.336 + 1790TIP3 H260016 2.526 1.563 4.188 + 1790TIP3 OH260017 1.831 1.993 3.399 + 1790TIP3 H160018 1.772 1.961 3.329 + 1790TIP3 H260019 1.913 2.009 3.348 + 1790TIP3 OH260020 2.260 1.933 4.207 + 1790TIP3 H160021 2.310 1.913 4.126 + 1790TIP3 H260022 2.275 1.850 4.256 + 1790TIP3 OH260023 1.801 1.605 3.788 + 1790TIP3 H160024 1.746 1.526 3.799 + 1790TIP3 H260025 1.881 1.569 3.748 + 1790TIP3 OH260026 2.172 2.455 3.581 + 1790TIP3 H160027 2.101 2.398 3.544 + 1790TIP3 H260028 2.161 2.444 3.677 + 1790TIP3 OH260029 2.596 1.734 3.355 + 1790TIP3 H160030 2.499 1.721 3.361 + 1790TIP3 H260031 2.614 1.798 3.426 + 1790TIP3 OH260032 2.663 1.913 3.561 + 1790TIP3 H160033 2.749 1.897 3.605 + 1790TIP3 H260034 2.677 2.000 3.519 + 1790TIP3 OH260035 1.680 2.364 4.172 + 1790TIP3 H160036 1.735 2.369 4.092 + 1790TIP3 H260037 1.704 2.279 4.209 + 1791TIP3 OH260038 2.420 2.585 3.476 + 1791TIP3 H160039 2.391 2.670 3.516 + 1791TIP3 H260040 2.346 2.526 3.501 + 1791TIP3 OH260041 3.124 1.910 3.536 + 1791TIP3 H160042 3.066 1.893 3.459 + 1791TIP3 H260043 3.136 2.006 3.525 + 1791TIP3 OH260044 2.956 2.784 3.553 + 1791TIP3 H160045 2.919 2.714 3.611 + 1791TIP3 H260046 2.997 2.732 3.483 + 1791TIP3 OH260047 2.648 2.325 4.238 + 1791TIP3 H160048 2.581 2.287 4.295 + 1791TIP3 H260049 2.691 2.246 4.199 + 1791TIP3 OH260050 1.931 2.714 3.877 + 1791TIP3 H160051 1.971 2.803 3.872 + 1791TIP3 H260052 1.838 2.733 3.862 + 1791TIP3 OH260053 1.530 2.195 3.352 + 1791TIP3 H160054 1.588 2.262 3.391 + 1791TIP3 H260055 1.442 2.223 3.383 + 1791TIP3 OH260056 2.114 2.486 3.874 + 1791TIP3 H160057 2.079 2.576 3.862 + 1791TIP3 H260058 2.034 2.436 3.894 + 1791TIP3 OH260059 1.975 3.006 3.813 + 1791TIP3 H160060 1.879 3.021 3.820 + 1791TIP3 H260061 2.010 3.094 3.839 + 1791TIP3 OH260062 2.694 2.627 3.341 + 1791TIP3 H160063 2.729 2.569 3.412 + 1791TIP3 H260064 2.600 2.607 3.352 + 1791TIP3 OH260065 3.123 3.075 3.394 + 1791TIP3 H160066 3.211 3.094 3.357 + 1791TIP3 H260067 3.113 3.158 3.442 + 1792TIP3 OH260068 2.787 2.481 3.573 + 1792TIP3 H160069 2.755 2.408 3.629 + 1792TIP3 H260070 2.883 2.475 3.586 + 1792TIP3 OH260071 2.116 2.722 3.198 + 1792TIP3 H160072 2.134 2.646 3.139 + 1792TIP3 H260073 2.068 2.677 3.270 + 1792TIP3 OH260074 1.994 2.673 3.467 + 1792TIP3 H160075 2.047 2.617 3.526 + 1792TIP3 H260076 2.011 2.763 3.500 + 1792TIP3 OH260077 1.682 2.416 3.506 + 1792TIP3 H160078 1.608 2.454 3.557 + 1792TIP3 H260079 1.728 2.496 3.475 + 1792TIP3 OH260080 2.499 1.593 3.617 + 1792TIP3 H160081 2.535 1.671 3.575 + 1792TIP3 H260082 2.503 1.613 3.713 + 1792TIP3 OH260083 2.296 2.842 3.529 + 1792TIP3 H160084 2.209 2.882 3.544 + 1792TIP3 H260085 2.321 2.876 3.442 + 1792TIP3 OH260086 2.245 1.812 3.732 + 1792TIP3 H160087 2.332 1.853 3.747 + 1792TIP3 H260088 2.228 1.775 3.821 + 1792TIP3 OH260089 2.016 2.942 3.529 + 1792TIP3 H160090 2.004 3.022 3.473 + 1792TIP3 H260091 1.998 2.977 3.618 + 1792TIP3 OH260092 1.886 1.609 3.475 + 1792TIP3 H160093 1.888 1.684 3.537 + 1792TIP3 H260094 1.966 1.560 3.503 + 1792TIP3 OH260095 2.757 2.087 4.142 + 1792TIP3 H160096 2.683 2.036 4.104 + 1792TIP3 H260097 2.816 2.013 4.172 + 1793TIP3 OH260098 1.724 2.697 3.379 + 1793TIP3 H160099 1.799 2.743 3.420 + 1793TIP3 H260100 1.771 2.646 3.312 + 1793TIP3 OH260101 1.537 1.914 3.296 + 1793TIP3 H160102 1.549 2.009 3.316 + 1793TIP3 H260103 1.452 1.914 3.249 + 1793TIP3 OH260104 2.890 3.068 4.315 + 1793TIP3 H160105 2.828 3.047 4.245 + 1793TIP3 H260106 2.975 3.032 4.286 + 1793TIP3 OH260107 1.621 1.417 4.173 + 1793TIP3 H160108 1.611 1.417 4.076 + 1793TIP3 H260109 1.596 1.326 4.196 + 1793TIP3 OH260110 1.520 2.767 3.800 + 1793TIP3 H160111 1.442 2.819 3.824 + 1793TIP3 H260112 1.557 2.820 3.727 + 1793TIP3 OH260113 2.336 2.888 3.247 + 1793TIP3 H160114 2.257 2.831 3.235 + 1793TIP3 H260115 2.403 2.829 3.207 + 1793TIP3 OH260116 2.819 2.881 3.267 + 1793TIP3 H160117 2.805 2.791 3.305 + 1793TIP3 H260118 2.872 2.861 3.188 + 1793TIP3 OH260119 1.877 2.468 3.228 + 1793TIP3 H160120 1.893 2.403 3.299 + 1793TIP3 H260121 1.960 2.459 3.177 + 1793TIP3 OH260122 2.408 2.601 3.191 + 1793TIP3 H160123 2.394 2.587 3.287 + 1793TIP3 H260124 2.397 2.508 3.160 + 1793TIP3 OH260125 1.990 2.270 3.466 + 1793TIP3 H160126 1.925 2.218 3.515 + 1793TIP3 H260127 2.017 2.206 3.398 + 1794TIP3 OH260128 2.081 2.076 3.287 + 1794TIP3 H160129 2.076 2.082 3.189 + 1794TIP3 H260130 2.177 2.070 3.301 + 1794TIP3 OH260131 3.030 2.327 3.218 + 1794TIP3 H160132 3.021 2.280 3.134 + 1794TIP3 H260133 3.024 2.420 3.189 + 1794TIP3 OH260134 2.057 3.198 3.398 + 1794TIP3 H160135 2.152 3.211 3.404 + 1794TIP3 H260136 2.039 3.239 3.312 + 1794TIP3 OH260137 1.448 2.636 3.351 + 1794TIP3 H160138 1.544 2.655 3.362 + 1794TIP3 H260139 1.450 2.558 3.292 + 1794TIP3 OH260140 1.352 3.154 3.821 + 1794TIP3 H160141 1.277 3.118 3.769 + 1794TIP3 H260142 1.359 3.088 3.893 + 1794TIP3 OH260143 1.388 2.956 4.019 + 1794TIP3 H160144 1.360 2.867 4.047 + 1794TIP3 H260145 1.413 2.992 4.106 + 1794TIP3 OH260146 3.165 3.099 4.273 + 1794TIP3 H160147 3.145 3.085 4.367 + 1794TIP3 H260148 3.262 3.097 4.276 + 1794TIP3 OH260149 3.073 2.463 3.613 + 1794TIP3 H160150 3.163 2.493 3.632 + 1794TIP3 H260151 3.061 2.398 3.685 + 1794TIP3 OH260152 3.119 2.258 3.812 + 1794TIP3 H160153 3.050 2.202 3.854 + 1794TIP3 H260154 3.186 2.267 3.884 + 1794TIP3 OH260155 3.087 2.490 4.327 + 1794TIP3 H160156 3.152 2.438 4.278 + 1794TIP3 H260157 3.095 2.578 4.289 + 1795TIP3 OH260158 3.145 2.203 3.468 + 1795TIP3 H160159 3.091 2.231 3.391 + 1795TIP3 H260160 3.130 2.277 3.529 + 1795TIP3 OH260161 2.971 1.959 3.294 + 1795TIP3 H160162 2.996 2.017 3.220 + 1795TIP3 H260163 2.945 1.877 3.249 + 1795TIP3 OH260164 2.909 2.071 3.893 + 1795TIP3 H160165 2.901 1.976 3.876 + 1795TIP3 H260166 2.871 2.079 3.982 + 1795TIP3 OH260167 1.394 2.253 4.261 + 1795TIP3 H160168 1.427 2.284 4.175 + 1795TIP3 H260169 1.473 2.258 4.318 + 1795TIP3 OH260170 2.918 1.692 3.213 + 1795TIP3 H160171 2.973 1.644 3.277 + 1795TIP3 H260172 2.835 1.642 3.212 + 1795TIP3 OH260173 2.901 1.821 3.707 + 1795TIP3 H160174 2.922 1.726 3.714 + 1795TIP3 H260175 2.983 1.854 3.666 + 1795TIP3 OH260176 2.920 1.892 4.221 + 1795TIP3 H160177 3.015 1.883 4.238 + 1795TIP3 H260178 2.881 1.863 4.305 + 1795TIP3 OH260179 2.944 1.540 3.710 + 1795TIP3 H160180 2.941 1.508 3.801 + 1795TIP3 H260181 2.864 1.495 3.674 + 1795TIP3 OH260182 1.467 1.672 4.194 + 1795TIP3 H160183 1.495 1.579 4.201 + 1795TIP3 H260184 1.531 1.712 4.255 + 1795TIP3 OH260185 1.313 1.958 4.304 + 1795TIP3 H160186 1.352 1.921 4.223 + 1795TIP3 H260187 1.339 2.052 4.297 + 1796TIP3 OH260188 3.141 1.591 3.374 + 1796TIP3 H160189 3.172 1.510 3.330 + 1796TIP3 H260190 3.223 1.642 3.383 + 1796TIP3 OH260191 1.365 1.566 3.696 + 1796TIP3 H160192 1.271 1.567 3.671 + 1796TIP3 H260193 1.407 1.623 3.629 + 1796TIP3 OH260194 2.828 3.091 3.908 + 1796TIP3 H160195 2.871 3.069 3.823 + 1796TIP3 H260196 2.900 3.135 3.954 + 1796TIP3 OH260197 1.531 2.990 4.263 + 1796TIP3 H160198 1.568 2.997 4.354 + 1796TIP3 H260199 1.615 2.974 4.214 + 1796TIP3 OH260200 1.753 2.906 4.116 + 1796TIP3 H160201 1.742 2.812 4.141 + 1796TIP3 H260202 1.844 2.924 4.147 + 1796TIP3 OH260203 2.018 2.953 4.213 + 1796TIP3 H160204 2.055 2.868 4.185 + 1796TIP3 H260205 2.033 2.950 4.308 + 1796TIP3 OH260206 2.816 1.374 4.145 + 1796TIP3 H160207 2.898 1.404 4.102 + 1796TIP3 H260208 2.749 1.385 4.075 + 1796TIP3 OH260209 3.069 1.453 3.979 + 1796TIP3 H160210 3.131 1.419 3.913 + 1796TIP3 H260211 3.086 1.549 3.978 + 1796TIP3 OH260212 1.594 1.416 3.889 + 1796TIP3 H160213 1.508 1.402 3.845 + 1796TIP3 H260214 1.637 1.329 3.874 + 1796TIP3 OH260215 1.477 1.364 3.477 + 1796TIP3 H160216 1.528 1.430 3.426 + 1796TIP3 H260217 1.436 1.419 3.545 + 1797TIP3 OH260218 2.054 1.410 3.893 + 1797TIP3 H160219 2.149 1.424 3.879 + 1797TIP3 H260220 2.055 1.377 3.983 + 1797TIP3 OH260221 2.711 1.407 3.606 + 1797TIP3 H160222 2.628 1.459 3.607 + 1797TIP3 H260223 2.679 1.323 3.643 + 1797TIP3 OH260224 1.495 2.960 3.594 + 1797TIP3 H160225 1.432 2.947 3.522 + 1797TIP3 H260226 1.492 3.056 3.602 + 1797TIP3 OH260227 1.649 1.547 3.322 + 1797TIP3 H160228 1.708 1.491 3.270 + 1797TIP3 H260229 1.709 1.579 3.391 + 1797TIP3 OH260230 2.153 1.564 3.589 + 1797TIP3 H160231 2.192 1.496 3.646 + 1797TIP3 H260232 2.186 1.646 3.630 + 1797TIP3 OH260233 2.365 3.152 3.392 + 1797TIP3 H160234 2.460 3.138 3.402 + 1797TIP3 H260235 2.340 3.076 3.337 + 1797TIP3 OH260236 2.996 3.060 3.667 + 1797TIP3 H160237 2.981 2.974 3.621 + 1797TIP3 H260238 2.999 3.122 3.593 + 1797TIP3 OH260239 1.639 3.056 3.273 + 1797TIP3 H160240 1.614 3.082 3.363 + 1797TIP3 H260241 1.714 2.997 3.287 + 1797TIP3 OH260242 4.267 2.212 4.209 + 1797TIP3 H160243 4.252 2.169 4.294 + 1797TIP3 H260244 4.220 2.154 4.147 + 1797TIP3 OH260245 3.583 2.650 4.246 + 1797TIP3 H160246 3.558 2.558 4.224 + 1797TIP3 H260247 3.680 2.636 4.254 + 1798TIP3 OH260248 3.281 2.001 3.776 + 1798TIP3 H160249 3.236 2.087 3.787 + 1798TIP3 H260250 3.210 1.945 3.744 + 1798TIP3 OH260251 3.355 2.235 3.974 + 1798TIP3 H160252 3.376 2.157 4.029 + 1798TIP3 H260253 3.438 2.247 3.927 + 1798TIP3 OH260254 4.063 2.428 4.283 + 1798TIP3 H160255 4.116 2.385 4.214 + 1798TIP3 H260256 4.136 2.477 4.327 + 1798TIP3 OH260257 3.741 1.716 4.041 + 1798TIP3 H160258 3.753 1.803 3.998 + 1798TIP3 H260259 3.705 1.666 3.965 + 1798TIP3 OH260260 3.436 1.986 4.099 + 1798TIP3 H160261 3.476 1.919 4.156 + 1798TIP3 H260262 3.433 1.939 4.014 + 1798TIP3 OH260263 3.944 2.124 4.053 + 1798TIP3 H160264 4.015 2.063 4.081 + 1798TIP3 H260265 3.894 2.066 3.993 + 1798TIP3 OH260266 3.664 1.809 4.300 + 1798TIP3 H160267 3.646 1.901 4.280 + 1798TIP3 H260268 3.656 1.765 4.214 + 1798TIP3 OH260269 3.348 2.545 3.626 + 1798TIP3 H160270 3.325 2.596 3.547 + 1798TIP3 H260271 3.364 2.614 3.694 + 1798TIP3 OH260272 4.035 1.354 4.176 + 1798TIP3 H160273 4.025 1.257 4.182 + 1798TIP3 H260274 3.954 1.385 4.220 + 1798TIP3 OH260275 4.266 2.230 3.631 + 1798TIP3 H160276 4.198 2.298 3.617 + 1798TIP3 H260277 4.330 2.254 3.564 + 1799TIP3 OH260278 4.291 2.078 3.351 + 1799TIP3 H160279 4.366 2.072 3.411 + 1799TIP3 H260280 4.295 1.997 3.299 + 1799TIP3 OH260281 3.758 2.321 3.927 + 1799TIP3 H160282 3.724 2.277 3.847 + 1799TIP3 H260283 3.820 2.254 3.962 + 1799TIP3 OH260284 3.855 2.632 4.155 + 1799TIP3 H160285 3.893 2.592 4.075 + 1799TIP3 H260286 3.932 2.643 4.213 + 1799TIP3 OH260287 3.790 2.185 4.281 + 1799TIP3 H160288 3.849 2.196 4.204 + 1799TIP3 H260289 3.815 2.259 4.339 + 1799TIP3 OH260290 4.249 2.842 3.846 + 1799TIP3 H160291 4.300 2.887 3.917 + 1799TIP3 H260292 4.200 2.916 3.808 + 1799TIP3 OH260293 3.651 2.193 3.680 + 1799TIP3 H160294 3.629 2.269 3.623 + 1799TIP3 H260295 3.584 2.129 3.654 + 1799TIP3 OH260296 3.270 2.739 4.232 + 1799TIP3 H160297 3.365 2.731 4.245 + 1799TIP3 H260298 3.249 2.815 4.288 + 1799TIP3 OH260299 4.166 3.128 3.684 + 1799TIP3 H160300 4.217 3.124 3.602 + 1799TIP3 H260301 4.206 3.202 3.732 + 1799TIP3 OH260302 3.573 3.031 3.863 + 1799TIP3 H160303 3.592 2.987 3.949 + 1799TIP3 H260304 3.488 2.991 3.840 + 1799TIP3 OH260305 3.790 1.444 4.290 + 1799TIP3 H160306 3.706 1.434 4.243 + 1799TIP3 H260307 3.794 1.540 4.308 + 1800TIP3 OH260308 4.233 1.678 3.349 + 1800TIP3 H160309 4.173 1.664 3.423 + 1800TIP3 H260310 4.201 1.611 3.287 + 1800TIP3 OH260311 3.777 1.952 3.884 + 1800TIP3 H160312 3.681 1.942 3.869 + 1800TIP3 H260313 3.810 1.929 3.795 + 1800TIP3 OH260314 4.279 1.999 3.833 + 1800TIP3 H160315 4.271 2.093 3.811 + 1800TIP3 H260316 4.371 1.992 3.864 + 1800TIP3 OH260317 3.865 1.717 3.235 + 1800TIP3 H160318 3.823 1.684 3.317 + 1800TIP3 H260319 3.787 1.736 3.180 + 1800TIP3 OH260320 3.210 1.719 3.939 + 1800TIP3 H160321 3.257 1.699 4.022 + 1800TIP3 H260322 3.251 1.661 3.873 + 1800TIP3 OH260323 3.360 1.747 3.512 + 1800TIP3 H160324 3.413 1.797 3.447 + 1800TIP3 H260325 3.290 1.812 3.532 + 1800TIP3 OH260326 4.045 1.696 3.986 + 1800TIP3 H160327 3.950 1.697 4.009 + 1800TIP3 H260328 4.085 1.698 4.073 + 1800TIP3 OH260329 3.511 1.834 3.852 + 1800TIP3 H160330 3.426 1.859 3.812 + 1800TIP3 H260331 3.535 1.753 3.803 + 1800TIP3 OH260332 3.874 1.860 3.618 + 1800TIP3 H160333 3.969 1.880 3.624 + 1800TIP3 H260334 3.843 1.922 3.549 + 1800TIP3 OH260335 3.723 1.988 3.398 + 1800TIP3 H160336 3.661 1.963 3.328 + 1800TIP3 H260337 3.803 2.004 3.346 + 1801TIP3 OH260338 4.131 1.944 4.152 + 1801TIP3 H160339 4.198 1.901 4.097 + 1801TIP3 H260340 4.150 1.906 4.240 + 1801TIP3 OH260341 3.685 1.604 3.784 + 1801TIP3 H160342 3.626 1.528 3.800 + 1801TIP3 H260343 3.763 1.561 3.747 + 1801TIP3 OH260344 4.069 2.437 3.585 + 1801TIP3 H160345 3.993 2.387 3.549 + 1801TIP3 H260346 4.047 2.444 3.681 + 1801TIP3 OH260347 3.563 2.355 4.173 + 1801TIP3 H160348 3.625 2.369 4.099 + 1801TIP3 H260349 3.609 2.285 4.223 + 1801TIP3 OH260350 4.287 2.574 3.483 + 1801TIP3 H160351 4.262 2.664 3.513 + 1801TIP3 H260352 4.210 2.523 3.515 + 1801TIP3 OH260353 3.816 2.713 3.865 + 1801TIP3 H160354 3.858 2.799 3.876 + 1801TIP3 H260355 3.722 2.736 3.867 + 1801TIP3 OH260356 3.415 2.195 3.350 + 1801TIP3 H160357 3.473 2.262 3.391 + 1801TIP3 H260358 3.328 2.220 3.386 + 1801TIP3 OH260359 3.994 2.482 3.857 + 1801TIP3 H160360 3.965 2.575 3.860 + 1801TIP3 H260361 3.916 2.436 3.891 + 1801TIP3 OH260362 3.860 3.008 3.792 + 1801TIP3 H160363 3.766 3.018 3.815 + 1801TIP3 H260364 3.899 3.088 3.832 + 1801TIP3 OH260365 3.993 2.733 3.203 + 1801TIP3 H160366 4.023 2.671 3.133 + 1801TIP3 H260367 3.960 2.671 3.269 + 1802TIP3 OH260368 3.876 2.677 3.484 + 1802TIP3 H160369 3.930 2.618 3.537 + 1802TIP3 H260370 3.911 2.764 3.507 + 1802TIP3 OH260371 3.565 2.414 3.504 + 1802TIP3 H160372 3.494 2.455 3.559 + 1802TIP3 H260373 3.615 2.493 3.477 + 1802TIP3 OH260374 4.170 2.832 3.521 + 1802TIP3 H160375 4.101 2.894 3.545 + 1802TIP3 H260376 4.212 2.874 3.445 + 1802TIP3 OH260377 4.141 1.795 3.726 + 1802TIP3 H160378 4.202 1.865 3.758 + 1802TIP3 H260379 4.101 1.772 3.812 + 1802TIP3 OH260380 4.191 1.505 3.844 + 1802TIP3 H160381 4.165 1.582 3.898 + 1802TIP3 H260382 4.271 1.538 3.799 + 1802TIP3 OH260383 3.890 2.989 3.513 + 1802TIP3 H160384 3.965 3.048 3.507 + 1802TIP3 H260385 3.874 2.989 3.610 + 1802TIP3 OH260386 3.769 1.610 3.472 + 1802TIP3 H160387 3.768 1.685 3.534 + 1802TIP3 H260388 3.849 1.562 3.498 + 1802TIP3 OH260389 3.611 2.701 3.378 + 1802TIP3 H160390 3.689 2.736 3.426 + 1802TIP3 H260391 3.657 2.647 3.312 + 1802TIP3 OH260392 3.424 1.915 3.293 + 1802TIP3 H160393 3.435 2.010 3.316 + 1802TIP3 H260394 3.336 1.914 3.253 + 1802TIP3 OH260395 3.516 1.413 4.170 + 1802TIP3 H160396 3.498 1.419 4.074 + 1802TIP3 H260397 3.473 1.330 4.195 + 1803TIP3 OH260398 3.401 2.765 3.795 + 1803TIP3 H160399 3.328 2.822 3.825 + 1803TIP3 H260400 3.444 2.821 3.728 + 1803TIP3 OH260401 4.228 2.887 3.242 + 1803TIP3 H160402 4.147 2.834 3.226 + 1803TIP3 H260403 4.293 2.821 3.214 + 1803TIP3 OH260404 3.757 2.471 3.234 + 1803TIP3 H160405 3.778 2.405 3.301 + 1803TIP3 H260406 3.838 2.465 3.178 + 1803TIP3 OH260407 4.261 2.600 3.188 + 1803TIP3 H160408 4.276 2.601 3.284 + 1803TIP3 H260409 4.242 2.506 3.172 + 1803TIP3 OH260410 3.872 2.269 3.462 + 1803TIP3 H160411 3.808 2.218 3.515 + 1803TIP3 H260412 3.901 2.202 3.398 + 1803TIP3 OH260413 3.979 2.070 3.288 + 1803TIP3 H160414 3.969 2.079 3.191 + 1803TIP3 H260415 4.074 2.088 3.299 + 1803TIP3 OH260416 3.333 2.641 3.345 + 1803TIP3 H160417 3.428 2.654 3.363 + 1803TIP3 H260418 3.334 2.557 3.293 + 1803TIP3 OH260419 3.238 3.144 3.810 + 1803TIP3 H160420 3.151 3.118 3.775 + 1803TIP3 H260421 3.244 3.087 3.889 + 1803TIP3 OH260422 3.274 2.955 4.018 + 1803TIP3 H160423 3.248 2.867 4.049 + 1803TIP3 H260424 3.301 2.992 4.104 + 1803TIP3 OH260425 3.280 2.257 4.262 + 1803TIP3 H160426 3.316 2.286 4.177 + 1803TIP3 H260427 3.359 2.256 4.319 + 1804TIP3 OH260428 3.355 1.674 4.193 + 1804TIP3 H160429 3.381 1.582 4.204 + 1804TIP3 H260430 3.412 1.717 4.258 + 1804TIP3 OH260431 3.197 1.959 4.304 + 1804TIP3 H160432 3.235 1.922 4.223 + 1804TIP3 H260433 3.223 2.053 4.297 + 1804TIP3 OH260434 3.251 1.561 3.694 + 1804TIP3 H160435 3.156 1.565 3.674 + 1804TIP3 H260436 3.290 1.623 3.628 + 1804TIP3 OH260437 3.418 2.994 4.261 + 1804TIP3 H160438 3.451 2.998 4.353 + 1804TIP3 H260439 3.502 2.974 4.215 + 1804TIP3 OH260440 3.640 2.904 4.112 + 1804TIP3 H160441 3.627 2.812 4.142 + 1804TIP3 H260442 3.729 2.923 4.148 + 1804TIP3 OH260443 3.900 2.950 4.213 + 1804TIP3 H160444 3.942 2.867 4.188 + 1804TIP3 H260445 3.921 2.954 4.307 + 1804TIP3 OH260446 4.268 1.521 4.133 + 1804TIP3 H160447 4.190 1.468 4.158 + 1804TIP3 H260448 4.298 1.476 4.054 + 1804TIP3 OH260449 3.482 1.417 3.886 + 1804TIP3 H160450 3.395 1.403 3.844 + 1804TIP3 H260451 3.522 1.329 3.873 + 1804TIP3 OH260452 3.364 1.364 3.477 + 1804TIP3 H160453 3.411 1.432 3.426 + 1804TIP3 H260454 3.320 1.417 3.546 + 1804TIP3 OH260455 3.935 1.393 3.885 + 1804TIP3 H160456 4.026 1.427 3.874 + 1804TIP3 H260457 3.931 1.385 3.981 + 1805TIP3 OH260458 3.381 2.960 3.583 + 1805TIP3 H160459 3.310 2.947 3.519 + 1805TIP3 H260460 3.371 3.054 3.605 + 1805TIP3 OH260461 3.533 1.548 3.319 + 1805TIP3 H160462 3.594 1.491 3.269 + 1805TIP3 H260463 3.591 1.581 3.389 + 1805TIP3 OH260464 4.068 1.566 3.577 + 1805TIP3 H160465 4.068 1.506 3.653 + 1805TIP3 H260466 4.058 1.652 3.620 + 1805TIP3 OH260467 4.232 3.138 3.391 + 1805TIP3 H160468 4.323 3.173 3.391 + 1805TIP3 H260469 4.237 3.068 3.324 + 1805TIP3 OH260470 3.530 3.062 3.276 + 1805TIP3 H160471 3.501 3.077 3.367 + 1805TIP3 H260472 3.590 2.987 3.286 + 1805TIP3 OH260473 -3.162 4.193 3.895 + 1805TIP3 H160474 -3.180 4.286 3.914 + 1805TIP3 H260475 -3.239 4.168 3.842 + 1805TIP3 OH260476 -3.301 4.120 4.252 + 1805TIP3 H160477 -3.277 4.045 4.308 + 1805TIP3 H260478 -3.286 4.086 4.163 + 1805TIP3 OH260479 -4.216 3.905 3.664 + 1805TIP3 H160480 -4.245 3.990 3.699 + 1805TIP3 H260481 -4.300 3.858 3.656 + 1805TIP3 OH260482 -4.194 4.118 3.958 + 1805TIP3 H160483 -4.185 4.046 4.023 + 1805TIP3 H260484 -4.102 4.129 3.932 + 1805TIP3 OH260485 -3.119 3.817 4.323 + 1805TIP3 H160486 -3.075 3.732 4.342 + 1805TIP3 H260487 -3.111 3.823 4.226 + 1806TIP3 OH260488 -3.800 3.601 4.038 + 1806TIP3 H160489 -3.788 3.688 3.997 + 1806TIP3 H260490 -3.840 3.550 3.965 + 1806TIP3 OH260491 -3.017 3.623 3.865 + 1806TIP3 H160492 -2.965 3.583 3.938 + 1806TIP3 H260493 -2.947 3.668 3.817 + 1806TIP3 OH260494 -4.121 3.872 4.096 + 1806TIP3 H160495 -4.082 3.822 4.168 + 1806TIP3 H260496 -4.105 3.813 4.020 + 1806TIP3 OH260497 -3.601 4.013 4.058 + 1806TIP3 H160498 -3.528 3.954 4.086 + 1806TIP3 H260499 -3.650 3.955 3.997 + 1806TIP3 OH260500 -2.843 3.565 4.067 + 1806TIP3 H160501 -2.844 3.475 4.107 + 1806TIP3 H260502 -2.791 3.612 4.135 + 1806TIP3 OH260503 -3.863 3.711 4.296 + 1806TIP3 H160504 -3.909 3.793 4.278 + 1806TIP3 H260505 -3.893 3.651 4.226 + 1806TIP3 OH260506 -3.508 3.240 4.178 + 1806TIP3 H160507 -3.517 3.144 4.183 + 1806TIP3 H260508 -3.592 3.269 4.220 + 1806TIP3 OH260509 -3.309 4.144 3.636 + 1806TIP3 H160510 -3.372 4.180 3.573 + 1806TIP3 H260511 -3.230 4.133 3.580 + 1806TIP3 OH260512 -3.267 3.943 3.353 + 1806TIP3 H160513 -3.195 3.978 3.408 + 1806TIP3 H260514 -3.217 3.892 3.288 + 1806TIP3 OH260515 -2.937 4.141 3.738 + 1806TIP3 H160516 -3.003 4.162 3.807 + 1806TIP3 H260517 -2.871 4.090 3.789 + 1807TIP3 OH260518 -3.794 4.211 3.934 + 1807TIP3 H160519 -3.807 4.182 3.842 + 1807TIP3 H260520 -3.712 4.163 3.958 + 1807TIP3 OH260521 -3.766 4.104 4.281 + 1807TIP3 H160522 -3.697 4.080 4.217 + 1807TIP3 H260523 -3.715 4.136 4.357 + 1807TIP3 OH260524 -3.055 4.073 3.501 + 1807TIP3 H160525 -2.999 4.101 3.578 + 1807TIP3 H260526 -3.008 4.119 3.427 + 1807TIP3 OH260527 -2.706 3.246 3.443 + 1807TIP3 H160528 -2.793 3.256 3.486 + 1807TIP3 H260529 -2.670 3.336 3.450 + 1807TIP3 OH260530 -3.899 4.089 3.682 + 1807TIP3 H160531 -3.914 4.165 3.622 + 1807TIP3 H260532 -3.959 4.022 3.647 + 1807TIP3 OH260533 -3.747 3.330 4.284 + 1807TIP3 H160534 -3.834 3.308 4.246 + 1807TIP3 H260535 -3.764 3.421 4.315 + 1807TIP3 OH260536 -2.916 4.176 3.295 + 1807TIP3 H160537 -2.921 4.159 3.200 + 1807TIP3 H260538 -2.828 4.216 3.303 + 1807TIP3 OH260539 -3.329 3.557 3.345 + 1807TIP3 H160540 -3.378 3.546 3.427 + 1807TIP3 H260541 -3.371 3.489 3.289 + 1807TIP3 OH260542 -3.768 3.836 3.882 + 1807TIP3 H160543 -3.863 3.830 3.865 + 1807TIP3 H260544 -3.732 3.815 3.794 + 1807TIP3 OH260545 -3.207 3.898 3.764 + 1807TIP3 H160546 -3.251 3.975 3.725 + 1807TIP3 H260547 -3.139 3.878 3.697 + 1808TIP3 OH260548 -3.128 3.832 4.042 + 1808TIP3 H160549 -3.154 3.886 3.965 + 1808TIP3 H260550 -3.105 3.749 3.997 + 1808TIP3 OH260551 -3.685 3.598 3.236 + 1808TIP3 H160552 -3.723 3.565 3.319 + 1808TIP3 H260553 -3.764 3.621 3.185 + 1808TIP3 OH260554 -4.318 3.604 3.930 + 1808TIP3 H160555 -4.307 3.590 4.026 + 1808TIP3 H260556 -4.267 3.532 3.895 + 1808TIP3 OH260557 -4.212 3.642 3.519 + 1808TIP3 H160558 -4.148 3.674 3.452 + 1808TIP3 H260559 -4.283 3.705 3.505 + 1808TIP3 OH260560 -3.500 3.599 3.984 + 1808TIP3 H160561 -3.592 3.588 4.012 + 1808TIP3 H260562 -3.452 3.572 4.064 + 1808TIP3 OH260563 -4.040 3.721 3.847 + 1808TIP3 H160564 -4.114 3.736 3.786 + 1808TIP3 H260565 -4.003 3.638 3.814 + 1808TIP3 OH260566 -3.671 3.748 3.619 + 1808TIP3 H160567 -3.575 3.757 3.627 + 1808TIP3 H260568 -3.695 3.810 3.549 + 1808TIP3 OH260569 -3.057 3.460 4.282 + 1808TIP3 H160570 -3.093 3.495 4.365 + 1808TIP3 H260571 -3.131 3.468 4.220 + 1808TIP3 OH260572 -3.825 3.878 3.399 + 1808TIP3 H160573 -3.882 3.846 3.327 + 1808TIP3 H260574 -3.743 3.896 3.350 + 1808TIP3 OH260575 -3.404 3.833 4.189 + 1808TIP3 H160576 -3.328 3.803 4.135 + 1808TIP3 H260577 -3.399 3.772 4.264 + 1809TIP3 OH260578 -3.875 3.487 3.789 + 1809TIP3 H160579 -3.915 3.400 3.801 + 1809TIP3 H260580 -3.790 3.464 3.747 + 1809TIP3 OH260581 -3.523 4.366 3.605 + 1809TIP3 H160582 -3.560 4.298 3.545 + 1809TIP3 H260583 -3.469 4.317 3.668 + 1809TIP3 OH260584 -3.060 3.619 3.354 + 1809TIP3 H160585 -3.159 3.614 3.355 + 1809TIP3 H260586 -3.042 3.688 3.422 + 1809TIP3 OH260587 -2.993 3.796 3.563 + 1809TIP3 H160588 -2.907 3.781 3.606 + 1809TIP3 H260589 -2.982 3.885 3.526 + 1809TIP3 OH260590 -3.968 4.213 4.148 + 1809TIP3 H160591 -3.899 4.231 4.080 + 1809TIP3 H260592 -3.911 4.162 4.210 + 1809TIP3 OH260593 -2.534 3.796 3.537 + 1809TIP3 H160594 -2.591 3.779 3.459 + 1809TIP3 H260595 -2.522 3.892 3.526 + 1809TIP3 OH260596 -3.022 4.216 4.221 + 1809TIP3 H160597 -3.095 4.185 4.277 + 1809TIP3 H260598 -2.970 4.136 4.202 + 1809TIP3 OH260599 -4.166 4.093 3.371 + 1809TIP3 H160600 -4.088 4.143 3.399 + 1809TIP3 H260601 -4.232 4.165 3.371 + 1809TIP3 OH260602 -3.958 -4.391 3.525 + 1809TIP3 H160603 -4.051 -4.359 3.528 + 1809TIP3 H260604 -3.911 -4.310 3.501 + 1809TIP3 OH260605 -3.143 3.491 3.632 + 1809TIP3 H160606 -3.127 3.549 3.556 + 1809TIP3 H260607 -3.101 3.542 3.704 + 1810TIP3 OH260608 -3.405 3.694 3.727 + 1810TIP3 H160609 -3.328 3.751 3.745 + 1810TIP3 H260610 -3.436 3.672 3.817 + 1810TIP3 OH260611 -3.351 3.393 3.816 + 1810TIP3 H160612 -3.362 3.453 3.893 + 1810TIP3 H260613 -3.273 3.432 3.773 + 1810TIP3 OH260614 -3.774 3.496 3.479 + 1810TIP3 H160615 -3.767 3.575 3.535 + 1810TIP3 H260616 -3.693 3.448 3.505 + 1810TIP3 OH260617 -2.895 3.970 4.134 + 1810TIP3 H160618 -2.974 3.920 4.107 + 1810TIP3 H260619 -2.837 3.898 4.170 + 1810TIP3 OH260620 -4.117 3.797 3.298 + 1810TIP3 H160621 -4.105 3.891 3.319 + 1810TIP3 H260622 -4.199 3.794 3.247 + 1810TIP3 OH260623 -4.013 3.269 4.161 + 1810TIP3 H160624 -4.063 3.297 4.083 + 1810TIP3 H260625 -4.080 3.227 4.217 + 1810TIP3 OH260626 -3.659 4.161 3.459 + 1810TIP3 H160627 -3.727 4.120 3.514 + 1810TIP3 H260628 -3.646 4.093 3.390 + 1810TIP3 OH260629 -3.578 3.956 3.283 + 1810TIP3 H160630 -3.581 3.972 3.187 + 1810TIP3 H260631 -3.483 3.956 3.300 + 1810TIP3 OH260632 -2.648 4.189 3.206 + 1810TIP3 H160633 -2.658 4.185 3.109 + 1810TIP3 H260634 -2.646 4.285 3.225 + 1810TIP3 OH260635 -2.569 4.358 3.642 + 1810TIP3 H160636 -2.473 4.362 3.633 + 1810TIP3 H260637 -2.584 4.279 3.695 + 1811TIP3 OH260638 -2.528 4.132 3.812 + 1811TIP3 H160639 -2.608 4.091 3.851 + 1811TIP3 H260640 -2.473 4.151 3.890 + 1811TIP3 OH260641 -2.512 4.094 3.461 + 1811TIP3 H160642 -2.576 4.117 3.391 + 1811TIP3 H260643 -2.526 4.166 3.524 + 1811TIP3 OH260644 -2.686 3.843 3.295 + 1811TIP3 H160645 -2.666 3.907 3.226 + 1811TIP3 H260646 -2.709 3.762 3.245 + 1811TIP3 OH260647 -2.759 3.966 3.885 + 1811TIP3 H160648 -2.760 3.869 3.874 + 1811TIP3 H260649 -2.791 3.976 3.977 + 1811TIP3 OH260650 -4.235 4.171 4.280 + 1811TIP3 H160651 -4.220 4.188 4.186 + 1811TIP3 H260652 -4.146 4.152 4.311 + 1811TIP3 OH260653 -2.739 3.577 3.212 + 1811TIP3 H160654 -2.682 3.530 3.276 + 1811TIP3 H260655 -2.821 3.525 3.213 + 1811TIP3 OH260656 -2.759 3.707 3.709 + 1811TIP3 H160657 -2.735 3.612 3.717 + 1811TIP3 H260658 -2.677 3.742 3.669 + 1811TIP3 OH260659 -2.734 3.778 4.222 + 1811TIP3 H160660 -2.639 3.772 4.240 + 1811TIP3 H260661 -2.773 3.748 4.306 + 1811TIP3 OH260662 -2.711 3.426 3.706 + 1811TIP3 H160663 -2.703 3.396 3.799 + 1811TIP3 H260664 -2.792 3.379 3.678 + 1811TIP3 OH260665 -4.166 3.573 4.193 + 1811TIP3 H160666 -4.187 3.484 4.222 + 1811TIP3 H260667 -4.111 3.601 4.267 + 1812TIP3 OH260668 -4.352 3.825 4.315 + 1812TIP3 H160669 -4.306 3.783 4.241 + 1812TIP3 H260670 -4.308 3.911 4.321 + 1812TIP3 OH260671 -2.516 3.476 3.373 + 1812TIP3 H160672 -2.484 3.395 3.329 + 1812TIP3 H260673 -2.435 3.528 3.383 + 1812TIP3 OH260674 -4.312 3.425 3.643 + 1812TIP3 H160675 -4.397 3.468 3.629 + 1812TIP3 H260676 -4.252 3.497 3.611 + 1812TIP3 OH260677 -3.301 3.439 4.124 + 1812TIP3 H160678 -3.360 3.367 4.153 + 1812TIP3 H260679 -3.231 3.389 4.077 + 1812TIP3 OH260680 -2.806 3.313 4.147 + 1812TIP3 H160681 -2.722 3.268 4.130 + 1812TIP3 H260682 -2.874 3.249 4.125 + 1812TIP3 OH260683 -2.587 3.341 3.956 + 1812TIP3 H160684 -2.512 3.306 3.905 + 1812TIP3 H260685 -2.561 3.433 3.974 + 1812TIP3 OH260686 -4.112 3.291 3.881 + 1812TIP3 H160687 -4.180 3.249 3.827 + 1812TIP3 H260688 -4.043 3.222 3.883 + 1812TIP3 OH260689 -4.198 3.246 3.463 + 1812TIP3 H160690 -4.139 3.308 3.415 + 1812TIP3 H260691 -4.237 3.307 3.529 + 1812TIP3 OH260692 -3.612 3.276 3.890 + 1812TIP3 H160693 -3.523 3.313 3.874 + 1812TIP3 H260694 -3.612 3.270 3.987 + 1812TIP3 OH260695 -3.081 3.293 3.998 + 1812TIP3 H160696 -3.030 3.267 3.921 + 1812TIP3 H260697 -3.099 3.208 4.041 + 1813TIP3 OH260698 -2.944 3.287 3.614 + 1813TIP3 H160699 -3.025 3.341 3.605 + 1813TIP3 H260700 -2.981 3.199 3.631 + 1813TIP3 OH260701 -4.007 3.432 3.324 + 1813TIP3 H160702 -3.946 3.379 3.270 + 1813TIP3 H260703 -3.946 3.466 3.392 + 1813TIP3 OH260704 -3.500 3.450 3.583 + 1813TIP3 H160705 -3.463 3.395 3.654 + 1813TIP3 H260706 -3.480 3.538 3.619 + 1813TIP3 OH260707 -1.421 4.115 4.244 + 1813TIP3 H160708 -1.385 4.048 4.303 + 1813TIP3 H260709 -1.397 4.083 4.156 + 1813TIP3 OH260710 -2.375 3.888 3.776 + 1813TIP3 H160711 -2.421 3.973 3.787 + 1813TIP3 H260712 -2.447 3.831 3.744 + 1813TIP3 OH260713 -2.287 4.129 3.973 + 1813TIP3 H160714 -2.283 4.054 4.036 + 1813TIP3 H260715 -2.205 4.113 3.924 + 1813TIP3 OH260716 -1.252 3.812 4.299 + 1813TIP3 H160717 -1.196 3.738 4.327 + 1813TIP3 H260718 -1.221 3.831 4.208 + 1813TIP3 OH260719 -1.881 3.596 4.036 + 1813TIP3 H160720 -1.866 3.685 3.999 + 1813TIP3 H260721 -1.927 3.552 3.962 + 1813TIP3 OH260722 -1.130 3.593 3.851 + 1813TIP3 H160723 -1.082 3.579 3.934 + 1813TIP3 H260724 -1.113 3.687 3.836 + 1813TIP3 OH260725 -2.224 3.870 4.101 + 1813TIP3 H160726 -2.182 3.809 4.162 + 1813TIP3 H260727 -2.221 3.820 4.017 + 1814TIP3 OH260728 -1.717 4.012 4.063 + 1814TIP3 H160729 -1.638 3.958 4.081 + 1814TIP3 H260730 -1.763 3.958 3.998 + 1814TIP3 OH260731 -0.958 3.551 4.073 + 1814TIP3 H160732 -0.957 3.471 4.129 + 1814TIP3 H260733 -0.905 3.611 4.129 + 1814TIP3 OH260734 -2.001 3.687 4.282 + 1814TIP3 H160735 -2.001 3.783 4.268 + 1814TIP3 H260736 -1.992 3.651 4.192 + 1814TIP3 OH260737 -1.623 3.254 4.147 + 1814TIP3 H160738 -1.604 3.162 4.173 + 1814TIP3 H260739 -1.695 3.276 4.210 + 1814TIP3 OH260740 -1.445 4.095 3.596 + 1814TIP3 H160741 -1.482 4.186 3.597 + 1814TIP3 H260742 -1.352 4.111 3.615 + 1814TIP3 OH260743 -1.371 3.944 3.328 + 1814TIP3 H160744 -1.342 3.982 3.414 + 1814TIP3 H260745 -1.288 3.910 3.297 + 1814TIP3 OH260746 -1.060 4.156 3.740 + 1814TIP3 H160747 -1.123 4.172 3.812 + 1814TIP3 H260748 -0.994 4.102 3.787 + 1814TIP3 OH260749 -1.914 4.207 3.936 + 1814TIP3 H160750 -1.922 4.180 3.843 + 1814TIP3 H260751 -1.827 4.172 3.959 + 1814TIP3 OH260752 -1.878 4.085 4.286 + 1814TIP3 H160753 -1.811 4.081 4.214 + 1814TIP3 H260754 -1.837 4.145 4.350 + 1814TIP3 OH260755 -1.150 4.050 3.503 + 1814TIP3 H160756 -1.110 4.088 3.585 + 1814TIP3 H260757 -1.109 4.108 3.434 + 1815TIP3 OH260758 -0.822 3.248 3.443 + 1815TIP3 H160759 -0.906 3.258 3.490 + 1815TIP3 H260760 -0.784 3.337 3.450 + 1815TIP3 OH260761 -2.009 4.088 3.678 + 1815TIP3 H160762 -2.026 4.167 3.623 + 1815TIP3 H260763 -2.076 4.026 3.648 + 1815TIP3 OH260764 -1.860 3.330 4.286 + 1815TIP3 H160765 -1.947 3.319 4.245 + 1815TIP3 H260766 -1.858 3.424 4.310 + 1815TIP3 OH260767 -1.035 4.182 3.293 + 1815TIP3 H160768 -1.027 4.152 3.201 + 1815TIP3 H260769 -0.947 4.221 3.309 + 1815TIP3 OH260770 -1.428 3.556 3.333 + 1815TIP3 H160771 -1.463 3.557 3.423 + 1815TIP3 H260772 -1.478 3.481 3.294 + 1815TIP3 OH260773 -1.879 3.836 3.883 + 1815TIP3 H160774 -1.975 3.827 3.870 + 1815TIP3 H260775 -1.847 3.820 3.793 + 1815TIP3 OH260776 -1.787 3.600 3.234 + 1815TIP3 H160777 -1.829 3.569 3.316 + 1815TIP3 H260778 -1.863 3.623 3.179 + 1815TIP3 OH260779 -2.451 3.599 3.941 + 1815TIP3 H160780 -2.398 3.589 4.022 + 1815TIP3 H260781 -2.401 3.549 3.875 + 1815TIP3 OH260782 -2.298 3.633 3.513 + 1815TIP3 H160783 -2.244 3.682 3.448 + 1815TIP3 H260784 -2.367 3.698 3.532 + 1815TIP3 OH260785 -2.147 3.716 3.856 + 1815TIP3 H160786 -2.229 3.745 3.813 + 1815TIP3 H260787 -2.121 3.637 3.806 + 1816TIP3 OH260788 -1.772 3.745 3.617 + 1816TIP3 H160789 -1.680 3.773 3.629 + 1816TIP3 H260790 -1.806 3.809 3.551 + 1816TIP3 OH260791 -1.218 3.436 4.277 + 1816TIP3 H160792 -1.220 3.497 4.352 + 1816TIP3 H260793 -1.234 3.492 4.201 + 1816TIP3 OH260794 -1.939 3.868 3.400 + 1816TIP3 H160795 -1.995 3.845 3.324 + 1816TIP3 H260796 -1.857 3.896 3.355 + 1816TIP3 OH260797 -1.522 3.810 4.162 + 1816TIP3 H160798 -1.436 3.819 4.115 + 1816TIP3 H260799 -1.494 3.778 4.249 + 1816TIP3 OH260800 -1.965 3.484 3.789 + 1816TIP3 H160801 -2.033 3.413 3.797 + 1816TIP3 H260802 -1.913 3.455 3.714 + 1816TIP3 OH260803 -1.587 4.327 3.593 + 1816TIP3 H160804 -1.662 4.292 3.541 + 1816TIP3 H260805 -1.625 4.338 3.681 + 1816TIP3 OH260806 -1.130 3.761 3.514 + 1816TIP3 H160807 -1.057 3.747 3.577 + 1816TIP3 H260808 -1.136 3.858 3.515 + 1816TIP3 OH260809 -2.065 4.236 4.163 + 1816TIP3 H160810 -2.003 4.238 4.087 + 1816TIP3 H260811 -2.025 4.163 4.214 + 1816TIP3 OH260812 -0.647 3.796 3.539 + 1816TIP3 H160813 -0.705 3.779 3.462 + 1816TIP3 H260814 -0.635 3.892 3.527 + 1816TIP3 OH260815 -1.122 4.191 4.244 + 1816TIP3 H160816 -1.209 4.168 4.278 + 1816TIP3 H260817 -1.087 4.110 4.202 + 1817TIP3 OH260818 -2.249 4.095 3.342 + 1817TIP3 H160819 -2.189 4.155 3.390 + 1817TIP3 H260820 -2.333 4.111 3.388 + 1817TIP3 OH260821 -2.072 -4.386 3.529 + 1817TIP3 H160822 -2.163 -4.351 3.542 + 1817TIP3 H260823 -2.026 -4.305 3.503 + 1817TIP3 OH260824 -1.257 3.496 3.613 + 1817TIP3 H160825 -1.241 3.577 3.561 + 1817TIP3 H260826 -1.229 3.528 3.701 + 1817TIP3 OH260827 -1.497 3.698 3.761 + 1817TIP3 H160828 -1.419 3.756 3.758 + 1817TIP3 H260829 -1.530 3.724 3.848 + 1817TIP3 OH260830 -1.885 3.496 3.478 + 1817TIP3 H160831 -1.878 3.579 3.530 + 1817TIP3 H260832 -1.800 3.454 3.500 + 1817TIP3 OH260833 -1.023 3.958 4.132 + 1817TIP3 H160834 -1.094 3.922 4.074 + 1817TIP3 H260835 -0.970 3.879 4.157 + 1817TIP3 OH260836 -2.235 3.800 3.294 + 1817TIP3 H160837 -2.221 3.895 3.313 + 1817TIP3 H260838 -2.321 3.800 3.250 + 1817TIP3 OH260839 -2.141 3.299 4.171 + 1817TIP3 H160840 -2.161 3.303 4.075 + 1817TIP3 H260841 -2.179 3.215 4.198 + 1817TIP3 OH260842 -1.789 4.168 3.458 + 1817TIP3 H160843 -1.840 4.116 3.521 + 1817TIP3 H260844 -1.757 4.099 3.396 + 1817TIP3 OH260845 -1.689 3.955 3.288 + 1817TIP3 H160846 -1.690 3.969 3.192 + 1817TIP3 H260847 -1.594 3.964 3.307 + 1818TIP3 OH260848 -0.759 4.185 3.212 + 1818TIP3 H160849 -0.772 4.176 3.116 + 1818TIP3 H260850 -0.761 4.282 3.225 + 1818TIP3 OH260851 -0.675 4.349 3.632 + 1818TIP3 H160852 -0.580 4.356 3.645 + 1818TIP3 H260853 -0.700 4.280 3.696 + 1818TIP3 OH260854 -0.643 4.133 3.813 + 1818TIP3 H160855 -0.722 4.089 3.850 + 1818TIP3 H260856 -0.590 4.152 3.893 + 1818TIP3 OH260857 -0.624 4.096 3.461 + 1818TIP3 H160858 -0.687 4.117 3.390 + 1818TIP3 H260859 -0.644 4.167 3.525 + 1818TIP3 OH260860 -0.786 3.836 3.294 + 1818TIP3 H160861 -0.781 3.908 3.230 + 1818TIP3 H260862 -0.825 3.764 3.242 + 1818TIP3 OH260863 -0.868 3.965 3.885 + 1818TIP3 H160864 -0.887 3.872 3.866 + 1818TIP3 H260865 -0.910 3.977 3.972 + 1818TIP3 OH260866 -2.382 4.133 4.268 + 1818TIP3 H160867 -2.367 4.189 4.190 + 1818TIP3 H260868 -2.304 4.152 4.323 + 1818TIP3 OH260869 -0.859 3.561 3.201 + 1818TIP3 H160870 -0.798 3.529 3.270 + 1818TIP3 H260871 -0.943 3.522 3.225 + 1818TIP3 OH260872 -0.892 3.715 3.698 + 1818TIP3 H160873 -0.865 3.623 3.716 + 1818TIP3 H260874 -0.810 3.754 3.665 + 1818TIP3 OH260875 -0.854 3.769 4.219 + 1818TIP3 H160876 -0.758 3.779 4.235 + 1818TIP3 H260877 -0.890 3.767 4.309 + 1819TIP3 OH260878 -0.823 3.427 3.705 + 1819TIP3 H160879 -0.817 3.403 3.799 + 1819TIP3 H260880 -0.908 3.385 3.679 + 1819TIP3 OH260881 -2.299 3.561 4.192 + 1819TIP3 H160882 -2.274 3.468 4.206 + 1819TIP3 H260883 -2.243 3.603 4.259 + 1819TIP3 OH260884 -2.460 3.845 4.304 + 1819TIP3 H160885 -2.417 3.810 4.224 + 1819TIP3 H260886 -2.434 3.939 4.300 + 1819TIP3 OH260887 -0.634 3.479 3.368 + 1819TIP3 H160888 -0.599 3.397 3.329 + 1819TIP3 H260889 -0.552 3.529 3.385 + 1819TIP3 OH260890 -2.405 3.445 3.691 + 1819TIP3 H160891 -2.500 3.452 3.674 + 1819TIP3 H260892 -2.366 3.509 3.628 + 1819TIP3 OH260893 -0.926 3.278 4.153 + 1819TIP3 H160894 -0.844 3.293 4.104 + 1819TIP3 H260895 -0.991 3.260 4.085 + 1819TIP3 OH260896 -0.709 3.340 3.964 + 1819TIP3 H160897 -0.635 3.304 3.910 + 1819TIP3 H260898 -0.678 3.432 3.977 + 1819TIP3 OH260899 -2.175 3.301 3.882 + 1819TIP3 H160900 -2.263 3.286 3.841 + 1819TIP3 H260901 -2.136 3.212 3.875 + 1819TIP3 OH260902 -2.295 3.250 3.477 + 1819TIP3 H160903 -2.244 3.316 3.426 + 1819TIP3 H260904 -2.336 3.304 3.546 + 1819TIP3 OH260905 -1.228 3.298 3.985 + 1819TIP3 H160906 -1.147 3.288 3.933 + 1819TIP3 H260907 -1.217 3.234 4.057 + 1820TIP3 OH260908 -1.058 3.288 3.613 + 1820TIP3 H160909 -1.137 3.346 3.607 + 1820TIP3 H260910 -1.098 3.201 3.628 + 1820TIP3 OH260911 -2.123 3.432 3.321 + 1820TIP3 H160912 -2.062 3.377 3.269 + 1820TIP3 H260913 -2.063 3.466 3.390 + 1820TIP3 OH260914 -1.621 3.458 3.590 + 1820TIP3 H160915 -1.568 3.393 3.638 + 1820TIP3 H260916 -1.589 3.543 3.625 + 1820TIP3 OH260917 0.610 4.194 3.893 + 1820TIP3 H160918 0.591 4.286 3.915 + 1820TIP3 H260919 0.532 4.167 3.843 + 1820TIP3 OH260920 0.468 4.120 4.249 + 1820TIP3 H160921 0.492 4.051 4.313 + 1820TIP3 H260922 0.486 4.081 4.164 + 1820TIP3 OH260923 -0.491 3.888 3.777 + 1820TIP3 H160924 -0.537 3.973 3.789 + 1820TIP3 H260925 -0.562 3.833 3.742 + 1820TIP3 OH260926 -0.399 4.130 3.973 + 1820TIP3 H160927 -0.398 4.056 4.036 + 1820TIP3 H260928 -0.320 4.110 3.922 + 1820TIP3 OH260929 0.655 3.815 4.322 + 1820TIP3 H160930 0.696 3.729 4.342 + 1820TIP3 H260931 0.662 3.820 4.225 + 1820TIP3 OH260932 -0.037 3.603 4.042 + 1820TIP3 H160933 -0.017 3.688 3.999 + 1820TIP3 H260934 -0.068 3.552 3.965 + 1820TIP3 OH260935 0.754 3.622 3.865 + 1820TIP3 H160936 0.807 3.583 3.939 + 1820TIP3 H260937 0.825 3.668 3.817 + 1821TIP3 OH260938 -0.340 3.868 4.099 + 1821TIP3 H160939 -0.292 3.809 4.157 + 1821TIP3 H260940 -0.335 3.821 4.014 + 1821TIP3 OH260941 0.173 4.015 4.056 + 1821TIP3 H160942 0.243 3.955 4.086 + 1821TIP3 H260943 0.123 3.957 3.995 + 1821TIP3 OH260944 0.931 3.562 4.067 + 1821TIP3 H160945 0.927 3.474 4.111 + 1821TIP3 H260946 0.980 3.611 4.135 + 1821TIP3 OH260947 -0.113 3.693 4.297 + 1821TIP3 H160948 -0.122 3.787 4.278 + 1821TIP3 H260949 -0.112 3.651 4.209 + 1821TIP3 OH260950 0.260 3.241 4.176 + 1821TIP3 H160951 0.258 3.144 4.183 + 1821TIP3 H260952 0.178 3.266 4.224 + 1821TIP3 OH260953 0.462 4.143 3.636 + 1821TIP3 H160954 0.400 4.182 3.574 + 1821TIP3 H260955 0.541 4.133 3.579 + 1821TIP3 OH260956 0.503 3.945 3.352 + 1821TIP3 H160957 0.576 3.978 3.408 + 1821TIP3 H260958 0.553 3.892 3.288 + 1821TIP3 OH260959 0.835 4.142 3.737 + 1821TIP3 H160960 0.768 4.162 3.806 + 1821TIP3 H260961 0.900 4.090 3.789 + 1821TIP3 OH260962 -0.027 4.205 3.937 + 1821TIP3 H160963 -0.038 4.181 3.843 + 1821TIP3 H260964 0.058 4.165 3.958 + 1821TIP3 OH260965 0.008 4.083 4.284 + 1821TIP3 H160966 0.076 4.084 4.215 + 1821TIP3 H260967 0.045 4.138 4.354 + 1822TIP3 OH260968 0.717 4.074 3.500 + 1822TIP3 H160969 0.772 4.102 3.577 + 1822TIP3 H260970 0.763 4.121 3.426 + 1822TIP3 OH260971 1.066 3.247 3.444 + 1822TIP3 H160972 0.978 3.256 3.485 + 1822TIP3 H260973 1.101 3.337 3.451 + 1822TIP3 OH260974 -0.123 4.089 3.680 + 1822TIP3 H160975 -0.142 4.166 3.623 + 1822TIP3 H260976 -0.187 4.024 3.649 + 1822TIP3 OH260977 0.015 3.329 4.293 + 1822TIP3 H160978 -0.067 3.326 4.240 + 1822TIP3 H260979 0.028 3.425 4.308 + 1822TIP3 OH260980 0.853 4.178 3.290 + 1822TIP3 H160981 0.852 4.152 3.197 + 1822TIP3 H260982 0.942 4.216 3.299 + 1822TIP3 OH260983 0.441 3.558 3.344 + 1822TIP3 H160984 0.392 3.546 3.427 + 1822TIP3 H260985 0.400 3.489 3.289 + 1822TIP3 OH260986 0.005 3.835 3.883 + 1822TIP3 H160987 -0.090 3.828 3.867 + 1822TIP3 H260988 0.040 3.814 3.795 + 1822TIP3 OH260989 0.565 3.898 3.764 + 1822TIP3 H160990 0.520 3.974 3.725 + 1822TIP3 H260991 0.633 3.878 3.697 + 1822TIP3 OH260992 0.643 3.832 4.043 + 1822TIP3 H160993 0.617 3.886 3.965 + 1822TIP3 H260994 0.666 3.749 3.997 + 1822TIP3 OH260995 0.084 3.605 3.235 + 1822TIP3 H160996 0.049 3.568 3.319 + 1822TIP3 H260997 0.004 3.613 3.181 + 1823TIP3 OH260998 -0.569 3.591 3.942 + 1823TIP3 H160999 -0.512 3.589 4.022 + 1823TIP3 H261000 -0.514 3.549 3.874 + 1823TIP3 OH261001 -0.415 3.632 3.512 + 1823TIP3 H161002 -0.358 3.681 3.449 + 1823TIP3 H261003 -0.483 3.699 3.531 + 1823TIP3 OH261004 0.272 3.597 3.982 + 1823TIP3 H161005 0.180 3.589 4.011 + 1823TIP3 H261006 0.321 3.575 4.063 + 1823TIP3 OH261007 -0.264 3.717 3.854 + 1823TIP3 H161008 -0.345 3.745 3.807 + 1823TIP3 H261009 -0.234 3.639 3.803 + 1823TIP3 OH261010 0.101 3.748 3.619 + 1823TIP3 H161011 0.198 3.757 3.628 + 1823TIP3 H261012 0.078 3.812 3.549 + 1823TIP3 OH261013 0.714 3.461 4.280 + 1823TIP3 H161014 0.682 3.495 4.365 + 1823TIP3 H261015 0.638 3.470 4.221 + 1823TIP3 OH261016 -0.057 3.878 3.398 + 1823TIP3 H161017 -0.112 3.843 3.326 + 1823TIP3 H261018 0.026 3.896 3.351 + 1823TIP3 OH261019 0.366 3.830 4.184 + 1823TIP3 H161020 0.446 3.803 4.136 + 1823TIP3 H261021 0.373 3.778 4.265 + 1823TIP3 OH261022 -0.087 3.491 3.784 + 1823TIP3 H161023 -0.140 3.411 3.800 + 1823TIP3 H261024 -0.006 3.454 3.747 + 1823TIP3 OH261025 0.250 4.365 3.602 + 1823TIP3 H161026 0.212 4.297 3.544 + 1823TIP3 H261027 0.299 4.318 3.669 + 1824TIP3 OH261028 0.710 3.618 3.356 + 1824TIP3 H161029 0.611 3.614 3.355 + 1824TIP3 H261030 0.729 3.688 3.422 + 1824TIP3 OH261031 0.777 3.797 3.564 + 1824TIP3 H161032 0.864 3.780 3.606 + 1824TIP3 H261033 0.790 3.885 3.525 + 1824TIP3 OH261034 -0.178 4.238 4.163 + 1824TIP3 H161035 -0.117 4.238 4.086 + 1824TIP3 H261036 -0.140 4.163 4.213 + 1824TIP3 OH261037 1.237 3.796 3.537 + 1824TIP3 H161038 1.180 3.778 3.460 + 1824TIP3 H261039 1.249 3.892 3.525 + 1824TIP3 OH261040 0.749 4.216 4.221 + 1824TIP3 H161041 0.678 4.187 4.279 + 1824TIP3 H261042 0.801 4.135 4.203 + 1824TIP3 OH261043 -0.364 4.095 3.341 + 1824TIP3 H161044 -0.305 4.155 3.391 + 1824TIP3 H261045 -0.449 4.109 3.388 + 1824TIP3 OH261046 -0.188 -4.386 3.524 + 1824TIP3 H161047 -0.277 -4.351 3.544 + 1824TIP3 H261048 -0.138 -4.305 3.509 + 1824TIP3 OH261049 0.627 3.492 3.632 + 1824TIP3 H161050 0.645 3.548 3.555 + 1824TIP3 H261051 0.670 3.542 3.704 + 1824TIP3 OH261052 0.366 3.695 3.727 + 1824TIP3 H161053 0.444 3.751 3.745 + 1824TIP3 H261054 0.335 3.673 3.817 + 1824TIP3 OH261055 0.420 3.393 3.817 + 1824TIP3 H161056 0.409 3.454 3.892 + 1824TIP3 H261057 0.498 3.432 3.773 + 1825TIP3 OH261058 -0.002 3.495 3.474 + 1825TIP3 H161059 0.000 3.570 3.535 + 1825TIP3 H261060 0.079 3.447 3.501 + 1825TIP3 OH261061 0.878 3.969 4.131 + 1825TIP3 H161062 0.797 3.921 4.108 + 1825TIP3 H261063 0.934 3.897 4.169 + 1825TIP3 OH261064 -0.347 3.801 3.292 + 1825TIP3 H161065 -0.335 3.895 3.314 + 1825TIP3 H261066 -0.436 3.800 3.255 + 1825TIP3 OH261067 -0.260 3.302 4.172 + 1825TIP3 H161068 -0.273 3.306 4.074 + 1825TIP3 H261069 -0.292 3.214 4.194 + 1825TIP3 OH261070 0.108 4.162 3.456 + 1825TIP3 H161071 0.044 4.119 3.515 + 1825TIP3 H261072 0.125 4.092 3.390 + 1825TIP3 OH261073 0.193 3.957 3.284 + 1825TIP3 H161074 0.191 3.971 3.188 + 1825TIP3 H261075 0.289 3.955 3.302 + 1825TIP3 OH261076 1.123 4.189 3.207 + 1825TIP3 H161077 1.115 4.182 3.110 + 1825TIP3 H261078 1.124 4.285 3.224 + 1825TIP3 OH261079 1.205 4.359 3.643 + 1825TIP3 H161080 1.301 4.359 3.634 + 1825TIP3 H261081 1.186 4.279 3.694 + 1825TIP3 OH261082 1.243 4.132 3.812 + 1825TIP3 H161083 1.163 4.091 3.850 + 1825TIP3 H261084 1.296 4.152 3.892 + 1825TIP3 OH261085 1.260 4.095 3.461 + 1825TIP3 H161086 1.196 4.117 3.391 + 1825TIP3 H261087 1.244 4.166 3.524 + 1826TIP3 OH261088 1.085 3.844 3.295 + 1826TIP3 H161089 1.105 3.905 3.223 + 1826TIP3 H261090 1.061 3.762 3.248 + 1826TIP3 OH261091 1.013 3.966 3.885 + 1826TIP3 H161092 1.011 3.870 3.873 + 1826TIP3 H261093 0.979 3.976 3.976 + 1826TIP3 OH261094 -0.495 4.130 4.267 + 1826TIP3 H161095 -0.484 4.189 4.192 + 1826TIP3 H261096 -0.418 4.152 4.323 + 1826TIP3 OH261097 1.031 3.579 3.215 + 1826TIP3 H161098 1.089 3.529 3.275 + 1826TIP3 H261099 0.951 3.525 3.210 + 1826TIP3 OH261100 1.013 3.707 3.709 + 1826TIP3 H161101 1.036 3.612 3.717 + 1826TIP3 H261102 1.095 3.742 3.669 + 1826TIP3 OH261103 1.036 3.777 4.223 + 1826TIP3 H161104 1.131 3.773 4.242 + 1826TIP3 H261105 0.996 3.750 4.308 + 1826TIP3 OH261106 1.059 3.427 3.707 + 1826TIP3 H161107 1.068 3.396 3.798 + 1826TIP3 H261108 0.979 3.379 3.678 + 1826TIP3 OH261109 -0.416 3.558 4.191 + 1826TIP3 H161110 -0.383 3.467 4.203 + 1826TIP3 H261111 -0.362 3.605 4.256 + 1826TIP3 OH261112 -0.578 3.844 4.302 + 1826TIP3 H161113 -0.532 3.811 4.223 + 1826TIP3 H261114 -0.551 3.939 4.300 + 1826TIP3 OH261115 1.255 3.476 3.374 + 1826TIP3 H161116 1.286 3.395 3.329 + 1826TIP3 H261117 1.338 3.527 3.382 + 1827TIP3 OH261118 -0.519 3.443 3.688 + 1827TIP3 H161119 -0.615 3.455 3.674 + 1827TIP3 H261120 -0.480 3.509 3.628 + 1827TIP3 OH261121 0.471 3.439 4.124 + 1827TIP3 H161122 0.412 3.367 4.153 + 1827TIP3 H261123 0.541 3.389 4.077 + 1827TIP3 OH261124 0.966 3.307 4.154 + 1827TIP3 H161125 1.050 3.273 4.120 + 1827TIP3 H261126 0.897 3.253 4.115 + 1827TIP3 OH261127 1.183 3.340 3.958 + 1827TIP3 H161128 1.258 3.305 3.905 + 1827TIP3 H261129 1.209 3.432 3.974 + 1827TIP3 OH261130 -0.292 3.300 3.890 + 1827TIP3 H161131 -0.377 3.287 3.843 + 1827TIP3 H261132 -0.247 3.216 3.873 + 1827TIP3 OH261133 -0.411 3.251 3.477 + 1827TIP3 H161134 -0.359 3.316 3.427 + 1827TIP3 H261135 -0.449 3.305 3.547 + 1827TIP3 OH261136 0.159 3.276 3.891 + 1827TIP3 H161137 0.247 3.313 3.871 + 1827TIP3 H261138 0.165 3.268 3.987 + 1827TIP3 OH261139 0.693 3.293 3.998 + 1827TIP3 H161140 0.741 3.267 3.919 + 1827TIP3 H261141 0.673 3.207 4.041 + 1827TIP3 OH261142 0.827 3.287 3.616 + 1827TIP3 H161143 0.745 3.340 3.604 + 1827TIP3 H261144 0.791 3.198 3.628 + 1827TIP3 OH261145 -0.237 3.432 3.321 + 1827TIP3 H161146 -0.176 3.376 3.270 + 1827TIP3 H261147 -0.178 3.465 3.391 + 1828TIP3 OH261148 0.270 3.450 3.584 + 1828TIP3 H161149 0.310 3.395 3.654 + 1828TIP3 H261150 0.290 3.538 3.619 + 1828TIP3 OH261151 2.496 4.194 3.893 + 1828TIP3 H161152 2.475 4.286 3.914 + 1828TIP3 H261153 2.418 4.167 3.843 + 1828TIP3 OH261154 2.359 4.120 4.251 + 1828TIP3 H161155 2.379 4.047 4.311 + 1828TIP3 H261156 2.369 4.082 4.163 + 1828TIP3 OH261157 1.395 3.890 3.777 + 1828TIP3 H161158 1.346 3.974 3.786 + 1828TIP3 H261159 1.325 3.831 3.745 + 1828TIP3 OH261160 1.488 4.131 3.975 + 1828TIP3 H161161 1.487 4.055 4.035 + 1828TIP3 H261162 1.564 4.108 3.920 + 1828TIP3 OH261163 2.539 3.817 4.322 + 1828TIP3 H161164 2.582 3.733 4.343 + 1828TIP3 H261165 2.546 3.822 4.225 + 1828TIP3 OH261166 1.851 3.603 4.042 + 1828TIP3 H161167 1.867 3.688 3.997 + 1828TIP3 H261168 1.819 3.551 3.966 + 1828TIP3 OH261169 2.639 3.623 3.865 + 1828TIP3 H161170 2.692 3.583 3.939 + 1828TIP3 H261171 2.710 3.668 3.817 + 1828TIP3 OH261172 1.549 3.871 4.098 + 1828TIP3 H161173 1.590 3.807 4.158 + 1828TIP3 H261174 1.550 3.822 4.014 + 1828TIP3 OH261175 2.058 4.015 4.055 + 1828TIP3 H161176 2.128 3.954 4.086 + 1828TIP3 H261177 2.008 3.957 3.995 + 1829TIP3 OH261178 2.814 3.566 4.066 + 1829TIP3 H161179 2.813 3.476 4.106 + 1829TIP3 H261180 2.865 3.613 4.134 + 1829TIP3 OH261181 1.776 3.694 4.298 + 1829TIP3 H161182 1.759 3.787 4.279 + 1829TIP3 H261183 1.771 3.651 4.211 + 1829TIP3 OH261184 2.147 3.241 4.177 + 1829TIP3 H161185 2.142 3.144 4.183 + 1829TIP3 H261186 2.064 3.267 4.222 + 1829TIP3 OH261187 2.347 4.142 3.636 + 1829TIP3 H161188 2.286 4.188 3.578 + 1829TIP3 H261189 2.424 4.132 3.578 + 1829TIP3 OH261190 2.390 3.942 3.355 + 1829TIP3 H161191 2.462 3.978 3.408 + 1829TIP3 H261192 2.439 3.893 3.288 + 1829TIP3 OH261193 2.721 4.144 3.738 + 1829TIP3 H161194 2.653 4.162 3.806 + 1829TIP3 H261195 2.786 4.091 3.788 + 1829TIP3 OH261196 1.860 4.207 3.936 + 1829TIP3 H161197 1.845 4.179 3.844 + 1829TIP3 H261198 1.943 4.162 3.957 + 1829TIP3 OH261199 1.895 4.081 4.285 + 1829TIP3 H161200 1.961 4.083 4.214 + 1829TIP3 H261201 1.931 4.142 4.351 + 1829TIP3 OH261202 2.602 4.073 3.501 + 1829TIP3 H161203 2.658 4.101 3.578 + 1829TIP3 H261204 2.649 4.119 3.427 + 1829TIP3 OH261205 1.762 4.090 3.681 + 1829TIP3 H161206 1.743 4.167 3.624 + 1829TIP3 H261207 1.700 4.023 3.649 + 1830TIP3 OH261208 1.903 3.330 4.290 + 1830TIP3 H161209 1.819 3.322 4.242 + 1830TIP3 H261210 1.910 3.425 4.308 + 1830TIP3 OH261211 2.742 4.176 3.296 + 1830TIP3 H161212 2.734 4.160 3.200 + 1830TIP3 H261213 2.831 4.215 3.301 + 1830TIP3 OH261214 2.330 3.551 3.346 + 1830TIP3 H161215 2.276 3.545 3.426 + 1830TIP3 H261216 2.282 3.490 3.288 + 1830TIP3 OH261217 1.891 3.837 3.883 + 1830TIP3 H161218 1.795 3.827 3.867 + 1830TIP3 H261219 1.925 3.814 3.794 + 1830TIP3 OH261220 2.450 3.899 3.764 + 1830TIP3 H161221 2.405 3.975 3.724 + 1830TIP3 H261222 2.517 3.878 3.697 + 1830TIP3 OH261223 2.529 3.832 4.042 + 1830TIP3 H161224 2.503 3.886 3.965 + 1830TIP3 H261225 2.552 3.749 3.997 + 1830TIP3 OH261226 1.972 3.603 3.235 + 1830TIP3 H161227 1.934 3.567 3.318 + 1830TIP3 H261228 1.893 3.616 3.182 + 1830TIP3 OH261229 1.322 3.601 3.940 + 1830TIP3 H161230 1.373 3.588 4.022 + 1830TIP3 H261231 1.369 3.548 3.874 + 1830TIP3 OH261232 1.474 3.633 3.514 + 1830TIP3 H161233 1.527 3.682 3.448 + 1830TIP3 H261234 1.403 3.698 3.531 + 1830TIP3 OH261235 2.158 3.599 3.982 + 1830TIP3 H161236 2.065 3.589 4.009 + 1830TIP3 H261237 2.205 3.573 4.063 + 1831TIP3 OH261238 1.625 3.719 3.852 + 1831TIP3 H161239 1.541 3.743 3.809 + 1831TIP3 H261240 1.651 3.639 3.803 + 1831TIP3 OH261241 1.988 3.749 3.619 + 1831TIP3 H161242 2.085 3.761 3.625 + 1831TIP3 H261243 1.961 3.810 3.548 + 1831TIP3 OH261244 2.599 3.459 4.282 + 1831TIP3 H161245 2.566 3.496 4.365 + 1831TIP3 H261246 2.525 3.469 4.221 + 1831TIP3 OH261247 1.830 3.878 3.399 + 1831TIP3 H161248 1.773 3.845 3.328 + 1831TIP3 H261249 1.913 3.896 3.350 + 1831TIP3 OH261250 2.254 3.833 4.187 + 1831TIP3 H161251 2.330 3.802 4.136 + 1831TIP3 H261252 2.257 3.775 4.264 + 1831TIP3 OH261253 1.799 3.490 3.786 + 1831TIP3 H161254 1.742 3.413 3.800 + 1831TIP3 H261255 1.878 3.451 3.747 + 1831TIP3 OH261256 2.148 4.369 3.591 + 1831TIP3 H161257 2.094 4.303 3.543 + 1831TIP3 H261258 2.171 4.324 3.673 + 1831TIP3 OH261259 2.596 3.623 3.347 + 1831TIP3 H161260 2.498 3.613 3.354 + 1831TIP3 H261261 2.616 3.685 3.420 + 1831TIP3 OH261262 2.663 3.795 3.563 + 1831TIP3 H161263 2.750 3.780 3.607 + 1831TIP3 H261264 2.674 3.885 3.526 + 1831TIP3 OH261265 1.710 4.240 4.164 + 1831TIP3 H161266 1.769 4.238 4.086 + 1831TIP3 H261267 1.743 4.162 4.212 + 1832TIP3 OH261268 3.122 3.796 3.535 + 1832TIP3 H161269 3.063 3.783 3.457 + 1832TIP3 H261270 3.137 3.892 3.526 + 1832TIP3 OH261271 2.635 4.217 4.220 + 1832TIP3 H161272 2.561 4.186 4.275 + 1832TIP3 H261273 2.686 4.136 4.202 + 1832TIP3 OH261274 1.522 4.095 3.343 + 1832TIP3 H161275 1.581 4.155 3.392 + 1832TIP3 H261276 1.437 4.110 3.389 + 1832TIP3 OH261277 1.701 -4.386 3.528 + 1832TIP3 H161278 1.609 -4.354 3.541 + 1832TIP3 H261279 1.745 -4.303 3.503 + 1832TIP3 OH261280 2.533 3.478 3.634 + 1832TIP3 H161281 2.526 3.540 3.561 + 1832TIP3 H261282 2.562 3.536 3.707 + 1832TIP3 OH261283 2.258 3.691 3.727 + 1832TIP3 H161284 2.331 3.753 3.747 + 1832TIP3 H261285 2.223 3.671 3.816 + 1832TIP3 OH261286 2.306 3.394 3.817 + 1832TIP3 H161287 2.295 3.454 3.893 + 1832TIP3 H261288 2.387 3.430 3.777 + 1832TIP3 OH261289 1.883 3.495 3.474 + 1832TIP3 H161290 1.885 3.570 3.536 + 1832TIP3 H261291 1.964 3.446 3.501 + 1832TIP3 OH261292 2.762 3.971 4.133 + 1832TIP3 H161293 2.683 3.921 4.107 + 1832TIP3 H261294 2.820 3.900 4.170 + 1832TIP3 OH261295 1.537 3.800 3.296 + 1832TIP3 H161296 1.549 3.895 3.313 + 1832TIP3 H261297 1.452 3.799 3.249 + 1833TIP3 OH261298 1.628 3.300 4.171 + 1833TIP3 H161299 1.612 3.304 4.075 + 1833TIP3 H261300 1.592 3.214 4.195 + 1833TIP3 OH261301 1.998 4.161 3.466 + 1833TIP3 H161302 1.928 4.119 3.516 + 1833TIP3 H261303 2.012 4.098 3.393 + 1833TIP3 OH261304 2.078 3.958 3.284 + 1833TIP3 H161305 2.075 3.971 3.187 + 1833TIP3 H261306 2.174 3.957 3.300 + 1833TIP3 OH261307 3.009 4.189 3.207 + 1833TIP3 H161308 2.997 4.183 3.111 + 1833TIP3 H261309 3.014 4.285 3.224 + 1833TIP3 OH261310 3.081 4.365 3.646 + 1833TIP3 H161311 3.177 4.370 3.635 + 1833TIP3 H261312 3.068 4.283 3.695 + 1833TIP3 OH261313 3.128 4.133 3.812 + 1833TIP3 H161314 3.049 4.091 3.851 + 1833TIP3 H261315 3.183 4.150 3.891 + 1833TIP3 OH261316 3.145 4.093 3.461 + 1833TIP3 H161317 3.082 4.117 3.391 + 1833TIP3 H261318 3.131 4.165 3.524 + 1833TIP3 OH261319 2.972 3.842 3.295 + 1833TIP3 H161320 2.991 3.908 3.226 + 1833TIP3 H261321 2.949 3.763 3.243 + 1833TIP3 OH261322 2.898 3.966 3.885 + 1833TIP3 H161323 2.897 3.869 3.874 + 1833TIP3 H261324 2.865 3.975 3.976 + 1833TIP3 OH261325 1.390 4.133 4.267 + 1833TIP3 H161326 1.406 4.189 4.190 + 1833TIP3 H261327 1.465 4.152 4.324 + 1834TIP3 OH261328 2.921 3.575 3.216 + 1834TIP3 H161329 2.973 3.527 3.283 + 1834TIP3 H261330 2.836 3.529 3.218 + 1834TIP3 OH261331 2.898 3.706 3.709 + 1834TIP3 H161332 2.921 3.611 3.718 + 1834TIP3 H261333 2.980 3.740 3.670 + 1834TIP3 OH261334 2.922 3.778 4.222 + 1834TIP3 H161335 3.018 3.773 4.241 + 1834TIP3 H261336 2.884 3.743 4.305 + 1834TIP3 OH261337 2.953 3.428 3.708 + 1834TIP3 H161338 2.947 3.395 3.800 + 1834TIP3 H261339 2.880 3.379 3.664 + 1834TIP3 OH261340 1.471 3.559 4.191 + 1834TIP3 H161341 1.498 3.467 4.204 + 1834TIP3 H261342 1.525 3.603 4.258 + 1834TIP3 OH261343 1.310 3.844 4.303 + 1834TIP3 H161344 1.353 3.810 4.222 + 1834TIP3 H261345 1.336 3.938 4.299 + 1834TIP3 OH261346 3.123 3.455 3.376 + 1834TIP3 H161347 3.168 3.385 3.327 + 1834TIP3 H261348 3.195 3.517 3.395 + 1834TIP3 OH261349 1.366 3.447 3.693 + 1834TIP3 H161350 1.271 3.453 3.673 + 1834TIP3 H261351 1.406 3.508 3.629 + 1834TIP3 OH261352 2.356 3.439 4.124 + 1834TIP3 H161353 2.297 3.367 4.153 + 1834TIP3 H261354 2.426 3.389 4.077 + 1834TIP3 OH261355 2.853 3.314 4.145 + 1834TIP3 H161356 2.936 3.267 4.133 + 1834TIP3 H261357 2.784 3.249 4.130 + 1835TIP3 OH261358 3.073 3.337 3.955 + 1835TIP3 H161359 3.147 3.311 3.899 + 1835TIP3 H261360 3.093 3.430 3.976 + 1835TIP3 OH261361 1.595 3.301 3.888 + 1835TIP3 H161362 1.509 3.287 3.843 + 1835TIP3 H261363 1.638 3.215 3.873 + 1835TIP3 OH261364 1.477 3.250 3.478 + 1835TIP3 H161365 1.527 3.316 3.426 + 1835TIP3 H261366 1.436 3.304 3.546 + 1835TIP3 OH261367 2.046 3.277 3.890 + 1835TIP3 H161368 2.135 3.312 3.873 + 1835TIP3 H261369 2.047 3.269 3.986 + 1835TIP3 OH261370 2.574 3.293 3.999 + 1835TIP3 H161371 2.625 3.264 3.922 + 1835TIP3 H261372 2.557 3.209 4.045 + 1835TIP3 OH261373 2.739 3.291 3.590 + 1835TIP3 H161374 2.660 3.348 3.592 + 1835TIP3 H261375 2.702 3.207 3.620 + 1835TIP3 OH261376 1.647 3.432 3.321 + 1835TIP3 H161377 1.708 3.376 3.269 + 1835TIP3 H261378 1.707 3.465 3.391 + 1835TIP3 OH261379 2.160 3.451 3.581 + 1835TIP3 H161380 2.194 3.395 3.654 + 1835TIP3 H261381 2.174 3.538 3.621 + 1835TIP3 OH261382 4.195 4.102 4.243 + 1835TIP3 H161383 4.273 4.115 4.299 + 1835TIP3 H261384 4.236 4.087 4.157 + 1835TIP3 OH261385 3.281 3.889 3.774 + 1835TIP3 H161386 3.235 3.974 3.787 + 1835TIP3 H261387 3.208 3.831 3.748 + 1836TIP3 OH261388 3.371 4.129 3.974 + 1836TIP3 H161389 3.373 4.053 4.036 + 1836TIP3 H261390 3.452 4.111 3.924 + 1836TIP3 OH261391 3.735 3.604 4.041 + 1836TIP3 H161392 3.756 3.689 3.999 + 1836TIP3 H261393 3.700 3.554 3.966 + 1836TIP3 OH261394 3.433 3.871 4.098 + 1836TIP3 H161395 3.477 3.811 4.159 + 1836TIP3 H261396 3.436 3.820 4.015 + 1836TIP3 OH261397 3.942 4.014 4.056 + 1836TIP3 H161398 4.016 3.956 4.085 + 1836TIP3 H261399 3.894 3.952 3.997 + 1836TIP3 OH261400 3.659 3.694 4.299 + 1836TIP3 H161401 3.650 3.787 4.278 + 1836TIP3 H261402 3.659 3.650 4.212 + 1836TIP3 OH261403 4.031 3.239 4.165 + 1836TIP3 H161404 4.028 3.144 4.186 + 1836TIP3 H261405 3.956 3.272 4.219 + 1836TIP3 OH261406 4.268 4.125 3.630 + 1836TIP3 H161407 4.200 4.190 3.606 + 1836TIP3 H261408 4.332 4.141 3.561 + 1836TIP3 OH261409 4.285 3.941 3.364 + 1836TIP3 H161410 4.373 3.970 3.393 + 1836TIP3 H261411 4.300 3.913 3.273 + 1836TIP3 OH261412 3.743 4.204 3.937 + 1836TIP3 H161413 3.735 4.179 3.844 + 1836TIP3 H261414 3.829 4.165 3.961 + 1836TIP3 OH261415 3.784 4.082 4.287 + 1836TIP3 H161416 3.850 4.080 4.215 + 1836TIP3 H261417 3.822 4.145 4.350 + 1837TIP3 OH261418 3.650 4.087 3.677 + 1837TIP3 H161419 3.631 4.166 3.622 + 1837TIP3 H261420 3.580 4.025 3.650 + 1837TIP3 OH261421 3.789 3.330 4.292 + 1837TIP3 H161422 3.705 3.323 4.244 + 1837TIP3 H261423 3.797 3.425 4.310 + 1837TIP3 OH261424 4.216 3.551 3.326 + 1837TIP3 H161425 4.171 3.552 3.411 + 1837TIP3 H261426 4.189 3.467 3.288 + 1837TIP3 OH261427 3.775 3.835 3.884 + 1837TIP3 H161428 3.680 3.827 3.867 + 1837TIP3 H261429 3.810 3.816 3.795 + 1837TIP3 OH261430 4.271 3.887 3.833 + 1837TIP3 H161431 4.266 3.980 3.803 + 1837TIP3 H261432 4.364 3.875 3.855 + 1837TIP3 OH261433 3.872 3.566 3.227 + 1837TIP3 H161434 3.834 3.556 3.316 + 1837TIP3 H261435 3.809 3.624 3.184 + 1837TIP3 OH261436 3.208 3.601 3.940 + 1837TIP3 H161437 3.258 3.591 4.023 + 1837TIP3 H261438 3.257 3.546 3.876 + 1837TIP3 OH261439 3.352 3.628 3.508 + 1837TIP3 H161440 3.408 3.677 3.445 + 1837TIP3 H261441 3.286 3.697 3.531 + 1837TIP3 OH261442 4.041 3.579 3.983 + 1837TIP3 H161443 3.951 3.585 4.018 + 1837TIP3 H261444 4.092 3.582 4.066 + 1837TIP3 OH261445 3.511 3.717 3.851 + 1837TIP3 H161446 3.426 3.743 3.810 + 1837TIP3 H261447 3.536 3.637 3.801 + 1838TIP3 OH261448 3.876 3.744 3.615 + 1838TIP3 H161449 3.970 3.762 3.628 + 1838TIP3 H261450 3.848 3.809 3.549 + 1838TIP3 OH261451 3.720 3.866 3.392 + 1838TIP3 H161452 3.668 3.848 3.312 + 1838TIP3 H261453 3.803 3.898 3.352 + 1838TIP3 OH261454 4.122 3.815 4.149 + 1838TIP3 H161455 4.199 3.786 4.099 + 1838TIP3 H261456 4.150 3.796 4.240 + 1838TIP3 OH261457 3.681 3.487 3.772 + 1838TIP3 H161458 3.629 3.411 3.801 + 1838TIP3 H261459 3.770 3.449 3.762 + 1838TIP3 OH261460 4.068 4.333 3.593 + 1838TIP3 H161461 3.993 4.291 3.545 + 1838TIP3 H261462 4.043 4.321 3.685 + 1838TIP3 OH261463 3.595 4.236 4.165 + 1838TIP3 H161464 3.655 4.237 4.088 + 1838TIP3 H261465 3.630 4.160 4.214 + 1838TIP3 OH261466 3.409 4.093 3.343 + 1838TIP3 H161467 3.468 4.154 3.390 + 1838TIP3 H261468 3.324 4.110 3.388 + 1838TIP3 OH261469 3.583 -4.386 3.529 + 1838TIP3 H161470 3.493 -4.351 3.543 + 1838TIP3 H261471 3.631 -4.306 3.501 + 1838TIP3 OH261472 4.141 3.678 3.723 + 1838TIP3 H161473 4.200 3.750 3.756 + 1838TIP3 H261474 4.103 3.652 3.809 + 1838TIP3 OH261475 4.184 3.395 3.829 + 1838TIP3 H161476 4.162 3.460 3.900 + 1838TIP3 H261477 4.274 3.424 3.807 + 1839TIP3 OH261478 3.779 3.490 3.473 + 1839TIP3 H161479 3.754 3.566 3.529 + 1839TIP3 H261480 3.863 3.466 3.517 + 1839TIP3 OH261481 3.422 3.799 3.291 + 1839TIP3 H161482 3.438 3.893 3.312 + 1839TIP3 H261483 3.333 3.801 3.253 + 1839TIP3 OH261484 3.513 3.300 4.171 + 1839TIP3 H161485 3.494 3.302 4.075 + 1839TIP3 H261486 3.479 3.214 4.199 + 1839TIP3 OH261487 3.873 4.165 3.462 + 1839TIP3 H161488 3.815 4.112 3.518 + 1839TIP3 H261489 3.903 4.101 3.395 + 1839TIP3 OH261490 3.977 3.955 3.295 + 1839TIP3 H161491 3.976 3.961 3.198 + 1839TIP3 H261492 4.073 3.962 3.312 + 1839TIP3 OH261493 3.274 4.135 4.268 + 1839TIP3 H161494 3.292 4.189 4.190 + 1839TIP3 H261495 3.352 4.151 4.324 + 1839TIP3 OH261496 3.358 3.560 4.189 + 1839TIP3 H161497 3.384 3.468 4.205 + 1839TIP3 H261498 3.410 3.604 4.258 + 1839TIP3 OH261499 3.194 3.845 4.302 + 1839TIP3 H161500 3.240 3.809 4.225 + 1839TIP3 H261501 3.223 3.938 4.300 + 1839TIP3 OH261502 3.250 3.439 3.688 + 1839TIP3 H161503 3.154 3.451 3.677 + 1839TIP3 H261504 3.288 3.507 3.630 + 1839TIP3 OH261505 4.261 3.419 4.117 + 1839TIP3 H161506 4.197 3.365 4.165 + 1839TIP3 H261507 4.311 3.352 4.071 + 1840TIP3 OH261508 3.478 3.300 3.885 + 1840TIP3 H161509 3.394 3.284 3.839 + 1840TIP3 H261510 3.522 3.214 3.875 + 1840TIP3 OH261511 3.349 3.253 3.472 + 1840TIP3 H161512 3.409 3.315 3.425 + 1840TIP3 H261513 3.322 3.306 3.549 + 1840TIP3 OH261514 3.931 3.279 3.887 + 1840TIP3 H161515 4.020 3.316 3.872 + 1840TIP3 H261516 3.933 3.270 3.984 + 1840TIP3 OH261517 3.532 3.431 3.317 + 1840TIP3 H161518 3.597 3.380 3.266 + 1840TIP3 H261519 3.587 3.471 3.385 + 1840TIP3 OH261520 4.038 3.438 3.575 + 1840TIP3 H161521 4.069 3.384 3.651 + 1840TIP3 H261522 4.053 3.527 3.611 + 1SOD SOD61523 2.036 2.654 0.153 + 2SOD SOD61524 2.949 2.006 -1.899 + 3SOD SOD61525 -2.822 -1.822 -1.680 + 4SOD SOD61526 0.397 4.315 0.206 + 5SOD SOD61527 1.016 -1.430 -1.921 + 6SOD SOD61528 -2.856 -1.053 -0.754 + 7SOD SOD61529 0.094 0.370 4.192 + 8SOD SOD61530 2.908 -2.105 -2.933 + 9SOD SOD61531 -0.146 -3.133 -1.846 + 10SOD SOD61532 1.534 -0.498 1.891 + 11SOD SOD61533 -1.598 -2.489 1.463 + 12SOD SOD61534 -2.935 -1.085 -2.828 + 13SOD SOD61535 3.512 -1.722 1.006 + 14SOD SOD61536 -1.885 -3.724 1.031 + 15SOD SOD61537 -2.225 0.340 2.026 + 16SOD SOD61538 3.269 0.747 -0.948 + 17SOD SOD61539 3.158 -0.951 1.851 + 18SOD SOD61540 1.889 0.873 -1.924 + 19SOD SOD61541 -0.558 -0.850 3.619 + 20SOD SOD61542 0.858 1.305 -2.635 + 21SOD SOD61543 -3.209 3.370 1.664 + 22SOD SOD61544 -0.422 2.515 -4.272 + 23SOD SOD61545 -1.879 4.014 0.409 + 24SOD SOD61546 -3.358 -2.245 -3.811 + 25SOD SOD61547 -3.299 -0.324 1.475 + 26SOD SOD61548 -0.952 -2.303 -1.771 + 27SOD SOD61549 2.911 -1.052 -2.758 + 28SOD SOD61550 -0.267 -3.306 4.262 + 29SOD SOD61551 0.918 3.695 -1.899 + 30SOD SOD61552 -4.299 -0.431 -2.667 + 31SOD SOD61553 -0.718 1.652 2.890 + 32SOD SOD61554 -0.020 -2.170 0.131 + 33SOD SOD61555 3.200 0.124 2.221 + 34SOD SOD61556 3.427 1.930 -0.342 + 35SOD SOD61557 2.597 1.086 2.528 + 36SOD SOD61558 3.870 0.669 4.127 + 37SOD SOD61559 -4.168 -3.429 -1.413 + 38SOD SOD61560 0.551 -2.355 -0.171 + 39SOD SOD61561 -2.804 0.774 1.028 + 40SOD SOD61562 2.839 -3.487 3.061 + 41SOD SOD61563 0.475 -2.268 1.454 + 42SOD SOD61564 -0.047 2.795 -1.594 + 43SOD SOD61565 -3.119 1.785 -0.175 + 44SOD SOD61566 3.692 3.565 2.568 + 45SOD SOD61567 1.160 -2.677 0.405 + 46SOD SOD61568 2.182 2.098 -4.358 + 47SOD SOD61569 2.499 -3.552 3.622 + 48SOD SOD61570 -3.150 2.637 2.545 + 49SOD SOD61571 -3.611 -1.369 -0.304 + 50SOD SOD61572 3.179 4.217 -1.914 + 51SOD SOD61573 -1.544 3.385 3.985 + 52SOD SOD61574 3.906 3.226 3.286 + 53SOD SOD61575 -1.400 1.258 -2.542 + 54SOD SOD61576 0.624 4.043 2.421 + 55SOD SOD61577 -0.572 -3.952 2.807 + 56SOD SOD61578 -2.287 2.496 -1.486 + 57SOD SOD61579 -4.296 -1.353 4.117 + 58SOD SOD61580 4.009 2.333 -1.543 + 59SOD SOD61581 3.981 3.781 -3.393 + 60SOD SOD61582 -2.801 -0.902 2.131 + 61SOD SOD61583 0.054 2.141 -3.123 + 62SOD SOD61584 1.742 -1.695 -3.684 + 63SOD SOD61585 -1.328 3.677 3.172 + 64SOD SOD61586 2.023 -1.550 1.871 + 65SOD SOD61587 -3.781 1.811 2.706 + 66SOD SOD61588 -1.564 0.724 2.624 + 67SOD SOD61589 -1.457 -1.438 1.916 + 68SOD SOD61590 3.938 -1.495 -0.104 + 69SOD SOD61591 -4.177 0.685 -3.156 + 70SOD SOD61592 -3.475 -2.557 3.364 + 71SOD SOD61593 3.843 -1.704 1.945 + 72SOD SOD61594 -3.065 1.131 -3.142 + 73SOD SOD61595 2.911 3.091 3.254 + 74SOD SOD61596 -0.146 -3.447 -3.468 + 75SOD SOD61597 4.142 1.150 2.128 + 1CLA CLA61598 3.723 3.931 -0.432 + 2CLA CLA61599 0.598 -3.410 -1.411 + 3CLA CLA61600 0.305 -4.033 0.027 + 4CLA CLA61601 -2.918 -1.991 -2.129 + 5CLA CLA61602 3.212 2.681 -1.461 + 6CLA CLA61603 -1.276 3.890 3.970 + 7CLA CLA61604 -4.135 -0.631 -2.109 + 8CLA CLA61605 -4.010 1.992 2.188 + 9CLA CLA61606 -3.787 -1.064 -2.665 + 10CLA CLA61607 -2.251 4.155 1.278 + 11CLA CLA61608 3.522 3.373 -3.509 + 12CLA CLA61609 -4.010 0.565 -0.240 + 13CLA CLA61610 3.902 -1.240 -4.037 + 14CLA CLA61611 1.826 -3.945 2.374 + 15CLA CLA61612 0.618 4.143 -3.510 + 16CLA CLA61613 2.436 1.511 3.939 + 17CLA CLA61614 0.689 2.163 -1.864 + 18CLA CLA61615 2.174 0.614 3.695 + 19CLA CLA61616 3.731 -0.836 3.639 + 20CLA CLA61617 -0.300 -2.083 2.310 + 21CLA CLA61618 0.286 1.863 -2.782 + 22CLA CLA61619 0.444 -1.592 4.280 + 23CLA CLA61620 -3.682 -0.965 2.751 + 24CLA CLA61621 3.059 -2.653 -1.385 + 25CLA CLA61622 0.268 1.480 3.096 + 26CLA CLA61623 2.985 -1.145 -1.289 + 27CLA CLA61624 4.257 -1.638 3.915 + 28CLA CLA61625 2.109 2.268 2.707 + 29CLA CLA61626 3.148 2.184 -0.946 + 30CLA CLA61627 -4.279 3.311 -4.200 + 31CLA CLA61628 4.121 2.646 2.804 + 32CLA CLA61629 3.133 -2.321 3.087 + 33CLA CLA61630 -1.188 2.475 1.768 + 34CLA CLA61631 4.251 4.197 2.967 + 35CLA CLA61632 -2.115 -2.591 4.099 + 36CLA CLA61633 -1.664 3.340 -2.049 + 37CLA CLA61634 2.401 1.685 0.376 + 38CLA CLA61635 -0.304 -2.623 -0.695 + 39CLA CLA61636 -2.524 -2.953 -1.453 + 40CLA CLA61637 3.494 -2.888 -3.669 + 41CLA CLA61638 -3.591 -0.671 0.327 + 42CLA CLA61639 -3.097 0.461 -3.295 + 43CLA CLA61640 -0.581 1.524 4.242 + 44CLA CLA61641 3.940 1.881 -1.383 + 45CLA CLA61642 -1.581 2.921 -3.738 + 46CLA CLA61643 0.009 -3.649 -3.486 + 47CLA CLA61644 -1.288 -4.010 3.837 + 48CLA CLA61645 -2.419 1.919 3.696 + 49CLA CLA61646 1.622 -1.819 -2.941 + 50CLA CLA61647 3.465 -0.771 -3.287 + 51CLA CLA61648 -2.032 -3.900 0.685 + 52CLA CLA61649 -2.845 0.061 -2.584 + 0.00000 0.00000 0.00000 diff -r 000000000000 -r 0f270722aca6 test-data/test.pdb --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.pdb Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,61655 @@ +REMARK FILENAME: MINIMIZE.INP +REMARK PURPOSE: SETUP PERIODIC BOUNDARY CONDITIONS AND ENERGY MINIMIZATION +REMARK AUTHOR: THARINDU SENAPATHI +REMARK DATE: 9/25/18 11:16:58 CREATED BY USER: galaxy +ATOM 1 N SER 2 23.711 4.396 5.292 1.00 0.00 PRO +ATOM 2 HT1 SER 2 22.774 4.012 5.048 1.00 0.00 PRO +ATOM 3 HT2 SER 2 23.993 4.056 6.233 1.00 0.00 PRO +ATOM 4 HT3 SER 2 24.412 4.016 4.606 1.00 0.00 PRO +ATOM 5 CA SER 2 23.692 5.909 5.232 1.00 0.00 PRO +ATOM 6 HA SER 2 23.045 6.255 6.026 1.00 0.00 PRO +ATOM 7 CB SER 2 25.129 6.479 5.468 1.00 0.00 PRO +ATOM 8 HB1 SER 2 25.502 6.112 6.451 1.00 0.00 PRO +ATOM 9 HB2 SER 2 25.108 7.590 5.522 1.00 0.00 PRO +ATOM 10 OG SER 2 26.032 6.062 4.445 1.00 0.00 PRO +ATOM 11 HG1 SER 2 26.928 6.382 4.649 1.00 0.00 PRO +ATOM 12 C SER 2 23.087 6.445 3.945 1.00 0.00 PRO +ATOM 13 O SER 2 22.287 5.741 3.315 1.00 0.00 PRO +ATOM 14 N ALA 3 23.417 7.674 3.515 1.00 0.00 PRO +ATOM 15 HN ALA 3 24.112 8.236 3.961 1.00 0.00 PRO +ATOM 16 CA ALA 3 22.937 8.280 2.293 1.00 0.00 PRO +ATOM 17 HA ALA 3 22.421 7.554 1.681 1.00 0.00 PRO +ATOM 18 CB ALA 3 22.012 9.476 2.583 1.00 0.00 PRO +ATOM 19 HB1 ALA 3 22.509 10.220 3.241 1.00 0.00 PRO +ATOM 20 HB2 ALA 3 21.086 9.125 3.082 1.00 0.00 PRO +ATOM 21 HB3 ALA 3 21.718 9.984 1.638 1.00 0.00 PRO +ATOM 22 C ALA 3 24.147 8.753 1.509 1.00 0.00 PRO +ATOM 23 O ALA 3 25.174 9.077 2.073 1.00 0.00 PRO +ATOM 24 N CYS 4 24.005 8.749 0.169 1.00 0.00 PRO +ATOM 25 HN CYS 4 23.142 8.478 -0.258 1.00 0.00 PRO +ATOM 26 CA CYS 4 25.025 9.149 -0.766 1.00 0.00 PRO +ATOM 27 HA CYS 4 25.769 9.761 -0.272 1.00 0.00 PRO +ATOM 28 CB CYS 4 25.700 7.948 -1.484 1.00 0.00 PRO +ATOM 29 HB1 CYS 4 26.256 8.290 -2.382 1.00 0.00 PRO +ATOM 30 HB2 CYS 4 24.907 7.257 -1.851 1.00 0.00 PRO +ATOM 31 SG CYS 4 26.887 7.076 -0.411 1.00 0.00 PRO +ATOM 32 C CYS 4 24.341 10.034 -1.774 1.00 0.00 PRO +ATOM 33 O CYS 4 23.104 10.106 -1.853 1.00 0.00 PRO +ATOM 34 N THR 5 25.135 10.817 -2.507 1.00 0.00 PRO +ATOM 35 HN THR 5 26.125 10.731 -2.426 1.00 0.00 PRO +ATOM 36 CA THR 5 24.625 11.886 -3.343 1.00 0.00 PRO +ATOM 37 HA THR 5 23.595 11.683 -3.608 1.00 0.00 PRO +ATOM 38 CB THR 5 24.715 13.266 -2.674 1.00 0.00 PRO +ATOM 39 HB THR 5 24.358 14.060 -3.371 1.00 0.00 PRO +ATOM 40 OG1 THR 5 26.051 13.580 -2.272 1.00 0.00 PRO +ATOM 41 HG1 THR 5 26.535 13.523 -3.104 1.00 0.00 PRO +ATOM 42 CG2 THR 5 23.787 13.298 -1.447 1.00 0.00 PRO +ATOM 43 HG21 THR 5 24.126 12.589 -0.663 1.00 0.00 PRO +ATOM 44 HG22 THR 5 22.759 13.003 -1.749 1.00 0.00 PRO +ATOM 45 HG23 THR 5 23.752 14.313 -1.003 1.00 0.00 PRO +ATOM 46 C THR 5 25.385 11.902 -4.645 1.00 0.00 PRO +ATOM 47 O THR 5 25.810 12.965 -5.114 1.00 0.00 PRO +ATOM 48 N LEU 6 25.586 10.724 -5.272 1.00 0.00 PRO +ATOM 49 HN LEU 6 25.215 9.852 -4.893 1.00 0.00 PRO +ATOM 50 CA LEU 6 26.127 10.638 -6.616 1.00 0.00 PRO +ATOM 51 HA LEU 6 26.932 11.352 -6.725 1.00 0.00 PRO +ATOM 52 CB LEU 6 26.641 9.208 -6.941 1.00 0.00 PRO +ATOM 53 HB1 LEU 6 27.042 9.192 -7.977 1.00 0.00 PRO +ATOM 54 HB2 LEU 6 25.782 8.500 -6.874 1.00 0.00 PRO +ATOM 55 CG LEU 6 27.743 8.665 -6.003 1.00 0.00 PRO +ATOM 56 HG LEU 6 27.331 8.646 -4.964 1.00 0.00 PRO +ATOM 57 CD1 LEU 6 28.096 7.216 -6.379 1.00 0.00 PRO +ATOM 58 HD11 LEU 6 28.491 7.158 -7.414 1.00 0.00 PRO +ATOM 59 HD12 LEU 6 27.183 6.581 -6.314 1.00 0.00 PRO +ATOM 60 HD13 LEU 6 28.850 6.801 -5.679 1.00 0.00 PRO +ATOM 61 CD2 LEU 6 29.003 9.544 -6.018 1.00 0.00 PRO +ATOM 62 HD21 LEU 6 28.768 10.560 -5.636 1.00 0.00 PRO +ATOM 63 HD22 LEU 6 29.391 9.638 -7.053 1.00 0.00 PRO +ATOM 64 HD23 LEU 6 29.792 9.101 -5.375 1.00 0.00 PRO +ATOM 65 C LEU 6 25.048 11.016 -7.626 1.00 0.00 PRO +ATOM 66 O LEU 6 25.294 11.577 -8.684 1.00 0.00 PRO +ATOM 67 N GLN 7 23.781 10.752 -7.255 1.00 0.00 PRO +ATOM 68 HN GLN 7 23.571 10.241 -6.407 1.00 0.00 PRO +ATOM 69 CA GLN 7 22.620 11.133 -8.008 1.00 0.00 PRO +ATOM 70 HA GLN 7 22.910 11.663 -8.902 1.00 0.00 PRO +ATOM 71 CB GLN 7 21.779 9.898 -8.395 1.00 0.00 PRO +ATOM 72 HB1 GLN 7 20.982 10.215 -9.102 1.00 0.00 PRO +ATOM 73 HB2 GLN 7 21.285 9.484 -7.486 1.00 0.00 PRO +ATOM 74 CG GLN 7 22.652 8.783 -9.015 1.00 0.00 PRO +ATOM 75 HG1 GLN 7 23.330 8.342 -8.253 1.00 0.00 PRO +ATOM 76 HG2 GLN 7 23.266 9.210 -9.835 1.00 0.00 PRO +ATOM 77 CD GLN 7 21.807 7.667 -9.619 1.00 0.00 PRO +ATOM 78 OE1 GLN 7 21.902 7.436 -10.823 1.00 0.00 PRO +ATOM 79 NE2 GLN 7 20.967 7.008 -8.795 1.00 0.00 PRO +ATOM 80 HE21 GLN 7 20.851 7.309 -7.850 1.00 0.00 PRO +ATOM 81 HE22 GLN 7 20.348 6.341 -9.206 1.00 0.00 PRO +ATOM 82 C GLN 7 21.833 12.073 -7.121 1.00 0.00 PRO +ATOM 83 O GLN 7 21.760 11.941 -5.900 1.00 0.00 PRO +ATOM 84 N SER 8 21.249 13.130 -7.698 1.00 0.00 PRO +ATOM 85 HN SER 8 21.201 13.257 -8.683 1.00 0.00 PRO +ATOM 86 CA SER 8 20.490 14.080 -6.917 1.00 0.00 PRO +ATOM 87 HA SER 8 21.020 14.262 -5.992 1.00 0.00 PRO +ATOM 88 CB SER 8 20.347 15.443 -7.632 1.00 0.00 PRO +ATOM 89 HB1 SER 8 21.370 15.877 -7.706 1.00 0.00 PRO +ATOM 90 HB2 SER 8 19.708 16.147 -7.054 1.00 0.00 PRO +ATOM 91 OG SER 8 19.868 15.302 -8.970 1.00 0.00 PRO +ATOM 92 HG1 SER 8 18.972 14.930 -8.936 1.00 0.00 PRO +ATOM 93 C SER 8 19.127 13.556 -6.533 1.00 0.00 PRO +ATOM 94 O SER 8 18.357 13.117 -7.389 1.00 0.00 PRO +ATOM 95 N GLU 9 18.782 13.614 -5.238 1.00 0.00 PRO +ATOM 96 HN GLU 9 19.389 13.991 -4.543 1.00 0.00 PRO +ATOM 97 CA GLU 9 17.466 13.247 -4.769 1.00 0.00 PRO +ATOM 98 HA GLU 9 17.031 12.520 -5.444 1.00 0.00 PRO +ATOM 99 CB GLU 9 17.489 12.626 -3.349 1.00 0.00 PRO +ATOM 100 HB1 GLU 9 18.034 13.313 -2.665 1.00 0.00 PRO +ATOM 101 HB2 GLU 9 18.079 11.684 -3.400 1.00 0.00 PRO +ATOM 102 CG GLU 9 16.085 12.301 -2.752 1.00 0.00 PRO +ATOM 103 HG1 GLU 9 15.474 13.218 -2.645 1.00 0.00 PRO +ATOM 104 HG2 GLU 9 16.213 11.879 -1.732 1.00 0.00 PRO +ATOM 105 CD GLU 9 15.327 11.259 -3.579 1.00 0.00 PRO +ATOM 106 OE1 GLU 9 15.926 10.586 -4.419 1.00 0.00 PRO +ATOM 107 OE2 GLU 9 14.079 11.058 -3.353 1.00 0.00 PRO +ATOM 108 C GLU 9 16.598 14.478 -4.811 1.00 0.00 PRO +ATOM 109 O GLU 9 16.942 15.526 -4.263 1.00 0.00 PRO +ATOM 110 N THR 10 15.485 14.410 -5.551 1.00 0.00 PRO +ATOM 111 HN THR 10 15.220 13.544 -5.975 1.00 0.00 PRO +ATOM 112 CA THR 10 14.551 15.513 -5.662 1.00 0.00 PRO +ATOM 113 HA THR 10 14.639 16.163 -4.804 1.00 0.00 PRO +ATOM 114 CB THR 10 14.706 16.316 -6.950 1.00 0.00 PRO +ATOM 115 HB THR 10 14.619 15.633 -7.828 1.00 0.00 PRO +ATOM 116 OG1 THR 10 15.992 16.928 -6.999 1.00 0.00 PRO +ATOM 117 HG1 THR 10 16.583 16.237 -6.682 1.00 0.00 PRO +ATOM 118 CG2 THR 10 13.652 17.430 -7.061 1.00 0.00 PRO +ATOM 119 HG21 THR 10 13.615 18.024 -6.124 1.00 0.00 PRO +ATOM 120 HG22 THR 10 12.642 17.004 -7.241 1.00 0.00 PRO +ATOM 121 HG23 THR 10 13.905 18.104 -7.906 1.00 0.00 PRO +ATOM 122 C THR 10 13.176 14.915 -5.640 1.00 0.00 PRO +ATOM 123 O THR 10 12.838 14.098 -6.486 1.00 0.00 PRO +ATOM 124 N HSD 11 12.346 15.321 -4.667 1.00 0.00 PRO +ATOM 125 HN HSD 11 12.649 15.974 -3.975 1.00 0.00 PRO +ATOM 126 CA HSD 11 11.023 14.768 -4.478 1.00 0.00 PRO +ATOM 127 HA HSD 11 11.053 13.705 -4.685 1.00 0.00 PRO +ATOM 128 CB HSD 11 10.600 14.949 -3.006 1.00 0.00 PRO +ATOM 129 HB1 HSD 11 9.633 14.441 -2.806 1.00 0.00 PRO +ATOM 130 HB2 HSD 11 10.481 16.032 -2.785 1.00 0.00 PRO +ATOM 131 ND1 HSD 11 12.230 15.134 -1.063 1.00 0.00 PRO +ATOM 132 HD1 HSD 11 12.145 16.120 -0.898 1.00 0.00 PRO +ATOM 133 CG HSD 11 11.611 14.393 -2.043 1.00 0.00 PRO +ATOM 134 CE1 HSD 11 12.976 14.266 -0.329 1.00 0.00 PRO +ATOM 135 HE1 HSD 11 13.562 14.554 0.541 1.00 0.00 PRO +ATOM 136 NE2 HSD 11 12.876 13.040 -0.775 1.00 0.00 PRO +ATOM 137 CD2 HSD 11 12.012 13.103 -1.855 1.00 0.00 PRO +ATOM 138 HD2 HSD 11 11.739 12.209 -2.395 1.00 0.00 PRO +ATOM 139 C HSD 11 10.010 15.460 -5.377 1.00 0.00 PRO +ATOM 140 O HSD 11 9.957 16.715 -5.351 1.00 0.00 PRO +ATOM 141 N PRO 12 9.189 14.808 -6.198 1.00 0.00 PRO +ATOM 142 CD PRO 12 9.387 13.417 -6.628 1.00 0.00 PRO +ATOM 143 HD1 PRO 12 9.010 12.734 -5.838 1.00 0.00 PRO +ATOM 144 HD2 PRO 12 10.460 13.203 -6.823 1.00 0.00 PRO +ATOM 145 CA PRO 12 8.109 15.450 -6.935 1.00 0.00 PRO +ATOM 146 HA PRO 12 8.587 16.160 -7.584 1.00 0.00 PRO +ATOM 147 CB PRO 12 7.448 14.316 -7.735 1.00 0.00 PRO +ATOM 148 HB1 PRO 12 7.061 14.666 -8.714 1.00 0.00 PRO +ATOM 149 HB2 PRO 12 6.612 13.856 -7.165 1.00 0.00 PRO +ATOM 150 CG PRO 12 8.556 13.272 -7.904 1.00 0.00 PRO +ATOM 151 HG1 PRO 12 8.155 12.245 -8.028 1.00 0.00 PRO +ATOM 152 HG2 PRO 12 9.179 13.526 -8.787 1.00 0.00 PRO +ATOM 153 C PRO 12 7.118 16.192 -6.031 1.00 0.00 PRO +ATOM 154 O PRO 12 6.596 15.538 -5.132 1.00 0.00 PRO +ATOM 155 N PRO 13 6.824 17.487 -6.179 1.00 0.00 PRO +ATOM 156 CD PRO 13 7.274 18.328 -7.289 1.00 0.00 PRO +ATOM 157 HD1 PRO 13 7.217 17.796 -8.265 1.00 0.00 PRO +ATOM 158 HD2 PRO 13 8.316 18.644 -7.070 1.00 0.00 PRO +ATOM 159 CA PRO 13 5.822 18.167 -5.371 1.00 0.00 PRO +ATOM 160 HA PRO 13 6.053 18.028 -4.324 1.00 0.00 PRO +ATOM 161 CB PRO 13 5.937 19.635 -5.804 1.00 0.00 PRO +ATOM 162 HB1 PRO 13 6.765 20.110 -5.230 1.00 0.00 PRO +ATOM 163 HB2 PRO 13 5.006 20.213 -5.633 1.00 0.00 PRO +ATOM 164 CG PRO 13 6.333 19.534 -7.275 1.00 0.00 PRO +ATOM 165 HG1 PRO 13 5.428 19.296 -7.870 1.00 0.00 PRO +ATOM 166 HG2 PRO 13 6.803 20.455 -7.671 1.00 0.00 PRO +ATOM 167 C PRO 13 4.436 17.610 -5.597 1.00 0.00 PRO +ATOM 168 O PRO 13 4.103 17.236 -6.732 1.00 0.00 PRO +ATOM 169 N LEU 14 3.621 17.546 -4.544 1.00 0.00 PRO +ATOM 170 HN LEU 14 3.933 17.852 -3.638 1.00 0.00 PRO +ATOM 171 CA LEU 14 2.247 17.128 -4.654 1.00 0.00 PRO +ATOM 172 HA LEU 14 1.881 17.345 -5.649 1.00 0.00 PRO +ATOM 173 CB LEU 14 2.101 15.617 -4.348 1.00 0.00 PRO +ATOM 174 HB1 LEU 14 2.463 15.421 -3.314 1.00 0.00 PRO +ATOM 175 HB2 LEU 14 2.775 15.063 -5.040 1.00 0.00 PRO +ATOM 176 CG LEU 14 0.680 15.037 -4.504 1.00 0.00 PRO +ATOM 177 HG LEU 14 -0.020 15.602 -3.841 1.00 0.00 PRO +ATOM 178 CD1 LEU 14 0.169 15.144 -5.948 1.00 0.00 PRO +ATOM 179 HD11 LEU 14 0.869 14.639 -6.646 1.00 0.00 PRO +ATOM 180 HD12 LEU 14 0.063 16.203 -6.258 1.00 0.00 PRO +ATOM 181 HD13 LEU 14 -0.824 14.651 -6.039 1.00 0.00 PRO +ATOM 182 CD2 LEU 14 0.660 13.570 -4.055 1.00 0.00 PRO +ATOM 183 HD21 LEU 14 1.030 13.476 -3.013 1.00 0.00 PRO +ATOM 184 HD22 LEU 14 1.306 12.953 -4.715 1.00 0.00 PRO +ATOM 185 HD23 LEU 14 -0.374 13.169 -4.098 1.00 0.00 PRO +ATOM 186 C LEU 14 1.441 17.965 -3.688 1.00 0.00 PRO +ATOM 187 O LEU 14 1.741 18.061 -2.500 1.00 0.00 PRO +ATOM 188 N THR 15 0.391 18.635 -4.191 1.00 0.00 PRO +ATOM 189 HN THR 15 0.154 18.599 -5.162 1.00 0.00 PRO +ATOM 190 CA THR 15 -0.461 19.457 -3.349 1.00 0.00 PRO +ATOM 191 HA THR 15 0.070 19.703 -2.441 1.00 0.00 PRO +ATOM 192 CB THR 15 -0.862 20.801 -3.947 1.00 0.00 PRO +ATOM 193 HB THR 15 -1.463 21.372 -3.203 1.00 0.00 PRO +ATOM 194 OG1 THR 15 -1.620 20.699 -5.145 1.00 0.00 PRO +ATOM 195 HG1 THR 15 -1.937 21.600 -5.287 1.00 0.00 PRO +ATOM 196 CG2 THR 15 0.409 21.604 -4.259 1.00 0.00 PRO +ATOM 197 HG21 THR 15 1.034 21.087 -5.019 1.00 0.00 PRO +ATOM 198 HG22 THR 15 1.013 21.738 -3.337 1.00 0.00 PRO +ATOM 199 HG23 THR 15 0.153 22.610 -4.651 1.00 0.00 PRO +ATOM 200 C THR 15 -1.686 18.687 -2.919 1.00 0.00 PRO +ATOM 201 O THR 15 -2.102 17.703 -3.519 1.00 0.00 PRO +ATOM 202 N TRP 16 -2.291 19.128 -1.809 1.00 0.00 PRO +ATOM 203 HN TRP 16 -1.958 19.933 -1.315 1.00 0.00 PRO +ATOM 204 CA TRP 16 -3.428 18.459 -1.235 1.00 0.00 PRO +ATOM 205 HA TRP 16 -4.091 18.146 -2.032 1.00 0.00 PRO +ATOM 206 CB TRP 16 -3.026 17.205 -0.396 1.00 0.00 PRO +ATOM 207 HB1 TRP 16 -2.566 16.476 -1.100 1.00 0.00 PRO +ATOM 208 HB2 TRP 16 -3.945 16.718 -0.006 1.00 0.00 PRO +ATOM 209 CG TRP 16 -2.071 17.417 0.738 1.00 0.00 PRO +ATOM 210 CD1 TRP 16 -0.704 17.550 0.659 1.00 0.00 PRO +ATOM 211 HD1 TRP 16 -0.144 17.525 -0.271 1.00 0.00 PRO +ATOM 212 NE1 TRP 16 -0.185 17.692 1.925 1.00 0.00 PRO +ATOM 213 HE1 TRP 16 0.760 17.754 2.180 1.00 0.00 PRO +ATOM 214 CE2 TRP 16 -1.190 17.626 2.843 1.00 0.00 PRO +ATOM 215 CD2 TRP 16 -2.403 17.453 2.137 1.00 0.00 PRO +ATOM 216 CE3 TRP 16 -3.603 17.343 2.844 1.00 0.00 PRO +ATOM 217 HE3 TRP 16 -4.539 17.188 2.330 1.00 0.00 PRO +ATOM 218 CZ3 TRP 16 -3.568 17.415 4.239 1.00 0.00 PRO +ATOM 219 HZ3 TRP 16 -4.493 17.321 4.791 1.00 0.00 PRO +ATOM 220 CZ2 TRP 16 -1.157 17.696 4.226 1.00 0.00 PRO +ATOM 221 HZ2 TRP 16 -0.223 17.826 4.754 1.00 0.00 PRO +ATOM 222 CH2 TRP 16 -2.364 17.575 4.918 1.00 0.00 PRO +ATOM 223 HH2 TRP 16 -2.355 17.579 5.997 1.00 0.00 PRO +ATOM 224 C TRP 16 -4.181 19.500 -0.439 1.00 0.00 PRO +ATOM 225 O TRP 16 -3.735 20.649 -0.311 1.00 0.00 PRO +ATOM 226 N GLN 17 -5.373 19.167 0.056 1.00 0.00 PRO +ATOM 227 HN GLN 17 -5.732 18.240 -0.097 1.00 0.00 PRO +ATOM 228 CA GLN 17 -6.256 20.100 0.724 1.00 0.00 PRO +ATOM 229 HA GLN 17 -5.833 21.093 0.726 1.00 0.00 PRO +ATOM 230 CB GLN 17 -7.642 20.124 0.032 1.00 0.00 PRO +ATOM 231 HB1 GLN 17 -8.375 20.686 0.654 1.00 0.00 PRO +ATOM 232 HB2 GLN 17 -8.002 19.076 -0.034 1.00 0.00 PRO +ATOM 233 CG GLN 17 -7.637 20.726 -1.392 1.00 0.00 PRO +ATOM 234 HG1 GLN 17 -8.635 20.582 -1.855 1.00 0.00 PRO +ATOM 235 HG2 GLN 17 -6.887 20.209 -2.023 1.00 0.00 PRO +ATOM 236 CD GLN 17 -7.384 22.234 -1.348 1.00 0.00 PRO +ATOM 237 OE1 GLN 17 -8.084 22.953 -0.633 1.00 0.00 PRO +ATOM 238 NE2 GLN 17 -6.416 22.743 -2.147 1.00 0.00 PRO +ATOM 239 HE21 GLN 17 -6.339 23.736 -2.184 1.00 0.00 PRO +ATOM 240 HE22 GLN 17 -5.919 22.141 -2.773 1.00 0.00 PRO +ATOM 241 C GLN 17 -6.473 19.689 2.166 1.00 0.00 PRO +ATOM 242 O GLN 17 -6.720 18.544 2.474 1.00 0.00 PRO +ATOM 243 N LYS 18 -6.429 20.684 3.084 1.00 0.00 PRO +ATOM 244 HN LYS 18 -6.218 21.623 2.820 1.00 0.00 PRO +ATOM 245 CA LYS 18 -6.812 20.438 4.456 1.00 0.00 PRO +ATOM 246 HA LYS 18 -7.043 19.394 4.608 1.00 0.00 PRO +ATOM 247 CB LYS 18 -5.718 20.824 5.476 1.00 0.00 PRO +ATOM 248 HB1 LYS 18 -5.574 21.925 5.479 1.00 0.00 PRO +ATOM 249 HB2 LYS 18 -4.765 20.363 5.131 1.00 0.00 PRO +ATOM 250 CG LYS 18 -6.023 20.289 6.889 1.00 0.00 PRO +ATOM 251 HG1 LYS 18 -5.987 19.178 6.847 1.00 0.00 PRO +ATOM 252 HG2 LYS 18 -7.059 20.576 7.186 1.00 0.00 PRO +ATOM 253 CD LYS 18 -5.051 20.821 7.952 1.00 0.00 PRO +ATOM 254 HD1 LYS 18 -5.244 21.913 8.045 1.00 0.00 PRO +ATOM 255 HD2 LYS 18 -3.999 20.709 7.610 1.00 0.00 PRO +ATOM 256 CE LYS 18 -5.232 20.216 9.359 1.00 0.00 PRO +ATOM 257 HE1 LYS 18 -6.292 20.304 9.668 1.00 0.00 PRO +ATOM 258 HE2 LYS 18 -4.600 20.778 10.071 1.00 0.00 PRO +ATOM 259 NZ LYS 18 -4.841 18.790 9.433 1.00 0.00 PRO +ATOM 260 HZ1 LYS 18 -3.823 18.698 9.162 1.00 0.00 PRO +ATOM 261 HZ2 LYS 18 -5.430 18.231 8.792 1.00 0.00 PRO +ATOM 262 HZ3 LYS 18 -4.939 18.418 10.401 1.00 0.00 PRO +ATOM 263 C LYS 18 -8.072 21.226 4.708 1.00 0.00 PRO +ATOM 264 O LYS 18 -8.096 22.467 4.574 1.00 0.00 PRO +ATOM 265 N CYS 19 -9.157 20.528 5.034 1.00 0.00 PRO +ATOM 266 HN CYS 19 -9.075 19.529 5.166 1.00 0.00 PRO +ATOM 267 CA CYS 19 -10.480 21.079 5.219 1.00 0.00 PRO +ATOM 268 HA CYS 19 -10.508 22.076 4.814 1.00 0.00 PRO +ATOM 269 CB CYS 19 -11.559 20.246 4.494 1.00 0.00 PRO +ATOM 270 HB1 CYS 19 -12.566 20.689 4.653 1.00 0.00 PRO +ATOM 271 HB2 CYS 19 -11.583 19.220 4.918 1.00 0.00 PRO +ATOM 272 SG CYS 19 -11.246 20.124 2.705 1.00 0.00 PRO +ATOM 273 C CYS 19 -10.796 21.215 6.695 1.00 0.00 PRO +ATOM 274 O CYS 19 -10.115 20.696 7.567 1.00 0.00 PRO +ATOM 275 N SER 20 -11.845 21.998 6.997 1.00 0.00 PRO +ATOM 276 HN SER 20 -12.388 22.424 6.277 1.00 0.00 PRO +ATOM 277 CA SER 20 -12.191 22.357 8.353 1.00 0.00 PRO +ATOM 278 HA SER 20 -11.751 21.652 9.045 1.00 0.00 PRO +ATOM 279 CB SER 20 -11.740 23.802 8.702 1.00 0.00 PRO +ATOM 280 HB1 SER 20 -10.636 23.875 8.576 1.00 0.00 PRO +ATOM 281 HB2 SER 20 -11.970 24.042 9.763 1.00 0.00 PRO +ATOM 282 OG SER 20 -12.385 24.777 7.881 1.00 0.00 PRO +ATOM 283 HG1 SER 20 -12.000 24.737 6.986 1.00 0.00 PRO +ATOM 284 C SER 20 -13.683 22.280 8.545 1.00 0.00 PRO +ATOM 285 O SER 20 -14.471 22.294 7.599 1.00 0.00 PRO +ATOM 286 N SER 21 -14.121 22.255 9.813 1.00 0.00 PRO +ATOM 287 HN SER 21 -13.497 22.257 10.593 1.00 0.00 PRO +ATOM 288 CA SER 21 -15.521 22.195 10.186 1.00 0.00 PRO +ATOM 289 HA SER 21 -16.006 21.460 9.559 1.00 0.00 PRO +ATOM 290 CB SER 21 -15.662 21.771 11.666 1.00 0.00 PRO +ATOM 291 HB1 SER 21 -15.213 20.758 11.782 1.00 0.00 PRO +ATOM 292 HB2 SER 21 -16.733 21.693 11.961 1.00 0.00 PRO +ATOM 293 OG SER 21 -14.953 22.679 12.520 1.00 0.00 PRO +ATOM 294 HG1 SER 21 -15.499 23.469 12.602 1.00 0.00 PRO +ATOM 295 C SER 21 -16.247 23.520 10.000 1.00 0.00 PRO +ATOM 296 O SER 21 -17.463 23.602 10.125 1.00 0.00 PRO +ATOM 297 N GLY 22 -15.495 24.608 9.710 1.00 0.00 PRO +ATOM 298 HN GLY 22 -14.504 24.511 9.658 1.00 0.00 PRO +ATOM 299 CA GLY 22 -16.039 25.911 9.330 1.00 0.00 PRO +ATOM 300 HA1 GLY 22 -15.229 26.626 9.359 1.00 0.00 PRO +ATOM 301 HA2 GLY 22 -16.855 26.170 9.989 1.00 0.00 PRO +ATOM 302 C GLY 22 -16.573 25.912 7.922 1.00 0.00 PRO +ATOM 303 O GLY 22 -17.409 26.737 7.550 1.00 0.00 PRO +ATOM 304 N GLY 23 -16.099 24.966 7.092 1.00 0.00 PRO +ATOM 305 HN GLY 23 -15.423 24.314 7.438 1.00 0.00 PRO +ATOM 306 CA GLY 23 -16.609 24.750 5.745 1.00 0.00 PRO +ATOM 307 HA1 GLY 23 -17.557 25.248 5.605 1.00 0.00 PRO +ATOM 308 HA2 GLY 23 -16.676 23.684 5.611 1.00 0.00 PRO +ATOM 309 C GLY 23 -15.673 25.256 4.700 1.00 0.00 PRO +ATOM 310 O GLY 23 -16.087 25.544 3.576 1.00 0.00 PRO +ATOM 311 N THR 24 -14.390 25.391 5.035 1.00 0.00 PRO +ATOM 312 HN THR 24 -14.080 25.192 5.963 1.00 0.00 PRO +ATOM 313 CA THR 24 -13.361 25.906 4.146 1.00 0.00 PRO +ATOM 314 HA THR 24 -13.761 26.018 3.148 1.00 0.00 PRO +ATOM 315 CB THR 24 -12.770 27.246 4.581 1.00 0.00 PRO +ATOM 316 HB THR 24 -11.891 27.527 3.955 1.00 0.00 PRO +ATOM 317 OG1 THR 24 -12.380 27.240 5.954 1.00 0.00 PRO +ATOM 318 HG1 THR 24 -12.155 28.155 6.179 1.00 0.00 PRO +ATOM 319 CG2 THR 24 -13.856 28.315 4.407 1.00 0.00 PRO +ATOM 320 HG21 THR 24 -14.708 28.134 5.096 1.00 0.00 PRO +ATOM 321 HG22 THR 24 -14.243 28.298 3.366 1.00 0.00 PRO +ATOM 322 HG23 THR 24 -13.447 29.326 4.610 1.00 0.00 PRO +ATOM 323 C THR 24 -12.243 24.897 4.059 1.00 0.00 PRO +ATOM 324 O THR 24 -11.960 24.161 4.988 1.00 0.00 PRO +ATOM 325 N CYS 25 -11.574 24.863 2.884 1.00 0.00 PRO +ATOM 326 HN CYS 25 -11.833 25.441 2.118 1.00 0.00 PRO +ATOM 327 CA CYS 25 -10.392 24.063 2.686 1.00 0.00 PRO +ATOM 328 HA CYS 25 -10.076 23.630 3.623 1.00 0.00 PRO +ATOM 329 CB CYS 25 -10.570 22.936 1.634 1.00 0.00 PRO +ATOM 330 HB1 CYS 25 -9.641 22.331 1.575 1.00 0.00 PRO +ATOM 331 HB2 CYS 25 -10.719 23.417 0.644 1.00 0.00 PRO +ATOM 332 SG CYS 25 -12.003 21.847 1.936 1.00 0.00 PRO +ATOM 333 C CYS 25 -9.276 24.982 2.271 1.00 0.00 PRO +ATOM 334 O CYS 25 -9.520 26.111 1.788 1.00 0.00 PRO +ATOM 335 N THR 26 -8.036 24.567 2.505 1.00 0.00 PRO +ATOM 336 HN THR 26 -7.886 23.646 2.880 1.00 0.00 PRO +ATOM 337 CA THR 26 -6.838 25.356 2.269 1.00 0.00 PRO +ATOM 338 HA THR 26 -7.046 26.125 1.540 1.00 0.00 PRO +ATOM 339 CB THR 26 -6.248 25.987 3.538 1.00 0.00 PRO +ATOM 340 HB THR 26 -5.223 26.392 3.344 1.00 0.00 PRO +ATOM 341 OG1 THR 26 -6.205 25.070 4.633 1.00 0.00 PRO +ATOM 342 HG1 THR 26 -7.022 24.562 4.543 1.00 0.00 PRO +ATOM 343 CG2 THR 26 -7.146 27.154 3.973 1.00 0.00 PRO +ATOM 344 HG21 THR 26 -8.155 26.793 4.263 1.00 0.00 PRO +ATOM 345 HG22 THR 26 -7.275 27.881 3.143 1.00 0.00 PRO +ATOM 346 HG23 THR 26 -6.700 27.684 4.842 1.00 0.00 PRO +ATOM 347 C THR 26 -5.793 24.440 1.676 1.00 0.00 PRO +ATOM 348 O THR 26 -5.588 23.337 2.148 1.00 0.00 PRO +ATOM 349 N GLN 27 -5.112 24.898 0.593 1.00 0.00 PRO +ATOM 350 HN GLN 27 -5.366 25.755 0.147 1.00 0.00 PRO +ATOM 351 CA GLN 27 -4.015 24.139 0.018 1.00 0.00 PRO +ATOM 352 HA GLN 27 -4.410 23.153 -0.181 1.00 0.00 PRO +ATOM 353 CB GLN 27 -3.550 24.697 -1.360 1.00 0.00 PRO +ATOM 354 HB1 GLN 27 -3.208 25.744 -1.217 1.00 0.00 PRO +ATOM 355 HB2 GLN 27 -4.447 24.727 -2.018 1.00 0.00 PRO +ATOM 356 CG GLN 27 -2.432 23.860 -2.042 1.00 0.00 PRO +ATOM 357 HG1 GLN 27 -2.756 22.799 -2.088 1.00 0.00 PRO +ATOM 358 HG2 GLN 27 -1.488 23.904 -1.459 1.00 0.00 PRO +ATOM 359 CD GLN 27 -2.120 24.305 -3.471 1.00 0.00 PRO +ATOM 360 OE1 GLN 27 -2.335 23.596 -4.454 1.00 0.00 PRO +ATOM 361 NE2 GLN 27 -1.561 25.534 -3.604 1.00 0.00 PRO +ATOM 362 HE21 GLN 27 -1.279 25.825 -4.506 1.00 0.00 PRO +ATOM 363 HE22 GLN 27 -1.232 26.011 -2.789 1.00 0.00 PRO +ATOM 364 C GLN 27 -2.831 23.922 0.956 1.00 0.00 PRO +ATOM 365 O GLN 27 -2.388 24.799 1.704 1.00 0.00 PRO +ATOM 366 N GLN 28 -2.294 22.701 0.927 1.00 0.00 PRO +ATOM 367 HN GLN 28 -2.709 21.991 0.347 1.00 0.00 PRO +ATOM 368 CA GLN 28 -1.105 22.280 1.616 1.00 0.00 PRO +ATOM 369 HA GLN 28 -0.662 23.102 2.167 1.00 0.00 PRO +ATOM 370 CB GLN 28 -1.397 21.063 2.525 1.00 0.00 PRO +ATOM 371 HB1 GLN 28 -0.488 20.812 3.118 1.00 0.00 PRO +ATOM 372 HB2 GLN 28 -1.630 20.184 1.880 1.00 0.00 PRO +ATOM 373 CG GLN 28 -2.607 21.229 3.476 1.00 0.00 PRO +ATOM 374 HG1 GLN 28 -2.697 20.303 4.083 1.00 0.00 PRO +ATOM 375 HG2 GLN 28 -3.540 21.336 2.886 1.00 0.00 PRO +ATOM 376 CD GLN 28 -2.453 22.398 4.449 1.00 0.00 PRO +ATOM 377 OE1 GLN 28 -1.598 22.395 5.329 1.00 0.00 PRO +ATOM 378 NE2 GLN 28 -3.331 23.427 4.344 1.00 0.00 PRO +ATOM 379 HE21 GLN 28 -3.970 23.457 3.570 1.00 0.00 PRO +ATOM 380 HE22 GLN 28 -3.236 24.178 4.980 1.00 0.00 PRO +ATOM 381 C GLN 28 -0.170 21.847 0.508 1.00 0.00 PRO +ATOM 382 O GLN 28 -0.614 21.398 -0.554 1.00 0.00 PRO +ATOM 383 N THR 29 1.149 21.991 0.699 1.00 0.00 PRO +ATOM 384 HN THR 29 1.518 22.297 1.575 1.00 0.00 PRO +ATOM 385 CA THR 29 2.119 21.594 -0.315 1.00 0.00 PRO +ATOM 386 HA THR 29 1.633 21.094 -1.139 1.00 0.00 PRO +ATOM 387 CB THR 29 2.930 22.757 -0.874 1.00 0.00 PRO +ATOM 388 HB THR 29 3.518 23.252 -0.066 1.00 0.00 PRO +ATOM 389 OG1 THR 29 2.064 23.737 -1.438 1.00 0.00 PRO +ATOM 390 HG1 THR 29 1.415 23.925 -0.753 1.00 0.00 PRO +ATOM 391 CG2 THR 29 3.870 22.274 -1.987 1.00 0.00 PRO +ATOM 392 HG21 THR 29 3.305 21.745 -2.782 1.00 0.00 PRO +ATOM 393 HG22 THR 29 4.642 21.578 -1.593 1.00 0.00 PRO +ATOM 394 HG23 THR 29 4.404 23.128 -2.450 1.00 0.00 PRO +ATOM 395 C THR 29 3.066 20.603 0.314 1.00 0.00 PRO +ATOM 396 O THR 29 3.767 20.926 1.256 1.00 0.00 PRO +ATOM 397 N GLY 30 3.077 19.358 -0.219 1.00 0.00 PRO +ATOM 398 HN GLY 30 2.527 19.134 -1.023 1.00 0.00 PRO +ATOM 399 CA GLY 30 3.979 18.297 0.196 1.00 0.00 PRO +ATOM 400 HA1 GLY 30 3.374 17.465 0.530 1.00 0.00 PRO +ATOM 401 HA2 GLY 30 4.682 18.641 0.942 1.00 0.00 PRO +ATOM 402 C GLY 30 4.762 17.829 -0.992 1.00 0.00 PRO +ATOM 403 O GLY 30 4.875 18.519 -2.013 1.00 0.00 PRO +ATOM 404 N SER 31 5.301 16.618 -0.922 1.00 0.00 PRO +ATOM 405 HN SER 31 5.212 16.040 -0.109 1.00 0.00 PRO +ATOM 406 CA SER 31 6.070 16.028 -1.999 1.00 0.00 PRO +ATOM 407 HA SER 31 5.552 16.208 -2.928 1.00 0.00 PRO +ATOM 408 CB SER 31 7.527 16.566 -2.105 1.00 0.00 PRO +ATOM 409 HB1 SER 31 7.476 17.655 -2.332 1.00 0.00 PRO +ATOM 410 HB2 SER 31 8.051 16.072 -2.951 1.00 0.00 PRO +ATOM 411 OG SER 31 8.256 16.386 -0.888 1.00 0.00 PRO +ATOM 412 HG1 SER 31 9.159 16.705 -1.014 1.00 0.00 PRO +ATOM 413 C SER 31 6.030 14.535 -1.776 1.00 0.00 PRO +ATOM 414 O SER 31 5.547 14.087 -0.745 1.00 0.00 PRO +ATOM 415 N VAL 32 6.465 13.729 -2.769 1.00 0.00 PRO +ATOM 416 HN VAL 32 6.814 14.104 -3.623 1.00 0.00 PRO +ATOM 417 CA VAL 32 6.449 12.276 -2.662 1.00 0.00 PRO +ATOM 418 HA VAL 32 6.096 12.001 -1.683 1.00 0.00 PRO +ATOM 419 CB VAL 32 5.538 11.572 -3.673 1.00 0.00 PRO +ATOM 420 HB VAL 32 5.636 10.467 -3.543 1.00 0.00 PRO +ATOM 421 CG1 VAL 32 4.072 11.937 -3.366 1.00 0.00 PRO +ATOM 422 HG11 VAL 32 3.903 13.026 -3.498 1.00 0.00 PRO +ATOM 423 HG12 VAL 32 3.819 11.662 -2.319 1.00 0.00 PRO +ATOM 424 HG13 VAL 32 3.390 11.388 -4.049 1.00 0.00 PRO +ATOM 425 CG2 VAL 32 5.910 11.923 -5.126 1.00 0.00 PRO +ATOM 426 HG21 VAL 32 6.954 11.625 -5.356 1.00 0.00 PRO +ATOM 427 HG22 VAL 32 5.802 13.013 -5.299 1.00 0.00 PRO +ATOM 428 HG23 VAL 32 5.238 11.389 -5.831 1.00 0.00 PRO +ATOM 429 C VAL 32 7.857 11.724 -2.755 1.00 0.00 PRO +ATOM 430 O VAL 32 8.701 12.235 -3.483 1.00 0.00 PRO +ATOM 431 N VAL 33 8.141 10.663 -1.979 1.00 0.00 PRO +ATOM 432 HN VAL 33 7.449 10.283 -1.364 1.00 0.00 PRO +ATOM 433 CA VAL 33 9.444 10.027 -1.933 1.00 0.00 PRO +ATOM 434 HA VAL 33 10.053 10.410 -2.736 1.00 0.00 PRO +ATOM 435 CB VAL 33 10.179 10.314 -0.630 1.00 0.00 PRO +ATOM 436 HB VAL 33 10.322 11.418 -0.583 1.00 0.00 PRO +ATOM 437 CG1 VAL 33 9.365 9.882 0.601 1.00 0.00 PRO +ATOM 438 HG11 VAL 33 9.267 8.779 0.642 1.00 0.00 PRO +ATOM 439 HG12 VAL 33 8.353 10.336 0.607 1.00 0.00 PRO +ATOM 440 HG13 VAL 33 9.893 10.214 1.521 1.00 0.00 PRO +ATOM 441 CG2 VAL 33 11.578 9.671 -0.601 1.00 0.00 PRO +ATOM 442 HG21 VAL 33 12.186 10.020 -1.461 1.00 0.00 PRO +ATOM 443 HG22 VAL 33 11.521 8.564 -0.594 1.00 0.00 PRO +ATOM 444 HG23 VAL 33 12.102 9.991 0.326 1.00 0.00 PRO +ATOM 445 C VAL 33 9.296 8.548 -2.184 1.00 0.00 PRO +ATOM 446 O VAL 33 8.388 7.904 -1.649 1.00 0.00 PRO +ATOM 447 N ILE 34 10.145 7.966 -3.051 1.00 0.00 PRO +ATOM 448 HN ILE 34 10.859 8.515 -3.495 1.00 0.00 PRO +ATOM 449 CA ILE 34 10.126 6.542 -3.345 1.00 0.00 PRO +ATOM 450 HA ILE 34 9.099 6.217 -3.295 1.00 0.00 PRO +ATOM 451 CB ILE 34 10.631 6.211 -4.755 1.00 0.00 PRO +ATOM 452 HB ILE 34 10.122 6.919 -5.450 1.00 0.00 PRO +ATOM 453 CG2 ILE 34 12.155 6.442 -4.878 1.00 0.00 PRO +ATOM 454 HG21 ILE 34 12.718 5.711 -4.258 1.00 0.00 PRO +ATOM 455 HG22 ILE 34 12.429 7.466 -4.551 1.00 0.00 PRO +ATOM 456 HG23 ILE 34 12.481 6.321 -5.931 1.00 0.00 PRO +ATOM 457 CG1 ILE 34 10.209 4.788 -5.205 1.00 0.00 PRO +ATOM 458 HG11 ILE 34 9.135 4.643 -4.950 1.00 0.00 PRO +ATOM 459 HG12 ILE 34 10.793 4.028 -4.641 1.00 0.00 PRO +ATOM 460 CD ILE 34 10.373 4.548 -6.711 1.00 0.00 PRO +ATOM 461 HD1 ILE 34 11.443 4.595 -7.005 1.00 0.00 PRO +ATOM 462 HD2 ILE 34 9.812 5.309 -7.294 1.00 0.00 PRO +ATOM 463 HD3 ILE 34 9.984 3.544 -6.988 1.00 0.00 PRO +ATOM 464 C ILE 34 10.855 5.748 -2.274 1.00 0.00 PRO +ATOM 465 O ILE 34 11.863 6.174 -1.714 1.00 0.00 PRO +ATOM 466 N ASP 35 10.302 4.551 -1.978 1.00 0.00 PRO +ATOM 467 HN ASP 35 9.443 4.280 -2.410 1.00 0.00 PRO +ATOM 468 CA ASP 35 10.823 3.595 -1.034 1.00 0.00 PRO +ATOM 469 HA ASP 35 10.842 4.092 -0.073 1.00 0.00 PRO +ATOM 470 CB ASP 35 9.825 2.409 -0.928 1.00 0.00 PRO +ATOM 471 HB1 ASP 35 9.670 1.948 -1.919 1.00 0.00 PRO +ATOM 472 HB2 ASP 35 8.843 2.794 -0.585 1.00 0.00 PRO +ATOM 473 CG ASP 35 10.276 1.336 0.043 1.00 0.00 PRO +ATOM 474 OD1 ASP 35 10.851 0.309 -0.400 1.00 0.00 PRO +ATOM 475 OD2 ASP 35 10.092 1.561 1.260 1.00 0.00 PRO +ATOM 476 C ASP 35 12.264 3.160 -1.299 1.00 0.00 PRO +ATOM 477 O ASP 35 12.757 3.109 -2.435 1.00 0.00 PRO +ATOM 478 N ALA 36 12.987 2.839 -0.216 1.00 0.00 PRO +ATOM 479 HN ALA 36 12.531 2.844 0.681 1.00 0.00 PRO +ATOM 480 CA ALA 36 14.380 2.481 -0.220 1.00 0.00 PRO +ATOM 481 HA ALA 36 14.920 3.321 -0.635 1.00 0.00 PRO +ATOM 482 CB ALA 36 14.848 2.261 1.227 1.00 0.00 PRO +ATOM 483 HB1 ALA 36 14.298 1.416 1.694 1.00 0.00 PRO +ATOM 484 HB2 ALA 36 14.646 3.176 1.826 1.00 0.00 PRO +ATOM 485 HB3 ALA 36 15.938 2.050 1.263 1.00 0.00 PRO +ATOM 486 C ALA 36 14.722 1.272 -1.087 1.00 0.00 PRO +ATOM 487 O ALA 36 15.790 1.216 -1.689 1.00 0.00 PRO +ATOM 488 N ASN 37 13.823 0.260 -1.190 1.00 0.00 PRO +ATOM 489 HN ASN 37 12.922 0.329 -0.736 1.00 0.00 PRO +ATOM 490 CA ASN 37 14.061 -0.928 -2.001 1.00 0.00 PRO +ATOM 491 HA ASN 37 14.986 -1.358 -1.651 1.00 0.00 PRO +ATOM 492 CB ASN 37 12.920 -1.977 -1.885 1.00 0.00 PRO +ATOM 493 HB1 ASN 37 12.922 -2.656 -2.765 1.00 0.00 PRO +ATOM 494 HB2 ASN 37 11.932 -1.474 -1.840 1.00 0.00 PRO +ATOM 495 CG ASN 37 13.118 -2.860 -0.649 1.00 0.00 PRO +ATOM 496 OD1 ASN 37 13.994 -2.646 0.181 1.00 0.00 PRO +ATOM 497 ND2 ASN 37 12.344 -3.976 -0.619 1.00 0.00 PRO +ATOM 498 HD21 ASN 37 12.461 -4.641 0.120 1.00 0.00 PRO +ATOM 499 HD22 ASN 37 11.700 -4.163 -1.351 1.00 0.00 PRO +ATOM 500 C ASN 37 14.318 -0.657 -3.481 1.00 0.00 PRO +ATOM 501 O ASN 37 15.165 -1.310 -4.090 1.00 0.00 PRO +ATOM 502 N TRP 38 13.605 0.328 -4.066 1.00 0.00 PRO +ATOM 503 HN TRP 38 12.969 0.865 -3.514 1.00 0.00 PRO +ATOM 504 CA TRP 38 13.715 0.705 -5.465 1.00 0.00 PRO +ATOM 505 HA TRP 38 13.680 -0.191 -6.070 1.00 0.00 PRO +ATOM 506 CB TRP 38 12.537 1.643 -5.860 1.00 0.00 PRO +ATOM 507 HB1 TRP 38 12.813 2.254 -6.746 1.00 0.00 PRO +ATOM 508 HB2 TRP 38 12.347 2.364 -5.034 1.00 0.00 PRO +ATOM 509 CG TRP 38 11.261 0.931 -6.197 1.00 0.00 PRO +ATOM 510 CD1 TRP 38 10.804 0.723 -7.471 1.00 0.00 PRO +ATOM 511 HD1 TRP 38 11.308 1.061 -8.366 1.00 0.00 PRO +ATOM 512 NE1 TRP 38 9.613 0.039 -7.439 1.00 0.00 PRO +ATOM 513 HE1 TRP 38 9.032 -0.173 -8.204 1.00 0.00 PRO +ATOM 514 CE2 TRP 38 9.276 -0.213 -6.144 1.00 0.00 PRO +ATOM 515 CD2 TRP 38 10.291 0.332 -5.319 1.00 0.00 PRO +ATOM 516 CE3 TRP 38 10.186 0.211 -3.935 1.00 0.00 PRO +ATOM 517 HE3 TRP 38 10.921 0.626 -3.262 1.00 0.00 PRO +ATOM 518 CZ3 TRP 38 9.080 -0.455 -3.406 1.00 0.00 PRO +ATOM 519 HZ3 TRP 38 8.987 -0.551 -2.330 1.00 0.00 PRO +ATOM 520 CZ2 TRP 38 8.178 -0.872 -5.618 1.00 0.00 PRO +ATOM 521 HZ2 TRP 38 7.411 -1.286 -6.256 1.00 0.00 PRO +ATOM 522 CH2 TRP 38 8.092 -0.987 -4.229 1.00 0.00 PRO +ATOM 523 HH2 TRP 38 7.246 -1.495 -3.780 1.00 0.00 PRO +ATOM 524 C TRP 38 15.028 1.399 -5.801 1.00 0.00 PRO +ATOM 525 O TRP 38 15.466 1.443 -6.953 1.00 0.00 PRO +ATOM 526 N ARG 39 15.687 1.977 -4.786 1.00 0.00 PRO +ATOM 527 HN ARG 39 15.331 1.893 -3.856 1.00 0.00 PRO +ATOM 528 CA ARG 39 16.927 2.698 -4.929 1.00 0.00 PRO +ATOM 529 HA ARG 39 16.794 3.369 -5.768 1.00 0.00 PRO +ATOM 530 CB ARG 39 17.234 3.571 -3.690 1.00 0.00 PRO +ATOM 531 HB1 ARG 39 18.174 4.147 -3.859 1.00 0.00 PRO +ATOM 532 HB2 ARG 39 17.395 2.913 -2.807 1.00 0.00 PRO +ATOM 533 CG ARG 39 16.115 4.584 -3.390 1.00 0.00 PRO +ATOM 534 HG1 ARG 39 15.155 4.043 -3.224 1.00 0.00 PRO +ATOM 535 HG2 ARG 39 15.982 5.237 -4.281 1.00 0.00 PRO +ATOM 536 CD ARG 39 16.403 5.441 -2.159 1.00 0.00 PRO +ATOM 537 HD1 ARG 39 17.369 5.977 -2.241 1.00 0.00 PRO +ATOM 538 HD2 ARG 39 16.436 4.804 -1.244 1.00 0.00 PRO +ATOM 539 NE ARG 39 15.253 6.408 -2.025 1.00 0.00 PRO +ATOM 540 HE ARG 39 14.476 6.144 -1.469 1.00 0.00 PRO +ATOM 541 CZ ARG 39 15.206 7.583 -2.637 1.00 0.00 PRO +ATOM 542 NH1 ARG 39 16.123 8.069 -3.390 1.00 0.00 PRO +ATOM 543 HH11 ARG 39 16.959 7.530 -3.579 1.00 0.00 PRO +ATOM 544 HH12 ARG 39 15.998 8.996 -3.800 1.00 0.00 PRO +ATOM 545 NH2 ARG 39 14.100 8.338 -2.434 1.00 0.00 PRO +ATOM 546 HH21 ARG 39 14.118 9.288 -2.759 1.00 0.00 PRO +ATOM 547 HH22 ARG 39 13.364 7.970 -1.903 1.00 0.00 PRO +ATOM 548 C ARG 39 18.145 1.855 -5.259 1.00 0.00 PRO +ATOM 549 O ARG 39 18.267 0.668 -4.938 1.00 0.00 PRO +ATOM 550 N TRP 40 19.126 2.496 -5.917 1.00 0.00 PRO +ATOM 551 HN TRP 40 18.979 3.437 -6.210 1.00 0.00 PRO +ATOM 552 CA TRP 40 20.492 2.028 -5.964 1.00 0.00 PRO +ATOM 553 HA TRP 40 20.484 1.016 -6.348 1.00 0.00 PRO +ATOM 554 CB TRP 40 21.325 2.947 -6.902 1.00 0.00 PRO +ATOM 555 HB1 TRP 40 21.331 3.965 -6.443 1.00 0.00 PRO +ATOM 556 HB2 TRP 40 20.786 3.043 -7.867 1.00 0.00 PRO +ATOM 557 CG TRP 40 22.736 2.556 -7.202 1.00 0.00 PRO +ATOM 558 CD1 TRP 40 23.286 1.293 -7.273 1.00 0.00 PRO +ATOM 559 HD1 TRP 40 22.754 0.374 -7.061 1.00 0.00 PRO +ATOM 560 NE1 TRP 40 24.602 1.386 -7.656 1.00 0.00 PRO +ATOM 561 HE1 TRP 40 25.246 0.644 -7.769 1.00 0.00 PRO +ATOM 562 CE2 TRP 40 24.934 2.696 -7.841 1.00 0.00 PRO +ATOM 563 CD2 TRP 40 23.786 3.470 -7.574 1.00 0.00 PRO +ATOM 564 CE3 TRP 40 23.846 4.861 -7.696 1.00 0.00 PRO +ATOM 565 HE3 TRP 40 23.000 5.485 -7.462 1.00 0.00 PRO +ATOM 566 CZ3 TRP 40 25.056 5.443 -8.087 1.00 0.00 PRO +ATOM 567 HZ3 TRP 40 25.127 6.520 -8.138 1.00 0.00 PRO +ATOM 568 CZ2 TRP 40 26.131 3.272 -8.234 1.00 0.00 PRO +ATOM 569 HZ2 TRP 40 26.999 2.666 -8.430 1.00 0.00 PRO +ATOM 570 CH2 TRP 40 26.177 4.664 -8.356 1.00 0.00 PRO +ATOM 571 HH2 TRP 40 27.100 5.151 -8.646 1.00 0.00 PRO +ATOM 572 C TRP 40 21.107 1.994 -4.566 1.00 0.00 PRO +ATOM 573 O TRP 40 20.947 2.925 -3.772 1.00 0.00 PRO +ATOM 574 N THR 41 21.808 0.898 -4.240 1.00 0.00 PRO +ATOM 575 HN THR 41 21.870 0.123 -4.866 1.00 0.00 PRO +ATOM 576 CA THR 41 22.477 0.717 -2.967 1.00 0.00 PRO +ATOM 577 HA THR 41 22.471 1.639 -2.410 1.00 0.00 PRO +ATOM 578 CB THR 41 21.887 -0.408 -2.124 1.00 0.00 PRO +ATOM 579 HB THR 41 22.063 -1.397 -2.606 1.00 0.00 PRO +ATOM 580 OG1 THR 41 20.479 -0.258 -1.994 1.00 0.00 PRO +ATOM 581 HG1 THR 41 20.159 -0.051 -2.881 1.00 0.00 PRO +ATOM 582 CG2 THR 41 22.483 -0.392 -0.710 1.00 0.00 PRO +ATOM 583 HG21 THR 41 22.221 0.558 -0.195 1.00 0.00 PRO +ATOM 584 HG22 THR 41 23.586 -0.482 -0.731 1.00 0.00 PRO +ATOM 585 HG23 THR 41 22.070 -1.236 -0.118 1.00 0.00 PRO +ATOM 586 C THR 41 23.905 0.344 -3.296 1.00 0.00 PRO +ATOM 587 O THR 41 24.180 -0.604 -4.008 1.00 0.00 PRO +ATOM 588 N HSD 42 24.869 1.115 -2.762 1.00 0.00 PRO +ATOM 589 HN HSD 42 24.663 1.859 -2.130 1.00 0.00 PRO +ATOM 590 CA HSD 42 26.256 0.948 -3.130 1.00 0.00 PRO +ATOM 591 HA HSD 42 26.472 -0.094 -3.299 1.00 0.00 PRO +ATOM 592 CB HSD 42 26.631 1.765 -4.395 1.00 0.00 PRO +ATOM 593 HB1 HSD 42 25.980 1.423 -5.230 1.00 0.00 PRO +ATOM 594 HB2 HSD 42 27.680 1.581 -4.704 1.00 0.00 PRO +ATOM 595 ND1 HSD 42 27.392 4.137 -3.843 1.00 0.00 PRO +ATOM 596 HD1 HSD 42 28.315 3.910 -3.484 1.00 0.00 PRO +ATOM 597 CG HSD 42 26.419 3.230 -4.234 1.00 0.00 PRO +ATOM 598 CE1 HSD 42 26.842 5.354 -3.878 1.00 0.00 PRO +ATOM 599 HE1 HSD 42 27.356 6.278 -3.598 1.00 0.00 PRO +ATOM 600 NE2 HSD 42 25.586 5.313 -4.282 1.00 0.00 PRO +ATOM 601 CD2 HSD 42 25.329 3.988 -4.510 1.00 0.00 PRO +ATOM 602 HD2 HSD 42 24.337 3.680 -4.848 1.00 0.00 PRO +ATOM 603 C HSD 42 27.091 1.361 -1.951 1.00 0.00 PRO +ATOM 604 O HSD 42 26.580 1.884 -0.957 1.00 0.00 PRO +ATOM 605 N ALA 43 28.396 1.058 -2.003 1.00 0.00 PRO +ATOM 606 HN ALA 43 28.745 0.549 -2.794 1.00 0.00 PRO +ATOM 607 CA ALA 43 29.358 1.427 -0.993 1.00 0.00 PRO +ATOM 608 HA ALA 43 28.997 1.006 -0.065 1.00 0.00 PRO +ATOM 609 CB ALA 43 30.738 0.820 -1.306 1.00 0.00 PRO +ATOM 610 HB1 ALA 43 31.134 1.247 -2.251 1.00 0.00 PRO +ATOM 611 HB2 ALA 43 30.647 -0.280 -1.421 1.00 0.00 PRO +ATOM 612 HB3 ALA 43 31.457 1.028 -0.484 1.00 0.00 PRO +ATOM 613 C ALA 43 29.500 2.926 -0.771 1.00 0.00 PRO +ATOM 614 O ALA 43 29.305 3.748 -1.675 1.00 0.00 PRO +ATOM 615 N THR 44 29.874 3.353 0.435 1.00 0.00 PRO +ATOM 616 HN THR 44 30.039 2.708 1.194 1.00 0.00 PRO +ATOM 617 CA THR 44 29.978 4.768 0.785 1.00 0.00 PRO +ATOM 618 HA THR 44 29.081 5.262 0.445 1.00 0.00 PRO +ATOM 619 CB THR 44 30.096 4.975 2.288 1.00 0.00 PRO +ATOM 620 HB THR 44 30.374 6.024 2.543 1.00 0.00 PRO +ATOM 621 OG1 THR 44 31.047 4.071 2.846 1.00 0.00 PRO +ATOM 622 HG1 THR 44 30.994 4.151 3.798 1.00 0.00 PRO +ATOM 623 CG2 THR 44 28.731 4.664 2.919 1.00 0.00 PRO +ATOM 624 HG21 THR 44 28.401 3.632 2.676 1.00 0.00 PRO +ATOM 625 HG22 THR 44 27.968 5.368 2.524 1.00 0.00 PRO +ATOM 626 HG23 THR 44 28.766 4.764 4.023 1.00 0.00 PRO +ATOM 627 C THR 44 31.139 5.475 0.112 1.00 0.00 PRO +ATOM 628 O THR 44 31.146 6.706 -0.024 1.00 0.00 PRO +ATOM 629 N ASN 45 32.148 4.723 -0.346 1.00 0.00 PRO +ATOM 630 HN ASN 45 32.091 3.731 -0.227 1.00 0.00 PRO +ATOM 631 CA ASN 45 33.381 5.245 -0.902 1.00 0.00 PRO +ATOM 632 HA ASN 45 33.411 6.320 -0.782 1.00 0.00 PRO +ATOM 633 CB ASN 45 34.573 4.632 -0.111 1.00 0.00 PRO +ATOM 634 HB1 ASN 45 34.476 4.976 0.943 1.00 0.00 PRO +ATOM 635 HB2 ASN 45 35.534 5.011 -0.513 1.00 0.00 PRO +ATOM 636 CG ASN 45 34.596 3.097 -0.120 1.00 0.00 PRO +ATOM 637 OD1 ASN 45 33.925 2.406 -0.888 1.00 0.00 PRO +ATOM 638 ND2 ASN 45 35.387 2.542 0.824 1.00 0.00 PRO +ATOM 639 HD21 ASN 45 35.301 1.541 0.934 1.00 0.00 PRO +ATOM 640 HD22 ASN 45 35.727 3.096 1.568 1.00 0.00 PRO +ATOM 641 C ASN 45 33.519 4.977 -2.397 1.00 0.00 PRO +ATOM 642 O ASN 45 34.496 5.368 -3.039 1.00 0.00 PRO +ATOM 643 N SER 46 32.542 4.317 -3.029 1.00 0.00 PRO +ATOM 644 HN SER 46 31.686 4.075 -2.566 1.00 0.00 PRO +ATOM 645 CA SER 46 32.700 3.874 -4.400 1.00 0.00 PRO +ATOM 646 HA SER 46 33.098 4.692 -4.981 1.00 0.00 PRO +ATOM 647 CB SER 46 33.636 2.639 -4.578 1.00 0.00 PRO +ATOM 648 HB1 SER 46 34.661 2.918 -4.241 1.00 0.00 PRO +ATOM 649 HB2 SER 46 33.721 2.346 -5.647 1.00 0.00 PRO +ATOM 650 OG SER 46 33.189 1.516 -3.816 1.00 0.00 PRO +ATOM 651 HG1 SER 46 33.416 1.728 -2.889 1.00 0.00 PRO +ATOM 652 C SER 46 31.337 3.584 -4.967 1.00 0.00 PRO +ATOM 653 O SER 46 30.332 3.613 -4.279 1.00 0.00 PRO +ATOM 654 N SER 47 31.261 3.299 -6.273 1.00 0.00 PRO +ATOM 655 HN SER 47 32.055 3.252 -6.871 1.00 0.00 PRO +ATOM 656 CA SER 47 30.012 3.028 -6.961 1.00 0.00 PRO +ATOM 657 HA SER 47 29.176 3.477 -6.438 1.00 0.00 PRO +ATOM 658 CB SER 47 30.095 3.605 -8.394 1.00 0.00 PRO +ATOM 659 HB1 SER 47 30.177 4.710 -8.296 1.00 0.00 PRO +ATOM 660 HB2 SER 47 29.177 3.394 -8.985 1.00 0.00 PRO +ATOM 661 OG SER 47 31.263 3.124 -9.071 1.00 0.00 PRO +ATOM 662 HG1 SER 47 31.025 2.252 -9.421 1.00 0.00 PRO +ATOM 663 C SER 47 29.760 1.538 -7.032 1.00 0.00 PRO +ATOM 664 O SER 47 28.979 1.065 -7.850 1.00 0.00 PRO +ATOM 665 N THR 48 30.446 0.764 -6.166 1.00 0.00 PRO +ATOM 666 HN THR 48 30.992 1.210 -5.464 1.00 0.00 PRO +ATOM 667 CA THR 48 30.345 -0.688 -6.099 1.00 0.00 PRO +ATOM 668 HA THR 48 30.325 -1.084 -7.105 1.00 0.00 PRO +ATOM 669 CB THR 48 31.482 -1.350 -5.321 1.00 0.00 PRO +ATOM 670 HB THR 48 31.420 -1.094 -4.237 1.00 0.00 PRO +ATOM 671 OG1 THR 48 32.747 -0.901 -5.789 1.00 0.00 PRO +ATOM 672 HG1 THR 48 32.794 0.042 -5.596 1.00 0.00 PRO +ATOM 673 CG2 THR 48 31.451 -2.878 -5.487 1.00 0.00 PRO +ATOM 674 HG21 THR 48 31.485 -3.153 -6.563 1.00 0.00 PRO +ATOM 675 HG22 THR 48 30.538 -3.316 -5.032 1.00 0.00 PRO +ATOM 676 HG23 THR 48 32.335 -3.334 -4.990 1.00 0.00 PRO +ATOM 677 C THR 48 29.059 -1.051 -5.412 1.00 0.00 PRO +ATOM 678 O THR 48 28.842 -0.658 -4.259 1.00 0.00 PRO +ATOM 679 N ASN 49 28.160 -1.785 -6.087 1.00 0.00 PRO +ATOM 680 HN ASN 49 28.337 -2.033 -7.043 1.00 0.00 PRO +ATOM 681 CA ASN 49 26.885 -2.193 -5.526 1.00 0.00 PRO +ATOM 682 HA ASN 49 26.365 -1.290 -5.237 1.00 0.00 PRO +ATOM 683 CB ASN 49 25.989 -2.973 -6.532 1.00 0.00 PRO +ATOM 684 HB1 ASN 49 25.115 -3.398 -5.997 1.00 0.00 PRO +ATOM 685 HB2 ASN 49 26.563 -3.816 -6.971 1.00 0.00 PRO +ATOM 686 CG ASN 49 25.474 -2.092 -7.671 1.00 0.00 PRO +ATOM 687 OD1 ASN 49 26.115 -1.155 -8.151 1.00 0.00 PRO +ATOM 688 ND2 ASN 49 24.216 -2.359 -8.106 1.00 0.00 PRO +ATOM 689 HD21 ASN 49 23.709 -3.128 -7.709 1.00 0.00 PRO +ATOM 690 HD22 ASN 49 23.843 -1.830 -8.856 1.00 0.00 PRO +ATOM 691 C ASN 49 27.026 -3.037 -4.258 1.00 0.00 PRO +ATOM 692 O ASN 49 27.898 -3.886 -4.131 1.00 0.00 PRO +ATOM 693 N CYS 50 26.122 -2.813 -3.282 1.00 0.00 PRO +ATOM 694 HN CYS 50 25.460 -2.068 -3.371 1.00 0.00 PRO +ATOM 695 CA CYS 50 26.039 -3.677 -2.115 1.00 0.00 PRO +ATOM 696 HA CYS 50 26.960 -4.227 -1.967 1.00 0.00 PRO +ATOM 697 CB CYS 50 25.712 -2.874 -0.835 1.00 0.00 PRO +ATOM 698 HB1 CYS 50 25.514 -3.579 0.003 1.00 0.00 PRO +ATOM 699 HB2 CYS 50 24.792 -2.276 -0.995 1.00 0.00 PRO +ATOM 700 SG CYS 50 27.074 -1.778 -0.353 1.00 0.00 PRO +ATOM 701 C CYS 50 24.936 -4.694 -2.311 1.00 0.00 PRO +ATOM 702 O CYS 50 24.887 -5.717 -1.645 1.00 0.00 PRO +ATOM 703 N TYR 51 24.050 -4.428 -3.285 1.00 0.00 PRO +ATOM 704 HN TYR 51 24.133 -3.605 -3.836 1.00 0.00 PRO +ATOM 705 CA TYR 51 22.987 -5.314 -3.674 1.00 0.00 PRO +ATOM 706 HA TYR 51 23.265 -6.341 -3.477 1.00 0.00 PRO +ATOM 707 CB TYR 51 21.686 -4.933 -2.913 1.00 0.00 PRO +ATOM 708 HB1 TYR 51 21.407 -3.879 -3.126 1.00 0.00 PRO +ATOM 709 HB2 TYR 51 21.877 -5.012 -1.818 1.00 0.00 PRO +ATOM 710 CG TYR 51 20.527 -5.832 -3.252 1.00 0.00 PRO +ATOM 711 CD1 TYR 51 20.283 -6.988 -2.493 1.00 0.00 PRO +ATOM 712 HD1 TYR 51 20.962 -7.261 -1.700 1.00 0.00 PRO +ATOM 713 CE1 TYR 51 19.158 -7.784 -2.747 1.00 0.00 PRO +ATOM 714 HE1 TYR 51 18.975 -8.663 -2.147 1.00 0.00 PRO +ATOM 715 CZ TYR 51 18.257 -7.420 -3.754 1.00 0.00 PRO +ATOM 716 OH TYR 51 17.071 -8.156 -3.938 1.00 0.00 PRO +ATOM 717 HH TYR 51 16.539 -7.735 -4.629 1.00 0.00 PRO +ATOM 718 CD2 TYR 51 19.634 -5.496 -4.284 1.00 0.00 PRO +ATOM 719 HD2 TYR 51 19.830 -4.626 -4.891 1.00 0.00 PRO +ATOM 720 CE2 TYR 51 18.502 -6.285 -4.534 1.00 0.00 PRO +ATOM 721 HE2 TYR 51 17.814 -6.025 -5.324 1.00 0.00 PRO +ATOM 722 C TYR 51 22.855 -5.146 -5.174 1.00 0.00 PRO +ATOM 723 O TYR 51 22.741 -4.019 -5.667 1.00 0.00 PRO +ATOM 724 N ASP 52 22.889 -6.242 -5.941 1.00 0.00 PRO +ATOM 725 HN ASP 52 22.972 -7.160 -5.537 1.00 0.00 PRO +ATOM 726 CA ASP 52 22.736 -6.195 -7.378 1.00 0.00 PRO +ATOM 727 HA ASP 52 22.085 -5.364 -7.623 1.00 0.00 PRO +ATOM 728 CB ASP 52 24.102 -6.053 -8.116 1.00 0.00 PRO +ATOM 729 HB1 ASP 52 24.623 -7.032 -8.183 1.00 0.00 PRO +ATOM 730 HB2 ASP 52 24.757 -5.377 -7.528 1.00 0.00 PRO +ATOM 731 CG ASP 52 23.994 -5.455 -9.513 1.00 0.00 PRO +ATOM 732 OD1 ASP 52 22.825 -5.132 -9.951 1.00 0.00 PRO +ATOM 733 OD2 ASP 52 25.002 -5.262 -10.185 1.00 0.00 PRO +ATOM 734 C ASP 52 22.002 -7.472 -7.753 1.00 0.00 PRO +ATOM 735 O ASP 52 22.255 -8.549 -7.216 1.00 0.00 PRO +ATOM 736 N GLY 53 21.021 -7.391 -8.669 1.00 0.00 PRO +ATOM 737 HN GLY 53 20.925 -6.542 -9.186 1.00 0.00 PRO +ATOM 738 CA GLY 53 20.067 -8.481 -8.882 1.00 0.00 PRO +ATOM 739 HA1 GLY 53 20.621 -9.379 -9.110 1.00 0.00 PRO +ATOM 740 HA2 GLY 53 19.409 -8.192 -9.685 1.00 0.00 PRO +ATOM 741 C GLY 53 19.205 -8.769 -7.678 1.00 0.00 PRO +ATOM 742 O GLY 53 18.524 -7.871 -7.175 1.00 0.00 PRO +ATOM 743 N ASN 54 19.197 -10.027 -7.200 1.00 0.00 PRO +ATOM 744 HN ASN 54 19.711 -10.766 -7.641 1.00 0.00 PRO +ATOM 745 CA ASN 54 18.452 -10.459 -6.031 1.00 0.00 PRO +ATOM 746 HA ASN 54 17.937 -9.612 -5.617 1.00 0.00 PRO +ATOM 747 CB ASN 54 17.359 -11.511 -6.377 1.00 0.00 PRO +ATOM 748 HB1 ASN 54 16.571 -10.991 -6.959 1.00 0.00 PRO +ATOM 749 HB2 ASN 54 16.897 -11.899 -5.446 1.00 0.00 PRO +ATOM 750 CG ASN 54 17.833 -12.696 -7.205 1.00 0.00 PRO +ATOM 751 OD1 ASN 54 19.029 -12.871 -7.508 1.00 0.00 PRO +ATOM 752 ND2 ASN 54 16.879 -13.539 -7.636 1.00 0.00 PRO +ATOM 753 HD21 ASN 54 15.909 -13.376 -7.416 1.00 0.00 PRO +ATOM 754 HD22 ASN 54 17.155 -14.403 -8.046 1.00 0.00 PRO +ATOM 755 C ASN 54 19.378 -10.922 -4.914 1.00 0.00 PRO +ATOM 756 O ASN 54 18.976 -11.638 -3.995 1.00 0.00 PRO +ATOM 757 N THR 55 20.652 -10.497 -4.950 1.00 0.00 PRO +ATOM 758 HN THR 55 20.962 -9.872 -5.665 1.00 0.00 PRO +ATOM 759 CA THR 55 21.671 -10.954 -4.019 1.00 0.00 PRO +ATOM 760 HA THR 55 21.193 -11.394 -3.156 1.00 0.00 PRO +ATOM 761 CB THR 55 22.636 -11.989 -4.600 1.00 0.00 PRO +ATOM 762 HB THR 55 23.562 -12.104 -3.985 1.00 0.00 PRO +ATOM 763 OG1 THR 55 22.994 -11.676 -5.944 1.00 0.00 PRO +ATOM 764 HG1 THR 55 23.384 -10.792 -5.943 1.00 0.00 PRO +ATOM 765 CG2 THR 55 21.921 -13.352 -4.598 1.00 0.00 PRO +ATOM 766 HG21 THR 55 21.039 -13.335 -5.275 1.00 0.00 PRO +ATOM 767 HG22 THR 55 21.569 -13.607 -3.578 1.00 0.00 PRO +ATOM 768 HG23 THR 55 22.597 -14.158 -4.947 1.00 0.00 PRO +ATOM 769 C THR 55 22.474 -9.796 -3.484 1.00 0.00 PRO +ATOM 770 O THR 55 22.666 -8.767 -4.125 1.00 0.00 PRO +ATOM 771 N TRP 56 22.979 -9.955 -2.247 1.00 0.00 PRO +ATOM 772 HN TRP 56 22.816 -10.791 -1.740 1.00 0.00 PRO +ATOM 773 CA TRP 56 23.854 -8.990 -1.618 1.00 0.00 PRO +ATOM 774 HA TRP 56 23.617 -8.001 -1.987 1.00 0.00 PRO +ATOM 775 CB TRP 56 23.715 -8.999 -0.074 1.00 0.00 PRO +ATOM 776 HB1 TRP 56 24.473 -8.318 0.375 1.00 0.00 PRO +ATOM 777 HB2 TRP 56 23.929 -10.018 0.309 1.00 0.00 PRO +ATOM 778 CG TRP 56 22.373 -8.572 0.435 1.00 0.00 PRO +ATOM 779 CD1 TRP 56 21.276 -9.357 0.667 1.00 0.00 PRO +ATOM 780 HD1 TRP 56 21.218 -10.421 0.469 1.00 0.00 PRO +ATOM 781 NE1 TRP 56 20.262 -8.588 1.200 1.00 0.00 PRO +ATOM 782 HE1 TRP 56 19.357 -8.879 1.420 1.00 0.00 PRO +ATOM 783 CE2 TRP 56 20.696 -7.300 1.325 1.00 0.00 PRO +ATOM 784 CD2 TRP 56 22.023 -7.241 0.844 1.00 0.00 PRO +ATOM 785 CE3 TRP 56 22.706 -6.025 0.859 1.00 0.00 PRO +ATOM 786 HE3 TRP 56 23.727 -5.954 0.516 1.00 0.00 PRO +ATOM 787 CZ3 TRP 56 22.052 -4.892 1.343 1.00 0.00 PRO +ATOM 788 HZ3 TRP 56 22.567 -3.940 1.366 1.00 0.00 PRO +ATOM 789 CZ2 TRP 56 20.058 -6.185 1.838 1.00 0.00 PRO +ATOM 790 HZ2 TRP 56 19.056 -6.246 2.225 1.00 0.00 PRO +ATOM 791 CH2 TRP 56 20.757 -4.973 1.839 1.00 0.00 PRO +ATOM 792 HH2 TRP 56 20.292 -4.082 2.243 1.00 0.00 PRO +ATOM 793 C TRP 56 25.304 -9.269 -1.960 1.00 0.00 PRO +ATOM 794 O TRP 56 25.700 -10.392 -2.247 1.00 0.00 PRO +ATOM 795 N SER 57 26.142 -8.220 -1.890 1.00 0.00 PRO +ATOM 796 HN SER 57 25.766 -7.310 -1.698 1.00 0.00 PRO +ATOM 797 CA SER 57 27.587 -8.355 -1.918 1.00 0.00 PRO +ATOM 798 HA SER 57 27.847 -9.012 -2.734 1.00 0.00 PRO +ATOM 799 CB SER 57 28.286 -6.989 -2.129 1.00 0.00 PRO +ATOM 800 HB1 SER 57 27.982 -6.301 -1.308 1.00 0.00 PRO +ATOM 801 HB2 SER 57 27.929 -6.545 -3.087 1.00 0.00 PRO +ATOM 802 OG SER 57 29.711 -7.106 -2.147 1.00 0.00 PRO +ATOM 803 HG1 SER 57 29.930 -7.605 -2.947 1.00 0.00 PRO +ATOM 804 C SER 57 28.109 -8.989 -0.643 1.00 0.00 PRO +ATOM 805 O SER 57 27.829 -8.518 0.459 1.00 0.00 PRO +ATOM 806 N SER 58 28.895 -10.071 -0.731 1.00 0.00 PRO +ATOM 807 HN SER 58 29.198 -10.452 -1.603 1.00 0.00 PRO +ATOM 808 CA SER 58 29.320 -10.804 0.452 1.00 0.00 PRO +ATOM 809 HA SER 58 28.498 -10.843 1.155 1.00 0.00 PRO +ATOM 810 CB SER 58 29.689 -12.267 0.105 1.00 0.00 PRO +ATOM 811 HB1 SER 58 28.766 -12.771 -0.265 1.00 0.00 PRO +ATOM 812 HB2 SER 58 30.025 -12.807 1.018 1.00 0.00 PRO +ATOM 813 OG SER 58 30.687 -12.357 -0.917 1.00 0.00 PRO +ATOM 814 HG1 SER 58 30.930 -13.291 -0.932 1.00 0.00 PRO +ATOM 815 C SER 58 30.478 -10.146 1.179 1.00 0.00 PRO +ATOM 816 O SER 58 30.701 -10.359 2.368 1.00 0.00 PRO +ATOM 817 N THR 59 31.241 -9.283 0.483 1.00 0.00 PRO +ATOM 818 HN THR 59 31.069 -9.123 -0.487 1.00 0.00 PRO +ATOM 819 CA THR 59 32.400 -8.610 1.048 1.00 0.00 PRO +ATOM 820 HA THR 59 32.806 -9.201 1.857 1.00 0.00 PRO +ATOM 821 CB THR 59 33.497 -8.392 0.007 1.00 0.00 PRO +ATOM 822 HB THR 59 34.313 -7.751 0.413 1.00 0.00 PRO +ATOM 823 OG1 THR 59 32.952 -7.824 -1.181 1.00 0.00 PRO +ATOM 824 HG1 THR 59 33.663 -7.407 -1.684 1.00 0.00 PRO +ATOM 825 CG2 THR 59 34.106 -9.753 -0.367 1.00 0.00 PRO +ATOM 826 HG21 THR 59 33.335 -10.417 -0.815 1.00 0.00 PRO +ATOM 827 HG22 THR 59 34.514 -10.251 0.537 1.00 0.00 PRO +ATOM 828 HG23 THR 59 34.926 -9.625 -1.104 1.00 0.00 PRO +ATOM 829 C THR 59 32.049 -7.253 1.629 1.00 0.00 PRO +ATOM 830 O THR 59 32.709 -6.764 2.541 1.00 0.00 PRO +ATOM 831 N LEU 60 30.984 -6.597 1.117 1.00 0.00 PRO +ATOM 832 HN LEU 60 30.526 -6.950 0.302 1.00 0.00 PRO +ATOM 833 CA LEU 60 30.498 -5.347 1.679 1.00 0.00 PRO +ATOM 834 HA LEU 60 31.298 -4.835 2.193 1.00 0.00 PRO +ATOM 835 CB LEU 60 29.924 -4.416 0.580 1.00 0.00 PRO +ATOM 836 HB1 LEU 60 29.422 -3.533 1.039 1.00 0.00 PRO +ATOM 837 HB2 LEU 60 29.152 -4.976 0.010 1.00 0.00 PRO +ATOM 838 CG LEU 60 30.979 -3.884 -0.411 1.00 0.00 PRO +ATOM 839 HG LEU 60 31.587 -4.747 -0.772 1.00 0.00 PRO +ATOM 840 CD1 LEU 60 30.297 -3.258 -1.637 1.00 0.00 PRO +ATOM 841 HD11 LEU 60 29.683 -2.384 -1.337 1.00 0.00 PRO +ATOM 842 HD12 LEU 60 29.627 -3.998 -2.127 1.00 0.00 PRO +ATOM 843 HD13 LEU 60 31.047 -2.922 -2.381 1.00 0.00 PRO +ATOM 844 CD2 LEU 60 31.908 -2.863 0.265 1.00 0.00 PRO +ATOM 845 HD21 LEU 60 32.439 -3.311 1.129 1.00 0.00 PRO +ATOM 846 HD22 LEU 60 31.318 -1.993 0.628 1.00 0.00 PRO +ATOM 847 HD23 LEU 60 32.668 -2.496 -0.454 1.00 0.00 PRO +ATOM 848 C LEU 60 29.418 -5.584 2.712 1.00 0.00 PRO +ATOM 849 O LEU 60 29.219 -4.761 3.602 1.00 0.00 PRO +ATOM 850 N CYS 61 28.744 -6.747 2.644 1.00 0.00 PRO +ATOM 851 HN CYS 61 28.930 -7.407 1.917 1.00 0.00 PRO +ATOM 852 CA CYS 61 27.648 -7.104 3.526 1.00 0.00 PRO +ATOM 853 HA CYS 61 27.668 -6.472 4.405 1.00 0.00 PRO +ATOM 854 CB CYS 61 26.276 -6.904 2.826 1.00 0.00 PRO +ATOM 855 HB1 CYS 61 25.458 -7.241 3.497 1.00 0.00 PRO +ATOM 856 HB2 CYS 61 26.213 -7.527 1.912 1.00 0.00 PRO +ATOM 857 SG CYS 61 26.030 -5.159 2.381 1.00 0.00 PRO +ATOM 858 C CYS 61 27.802 -8.530 4.022 1.00 0.00 PRO +ATOM 859 O CYS 61 27.033 -9.423 3.607 1.00 0.00 PRO +ATOM 860 N PRO 62 28.750 -8.852 4.894 1.00 0.00 PRO +ATOM 861 CD PRO 62 29.853 -7.967 5.311 1.00 0.00 PRO +ATOM 862 HD1 PRO 62 29.474 -6.979 5.650 1.00 0.00 PRO +ATOM 863 HD2 PRO 62 30.549 -7.837 4.452 1.00 0.00 PRO +ATOM 864 CA PRO 62 28.839 -10.161 5.521 1.00 0.00 PRO +ATOM 865 HA PRO 62 28.682 -10.929 4.774 1.00 0.00 PRO +ATOM 866 CB PRO 62 30.262 -10.185 6.097 1.00 0.00 PRO +ATOM 867 HB1 PRO 62 30.959 -10.516 5.293 1.00 0.00 PRO +ATOM 868 HB2 PRO 62 30.379 -10.858 6.966 1.00 0.00 PRO +ATOM 869 CG PRO 62 30.562 -8.721 6.436 1.00 0.00 PRO +ATOM 870 HG1 PRO 62 30.113 -8.459 7.420 1.00 0.00 PRO +ATOM 871 HG2 PRO 62 31.651 -8.511 6.467 1.00 0.00 PRO +ATOM 872 C PRO 62 27.775 -10.347 6.598 1.00 0.00 PRO +ATOM 873 O PRO 62 27.364 -11.471 6.856 1.00 0.00 PRO +ATOM 874 N ASP 63 27.398 -9.262 7.299 1.00 0.00 PRO +ATOM 875 HN ASP 63 27.812 -8.381 7.108 1.00 0.00 PRO +ATOM 876 CA ASP 63 26.420 -9.254 8.360 1.00 0.00 PRO +ATOM 877 HA ASP 63 25.702 -10.046 8.176 1.00 0.00 PRO +ATOM 878 CB ASP 63 27.076 -9.441 9.762 1.00 0.00 PRO +ATOM 879 HB1 ASP 63 27.531 -10.451 9.805 1.00 0.00 PRO +ATOM 880 HB2 ASP 63 26.296 -9.407 10.552 1.00 0.00 PRO +ATOM 881 CG ASP 63 28.163 -8.420 10.074 1.00 0.00 PRO +ATOM 882 OD1 ASP 63 29.347 -8.759 10.051 1.00 0.00 PRO +ATOM 883 OD2 ASP 63 27.815 -7.202 10.306 1.00 0.00 PRO +ATOM 884 C ASP 63 25.630 -7.962 8.285 1.00 0.00 PRO +ATOM 885 O ASP 63 26.013 -7.008 7.582 1.00 0.00 PRO +ATOM 886 N ASN 64 24.486 -7.917 8.984 1.00 0.00 PRO +ATOM 887 HN ASN 64 24.221 -8.714 9.554 1.00 0.00 PRO +ATOM 888 CA ASN 64 23.545 -6.812 8.955 1.00 0.00 PRO +ATOM 889 HA ASN 64 23.231 -6.675 7.931 1.00 0.00 PRO +ATOM 890 CB ASN 64 22.320 -7.136 9.844 1.00 0.00 PRO +ATOM 891 HB1 ASN 64 21.621 -6.277 9.877 1.00 0.00 PRO +ATOM 892 HB2 ASN 64 22.654 -7.381 10.875 1.00 0.00 PRO +ATOM 893 CG ASN 64 21.526 -8.305 9.267 1.00 0.00 PRO +ATOM 894 OD1 ASN 64 21.632 -8.667 8.098 1.00 0.00 PRO +ATOM 895 ND2 ASN 64 20.684 -8.924 10.133 1.00 0.00 PRO +ATOM 896 HD21 ASN 64 20.173 -9.701 9.794 1.00 0.00 PRO +ATOM 897 HD22 ASN 64 20.765 -8.738 11.110 1.00 0.00 PRO +ATOM 898 C ASN 64 24.121 -5.477 9.407 1.00 0.00 PRO +ATOM 899 O ASN 64 23.894 -4.443 8.756 1.00 0.00 PRO +ATOM 900 N GLU 65 24.885 -5.445 10.515 1.00 0.00 PRO +ATOM 901 HN GLU 65 25.096 -6.287 11.016 1.00 0.00 PRO +ATOM 902 CA GLU 65 25.547 -4.238 10.973 1.00 0.00 PRO +ATOM 903 HA GLU 65 24.801 -3.458 11.028 1.00 0.00 PRO +ATOM 904 CB GLU 65 26.183 -4.393 12.378 1.00 0.00 PRO +ATOM 905 HB1 GLU 65 26.900 -3.557 12.511 1.00 0.00 PRO +ATOM 906 HB2 GLU 65 26.775 -5.332 12.450 1.00 0.00 PRO +ATOM 907 CG GLU 65 25.190 -4.293 13.559 1.00 0.00 PRO +ATOM 908 HG1 GLU 65 24.792 -5.300 13.801 1.00 0.00 PRO +ATOM 909 HG2 GLU 65 24.333 -3.641 13.294 1.00 0.00 PRO +ATOM 910 CD GLU 65 25.865 -3.704 14.800 1.00 0.00 PRO +ATOM 911 OE1 GLU 65 26.394 -2.518 14.612 1.00 0.00 PRO +ATOM 912 OE2 GLU 65 25.949 -4.295 15.852 1.00 0.00 PRO +ATOM 913 C GLU 65 26.620 -3.726 10.038 1.00 0.00 PRO +ATOM 914 O GLU 65 26.684 -2.523 9.735 1.00 0.00 PRO +ATOM 915 N THR 66 27.511 -4.599 9.557 1.00 0.00 PRO +ATOM 916 HN THR 66 27.460 -5.579 9.842 1.00 0.00 PRO +ATOM 917 CA THR 66 28.619 -4.236 8.678 1.00 0.00 PRO +ATOM 918 HA THR 66 29.154 -3.433 9.156 1.00 0.00 PRO +ATOM 919 CB THR 66 29.605 -5.375 8.470 1.00 0.00 PRO +ATOM 920 HB THR 66 29.079 -6.273 8.068 1.00 0.00 PRO +ATOM 921 OG1 THR 66 30.188 -5.712 9.723 1.00 0.00 PRO +ATOM 922 HG1 THR 66 29.577 -6.398 10.081 1.00 0.00 PRO +ATOM 923 CG2 THR 66 30.753 -4.980 7.524 1.00 0.00 PRO +ATOM 924 HG21 THR 66 31.237 -4.039 7.858 1.00 0.00 PRO +ATOM 925 HG22 THR 66 30.378 -4.834 6.489 1.00 0.00 PRO +ATOM 926 HG23 THR 66 31.514 -5.789 7.495 1.00 0.00 PRO +ATOM 927 C THR 66 28.144 -3.674 7.368 1.00 0.00 PRO +ATOM 928 O THR 66 28.660 -2.649 6.887 1.00 0.00 PRO +ATOM 929 N CYS 67 27.099 -4.268 6.789 1.00 0.00 PRO +ATOM 930 HN CYS 67 26.695 -5.086 7.223 1.00 0.00 PRO +ATOM 931 CA CYS 67 26.454 -3.804 5.576 1.00 0.00 PRO +ATOM 932 HA CYS 67 27.184 -3.816 4.777 1.00 0.00 PRO +ATOM 933 CB CYS 67 25.291 -4.770 5.266 1.00 0.00 PRO +ATOM 934 HB1 CYS 67 24.517 -4.677 6.058 1.00 0.00 PRO +ATOM 935 HB2 CYS 67 25.679 -5.807 5.350 1.00 0.00 PRO +ATOM 936 SG CYS 67 24.546 -4.581 3.620 1.00 0.00 PRO +ATOM 937 C CYS 67 25.899 -2.389 5.678 1.00 0.00 PRO +ATOM 938 O CYS 67 26.123 -1.547 4.807 1.00 0.00 PRO +ATOM 939 N ALA 68 25.199 -2.056 6.775 1.00 0.00 PRO +ATOM 940 HN ALA 68 25.036 -2.737 7.491 1.00 0.00 PRO +ATOM 941 CA ALA 68 24.654 -0.729 7.003 1.00 0.00 PRO +ATOM 942 HA ALA 68 24.014 -0.486 6.166 1.00 0.00 PRO +ATOM 943 CB ALA 68 23.827 -0.743 8.295 1.00 0.00 PRO +ATOM 944 HB1 ALA 68 24.455 -1.000 9.175 1.00 0.00 PRO +ATOM 945 HB2 ALA 68 23.029 -1.505 8.200 1.00 0.00 PRO +ATOM 946 HB3 ALA 68 23.346 0.244 8.473 1.00 0.00 PRO +ATOM 947 C ALA 68 25.699 0.371 7.099 1.00 0.00 PRO +ATOM 948 O ALA 68 25.522 1.479 6.574 1.00 0.00 PRO +ATOM 949 N LYS 69 26.815 0.082 7.786 1.00 0.00 PRO +ATOM 950 HN LYS 69 26.894 -0.828 8.198 1.00 0.00 PRO +ATOM 951 CA LYS 69 27.970 0.955 7.907 1.00 0.00 PRO +ATOM 952 HA LYS 69 27.612 1.913 8.256 1.00 0.00 PRO +ATOM 953 CB LYS 69 28.988 0.387 8.937 1.00 0.00 PRO +ATOM 954 HB1 LYS 69 29.876 1.057 8.972 1.00 0.00 PRO +ATOM 955 HB2 LYS 69 29.330 -0.608 8.569 1.00 0.00 PRO +ATOM 956 CG LYS 69 28.411 0.243 10.363 1.00 0.00 PRO +ATOM 957 HG1 LYS 69 27.494 -0.378 10.291 1.00 0.00 PRO +ATOM 958 HG2 LYS 69 28.095 1.239 10.739 1.00 0.00 PRO +ATOM 959 CD LYS 69 29.381 -0.423 11.359 1.00 0.00 PRO +ATOM 960 HD1 LYS 69 29.979 0.341 11.891 1.00 0.00 PRO +ATOM 961 HD2 LYS 69 30.097 -1.025 10.752 1.00 0.00 PRO +ATOM 962 CE LYS 69 28.736 -1.391 12.375 1.00 0.00 PRO +ATOM 963 HE1 LYS 69 29.511 -1.826 13.041 1.00 0.00 PRO +ATOM 964 HE2 LYS 69 28.268 -2.216 11.802 1.00 0.00 PRO +ATOM 965 NZ LYS 69 27.690 -0.764 13.218 1.00 0.00 PRO +ATOM 966 HZ1 LYS 69 26.932 -0.373 12.632 1.00 0.00 PRO +ATOM 967 HZ2 LYS 69 28.048 -0.033 13.859 1.00 0.00 PRO +ATOM 968 HZ3 LYS 69 27.230 -1.497 13.843 1.00 0.00 PRO +ATOM 969 C LYS 69 28.677 1.217 6.585 1.00 0.00 PRO +ATOM 970 O LYS 69 29.138 2.337 6.325 1.00 0.00 PRO +ATOM 971 N ASN 70 28.796 0.187 5.733 1.00 0.00 PRO +ATOM 972 HN ASN 70 28.416 -0.708 5.979 1.00 0.00 PRO +ATOM 973 CA ASN 70 29.556 0.236 4.499 1.00 0.00 PRO +ATOM 974 HA ASN 70 30.408 0.894 4.620 1.00 0.00 PRO +ATOM 975 CB ASN 70 30.024 -1.193 4.104 1.00 0.00 PRO +ATOM 976 HB1 ASN 70 30.437 -1.195 3.071 1.00 0.00 PRO +ATOM 977 HB2 ASN 70 29.157 -1.889 4.138 1.00 0.00 PRO +ATOM 978 CG ASN 70 31.122 -1.727 5.023 1.00 0.00 PRO +ATOM 979 OD1 ASN 70 31.630 -1.094 5.951 1.00 0.00 PRO +ATOM 980 ND2 ASN 70 31.527 -2.979 4.723 1.00 0.00 PRO +ATOM 981 HD21 ASN 70 30.990 -3.526 4.095 1.00 0.00 PRO +ATOM 982 HD22 ASN 70 32.319 -3.340 5.230 1.00 0.00 PRO +ATOM 983 C ASN 70 28.760 0.769 3.318 1.00 0.00 PRO +ATOM 984 O ASN 70 29.340 1.092 2.282 1.00 0.00 PRO +ATOM 985 N CYS 71 27.421 0.859 3.425 1.00 0.00 PRO +ATOM 986 HN CYS 71 26.968 0.618 4.281 1.00 0.00 PRO +ATOM 987 CA CYS 71 26.563 1.078 2.276 1.00 0.00 PRO +ATOM 988 HA CYS 71 27.166 1.344 1.417 1.00 0.00 PRO +ATOM 989 CB CYS 71 25.754 -0.196 1.904 1.00 0.00 PRO +ATOM 990 HB1 CYS 71 25.155 -0.016 0.986 1.00 0.00 PRO +ATOM 991 HB2 CYS 71 25.047 -0.429 2.729 1.00 0.00 PRO +ATOM 992 SG CYS 71 26.842 -1.636 1.651 1.00 0.00 PRO +ATOM 993 C CYS 71 25.608 2.235 2.480 1.00 0.00 PRO +ATOM 994 O CYS 71 25.304 2.699 3.591 1.00 0.00 PRO +ATOM 995 N CYS 72 25.106 2.766 1.368 1.00 0.00 PRO +ATOM 996 HN CYS 72 25.369 2.421 0.459 1.00 0.00 PRO +ATOM 997 CA CYS 72 24.267 3.932 1.365 1.00 0.00 PRO +ATOM 998 HA CYS 72 23.737 3.997 2.302 1.00 0.00 PRO +ATOM 999 CB CYS 72 25.092 5.224 1.140 1.00 0.00 PRO +ATOM 1000 HB1 CYS 72 25.738 5.366 2.030 1.00 0.00 PRO +ATOM 1001 HB2 CYS 72 24.415 6.098 1.082 1.00 0.00 PRO +ATOM 1002 SG CYS 72 26.173 5.183 -0.323 1.00 0.00 PRO +ATOM 1003 C CYS 72 23.210 3.795 0.302 1.00 0.00 PRO +ATOM 1004 O CYS 72 23.327 3.008 -0.626 1.00 0.00 PRO +ATOM 1005 N LEU 73 22.128 4.579 0.472 1.00 0.00 PRO +ATOM 1006 HN LEU 73 22.057 5.185 1.258 1.00 0.00 PRO +ATOM 1007 CA LEU 73 21.083 4.728 -0.512 1.00 0.00 PRO +ATOM 1008 HA LEU 73 21.103 3.902 -1.209 1.00 0.00 PRO +ATOM 1009 CB LEU 73 19.690 4.839 0.159 1.00 0.00 PRO +ATOM 1010 HB1 LEU 73 18.909 4.979 -0.618 1.00 0.00 PRO +ATOM 1011 HB2 LEU 73 19.681 5.738 0.817 1.00 0.00 PRO +ATOM 1012 CG LEU 73 19.298 3.619 1.020 1.00 0.00 PRO +ATOM 1013 HG LEU 73 20.125 3.400 1.735 1.00 0.00 PRO +ATOM 1014 CD1 LEU 73 18.047 3.938 1.851 1.00 0.00 PRO +ATOM 1015 HD11 LEU 73 17.187 4.169 1.185 1.00 0.00 PRO +ATOM 1016 HD12 LEU 73 18.220 4.817 2.506 1.00 0.00 PRO +ATOM 1017 HD13 LEU 73 17.770 3.067 2.483 1.00 0.00 PRO +ATOM 1018 CD2 LEU 73 19.072 2.364 0.163 1.00 0.00 PRO +ATOM 1019 HD21 LEU 73 19.994 2.087 -0.391 1.00 0.00 PRO +ATOM 1020 HD22 LEU 73 18.257 2.529 -0.573 1.00 0.00 PRO +ATOM 1021 HD23 LEU 73 18.783 1.502 0.803 1.00 0.00 PRO +ATOM 1022 C LEU 73 21.367 6.004 -1.278 1.00 0.00 PRO +ATOM 1023 O LEU 73 21.877 6.967 -0.719 1.00 0.00 PRO +ATOM 1024 N ASP 74 21.031 6.023 -2.581 1.00 0.00 PRO +ATOM 1025 HN ASP 74 20.616 5.231 -3.018 1.00 0.00 PRO +ATOM 1026 CA ASP 74 21.310 7.156 -3.434 1.00 0.00 PRO +ATOM 1027 HA ASP 74 21.605 7.999 -2.823 1.00 0.00 PRO +ATOM 1028 CB ASP 74 22.482 6.841 -4.417 1.00 0.00 PRO +ATOM 1029 HB1 ASP 74 22.118 6.312 -5.317 1.00 0.00 PRO +ATOM 1030 HB2 ASP 74 23.196 6.170 -3.896 1.00 0.00 PRO +ATOM 1031 CG ASP 74 23.247 8.098 -4.831 1.00 0.00 PRO +ATOM 1032 OD1 ASP 74 22.593 8.985 -5.456 1.00 0.00 PRO +ATOM 1033 OD2 ASP 74 24.452 8.259 -4.561 1.00 0.00 PRO +ATOM 1034 C ASP 74 20.001 7.567 -4.105 1.00 0.00 PRO +ATOM 1035 O ASP 74 18.973 6.888 -4.011 1.00 0.00 PRO +ATOM 1036 N GLY 75 20.013 8.767 -4.709 1.00 0.00 PRO +ATOM 1037 HN GLY 75 20.925 9.192 -4.807 1.00 0.00 PRO +ATOM 1038 CA GLY 75 18.899 9.433 -5.371 1.00 0.00 PRO +ATOM 1039 HA1 GLY 75 19.303 10.308 -5.852 1.00 0.00 PRO +ATOM 1040 HA2 GLY 75 18.178 9.672 -4.608 1.00 0.00 PRO +ATOM 1041 C GLY 75 18.179 8.646 -6.439 1.00 0.00 PRO +ATOM 1042 O GLY 75 18.640 7.646 -6.961 1.00 0.00 PRO +ATOM 1043 N ALA 76 16.982 9.148 -6.792 1.00 0.00 PRO +ATOM 1044 HN ALA 76 16.629 9.966 -6.338 1.00 0.00 PRO +ATOM 1045 CA ALA 76 16.089 8.496 -7.710 1.00 0.00 PRO +ATOM 1046 HA ALA 76 16.580 7.646 -8.170 1.00 0.00 PRO +ATOM 1047 CB ALA 76 14.852 8.004 -6.935 1.00 0.00 PRO +ATOM 1048 HB1 ALA 76 14.392 8.846 -6.374 1.00 0.00 PRO +ATOM 1049 HB2 ALA 76 15.155 7.233 -6.194 1.00 0.00 PRO +ATOM 1050 HB3 ALA 76 14.086 7.562 -7.603 1.00 0.00 PRO +ATOM 1051 C ALA 76 15.675 9.436 -8.831 1.00 0.00 PRO +ATOM 1052 O ALA 76 15.276 10.592 -8.625 1.00 0.00 PRO +ATOM 1053 N ALA 77 15.727 8.966 -10.089 1.00 0.00 PRO +ATOM 1054 HN ALA 77 16.069 8.053 -10.274 1.00 0.00 PRO +ATOM 1055 CA ALA 77 15.206 9.707 -11.212 1.00 0.00 PRO +ATOM 1056 HA ALA 77 15.212 10.765 -10.990 1.00 0.00 PRO +ATOM 1057 CB ALA 77 16.030 9.488 -12.495 1.00 0.00 PRO +ATOM 1058 HB1 ALA 77 16.124 8.406 -12.727 1.00 0.00 PRO +ATOM 1059 HB2 ALA 77 17.045 9.919 -12.364 1.00 0.00 PRO +ATOM 1060 HB3 ALA 77 15.553 10.006 -13.353 1.00 0.00 PRO +ATOM 1061 C ALA 77 13.771 9.278 -11.434 1.00 0.00 PRO +ATOM 1062 O ALA 77 13.475 8.354 -12.180 1.00 0.00 PRO +ATOM 1063 N TYR 78 12.834 9.973 -10.760 1.00 0.00 PRO +ATOM 1064 HN TYR 78 13.118 10.695 -10.140 1.00 0.00 PRO +ATOM 1065 CA TYR 78 11.445 9.556 -10.662 1.00 0.00 PRO +ATOM 1066 HA TYR 78 11.412 8.604 -10.153 1.00 0.00 PRO +ATOM 1067 CB TYR 78 10.640 10.601 -9.847 1.00 0.00 PRO +ATOM 1068 HB1 TYR 78 9.542 10.461 -9.963 1.00 0.00 PRO +ATOM 1069 HB2 TYR 78 10.882 11.627 -10.188 1.00 0.00 PRO +ATOM 1070 CG TYR 78 10.973 10.485 -8.388 1.00 0.00 PRO +ATOM 1071 CD1 TYR 78 12.124 11.086 -7.847 1.00 0.00 PRO +ATOM 1072 HD1 TYR 78 12.799 11.649 -8.471 1.00 0.00 PRO +ATOM 1073 CE1 TYR 78 12.430 10.944 -6.486 1.00 0.00 PRO +ATOM 1074 HE1 TYR 78 13.334 11.381 -6.085 1.00 0.00 PRO +ATOM 1075 CZ TYR 78 11.568 10.236 -5.648 1.00 0.00 PRO +ATOM 1076 OH TYR 78 11.879 10.067 -4.285 1.00 0.00 PRO +ATOM 1077 HH TYR 78 12.698 10.571 -4.068 1.00 0.00 PRO +ATOM 1078 CD2 TYR 78 10.104 9.790 -7.530 1.00 0.00 PRO +ATOM 1079 HD2 TYR 78 9.208 9.334 -7.923 1.00 0.00 PRO +ATOM 1080 CE2 TYR 78 10.394 9.677 -6.165 1.00 0.00 PRO +ATOM 1081 HE2 TYR 78 9.715 9.149 -5.514 1.00 0.00 PRO +ATOM 1082 C TYR 78 10.746 9.353 -11.985 1.00 0.00 PRO +ATOM 1083 O TYR 78 10.101 8.323 -12.210 1.00 0.00 PRO +ATOM 1084 N ALA 79 10.888 10.293 -12.925 1.00 0.00 PRO +ATOM 1085 HN ALA 79 11.459 11.092 -12.751 1.00 0.00 PRO +ATOM 1086 CA ALA 79 10.140 10.235 -14.158 1.00 0.00 PRO +ATOM 1087 HA ALA 79 9.128 9.924 -13.932 1.00 0.00 PRO +ATOM 1088 CB ALA 79 10.105 11.642 -14.782 1.00 0.00 PRO +ATOM 1089 HB1 ALA 79 11.103 11.954 -15.158 1.00 0.00 PRO +ATOM 1090 HB2 ALA 79 9.778 12.384 -14.025 1.00 0.00 PRO +ATOM 1091 HB3 ALA 79 9.369 11.663 -15.611 1.00 0.00 PRO +ATOM 1092 C ALA 79 10.691 9.243 -15.164 1.00 0.00 PRO +ATOM 1093 O ALA 79 9.947 8.488 -15.802 1.00 0.00 PRO +ATOM 1094 N SER 80 12.019 9.198 -15.342 1.00 0.00 PRO +ATOM 1095 HN SER 80 12.634 9.746 -14.775 1.00 0.00 PRO +ATOM 1096 CA SER 80 12.625 8.426 -16.415 1.00 0.00 PRO +ATOM 1097 HA SER 80 11.940 8.374 -17.253 1.00 0.00 PRO +ATOM 1098 CB SER 80 13.938 9.075 -16.919 1.00 0.00 PRO +ATOM 1099 HB1 SER 80 13.667 10.032 -17.413 1.00 0.00 PRO +ATOM 1100 HB2 SER 80 14.444 8.444 -17.683 1.00 0.00 PRO +ATOM 1101 OG SER 80 14.828 9.372 -15.842 1.00 0.00 PRO +ATOM 1102 HG1 SER 80 15.060 8.529 -15.420 1.00 0.00 PRO +ATOM 1103 C SER 80 12.948 7.003 -16.044 1.00 0.00 PRO +ATOM 1104 O SER 80 13.140 6.173 -16.925 1.00 0.00 PRO +ATOM 1105 N THR 81 13.024 6.685 -14.743 1.00 0.00 PRO +ATOM 1106 HN THR 81 12.927 7.382 -14.033 1.00 0.00 PRO +ATOM 1107 CA THR 81 13.388 5.345 -14.299 1.00 0.00 PRO +ATOM 1108 HA THR 81 13.671 4.718 -15.133 1.00 0.00 PRO +ATOM 1109 CB THR 81 14.533 5.364 -13.299 1.00 0.00 PRO +ATOM 1110 HB THR 81 14.277 5.996 -12.419 1.00 0.00 PRO +ATOM 1111 OG1 THR 81 15.685 5.912 -13.927 1.00 0.00 PRO +ATOM 1112 HG1 THR 81 15.983 5.209 -14.513 1.00 0.00 PRO +ATOM 1113 CG2 THR 81 14.904 3.957 -12.802 1.00 0.00 PRO +ATOM 1114 HG21 THR 81 15.174 3.289 -13.646 1.00 0.00 PRO +ATOM 1115 HG22 THR 81 14.069 3.485 -12.240 1.00 0.00 PRO +ATOM 1116 HG23 THR 81 15.763 4.014 -12.104 1.00 0.00 PRO +ATOM 1117 C THR 81 12.214 4.683 -13.647 1.00 0.00 PRO +ATOM 1118 O THR 81 11.955 3.506 -13.883 1.00 0.00 PRO +ATOM 1119 N TYR 82 11.462 5.425 -12.816 1.00 0.00 PRO +ATOM 1120 HN TYR 82 11.662 6.382 -12.633 1.00 0.00 PRO +ATOM 1121 CA TYR 82 10.433 4.825 -11.987 1.00 0.00 PRO +ATOM 1122 HA TYR 82 10.544 3.753 -11.987 1.00 0.00 PRO +ATOM 1123 CB TYR 82 10.573 5.318 -10.521 1.00 0.00 PRO +ATOM 1124 HB1 TYR 82 9.805 4.835 -9.877 1.00 0.00 PRO +ATOM 1125 HB2 TYR 82 10.454 6.418 -10.453 1.00 0.00 PRO +ATOM 1126 CG TYR 82 11.933 4.922 -10.001 1.00 0.00 PRO +ATOM 1127 CD1 TYR 82 12.188 3.577 -9.697 1.00 0.00 PRO +ATOM 1128 HD1 TYR 82 11.392 2.857 -9.814 1.00 0.00 PRO +ATOM 1129 CE1 TYR 82 13.455 3.164 -9.264 1.00 0.00 PRO +ATOM 1130 HE1 TYR 82 13.636 2.121 -9.052 1.00 0.00 PRO +ATOM 1131 CZ TYR 82 14.480 4.101 -9.114 1.00 0.00 PRO +ATOM 1132 OH TYR 82 15.753 3.688 -8.672 1.00 0.00 PRO +ATOM 1133 HH TYR 82 15.664 2.762 -8.395 1.00 0.00 PRO +ATOM 1134 CD2 TYR 82 12.966 5.860 -9.827 1.00 0.00 PRO +ATOM 1135 HD2 TYR 82 12.784 6.898 -10.047 1.00 0.00 PRO +ATOM 1136 CE2 TYR 82 14.238 5.447 -9.400 1.00 0.00 PRO +ATOM 1137 HE2 TYR 82 15.034 6.163 -9.282 1.00 0.00 PRO +ATOM 1138 C TYR 82 9.035 5.096 -12.500 1.00 0.00 PRO +ATOM 1139 O TYR 82 8.064 4.540 -11.978 1.00 0.00 PRO +ATOM 1140 N GLY 83 8.877 5.937 -13.539 1.00 0.00 PRO +ATOM 1141 HN GLY 83 9.680 6.383 -13.925 1.00 0.00 PRO +ATOM 1142 CA GLY 83 7.582 6.238 -14.151 1.00 0.00 PRO +ATOM 1143 HA1 GLY 83 7.091 5.305 -14.389 1.00 0.00 PRO +ATOM 1144 HA2 GLY 83 7.762 6.854 -15.017 1.00 0.00 PRO +ATOM 1145 C GLY 83 6.662 7.011 -13.253 1.00 0.00 PRO +ATOM 1146 O GLY 83 5.434 6.909 -13.343 1.00 0.00 PRO +ATOM 1147 N VAL 84 7.233 7.826 -12.362 1.00 0.00 PRO +ATOM 1148 HN VAL 84 8.233 7.881 -12.324 1.00 0.00 PRO +ATOM 1149 CA VAL 84 6.503 8.591 -11.376 1.00 0.00 PRO +ATOM 1150 HA VAL 84 5.472 8.266 -11.344 1.00 0.00 PRO +ATOM 1151 CB VAL 84 7.100 8.446 -9.978 1.00 0.00 PRO +ATOM 1152 HB VAL 84 8.186 8.686 -10.017 1.00 0.00 PRO +ATOM 1153 CG1 VAL 84 6.407 9.384 -8.965 1.00 0.00 PRO +ATOM 1154 HG11 VAL 84 5.312 9.202 -8.969 1.00 0.00 PRO +ATOM 1155 HG12 VAL 84 6.595 10.453 -9.191 1.00 0.00 PRO +ATOM 1156 HG13 VAL 84 6.785 9.181 -7.940 1.00 0.00 PRO +ATOM 1157 CG2 VAL 84 6.950 6.979 -9.534 1.00 0.00 PRO +ATOM 1158 HG21 VAL 84 7.481 6.291 -10.224 1.00 0.00 PRO +ATOM 1159 HG22 VAL 84 5.880 6.683 -9.515 1.00 0.00 PRO +ATOM 1160 HG23 VAL 84 7.372 6.832 -8.519 1.00 0.00 PRO +ATOM 1161 C VAL 84 6.524 10.039 -11.813 1.00 0.00 PRO +ATOM 1162 O VAL 84 7.556 10.626 -12.109 1.00 0.00 PRO +ATOM 1163 N THR 85 5.329 10.658 -11.872 1.00 0.00 PRO +ATOM 1164 HN THR 85 4.492 10.179 -11.600 1.00 0.00 PRO +ATOM 1165 CA THR 85 5.205 12.038 -12.301 1.00 0.00 PRO +ATOM 1166 HA THR 85 6.113 12.573 -12.058 1.00 0.00 PRO +ATOM 1167 CB THR 85 4.895 12.245 -13.787 1.00 0.00 PRO +ATOM 1168 HB THR 85 4.581 13.294 -13.980 1.00 0.00 PRO +ATOM 1169 OG1 THR 85 3.864 11.389 -14.249 1.00 0.00 PRO +ATOM 1170 HG1 THR 85 4.088 10.506 -13.924 1.00 0.00 PRO +ATOM 1171 CG2 THR 85 6.136 11.971 -14.647 1.00 0.00 PRO +ATOM 1172 HG21 THR 85 6.455 10.910 -14.556 1.00 0.00 PRO +ATOM 1173 HG22 THR 85 6.983 12.617 -14.340 1.00 0.00 PRO +ATOM 1174 HG23 THR 85 5.914 12.161 -15.719 1.00 0.00 PRO +ATOM 1175 C THR 85 4.112 12.687 -11.499 1.00 0.00 PRO +ATOM 1176 O THR 85 3.178 12.038 -11.028 1.00 0.00 PRO +ATOM 1177 N THR 86 4.206 14.011 -11.312 1.00 0.00 PRO +ATOM 1178 HN THR 86 4.963 14.541 -11.675 1.00 0.00 PRO +ATOM 1179 CA THR 86 3.207 14.782 -10.594 1.00 0.00 PRO +ATOM 1180 HA THR 86 2.298 14.204 -10.520 1.00 0.00 PRO +ATOM 1181 CB THR 86 3.595 15.245 -9.185 1.00 0.00 PRO +ATOM 1182 HB THR 86 2.788 15.878 -8.742 1.00 0.00 PRO +ATOM 1183 OG1 THR 86 4.806 15.997 -9.149 1.00 0.00 PRO +ATOM 1184 HG1 THR 86 4.851 16.290 -8.223 1.00 0.00 PRO +ATOM 1185 CG2 THR 86 3.751 14.021 -8.270 1.00 0.00 PRO +ATOM 1186 HG21 THR 86 4.527 13.324 -8.648 1.00 0.00 PRO +ATOM 1187 HG22 THR 86 2.786 13.471 -8.220 1.00 0.00 PRO +ATOM 1188 HG23 THR 86 4.023 14.329 -7.238 1.00 0.00 PRO +ATOM 1189 C THR 86 2.877 15.997 -11.421 1.00 0.00 PRO +ATOM 1190 O THR 86 3.600 16.379 -12.339 1.00 0.00 PRO +ATOM 1191 N SER 87 1.740 16.631 -11.094 1.00 0.00 PRO +ATOM 1192 HN SER 87 1.168 16.247 -10.365 1.00 0.00 PRO +ATOM 1193 CA SER 87 1.295 17.846 -11.747 1.00 0.00 PRO +ATOM 1194 HA SER 87 2.114 18.555 -11.774 1.00 0.00 PRO +ATOM 1195 CB SER 87 0.736 17.624 -13.181 1.00 0.00 PRO +ATOM 1196 HB1 SER 87 -0.132 16.929 -13.163 1.00 0.00 PRO +ATOM 1197 HB2 SER 87 1.531 17.142 -13.794 1.00 0.00 PRO +ATOM 1198 OG SER 87 0.366 18.846 -13.826 1.00 0.00 PRO +ATOM 1199 HG1 SER 87 -0.320 19.270 -13.298 1.00 0.00 PRO +ATOM 1200 C SER 87 0.196 18.418 -10.893 1.00 0.00 PRO +ATOM 1201 O SER 87 -0.948 17.946 -10.919 1.00 0.00 PRO +ATOM 1202 N GLY 88 0.495 19.449 -10.089 1.00 0.00 PRO +ATOM 1203 HN GLY 88 1.416 19.855 -10.116 1.00 0.00 PRO +ATOM 1204 CA GLY 88 -0.450 20.014 -9.132 1.00 0.00 PRO +ATOM 1205 HA1 GLY 88 -1.350 20.276 -9.671 1.00 0.00 PRO +ATOM 1206 HA2 GLY 88 0.022 20.868 -8.672 1.00 0.00 PRO +ATOM 1207 C GLY 88 -0.828 19.069 -8.014 1.00 0.00 PRO +ATOM 1208 O GLY 88 -0.001 18.653 -7.213 1.00 0.00 PRO +ATOM 1209 N ASN 89 -2.120 18.696 -7.953 1.00 0.00 PRO +ATOM 1210 HN ASN 89 -2.776 18.967 -8.652 1.00 0.00 PRO +ATOM 1211 CA ASN 89 -2.666 17.823 -6.931 1.00 0.00 PRO +ATOM 1212 HA ASN 89 -1.986 17.775 -6.089 1.00 0.00 PRO +ATOM 1213 CB ASN 89 -4.042 18.356 -6.413 1.00 0.00 PRO +ATOM 1214 HB1 ASN 89 -3.864 19.347 -5.946 1.00 0.00 PRO +ATOM 1215 HB2 ASN 89 -4.425 17.672 -5.626 1.00 0.00 PRO +ATOM 1216 CG ASN 89 -5.095 18.530 -7.511 1.00 0.00 PRO +ATOM 1217 OD1 ASN 89 -4.839 18.450 -8.706 1.00 0.00 PRO +ATOM 1218 ND2 ASN 89 -6.352 18.822 -7.090 1.00 0.00 PRO +ATOM 1219 HD21 ASN 89 -7.069 18.787 -7.783 1.00 0.00 PRO +ATOM 1220 HD22 ASN 89 -6.546 18.932 -6.121 1.00 0.00 PRO +ATOM 1221 C ASN 89 -2.817 16.400 -7.464 1.00 0.00 PRO +ATOM 1222 O ASN 89 -3.548 15.599 -6.905 1.00 0.00 PRO +ATOM 1223 N SER 90 -2.140 16.088 -8.593 1.00 0.00 PRO +ATOM 1224 HN SER 90 -1.561 16.776 -9.019 1.00 0.00 PRO +ATOM 1225 CA SER 90 -2.233 14.807 -9.275 1.00 0.00 PRO +ATOM 1226 HA SER 90 -2.931 14.166 -8.758 1.00 0.00 PRO +ATOM 1227 CB SER 90 -2.693 14.983 -10.751 1.00 0.00 PRO +ATOM 1228 HB1 SER 90 -1.940 15.567 -11.324 1.00 0.00 PRO +ATOM 1229 HB2 SER 90 -3.636 15.574 -10.736 1.00 0.00 PRO +ATOM 1230 OG SER 90 -2.959 13.745 -11.416 1.00 0.00 PRO +ATOM 1231 HG1 SER 90 -2.132 13.248 -11.475 1.00 0.00 PRO +ATOM 1232 C SER 90 -0.892 14.103 -9.273 1.00 0.00 PRO +ATOM 1233 O SER 90 0.159 14.726 -9.420 1.00 0.00 PRO +ATOM 1234 N LEU 91 -0.939 12.768 -9.118 1.00 0.00 PRO +ATOM 1235 HN LEU 91 -1.828 12.311 -8.997 1.00 0.00 PRO +ATOM 1236 CA LEU 91 0.185 11.859 -9.105 1.00 0.00 PRO +ATOM 1237 HA LEU 91 1.080 12.353 -9.462 1.00 0.00 PRO +ATOM 1238 CB LEU 91 0.397 11.294 -7.675 1.00 0.00 PRO +ATOM 1239 HB1 LEU 91 -0.597 10.949 -7.310 1.00 0.00 PRO +ATOM 1240 HB2 LEU 91 0.719 12.124 -7.010 1.00 0.00 PRO +ATOM 1241 CG LEU 91 1.380 10.109 -7.524 1.00 0.00 PRO +ATOM 1242 HG LEU 91 1.087 9.291 -8.226 1.00 0.00 PRO +ATOM 1243 CD1 LEU 91 2.828 10.503 -7.839 1.00 0.00 PRO +ATOM 1244 HD11 LEU 91 3.196 11.259 -7.114 1.00 0.00 PRO +ATOM 1245 HD12 LEU 91 2.915 10.914 -8.864 1.00 0.00 PRO +ATOM 1246 HD13 LEU 91 3.480 9.608 -7.776 1.00 0.00 PRO +ATOM 1247 CD2 LEU 91 1.291 9.512 -6.113 1.00 0.00 PRO +ATOM 1248 HD21 LEU 91 0.260 9.151 -5.912 1.00 0.00 PRO +ATOM 1249 HD22 LEU 91 1.564 10.266 -5.346 1.00 0.00 PRO +ATOM 1250 HD23 LEU 91 1.977 8.645 -6.013 1.00 0.00 PRO +ATOM 1251 C LEU 91 -0.133 10.723 -10.054 1.00 0.00 PRO +ATOM 1252 O LEU 91 -1.200 10.110 -9.964 1.00 0.00 PRO +ATOM 1253 N SER 92 0.767 10.409 -10.994 1.00 0.00 PRO +ATOM 1254 HN SER 92 1.641 10.900 -11.056 1.00 0.00 PRO +ATOM 1255 CA SER 92 0.602 9.285 -11.905 1.00 0.00 PRO +ATOM 1256 HA SER 92 -0.285 8.724 -11.652 1.00 0.00 PRO +ATOM 1257 CB SER 92 0.517 9.688 -13.405 1.00 0.00 PRO +ATOM 1258 HB1 SER 92 0.464 8.775 -14.041 1.00 0.00 PRO +ATOM 1259 HB2 SER 92 1.438 10.250 -13.685 1.00 0.00 PRO +ATOM 1260 OG SER 92 -0.634 10.501 -13.674 1.00 0.00 PRO +ATOM 1261 HG1 SER 92 -1.409 9.965 -13.443 1.00 0.00 PRO +ATOM 1262 C SER 92 1.781 8.355 -11.719 1.00 0.00 PRO +ATOM 1263 O SER 92 2.909 8.799 -11.566 1.00 0.00 PRO +ATOM 1264 N ILE 93 1.503 7.029 -11.703 1.00 0.00 PRO +ATOM 1265 HN ILE 93 0.571 6.687 -11.816 1.00 0.00 PRO +ATOM 1266 CA ILE 93 2.519 5.996 -11.582 1.00 0.00 PRO +ATOM 1267 HA ILE 93 3.507 6.430 -11.672 1.00 0.00 PRO +ATOM 1268 CB ILE 93 2.431 5.196 -10.270 1.00 0.00 PRO +ATOM 1269 HB ILE 93 1.504 4.574 -10.279 1.00 0.00 PRO +ATOM 1270 CG2 ILE 93 3.649 4.245 -10.178 1.00 0.00 PRO +ATOM 1271 HG21 ILE 93 4.599 4.819 -10.197 1.00 0.00 PRO +ATOM 1272 HG22 ILE 93 3.667 3.522 -11.021 1.00 0.00 PRO +ATOM 1273 HG23 ILE 93 3.619 3.653 -9.240 1.00 0.00 PRO +ATOM 1274 CG1 ILE 93 2.317 6.115 -9.022 1.00 0.00 PRO +ATOM 1275 HG11 ILE 93 1.475 6.828 -9.162 1.00 0.00 PRO +ATOM 1276 HG12 ILE 93 3.250 6.710 -8.923 1.00 0.00 PRO +ATOM 1277 CD ILE 93 2.041 5.345 -7.720 1.00 0.00 PRO +ATOM 1278 HD1 ILE 93 2.902 4.702 -7.441 1.00 0.00 PRO +ATOM 1279 HD2 ILE 93 1.145 4.695 -7.831 1.00 0.00 PRO +ATOM 1280 HD3 ILE 93 1.852 6.047 -6.880 1.00 0.00 PRO +ATOM 1281 C ILE 93 2.317 5.056 -12.755 1.00 0.00 PRO +ATOM 1282 O ILE 93 1.225 4.478 -12.899 1.00 0.00 PRO +ATOM 1283 N ASP 94 3.328 4.882 -13.621 1.00 0.00 PRO +ATOM 1284 HN ASP 94 4.185 5.395 -13.510 1.00 0.00 PRO +ATOM 1285 CA ASP 94 3.276 3.975 -14.755 1.00 0.00 PRO +ATOM 1286 HA ASP 94 2.243 3.830 -15.039 1.00 0.00 PRO +ATOM 1287 CB ASP 94 4.056 4.493 -15.998 1.00 0.00 PRO +ATOM 1288 HB1 ASP 94 4.117 3.682 -16.757 1.00 0.00 PRO +ATOM 1289 HB2 ASP 94 5.085 4.780 -15.703 1.00 0.00 PRO +ATOM 1290 CG ASP 94 3.402 5.663 -16.725 1.00 0.00 PRO +ATOM 1291 OD1 ASP 94 2.317 6.164 -16.298 1.00 0.00 PRO +ATOM 1292 OD2 ASP 94 3.947 6.023 -17.795 1.00 0.00 PRO +ATOM 1293 C ASP 94 3.815 2.604 -14.346 1.00 0.00 PRO +ATOM 1294 O ASP 94 4.792 2.480 -13.621 1.00 0.00 PRO +ATOM 1295 N PHE 95 3.131 1.523 -14.787 1.00 0.00 PRO +ATOM 1296 HN PHE 95 2.343 1.637 -15.396 1.00 0.00 PRO +ATOM 1297 CA PHE 95 3.410 0.164 -14.366 1.00 0.00 PRO +ATOM 1298 HA PHE 95 3.372 0.150 -13.284 1.00 0.00 PRO +ATOM 1299 CB PHE 95 2.291 -0.752 -14.932 1.00 0.00 PRO +ATOM 1300 HB1 PHE 95 2.306 -0.688 -16.043 1.00 0.00 PRO +ATOM 1301 HB2 PHE 95 1.303 -0.388 -14.584 1.00 0.00 PRO +ATOM 1302 CG PHE 95 2.396 -2.199 -14.523 1.00 0.00 PRO +ATOM 1303 CD1 PHE 95 2.591 -2.563 -13.179 1.00 0.00 PRO +ATOM 1304 HD1 PHE 95 2.704 -1.806 -12.418 1.00 0.00 PRO +ATOM 1305 CE1 PHE 95 2.648 -3.912 -12.810 1.00 0.00 PRO +ATOM 1306 HE1 PHE 95 2.819 -4.198 -11.780 1.00 0.00 PRO +ATOM 1307 CZ PHE 95 2.491 -4.907 -13.781 1.00 0.00 PRO +ATOM 1308 HZ PHE 95 2.540 -5.948 -13.497 1.00 0.00 PRO +ATOM 1309 CD2 PHE 95 2.243 -3.209 -15.485 1.00 0.00 PRO +ATOM 1310 HD2 PHE 95 2.093 -2.943 -16.518 1.00 0.00 PRO +ATOM 1311 CE2 PHE 95 2.281 -4.557 -15.117 1.00 0.00 PRO +ATOM 1312 HE2 PHE 95 2.142 -5.330 -15.856 1.00 0.00 PRO +ATOM 1313 C PHE 95 4.795 -0.381 -14.716 1.00 0.00 PRO +ATOM 1314 O PHE 95 5.485 -0.929 -13.885 1.00 0.00 PRO +ATOM 1315 N VAL 96 5.227 -0.195 -15.985 1.00 0.00 PRO +ATOM 1316 HN VAL 96 4.673 0.289 -16.652 1.00 0.00 PRO +ATOM 1317 CA VAL 96 6.517 -0.679 -16.429 1.00 0.00 PRO +ATOM 1318 HA VAL 96 7.103 -1.002 -15.577 1.00 0.00 PRO +ATOM 1319 CB VAL 96 6.449 -1.868 -17.394 1.00 0.00 PRO +ATOM 1320 HB VAL 96 5.839 -1.579 -18.277 1.00 0.00 PRO +ATOM 1321 CG1 VAL 96 7.856 -2.304 -17.860 1.00 0.00 PRO +ATOM 1322 HG11 VAL 96 8.500 -2.509 -16.977 1.00 0.00 PRO +ATOM 1323 HG12 VAL 96 8.337 -1.527 -18.488 1.00 0.00 PRO +ATOM 1324 HG13 VAL 96 7.779 -3.238 -18.455 1.00 0.00 PRO +ATOM 1325 CG2 VAL 96 5.772 -3.057 -16.684 1.00 0.00 PRO +ATOM 1326 HG21 VAL 96 4.732 -2.804 -16.394 1.00 0.00 PRO +ATOM 1327 HG22 VAL 96 6.323 -3.326 -15.756 1.00 0.00 PRO +ATOM 1328 HG23 VAL 96 5.735 -3.949 -17.343 1.00 0.00 PRO +ATOM 1329 C VAL 96 7.259 0.490 -17.015 1.00 0.00 PRO +ATOM 1330 O VAL 96 6.732 1.321 -17.788 1.00 0.00 PRO +ATOM 1331 N THR 97 8.518 0.657 -16.639 1.00 0.00 PRO +ATOM 1332 HN THR 97 8.923 0.003 -15.986 1.00 0.00 PRO +ATOM 1333 CA THR 97 9.369 1.695 -17.179 1.00 0.00 PRO +ATOM 1334 HA THR 97 8.923 2.107 -18.068 1.00 0.00 PRO +ATOM 1335 CB THR 97 9.663 2.823 -16.199 1.00 0.00 PRO +ATOM 1336 HB THR 97 10.215 2.424 -15.319 1.00 0.00 PRO +ATOM 1337 OG1 THR 97 8.458 3.418 -15.728 1.00 0.00 PRO +ATOM 1338 HG1 THR 97 7.727 3.071 -16.238 1.00 0.00 PRO +ATOM 1339 CG2 THR 97 10.446 3.978 -16.833 1.00 0.00 PRO +ATOM 1340 HG21 THR 97 9.894 4.414 -17.689 1.00 0.00 PRO +ATOM 1341 HG22 THR 97 11.457 3.662 -17.161 1.00 0.00 PRO +ATOM 1342 HG23 THR 97 10.576 4.782 -16.075 1.00 0.00 PRO +ATOM 1343 C THR 97 10.636 1.001 -17.605 1.00 0.00 PRO +ATOM 1344 O THR 97 11.136 0.124 -16.938 1.00 0.00 PRO +ATOM 1345 N GLN 98 11.157 1.382 -18.795 1.00 0.00 PRO +ATOM 1346 HN GLN 98 10.756 2.106 -19.332 1.00 0.00 PRO +ATOM 1347 CA GLN 98 12.409 0.871 -19.300 1.00 0.00 PRO +ATOM 1348 HA GLN 98 12.841 0.153 -18.613 1.00 0.00 PRO +ATOM 1349 CB GLN 98 12.261 0.217 -20.699 1.00 0.00 PRO +ATOM 1350 HB1 GLN 98 13.268 0.049 -21.148 1.00 0.00 PRO +ATOM 1351 HB2 GLN 98 11.729 0.943 -21.356 1.00 0.00 PRO +ATOM 1352 CG GLN 98 11.482 -1.124 -20.707 1.00 0.00 PRO +ATOM 1353 HG1 GLN 98 11.185 -1.345 -21.754 1.00 0.00 PRO +ATOM 1354 HG2 GLN 98 10.569 -1.040 -20.083 1.00 0.00 PRO +ATOM 1355 CD GLN 98 12.306 -2.308 -20.198 1.00 0.00 PRO +ATOM 1356 OE1 GLN 98 13.470 -2.190 -19.779 1.00 0.00 PRO +ATOM 1357 NE2 GLN 98 11.728 -3.520 -20.261 1.00 0.00 PRO +ATOM 1358 HE21 GLN 98 12.235 -4.284 -19.857 1.00 0.00 PRO +ATOM 1359 HE22 GLN 98 10.766 -3.617 -20.515 1.00 0.00 PRO +ATOM 1360 C GLN 98 13.363 2.034 -19.385 1.00 0.00 PRO +ATOM 1361 O GLN 98 13.008 3.132 -19.834 1.00 0.00 PRO +ATOM 1362 N SER 99 14.593 1.829 -18.923 1.00 0.00 PRO +ATOM 1363 HN SER 99 14.840 0.923 -18.570 1.00 0.00 PRO +ATOM 1364 CA SER 99 15.630 2.838 -18.918 1.00 0.00 PRO +ATOM 1365 HA SER 99 15.525 3.453 -19.801 1.00 0.00 PRO +ATOM 1366 CB SER 99 15.583 3.748 -17.659 1.00 0.00 PRO +ATOM 1367 HB1 SER 99 14.634 4.329 -17.693 1.00 0.00 PRO +ATOM 1368 HB2 SER 99 16.419 4.480 -17.676 1.00 0.00 PRO +ATOM 1369 OG SER 99 15.632 3.006 -16.438 1.00 0.00 PRO +ATOM 1370 HG1 SER 99 14.857 2.420 -16.418 1.00 0.00 PRO +ATOM 1371 C SER 99 16.931 2.090 -19.084 1.00 0.00 PRO +ATOM 1372 O SER 99 17.080 1.337 -20.027 1.00 0.00 PRO +ATOM 1373 N ALA 100 17.894 2.212 -18.143 1.00 0.00 PRO +ATOM 1374 HN ALA 100 17.738 2.789 -17.348 1.00 0.00 PRO +ATOM 1375 CA ALA 100 19.054 1.337 -18.119 1.00 0.00 PRO +ATOM 1376 HA ALA 100 19.447 1.220 -19.122 1.00 0.00 PRO +ATOM 1377 CB ALA 100 20.130 1.917 -17.181 1.00 0.00 PRO +ATOM 1378 HB1 ALA 100 19.747 1.990 -16.139 1.00 0.00 PRO +ATOM 1379 HB2 ALA 100 20.437 2.927 -17.522 1.00 0.00 PRO +ATOM 1380 HB3 ALA 100 21.031 1.265 -17.170 1.00 0.00 PRO +ATOM 1381 C ALA 100 18.685 -0.056 -17.616 1.00 0.00 PRO +ATOM 1382 O ALA 100 19.392 -1.029 -17.825 1.00 0.00 PRO +ATOM 1383 N GLN 101 17.519 -0.138 -16.949 1.00 0.00 PRO +ATOM 1384 HN GLN 101 16.982 0.680 -16.769 1.00 0.00 PRO +ATOM 1385 CA GLN 101 16.926 -1.368 -16.517 1.00 0.00 PRO +ATOM 1386 HA GLN 101 17.137 -2.124 -17.265 1.00 0.00 PRO +ATOM 1387 CB GLN 101 17.495 -1.875 -15.158 1.00 0.00 PRO +ATOM 1388 HB1 GLN 101 18.469 -2.360 -15.402 1.00 0.00 PRO +ATOM 1389 HB2 GLN 101 16.831 -2.663 -14.741 1.00 0.00 PRO +ATOM 1390 CG GLN 101 17.788 -0.811 -14.063 1.00 0.00 PRO +ATOM 1391 HG1 GLN 101 18.681 -0.222 -14.371 1.00 0.00 PRO +ATOM 1392 HG2 GLN 101 18.029 -1.304 -13.098 1.00 0.00 PRO +ATOM 1393 CD GLN 101 16.680 0.212 -13.813 1.00 0.00 PRO +ATOM 1394 OE1 GLN 101 16.898 1.413 -13.896 1.00 0.00 PRO +ATOM 1395 NE2 GLN 101 15.463 -0.267 -13.436 1.00 0.00 PRO +ATOM 1396 HE21 GLN 101 14.731 0.377 -13.307 1.00 0.00 PRO +ATOM 1397 HE22 GLN 101 15.289 -1.255 -13.380 1.00 0.00 PRO +ATOM 1398 C GLN 101 15.423 -1.260 -16.524 1.00 0.00 PRO +ATOM 1399 O GLN 101 14.856 -0.145 -16.561 1.00 0.00 PRO +ATOM 1400 N LYS 102 14.733 -2.397 -16.536 1.00 0.00 PRO +ATOM 1401 HN LYS 102 15.224 -3.270 -16.656 1.00 0.00 PRO +ATOM 1402 CA LYS 102 13.321 -2.518 -16.272 1.00 0.00 PRO +ATOM 1403 HA LYS 102 12.816 -1.776 -16.872 1.00 0.00 PRO +ATOM 1404 CB LYS 102 12.790 -3.912 -16.684 1.00 0.00 PRO +ATOM 1405 HB1 LYS 102 13.348 -4.689 -16.113 1.00 0.00 PRO +ATOM 1406 HB2 LYS 102 13.030 -4.052 -17.760 1.00 0.00 PRO +ATOM 1407 CG LYS 102 11.284 -4.144 -16.469 1.00 0.00 PRO +ATOM 1408 HG1 LYS 102 10.699 -3.346 -16.976 1.00 0.00 PRO +ATOM 1409 HG2 LYS 102 11.052 -4.098 -15.379 1.00 0.00 PRO +ATOM 1410 CD LYS 102 10.848 -5.520 -16.995 1.00 0.00 PRO +ATOM 1411 HD1 LYS 102 11.579 -6.271 -16.607 1.00 0.00 PRO +ATOM 1412 HD2 LYS 102 10.913 -5.513 -18.102 1.00 0.00 PRO +ATOM 1413 CE LYS 102 9.437 -5.933 -16.565 1.00 0.00 PRO +ATOM 1414 HE1 LYS 102 8.654 -5.318 -17.053 1.00 0.00 PRO +ATOM 1415 HE2 LYS 102 9.330 -5.832 -15.464 1.00 0.00 PRO +ATOM 1416 NZ LYS 102 9.222 -7.347 -16.904 1.00 0.00 PRO +ATOM 1417 HZ1 LYS 102 9.981 -7.906 -16.457 1.00 0.00 PRO +ATOM 1418 HZ2 LYS 102 9.145 -7.528 -17.913 1.00 0.00 PRO +ATOM 1419 HZ3 LYS 102 8.351 -7.696 -16.390 1.00 0.00 PRO +ATOM 1420 C LYS 102 12.998 -2.214 -14.814 1.00 0.00 PRO +ATOM 1421 O LYS 102 13.676 -2.635 -13.896 1.00 0.00 PRO +ATOM 1422 N ASN 103 11.925 -1.430 -14.621 1.00 0.00 PRO +ATOM 1423 HN ASN 103 11.435 -1.057 -15.405 1.00 0.00 PRO +ATOM 1424 CA ASN 103 11.357 -1.119 -13.340 1.00 0.00 PRO +ATOM 1425 HA ASN 103 11.844 -1.684 -12.553 1.00 0.00 PRO +ATOM 1426 CB ASN 103 11.463 0.409 -13.075 1.00 0.00 PRO +ATOM 1427 HB1 ASN 103 11.094 0.961 -13.960 1.00 0.00 PRO +ATOM 1428 HB2 ASN 103 12.529 0.675 -12.923 1.00 0.00 PRO +ATOM 1429 CG ASN 103 10.695 0.834 -11.830 1.00 0.00 PRO +ATOM 1430 OD1 ASN 103 11.182 0.572 -10.719 1.00 0.00 PRO +ATOM 1431 ND2 ASN 103 9.516 1.467 -11.987 1.00 0.00 PRO +ATOM 1432 HD21 ASN 103 8.947 1.641 -11.180 1.00 0.00 PRO +ATOM 1433 HD22 ASN 103 9.161 1.675 -12.901 1.00 0.00 PRO +ATOM 1434 C ASN 103 9.918 -1.572 -13.397 1.00 0.00 PRO +ATOM 1435 O ASN 103 9.288 -1.472 -14.464 1.00 0.00 PRO +ATOM 1436 N VAL 104 9.377 -2.056 -12.274 1.00 0.00 PRO +ATOM 1437 HN VAL 104 9.899 -2.158 -11.427 1.00 0.00 PRO +ATOM 1438 CA VAL 104 7.978 -2.388 -12.139 1.00 0.00 PRO +ATOM 1439 HA VAL 104 7.437 -2.082 -13.021 1.00 0.00 PRO +ATOM 1440 CB VAL 104 7.747 -3.877 -11.942 1.00 0.00 PRO +ATOM 1441 HB VAL 104 8.251 -4.236 -11.013 1.00 0.00 PRO +ATOM 1442 CG1 VAL 104 6.236 -4.177 -11.843 1.00 0.00 PRO +ATOM 1443 HG11 VAL 104 5.694 -3.792 -12.732 1.00 0.00 PRO +ATOM 1444 HG12 VAL 104 5.787 -3.738 -10.929 1.00 0.00 PRO +ATOM 1445 HG13 VAL 104 6.065 -5.278 -11.796 1.00 0.00 PRO +ATOM 1446 CG2 VAL 104 8.354 -4.623 -13.145 1.00 0.00 PRO +ATOM 1447 HG21 VAL 104 9.452 -4.486 -13.209 1.00 0.00 PRO +ATOM 1448 HG22 VAL 104 7.879 -4.285 -14.089 1.00 0.00 PRO +ATOM 1449 HG23 VAL 104 8.161 -5.706 -13.024 1.00 0.00 PRO +ATOM 1450 C VAL 104 7.445 -1.589 -10.965 1.00 0.00 PRO +ATOM 1451 O VAL 104 7.944 -1.672 -9.850 1.00 0.00 PRO +ATOM 1452 N GLY 105 6.418 -0.752 -11.236 1.00 0.00 PRO +ATOM 1453 HN GLY 105 6.077 -0.721 -12.179 1.00 0.00 PRO +ATOM 1454 CA GLY 105 5.734 0.093 -10.263 1.00 0.00 PRO +ATOM 1455 HA1 GLY 105 5.198 -0.579 -9.611 1.00 0.00 PRO +ATOM 1456 HA2 GLY 105 5.081 0.746 -10.820 1.00 0.00 PRO +ATOM 1457 C GLY 105 6.585 0.983 -9.380 1.00 0.00 PRO +ATOM 1458 O GLY 105 7.733 1.297 -9.642 1.00 0.00 PRO +ATOM 1459 N ALA 106 5.963 1.441 -8.275 1.00 0.00 PRO +ATOM 1460 HN ALA 106 5.036 1.155 -8.053 1.00 0.00 PRO +ATOM 1461 CA ALA 106 6.631 2.251 -7.292 1.00 0.00 PRO +ATOM 1462 HA ALA 106 7.611 1.835 -7.095 1.00 0.00 PRO +ATOM 1463 CB ALA 106 6.751 3.732 -7.726 1.00 0.00 PRO +ATOM 1464 HB1 ALA 106 5.745 4.169 -7.906 1.00 0.00 PRO +ATOM 1465 HB2 ALA 106 7.331 3.799 -8.672 1.00 0.00 PRO +ATOM 1466 HB3 ALA 106 7.271 4.337 -6.954 1.00 0.00 PRO +ATOM 1467 C ALA 106 5.843 2.175 -6.010 1.00 0.00 PRO +ATOM 1468 O ALA 106 4.645 1.846 -6.017 1.00 0.00 PRO +ATOM 1469 N ARG 107 6.479 2.495 -4.882 1.00 0.00 PRO +ATOM 1470 HN ARG 107 7.455 2.705 -4.885 1.00 0.00 PRO +ATOM 1471 CA ARG 107 5.815 2.700 -3.617 1.00 0.00 PRO +ATOM 1472 HA ARG 107 4.749 2.793 -3.767 1.00 0.00 PRO +ATOM 1473 CB ARG 107 6.098 1.558 -2.617 1.00 0.00 PRO +ATOM 1474 HB1 ARG 107 7.194 1.453 -2.465 1.00 0.00 PRO +ATOM 1475 HB2 ARG 107 5.736 0.615 -3.088 1.00 0.00 PRO +ATOM 1476 CG ARG 107 5.397 1.727 -1.254 1.00 0.00 PRO +ATOM 1477 HG1 ARG 107 4.335 2.006 -1.436 1.00 0.00 PRO +ATOM 1478 HG2 ARG 107 5.864 2.558 -0.680 1.00 0.00 PRO +ATOM 1479 CD ARG 107 5.382 0.455 -0.388 1.00 0.00 PRO +ATOM 1480 HD1 ARG 107 4.831 -0.351 -0.936 1.00 0.00 PRO +ATOM 1481 HD2 ARG 107 4.848 0.660 0.568 1.00 0.00 PRO +ATOM 1482 NE ARG 107 6.777 0.073 -0.075 1.00 0.00 PRO +ATOM 1483 HE ARG 107 7.320 0.718 0.486 1.00 0.00 PRO +ATOM 1484 CZ ARG 107 7.285 -1.169 -0.075 1.00 0.00 PRO +ATOM 1485 NH1 ARG 107 6.580 -2.197 -0.603 1.00 0.00 PRO +ATOM 1486 HH11 ARG 107 5.753 -2.022 -1.074 1.00 0.00 PRO +ATOM 1487 HH12 ARG 107 7.058 -3.075 -0.639 1.00 0.00 PRO +ATOM 1488 NH2 ARG 107 8.443 -1.430 0.364 1.00 0.00 PRO +ATOM 1489 HH21 ARG 107 9.101 -0.673 0.573 1.00 0.00 PRO +ATOM 1490 HH22 ARG 107 8.803 -2.364 0.249 1.00 0.00 PRO +ATOM 1491 C ARG 107 6.326 4.031 -3.109 1.00 0.00 PRO +ATOM 1492 O ARG 107 7.514 4.271 -3.023 1.00 0.00 PRO +ATOM 1493 N LEU 108 5.373 4.956 -2.860 1.00 0.00 PRO +ATOM 1494 HN LEU 108 4.403 4.737 -2.930 1.00 0.00 PRO +ATOM 1495 CA LEU 108 5.662 6.347 -2.616 1.00 0.00 PRO +ATOM 1496 HA LEU 108 6.726 6.499 -2.534 1.00 0.00 PRO +ATOM 1497 CB LEU 108 5.066 7.235 -3.740 1.00 0.00 PRO +ATOM 1498 HB1 LEU 108 5.227 8.308 -3.506 1.00 0.00 PRO +ATOM 1499 HB2 LEU 108 3.966 7.053 -3.766 1.00 0.00 PRO +ATOM 1500 CG LEU 108 5.617 6.952 -5.153 1.00 0.00 PRO +ATOM 1501 HG LEU 108 5.612 5.849 -5.326 1.00 0.00 PRO +ATOM 1502 CD1 LEU 108 4.709 7.575 -6.217 1.00 0.00 PRO +ATOM 1503 HD11 LEU 108 4.687 8.679 -6.107 1.00 0.00 PRO +ATOM 1504 HD12 LEU 108 3.676 7.182 -6.106 1.00 0.00 PRO +ATOM 1505 HD13 LEU 108 5.070 7.317 -7.234 1.00 0.00 PRO +ATOM 1506 CD2 LEU 108 7.053 7.465 -5.314 1.00 0.00 PRO +ATOM 1507 HD21 LEU 108 7.709 6.977 -4.568 1.00 0.00 PRO +ATOM 1508 HD22 LEU 108 7.098 8.563 -5.158 1.00 0.00 PRO +ATOM 1509 HD23 LEU 108 7.441 7.228 -6.326 1.00 0.00 PRO +ATOM 1510 C LEU 108 5.032 6.766 -1.312 1.00 0.00 PRO +ATOM 1511 O LEU 108 3.933 6.326 -0.974 1.00 0.00 PRO +ATOM 1512 N TYR 109 5.699 7.654 -0.563 1.00 0.00 PRO +ATOM 1513 HN TYR 109 6.612 7.957 -0.847 1.00 0.00 PRO +ATOM 1514 CA TYR 109 5.204 8.162 0.702 1.00 0.00 PRO +ATOM 1515 HA TYR 109 4.252 7.710 0.944 1.00 0.00 PRO +ATOM 1516 CB TYR 109 6.210 7.941 1.863 1.00 0.00 PRO +ATOM 1517 HB1 TYR 109 5.766 8.225 2.841 1.00 0.00 PRO +ATOM 1518 HB2 TYR 109 7.125 8.544 1.692 1.00 0.00 PRO +ATOM 1519 CG TYR 109 6.603 6.494 1.924 1.00 0.00 PRO +ATOM 1520 CD1 TYR 109 5.618 5.520 2.136 1.00 0.00 PRO +ATOM 1521 HD1 TYR 109 4.598 5.836 2.291 1.00 0.00 PRO +ATOM 1522 CE1 TYR 109 5.941 4.156 2.082 1.00 0.00 PRO +ATOM 1523 HE1 TYR 109 5.167 3.414 2.216 1.00 0.00 PRO +ATOM 1524 CZ TYR 109 7.261 3.761 1.828 1.00 0.00 PRO +ATOM 1525 OH TYR 109 7.589 2.401 1.664 1.00 0.00 PRO +ATOM 1526 HH TYR 109 8.568 2.305 1.666 1.00 0.00 PRO +ATOM 1527 CD2 TYR 109 7.934 6.086 1.734 1.00 0.00 PRO +ATOM 1528 HD2 TYR 109 8.707 6.822 1.585 1.00 0.00 PRO +ATOM 1529 CE2 TYR 109 8.261 4.724 1.688 1.00 0.00 PRO +ATOM 1530 HE2 TYR 109 9.280 4.417 1.516 1.00 0.00 PRO +ATOM 1531 C TYR 109 4.991 9.647 0.561 1.00 0.00 PRO +ATOM 1532 O TYR 109 5.790 10.342 -0.061 1.00 0.00 PRO +ATOM 1533 N LEU 110 3.891 10.185 1.129 1.00 0.00 PRO +ATOM 1534 HN LEU 110 3.242 9.594 1.614 1.00 0.00 PRO +ATOM 1535 CA LEU 110 3.718 11.625 1.200 1.00 0.00 PRO +ATOM 1536 HA LEU 110 4.032 12.035 0.251 1.00 0.00 PRO +ATOM 1537 CB LEU 110 2.243 12.046 1.432 1.00 0.00 PRO +ATOM 1538 HB1 LEU 110 1.952 11.737 2.461 1.00 0.00 PRO +ATOM 1539 HB2 LEU 110 1.607 11.477 0.720 1.00 0.00 PRO +ATOM 1540 CG LEU 110 1.948 13.558 1.254 1.00 0.00 PRO +ATOM 1541 HG LEU 110 2.682 14.148 1.852 1.00 0.00 PRO +ATOM 1542 CD1 LEU 110 2.057 14.001 -0.214 1.00 0.00 PRO +ATOM 1543 HD11 LEU 110 1.315 13.452 -0.829 1.00 0.00 PRO +ATOM 1544 HD12 LEU 110 3.068 13.794 -0.621 1.00 0.00 PRO +ATOM 1545 HD13 LEU 110 1.860 15.089 -0.309 1.00 0.00 PRO +ATOM 1546 CD2 LEU 110 0.559 13.914 1.799 1.00 0.00 PRO +ATOM 1547 HD21 LEU 110 0.495 13.641 2.872 1.00 0.00 PRO +ATOM 1548 HD22 LEU 110 -0.232 13.372 1.243 1.00 0.00 PRO +ATOM 1549 HD23 LEU 110 0.372 15.003 1.703 1.00 0.00 PRO +ATOM 1550 C LEU 110 4.610 12.244 2.274 1.00 0.00 PRO +ATOM 1551 O LEU 110 4.744 11.755 3.391 1.00 0.00 PRO +ATOM 1552 N MET 111 5.238 13.381 1.940 1.00 0.00 PRO +ATOM 1553 HN MET 111 5.156 13.748 1.012 1.00 0.00 PRO +ATOM 1554 CA MET 111 6.149 14.068 2.813 1.00 0.00 PRO +ATOM 1555 HA MET 111 6.325 13.479 3.700 1.00 0.00 PRO +ATOM 1556 CB MET 111 7.512 14.317 2.145 1.00 0.00 PRO +ATOM 1557 HB1 MET 111 8.170 14.801 2.894 1.00 0.00 PRO +ATOM 1558 HB2 MET 111 7.398 15.013 1.282 1.00 0.00 PRO +ATOM 1559 CG MET 111 8.233 13.057 1.647 1.00 0.00 PRO +ATOM 1560 HG1 MET 111 7.731 12.700 0.719 1.00 0.00 PRO +ATOM 1561 HG2 MET 111 8.139 12.243 2.399 1.00 0.00 PRO +ATOM 1562 SD MET 111 9.988 13.391 1.311 1.00 0.00 PRO +ATOM 1563 CE MET 111 10.596 12.987 2.972 1.00 0.00 PRO +ATOM 1564 HE1 MET 111 10.346 11.939 3.240 1.00 0.00 PRO +ATOM 1565 HE2 MET 111 10.154 13.659 3.735 1.00 0.00 PRO +ATOM 1566 HE3 MET 111 11.701 13.092 3.015 1.00 0.00 PRO +ATOM 1567 C MET 111 5.606 15.397 3.270 1.00 0.00 PRO +ATOM 1568 O MET 111 4.794 16.053 2.585 1.00 0.00 PRO +ATOM 1569 N ALA 112 6.038 15.851 4.451 1.00 0.00 PRO +ATOM 1570 HN ALA 112 6.691 15.292 4.981 1.00 0.00 PRO +ATOM 1571 CA ALA 112 5.690 17.148 4.985 1.00 0.00 PRO +ATOM 1572 HA ALA 112 4.814 17.533 4.484 1.00 0.00 PRO +ATOM 1573 CB ALA 112 5.418 17.028 6.492 1.00 0.00 PRO +ATOM 1574 HB1 ALA 112 6.284 16.587 7.027 1.00 0.00 PRO +ATOM 1575 HB2 ALA 112 4.540 16.375 6.666 1.00 0.00 PRO +ATOM 1576 HB3 ALA 112 5.191 18.022 6.928 1.00 0.00 PRO +ATOM 1577 C ALA 112 6.827 18.135 4.805 1.00 0.00 PRO +ATOM 1578 O ALA 112 6.645 19.354 4.930 1.00 0.00 PRO +ATOM 1579 N SER 113 8.026 17.634 4.499 1.00 0.00 PRO +ATOM 1580 HN SER 113 8.165 16.643 4.395 1.00 0.00 PRO +ATOM 1581 CA SER 113 9.207 18.418 4.221 1.00 0.00 PRO +ATOM 1582 HA SER 113 8.946 19.184 3.506 1.00 0.00 PRO +ATOM 1583 CB SER 113 9.894 19.024 5.485 1.00 0.00 PRO +ATOM 1584 HB1 SER 113 9.135 19.584 6.074 1.00 0.00 PRO +ATOM 1585 HB2 SER 113 10.661 19.759 5.150 1.00 0.00 PRO +ATOM 1586 OG SER 113 10.538 18.050 6.320 1.00 0.00 PRO +ATOM 1587 HG1 SER 113 9.856 17.574 6.829 1.00 0.00 PRO +ATOM 1588 C SER 113 10.147 17.447 3.552 1.00 0.00 PRO +ATOM 1589 O SER 113 9.873 16.262 3.518 1.00 0.00 PRO +ATOM 1590 N ASP 114 11.304 17.905 3.041 1.00 0.00 PRO +ATOM 1591 HN ASP 114 11.508 18.879 3.044 1.00 0.00 PRO +ATOM 1592 CA ASP 114 12.248 17.035 2.366 1.00 0.00 PRO +ATOM 1593 HA ASP 114 11.722 16.481 1.598 1.00 0.00 PRO +ATOM 1594 CB ASP 114 13.398 17.871 1.750 1.00 0.00 PRO +ATOM 1595 HB1 ASP 114 14.222 17.207 1.412 1.00 0.00 PRO +ATOM 1596 HB2 ASP 114 13.788 18.583 2.500 1.00 0.00 PRO +ATOM 1597 CG ASP 114 12.995 18.653 0.518 1.00 0.00 PRO +ATOM 1598 OD1 ASP 114 11.971 18.336 -0.126 1.00 0.00 PRO +ATOM 1599 OD2 ASP 114 13.859 19.493 0.136 1.00 0.00 PRO +ATOM 1600 C ASP 114 12.909 16.005 3.281 1.00 0.00 PRO +ATOM 1601 O ASP 114 13.560 15.075 2.809 1.00 0.00 PRO +ATOM 1602 N THR 115 12.811 16.168 4.618 1.00 0.00 PRO +ATOM 1603 HN THR 115 12.347 16.979 4.983 1.00 0.00 PRO +ATOM 1604 CA THR 115 13.401 15.232 5.563 1.00 0.00 PRO +ATOM 1605 HA THR 115 13.856 14.413 5.023 1.00 0.00 PRO +ATOM 1606 CB THR 115 14.504 15.848 6.437 1.00 0.00 PRO +ATOM 1607 HB THR 115 14.871 15.138 7.211 1.00 0.00 PRO +ATOM 1608 OG1 THR 115 14.123 17.060 7.082 1.00 0.00 PRO +ATOM 1609 HG1 THR 115 13.243 16.932 7.453 1.00 0.00 PRO +ATOM 1610 CG2 THR 115 15.691 16.190 5.524 1.00 0.00 PRO +ATOM 1611 HG21 THR 115 15.383 16.930 4.756 1.00 0.00 PRO +ATOM 1612 HG22 THR 115 16.047 15.274 5.011 1.00 0.00 PRO +ATOM 1613 HG23 THR 115 16.515 16.630 6.122 1.00 0.00 PRO +ATOM 1614 C THR 115 12.404 14.545 6.475 1.00 0.00 PRO +ATOM 1615 O THR 115 12.813 13.808 7.355 1.00 0.00 PRO +ATOM 1616 N THR 116 11.074 14.747 6.278 1.00 0.00 PRO +ATOM 1617 HN THR 116 10.740 15.311 5.526 1.00 0.00 PRO +ATOM 1618 CA THR 116 10.068 14.162 7.171 1.00 0.00 PRO +ATOM 1619 HA THR 116 10.460 13.242 7.585 1.00 0.00 PRO +ATOM 1620 CB THR 116 9.600 15.056 8.336 1.00 0.00 PRO +ATOM 1621 HB THR 116 8.853 14.501 8.959 1.00 0.00 PRO +ATOM 1622 OG1 THR 116 9.007 16.277 7.890 1.00 0.00 PRO +ATOM 1623 HG1 THR 116 8.176 16.001 7.483 1.00 0.00 PRO +ATOM 1624 CG2 THR 116 10.773 15.421 9.258 1.00 0.00 PRO +ATOM 1625 HG21 THR 116 11.506 16.060 8.724 1.00 0.00 PRO +ATOM 1626 HG22 THR 116 11.284 14.498 9.606 1.00 0.00 PRO +ATOM 1627 HG23 THR 116 10.399 15.979 10.142 1.00 0.00 PRO +ATOM 1628 C THR 116 8.807 13.779 6.431 1.00 0.00 PRO +ATOM 1629 O THR 116 8.318 14.518 5.559 1.00 0.00 PRO +ATOM 1630 N TYR 117 8.193 12.651 6.797 1.00 0.00 PRO +ATOM 1631 HN TYR 117 8.585 12.056 7.514 1.00 0.00 PRO +ATOM 1632 CA TYR 117 6.887 12.240 6.323 1.00 0.00 PRO +ATOM 1633 HA TYR 117 6.907 12.329 5.247 1.00 0.00 PRO +ATOM 1634 CB TYR 117 6.540 10.775 6.668 1.00 0.00 PRO +ATOM 1635 HB1 TYR 117 5.547 10.485 6.262 1.00 0.00 PRO +ATOM 1636 HB2 TYR 117 6.516 10.636 7.772 1.00 0.00 PRO +ATOM 1637 CG TYR 117 7.538 9.829 6.064 1.00 0.00 PRO +ATOM 1638 CD1 TYR 117 7.782 9.805 4.678 1.00 0.00 PRO +ATOM 1639 HD1 TYR 117 7.261 10.487 4.022 1.00 0.00 PRO +ATOM 1640 CE1 TYR 117 8.681 8.873 4.137 1.00 0.00 PRO +ATOM 1641 HE1 TYR 117 8.868 8.845 3.078 1.00 0.00 PRO +ATOM 1642 CZ TYR 117 9.321 7.948 4.967 1.00 0.00 PRO +ATOM 1643 OH TYR 117 10.200 6.995 4.420 1.00 0.00 PRO +ATOM 1644 HH TYR 117 10.423 6.351 5.109 1.00 0.00 PRO +ATOM 1645 CD2 TYR 117 8.189 8.896 6.883 1.00 0.00 PRO +ATOM 1646 HD2 TYR 117 7.979 8.884 7.941 1.00 0.00 PRO +ATOM 1647 CE2 TYR 117 9.083 7.965 6.342 1.00 0.00 PRO +ATOM 1648 HE2 TYR 117 9.558 7.243 6.987 1.00 0.00 PRO +ATOM 1649 C TYR 117 5.747 13.125 6.790 1.00 0.00 PRO +ATOM 1650 O TYR 117 5.848 13.870 7.774 1.00 0.00 PRO +ATOM 1651 N GLN 118 4.622 13.089 6.063 1.00 0.00 PRO +ATOM 1652 HN GLN 118 4.563 12.500 5.250 1.00 0.00 PRO +ATOM 1653 CA GLN 118 3.397 13.722 6.489 1.00 0.00 PRO +ATOM 1654 HA GLN 118 3.623 14.529 7.169 1.00 0.00 PRO +ATOM 1655 CB GLN 118 2.609 14.270 5.273 1.00 0.00 PRO +ATOM 1656 HB1 GLN 118 2.372 13.424 4.588 1.00 0.00 PRO +ATOM 1657 HB2 GLN 118 3.288 14.954 4.719 1.00 0.00 PRO +ATOM 1658 CG GLN 118 1.312 15.046 5.609 1.00 0.00 PRO +ATOM 1659 HG1 GLN 118 0.575 14.381 6.103 1.00 0.00 PRO +ATOM 1660 HG2 GLN 118 0.861 15.423 4.667 1.00 0.00 PRO +ATOM 1661 CD GLN 118 1.600 16.253 6.497 1.00 0.00 PRO +ATOM 1662 OE1 GLN 118 2.109 17.277 6.025 1.00 0.00 PRO +ATOM 1663 NE2 GLN 118 1.288 16.151 7.803 1.00 0.00 PRO +ATOM 1664 HE21 GLN 118 0.825 15.334 8.144 1.00 0.00 PRO +ATOM 1665 HE22 GLN 118 1.631 16.903 8.377 1.00 0.00 PRO +ATOM 1666 C GLN 118 2.538 12.715 7.237 1.00 0.00 PRO +ATOM 1667 O GLN 118 2.091 11.719 6.689 1.00 0.00 PRO +ATOM 1668 N GLU 119 2.287 13.002 8.531 1.00 0.00 PRO +ATOM 1669 HN GLU 119 2.691 13.795 8.958 1.00 0.00 PRO +ATOM 1670 CA GLU 119 1.474 12.168 9.388 1.00 0.00 PRO +ATOM 1671 HA GLU 119 1.534 11.132 9.067 1.00 0.00 PRO +ATOM 1672 CB GLU 119 1.910 12.289 10.872 1.00 0.00 PRO +ATOM 1673 HB1 GLU 119 1.256 11.643 11.506 1.00 0.00 PRO +ATOM 1674 HB2 GLU 119 1.780 13.338 11.199 1.00 0.00 PRO +ATOM 1675 CG GLU 119 3.376 11.876 11.124 1.00 0.00 PRO +ATOM 1676 HG1 GLU 119 3.681 12.127 12.159 1.00 0.00 PRO +ATOM 1677 HG2 GLU 119 4.073 12.368 10.415 1.00 0.00 PRO +ATOM 1678 CD GLU 119 3.591 10.373 10.988 1.00 0.00 PRO +ATOM 1679 OE1 GLU 119 2.569 9.635 10.928 1.00 0.00 PRO +ATOM 1680 OE2 GLU 119 4.775 9.983 11.002 1.00 0.00 PRO +ATOM 1681 C GLU 119 0.035 12.616 9.319 1.00 0.00 PRO +ATOM 1682 O GLU 119 -0.252 13.820 9.204 1.00 0.00 PRO +ATOM 1683 N PHE 120 -0.900 11.669 9.417 1.00 0.00 PRO +ATOM 1684 HN PHE 120 -0.623 10.700 9.406 1.00 0.00 PRO +ATOM 1685 CA PHE 120 -2.321 11.923 9.429 1.00 0.00 PRO +ATOM 1686 HA PHE 120 -2.508 12.977 9.566 1.00 0.00 PRO +ATOM 1687 CB PHE 120 -3.017 11.420 8.140 1.00 0.00 PRO +ATOM 1688 HB1 PHE 120 -4.124 11.477 8.228 1.00 0.00 PRO +ATOM 1689 HB2 PHE 120 -2.743 10.356 7.958 1.00 0.00 PRO +ATOM 1690 CG PHE 120 -2.596 12.223 6.939 1.00 0.00 PRO +ATOM 1691 CD1 PHE 120 -1.404 11.934 6.252 1.00 0.00 PRO +ATOM 1692 HD1 PHE 120 -0.743 11.164 6.630 1.00 0.00 PRO +ATOM 1693 CE1 PHE 120 -1.093 12.588 5.056 1.00 0.00 PRO +ATOM 1694 HE1 PHE 120 -0.181 12.330 4.536 1.00 0.00 PRO +ATOM 1695 CZ PHE 120 -1.957 13.568 4.548 1.00 0.00 PRO +ATOM 1696 HZ PHE 120 -1.720 14.079 3.627 1.00 0.00 PRO +ATOM 1697 CD2 PHE 120 -3.456 13.199 6.413 1.00 0.00 PRO +ATOM 1698 HD2 PHE 120 -4.387 13.399 6.916 1.00 0.00 PRO +ATOM 1699 CE2 PHE 120 -3.140 13.875 5.229 1.00 0.00 PRO +ATOM 1700 HE2 PHE 120 -3.816 14.616 4.829 1.00 0.00 PRO +ATOM 1701 C PHE 120 -2.945 11.195 10.601 1.00 0.00 PRO +ATOM 1702 O PHE 120 -2.755 10.017 10.799 1.00 0.00 PRO +ATOM 1703 N THR 121 -3.739 11.924 11.415 1.00 0.00 PRO +ATOM 1704 HN THR 121 -3.841 12.900 11.302 1.00 0.00 PRO +ATOM 1705 CA THR 121 -4.523 11.300 12.472 1.00 0.00 PRO +ATOM 1706 HA THR 121 -4.130 10.322 12.717 1.00 0.00 PRO +ATOM 1707 CB THR 121 -4.551 12.135 13.737 1.00 0.00 PRO +ATOM 1708 HB THR 121 -4.952 13.153 13.523 1.00 0.00 PRO +ATOM 1709 OG1 THR 121 -3.224 12.265 14.226 1.00 0.00 PRO +ATOM 1710 HG1 THR 121 -2.955 11.350 14.421 1.00 0.00 PRO +ATOM 1711 CG2 THR 121 -5.390 11.479 14.844 1.00 0.00 PRO +ATOM 1712 HG21 THR 121 -5.003 10.464 15.076 1.00 0.00 PRO +ATOM 1713 HG22 THR 121 -6.457 11.393 14.550 1.00 0.00 PRO +ATOM 1714 HG23 THR 121 -5.343 12.090 15.771 1.00 0.00 PRO +ATOM 1715 C THR 121 -5.908 11.102 11.935 1.00 0.00 PRO +ATOM 1716 O THR 121 -6.669 12.068 11.749 1.00 0.00 PRO +ATOM 1717 N LEU 122 -6.274 9.862 11.603 1.00 0.00 PRO +ATOM 1718 HN LEU 122 -5.654 9.092 11.774 1.00 0.00 PRO +ATOM 1719 CA LEU 122 -7.487 9.568 10.865 1.00 0.00 PRO +ATOM 1720 HA LEU 122 -7.617 10.322 10.102 1.00 0.00 PRO +ATOM 1721 CB LEU 122 -7.385 8.184 10.178 1.00 0.00 PRO +ATOM 1722 HB1 LEU 122 -8.349 7.929 9.682 1.00 0.00 PRO +ATOM 1723 HB2 LEU 122 -7.190 7.409 10.949 1.00 0.00 PRO +ATOM 1724 CG LEU 122 -6.280 8.071 9.102 1.00 0.00 PRO +ATOM 1725 HG LEU 122 -5.299 8.363 9.549 1.00 0.00 PRO +ATOM 1726 CD1 LEU 122 -6.148 6.615 8.629 1.00 0.00 PRO +ATOM 1727 HD11 LEU 122 -7.094 6.265 8.165 1.00 0.00 PRO +ATOM 1728 HD12 LEU 122 -5.903 5.944 9.478 1.00 0.00 PRO +ATOM 1729 HD13 LEU 122 -5.334 6.525 7.878 1.00 0.00 PRO +ATOM 1730 CD2 LEU 122 -6.552 8.988 7.899 1.00 0.00 PRO +ATOM 1731 HD21 LEU 122 -6.553 10.054 8.199 1.00 0.00 PRO +ATOM 1732 HD22 LEU 122 -7.531 8.737 7.438 1.00 0.00 PRO +ATOM 1733 HD23 LEU 122 -5.760 8.844 7.132 1.00 0.00 PRO +ATOM 1734 C LEU 122 -8.738 9.615 11.718 1.00 0.00 PRO +ATOM 1735 O LEU 122 -9.829 9.908 11.215 1.00 0.00 PRO +ATOM 1736 N LEU 123 -8.645 9.364 13.034 1.00 0.00 PRO +ATOM 1737 HN LEU 123 -7.745 9.194 13.450 1.00 0.00 PRO +ATOM 1738 CA LEU 123 -9.813 9.254 13.888 1.00 0.00 PRO +ATOM 1739 HA LEU 123 -10.480 8.554 13.395 1.00 0.00 PRO +ATOM 1740 CB LEU 123 -9.458 8.672 15.279 1.00 0.00 PRO +ATOM 1741 HB1 LEU 123 -8.804 9.401 15.802 1.00 0.00 PRO +ATOM 1742 HB2 LEU 123 -8.865 7.745 15.133 1.00 0.00 PRO +ATOM 1743 CG LEU 123 -10.671 8.337 16.178 1.00 0.00 PRO +ATOM 1744 HG LEU 123 -11.343 9.226 16.229 1.00 0.00 PRO +ATOM 1745 CD1 LEU 123 -11.471 7.152 15.619 1.00 0.00 PRO +ATOM 1746 HD11 LEU 123 -10.820 6.257 15.512 1.00 0.00 PRO +ATOM 1747 HD12 LEU 123 -11.895 7.388 14.620 1.00 0.00 PRO +ATOM 1748 HD13 LEU 123 -12.314 6.891 16.291 1.00 0.00 PRO +ATOM 1749 CD2 LEU 123 -10.225 8.035 17.615 1.00 0.00 PRO +ATOM 1750 HD21 LEU 123 -9.629 8.880 18.022 1.00 0.00 PRO +ATOM 1751 HD22 LEU 123 -9.594 7.122 17.636 1.00 0.00 PRO +ATOM 1752 HD23 LEU 123 -11.108 7.871 18.266 1.00 0.00 PRO +ATOM 1753 C LEU 123 -10.595 10.548 14.050 1.00 0.00 PRO +ATOM 1754 O LEU 123 -10.057 11.573 14.523 1.00 0.00 PRO +ATOM 1755 N GLY 124 -11.881 10.564 13.675 1.00 0.00 PRO +ATOM 1756 HN GLY 124 -12.297 9.743 13.254 1.00 0.00 PRO +ATOM 1757 CA GLY 124 -12.742 11.742 13.730 1.00 0.00 PRO +ATOM 1758 HA1 GLY 124 -12.454 12.359 14.571 1.00 0.00 PRO +ATOM 1759 HA2 GLY 124 -13.761 11.397 13.783 1.00 0.00 PRO +ATOM 1760 C GLY 124 -12.629 12.583 12.492 1.00 0.00 PRO +ATOM 1761 O GLY 124 -13.092 13.731 12.454 1.00 0.00 PRO +ATOM 1762 N ASN 125 -12.029 12.037 11.434 1.00 0.00 PRO +ATOM 1763 HN ASN 125 -11.725 11.081 11.466 1.00 0.00 PRO +ATOM 1764 CA ASN 125 -11.717 12.737 10.211 1.00 0.00 PRO +ATOM 1765 HA ASN 125 -12.352 13.606 10.122 1.00 0.00 PRO +ATOM 1766 CB ASN 125 -10.221 13.151 10.125 1.00 0.00 PRO +ATOM 1767 HB1 ASN 125 -10.014 13.663 9.163 1.00 0.00 PRO +ATOM 1768 HB2 ASN 125 -9.570 12.256 10.189 1.00 0.00 PRO +ATOM 1769 CG ASN 125 -9.863 14.150 11.221 1.00 0.00 PRO +ATOM 1770 OD1 ASN 125 -10.172 15.332 11.132 1.00 0.00 PRO +ATOM 1771 ND2 ASN 125 -9.086 13.696 12.242 1.00 0.00 PRO +ATOM 1772 HD21 ASN 125 -8.728 12.760 12.220 1.00 0.00 PRO +ATOM 1773 HD22 ASN 125 -8.929 14.284 13.015 1.00 0.00 PRO +ATOM 1774 C ASN 125 -12.077 11.830 9.044 1.00 0.00 PRO +ATOM 1775 O ASN 125 -12.383 10.664 9.187 1.00 0.00 PRO +ATOM 1776 N GLU 126 -12.079 12.419 7.831 1.00 0.00 PRO +ATOM 1777 HN GLU 126 -11.849 13.384 7.721 1.00 0.00 PRO +ATOM 1778 CA GLU 126 -12.363 11.693 6.620 1.00 0.00 PRO +ATOM 1779 HA GLU 126 -12.281 10.627 6.797 1.00 0.00 PRO +ATOM 1780 CB GLU 126 -13.779 12.035 6.070 1.00 0.00 PRO +ATOM 1781 HB1 GLU 126 -14.498 11.912 6.908 1.00 0.00 PRO +ATOM 1782 HB2 GLU 126 -14.050 11.292 5.288 1.00 0.00 PRO +ATOM 1783 CG GLU 126 -13.913 13.457 5.460 1.00 0.00 PRO +ATOM 1784 HG1 GLU 126 -13.316 13.518 4.527 1.00 0.00 PRO +ATOM 1785 HG2 GLU 126 -13.518 14.204 6.180 1.00 0.00 PRO +ATOM 1786 CD GLU 126 -15.344 13.876 5.126 1.00 0.00 PRO +ATOM 1787 OE1 GLU 126 -16.317 13.183 5.442 1.00 0.00 PRO +ATOM 1788 OE2 GLU 126 -15.461 15.019 4.546 1.00 0.00 PRO +ATOM 1789 C GLU 126 -11.303 12.043 5.607 1.00 0.00 PRO +ATOM 1790 O GLU 126 -10.606 13.076 5.706 1.00 0.00 PRO +ATOM 1791 N PHE 127 -11.125 11.172 4.618 1.00 0.00 PRO +ATOM 1792 HN PHE 127 -11.729 10.365 4.567 1.00 0.00 PRO +ATOM 1793 CA PHE 127 -10.126 11.284 3.586 1.00 0.00 PRO +ATOM 1794 HA PHE 127 -9.708 12.281 3.584 1.00 0.00 PRO +ATOM 1795 CB PHE 127 -9.009 10.231 3.815 1.00 0.00 PRO +ATOM 1796 HB1 PHE 127 -9.414 9.200 3.725 1.00 0.00 PRO +ATOM 1797 HB2 PHE 127 -8.607 10.345 4.845 1.00 0.00 PRO +ATOM 1798 CG PHE 127 -7.870 10.401 2.844 1.00 0.00 PRO +ATOM 1799 CD1 PHE 127 -6.796 11.252 3.154 1.00 0.00 PRO +ATOM 1800 HD1 PHE 127 -6.797 11.795 4.085 1.00 0.00 PRO +ATOM 1801 CE1 PHE 127 -5.705 11.370 2.283 1.00 0.00 PRO +ATOM 1802 HE1 PHE 127 -4.871 12.008 2.541 1.00 0.00 PRO +ATOM 1803 CZ PHE 127 -5.686 10.643 1.086 1.00 0.00 PRO +ATOM 1804 HZ PHE 127 -4.842 10.720 0.415 1.00 0.00 PRO +ATOM 1805 CD2 PHE 127 -7.836 9.672 1.644 1.00 0.00 PRO +ATOM 1806 HD2 PHE 127 -8.646 9.000 1.401 1.00 0.00 PRO +ATOM 1807 CE2 PHE 127 -6.759 9.806 0.761 1.00 0.00 PRO +ATOM 1808 HE2 PHE 127 -6.741 9.241 -0.160 1.00 0.00 PRO +ATOM 1809 C PHE 127 -10.849 11.071 2.264 1.00 0.00 PRO +ATOM 1810 O PHE 127 -11.582 10.120 2.084 1.00 0.00 PRO +ATOM 1811 N SER 128 -10.651 12.026 1.329 1.00 0.00 PRO +ATOM 1812 HN SER 128 -10.021 12.780 1.512 1.00 0.00 PRO +ATOM 1813 CA SER 128 -11.261 12.025 0.015 1.00 0.00 PRO +ATOM 1814 HA SER 128 -11.805 11.108 -0.149 1.00 0.00 PRO +ATOM 1815 CB SER 128 -12.215 13.244 -0.170 1.00 0.00 PRO +ATOM 1816 HB1 SER 128 -11.669 14.168 0.112 1.00 0.00 PRO +ATOM 1817 HB2 SER 128 -13.057 13.124 0.549 1.00 0.00 PRO +ATOM 1818 OG SER 128 -12.755 13.391 -1.492 1.00 0.00 PRO +ATOM 1819 HG1 SER 128 -12.011 13.443 -2.106 1.00 0.00 PRO +ATOM 1820 C SER 128 -10.161 12.097 -1.011 1.00 0.00 PRO +ATOM 1821 O SER 128 -9.167 12.810 -0.820 1.00 0.00 PRO +ATOM 1822 N PHE 129 -10.306 11.383 -2.130 1.00 0.00 PRO +ATOM 1823 HN PHE 129 -11.077 10.749 -2.257 1.00 0.00 PRO +ATOM 1824 CA PHE 129 -9.374 11.467 -3.232 1.00 0.00 PRO +ATOM 1825 HA PHE 129 -9.092 12.500 -3.365 1.00 0.00 PRO +ATOM 1826 CB PHE 129 -8.080 10.610 -3.023 1.00 0.00 PRO +ATOM 1827 HB1 PHE 129 -7.591 10.913 -2.072 1.00 0.00 PRO +ATOM 1828 HB2 PHE 129 -7.365 10.807 -3.851 1.00 0.00 PRO +ATOM 1829 CG PHE 129 -8.345 9.123 -2.952 1.00 0.00 PRO +ATOM 1830 CD1 PHE 129 -8.955 8.557 -1.820 1.00 0.00 PRO +ATOM 1831 HD1 PHE 129 -9.228 9.186 -0.988 1.00 0.00 PRO +ATOM 1832 CE1 PHE 129 -9.259 7.194 -1.777 1.00 0.00 PRO +ATOM 1833 HE1 PHE 129 -9.780 6.781 -0.927 1.00 0.00 PRO +ATOM 1834 CZ PHE 129 -8.929 6.373 -2.860 1.00 0.00 PRO +ATOM 1835 HZ PHE 129 -9.205 5.330 -2.854 1.00 0.00 PRO +ATOM 1836 CD2 PHE 129 -7.980 8.277 -4.016 1.00 0.00 PRO +ATOM 1837 HD2 PHE 129 -7.495 8.692 -4.887 1.00 0.00 PRO +ATOM 1838 CE2 PHE 129 -8.269 6.907 -3.970 1.00 0.00 PRO +ATOM 1839 HE2 PHE 129 -8.003 6.255 -4.790 1.00 0.00 PRO +ATOM 1840 C PHE 129 -10.135 11.059 -4.484 1.00 0.00 PRO +ATOM 1841 O PHE 129 -11.118 10.340 -4.426 1.00 0.00 PRO +ATOM 1842 N ASP 130 -9.671 11.559 -5.651 1.00 0.00 PRO +ATOM 1843 HN ASP 130 -8.869 12.151 -5.670 1.00 0.00 PRO +ATOM 1844 CA ASP 130 -10.128 11.106 -6.941 1.00 0.00 PRO +ATOM 1845 HA ASP 130 -11.089 10.624 -6.845 1.00 0.00 PRO +ATOM 1846 CB ASP 130 -10.200 12.240 -8.015 1.00 0.00 PRO +ATOM 1847 HB1 ASP 130 -10.502 11.779 -8.975 1.00 0.00 PRO +ATOM 1848 HB2 ASP 130 -9.193 12.694 -8.119 1.00 0.00 PRO +ATOM 1849 CG ASP 130 -11.189 13.373 -7.778 1.00 0.00 PRO +ATOM 1850 OD1 ASP 130 -12.003 13.368 -6.852 1.00 0.00 PRO +ATOM 1851 OD2 ASP 130 -11.151 14.304 -8.667 1.00 0.00 PRO +ATOM 1852 C ASP 130 -9.128 10.063 -7.440 1.00 0.00 PRO +ATOM 1853 O ASP 130 -7.922 10.142 -7.167 1.00 0.00 PRO +ATOM 1854 N VAL 131 -9.586 9.066 -8.206 1.00 0.00 PRO +ATOM 1855 HN VAL 131 -10.570 8.969 -8.394 1.00 0.00 PRO +ATOM 1856 CA VAL 131 -8.718 8.024 -8.719 1.00 0.00 PRO +ATOM 1857 HA VAL 131 -7.734 8.440 -8.881 1.00 0.00 PRO +ATOM 1858 CB VAL 131 -8.574 6.864 -7.733 1.00 0.00 PRO +ATOM 1859 HB VAL 131 -8.260 7.312 -6.762 1.00 0.00 PRO +ATOM 1860 CG1 VAL 131 -9.915 6.138 -7.496 1.00 0.00 PRO +ATOM 1861 HG11 VAL 131 -10.261 5.613 -8.410 1.00 0.00 PRO +ATOM 1862 HG12 VAL 131 -10.705 6.849 -7.175 1.00 0.00 PRO +ATOM 1863 HG13 VAL 131 -9.797 5.380 -6.691 1.00 0.00 PRO +ATOM 1864 CG2 VAL 131 -7.457 5.890 -8.164 1.00 0.00 PRO +ATOM 1865 HG21 VAL 131 -6.495 6.427 -8.299 1.00 0.00 PRO +ATOM 1866 HG22 VAL 131 -7.708 5.373 -9.110 1.00 0.00 PRO +ATOM 1867 HG23 VAL 131 -7.311 5.115 -7.381 1.00 0.00 PRO +ATOM 1868 C VAL 131 -9.218 7.578 -10.080 1.00 0.00 PRO +ATOM 1869 O VAL 131 -10.414 7.566 -10.360 1.00 0.00 PRO +ATOM 1870 N ASP 132 -8.276 7.256 -10.989 1.00 0.00 PRO +ATOM 1871 HN ASP 132 -7.310 7.316 -10.731 1.00 0.00 PRO +ATOM 1872 CA ASP 132 -8.541 6.697 -12.298 1.00 0.00 PRO +ATOM 1873 HA ASP 132 -9.604 6.547 -12.436 1.00 0.00 PRO +ATOM 1874 CB ASP 132 -7.980 7.623 -13.421 1.00 0.00 PRO +ATOM 1875 HB1 ASP 132 -6.892 7.748 -13.251 1.00 0.00 PRO +ATOM 1876 HB2 ASP 132 -8.455 8.620 -13.347 1.00 0.00 PRO +ATOM 1877 CG ASP 132 -8.162 7.100 -14.846 1.00 0.00 PRO +ATOM 1878 OD1 ASP 132 -9.012 6.228 -15.111 1.00 0.00 PRO +ATOM 1879 OD2 ASP 132 -7.443 7.649 -15.741 1.00 0.00 PRO +ATOM 1880 C ASP 132 -7.860 5.338 -12.302 1.00 0.00 PRO +ATOM 1881 O ASP 132 -6.644 5.233 -12.126 1.00 0.00 PRO +ATOM 1882 N VAL 133 -8.656 4.268 -12.461 1.00 0.00 PRO +ATOM 1883 HN VAL 133 -9.635 4.394 -12.583 1.00 0.00 PRO +ATOM 1884 CA VAL 133 -8.194 2.890 -12.400 1.00 0.00 PRO +ATOM 1885 HA VAL 133 -7.132 2.857 -12.200 1.00 0.00 PRO +ATOM 1886 CB VAL 133 -8.921 2.100 -11.312 1.00 0.00 PRO +ATOM 1887 HB VAL 133 -8.589 1.034 -11.337 1.00 0.00 PRO +ATOM 1888 CG1 VAL 133 -8.539 2.655 -9.924 1.00 0.00 PRO +ATOM 1889 HG11 VAL 133 -8.933 3.683 -9.788 1.00 0.00 PRO +ATOM 1890 HG12 VAL 133 -7.436 2.670 -9.796 1.00 0.00 PRO +ATOM 1891 HG13 VAL 133 -8.974 2.011 -9.128 1.00 0.00 PRO +ATOM 1892 CG2 VAL 133 -10.448 2.145 -11.526 1.00 0.00 PRO +ATOM 1893 HG21 VAL 133 -10.724 1.752 -12.524 1.00 0.00 PRO +ATOM 1894 HG22 VAL 133 -10.849 3.173 -11.413 1.00 0.00 PRO +ATOM 1895 HG23 VAL 133 -10.943 1.508 -10.766 1.00 0.00 PRO +ATOM 1896 C VAL 133 -8.407 2.227 -13.746 1.00 0.00 PRO +ATOM 1897 O VAL 133 -8.275 1.009 -13.902 1.00 0.00 PRO +ATOM 1898 N SER 134 -8.732 3.015 -14.789 1.00 0.00 PRO +ATOM 1899 HN SER 134 -8.792 4.009 -14.657 1.00 0.00 PRO +ATOM 1900 CA SER 134 -9.159 2.506 -16.089 1.00 0.00 PRO +ATOM 1901 HA SER 134 -9.975 1.820 -15.904 1.00 0.00 PRO +ATOM 1902 CB SER 134 -9.683 3.628 -17.033 1.00 0.00 PRO +ATOM 1903 HB1 SER 134 -10.541 4.121 -16.522 1.00 0.00 PRO +ATOM 1904 HB2 SER 134 -10.064 3.167 -17.971 1.00 0.00 PRO +ATOM 1905 OG SER 134 -8.706 4.634 -17.343 1.00 0.00 PRO +ATOM 1906 HG1 SER 134 -8.660 5.223 -16.549 1.00 0.00 PRO +ATOM 1907 C SER 134 -8.113 1.705 -16.833 1.00 0.00 PRO +ATOM 1908 O SER 134 -8.438 0.814 -17.627 1.00 0.00 PRO +ATOM 1909 N GLN 135 -6.828 1.999 -16.588 1.00 0.00 PRO +ATOM 1910 HN GLN 135 -6.617 2.707 -15.916 1.00 0.00 PRO +ATOM 1911 CA GLN 135 -5.704 1.370 -17.244 1.00 0.00 PRO +ATOM 1912 HA GLN 135 -6.026 0.934 -18.181 1.00 0.00 PRO +ATOM 1913 CB GLN 135 -4.593 2.419 -17.520 1.00 0.00 PRO +ATOM 1914 HB1 GLN 135 -3.759 1.923 -18.069 1.00 0.00 PRO +ATOM 1915 HB2 GLN 135 -4.187 2.791 -16.555 1.00 0.00 PRO +ATOM 1916 CG GLN 135 -5.043 3.645 -18.353 1.00 0.00 PRO +ATOM 1917 HG1 GLN 135 -4.156 4.261 -18.611 1.00 0.00 PRO +ATOM 1918 HG2 GLN 135 -5.725 4.273 -17.742 1.00 0.00 PRO +ATOM 1919 CD GLN 135 -5.729 3.245 -19.665 1.00 0.00 PRO +ATOM 1920 OE1 GLN 135 -5.132 2.657 -20.566 1.00 0.00 PRO +ATOM 1921 NE2 GLN 135 -7.028 3.596 -19.790 1.00 0.00 PRO +ATOM 1922 HE21 GLN 135 -7.499 3.990 -19.009 1.00 0.00 PRO +ATOM 1923 HE22 GLN 135 -7.483 3.290 -20.635 1.00 0.00 PRO +ATOM 1924 C GLN 135 -5.135 0.232 -16.409 1.00 0.00 PRO +ATOM 1925 O GLN 135 -4.058 -0.273 -16.710 1.00 0.00 PRO +ATOM 1926 N LEU 136 -5.849 -0.218 -15.358 1.00 0.00 PRO +ATOM 1927 HN LEU 136 -6.719 0.205 -15.105 1.00 0.00 PRO +ATOM 1928 CA LEU 136 -5.439 -1.338 -14.535 1.00 0.00 PRO +ATOM 1929 HA LEU 136 -4.401 -1.573 -14.709 1.00 0.00 PRO +ATOM 1930 CB LEU 136 -5.585 -1.024 -13.024 1.00 0.00 PRO +ATOM 1931 HB1 LEU 136 -5.254 -1.908 -12.432 1.00 0.00 PRO +ATOM 1932 HB2 LEU 136 -6.656 -0.833 -12.791 1.00 0.00 PRO +ATOM 1933 CG LEU 136 -4.787 0.196 -12.518 1.00 0.00 PRO +ATOM 1934 HG LEU 136 -5.104 1.101 -13.087 1.00 0.00 PRO +ATOM 1935 CD1 LEU 136 -5.112 0.436 -11.035 1.00 0.00 PRO +ATOM 1936 HD11 LEU 136 -4.814 -0.445 -10.427 1.00 0.00 PRO +ATOM 1937 HD12 LEU 136 -6.199 0.603 -10.891 1.00 0.00 PRO +ATOM 1938 HD13 LEU 136 -4.571 1.322 -10.648 1.00 0.00 PRO +ATOM 1939 CD2 LEU 136 -3.275 0.013 -12.715 1.00 0.00 PRO +ATOM 1940 HD21 LEU 136 -3.019 -0.056 -13.792 1.00 0.00 PRO +ATOM 1941 HD22 LEU 136 -2.927 -0.909 -12.203 1.00 0.00 PRO +ATOM 1942 HD23 LEU 136 -2.725 0.877 -12.286 1.00 0.00 PRO +ATOM 1943 C LEU 136 -6.314 -2.554 -14.852 1.00 0.00 PRO +ATOM 1944 O LEU 136 -7.498 -2.566 -14.500 1.00 0.00 PRO +ATOM 1945 N PRO 137 -5.819 -3.604 -15.497 1.00 0.00 PRO +ATOM 1946 CD PRO 137 -4.559 -3.614 -16.250 1.00 0.00 PRO +ATOM 1947 HD1 PRO 137 -3.690 -3.449 -15.578 1.00 0.00 PRO +ATOM 1948 HD2 PRO 137 -4.589 -2.828 -17.039 1.00 0.00 PRO +ATOM 1949 CA PRO 137 -6.600 -4.818 -15.706 1.00 0.00 PRO +ATOM 1950 HA PRO 137 -7.656 -4.610 -15.789 1.00 0.00 PRO +ATOM 1951 CB PRO 137 -5.972 -5.374 -16.997 1.00 0.00 PRO +ATOM 1952 HB1 PRO 137 -6.404 -4.836 -17.870 1.00 0.00 PRO +ATOM 1953 HB2 PRO 137 -6.117 -6.460 -17.157 1.00 0.00 PRO +ATOM 1954 CG PRO 137 -4.493 -5.000 -16.886 1.00 0.00 PRO +ATOM 1955 HG1 PRO 137 -3.973 -5.702 -16.196 1.00 0.00 PRO +ATOM 1956 HG2 PRO 137 -3.973 -4.996 -17.867 1.00 0.00 PRO +ATOM 1957 C PRO 137 -6.376 -5.756 -14.527 1.00 0.00 PRO +ATOM 1958 O PRO 137 -5.866 -5.345 -13.504 1.00 0.00 PRO +ATOM 1959 N CYS 138 -6.762 -7.046 -14.697 1.00 0.00 PRO +ATOM 1960 HN CYS 138 -7.170 -7.343 -15.542 1.00 0.00 PRO +ATOM 1961 CA CYS 138 -6.530 -8.106 -13.731 1.00 0.00 PRO +ATOM 1962 HA CYS 138 -7.039 -7.848 -12.811 1.00 0.00 PRO +ATOM 1963 CB CYS 138 -7.050 -9.469 -14.271 1.00 0.00 PRO +ATOM 1964 HB1 CYS 138 -6.866 -10.256 -13.502 1.00 0.00 PRO +ATOM 1965 HB2 CYS 138 -6.463 -9.737 -15.176 1.00 0.00 PRO +ATOM 1966 SG CYS 138 -8.814 -9.471 -14.714 1.00 0.00 PRO +ATOM 1967 C CYS 138 -5.060 -8.316 -13.409 1.00 0.00 PRO +ATOM 1968 O CYS 138 -4.209 -8.308 -14.311 1.00 0.00 PRO +ATOM 1969 N GLY 139 -4.738 -8.538 -12.124 1.00 0.00 PRO +ATOM 1970 HN GLY 139 -5.488 -8.598 -11.439 1.00 0.00 PRO +ATOM 1971 CA GLY 139 -3.387 -8.852 -11.670 1.00 0.00 PRO +ATOM 1972 HA1 GLY 139 -2.811 -9.244 -12.492 1.00 0.00 PRO +ATOM 1973 HA2 GLY 139 -3.466 -9.558 -10.859 1.00 0.00 PRO +ATOM 1974 C GLY 139 -2.601 -7.674 -11.166 1.00 0.00 PRO +ATOM 1975 O GLY 139 -1.501 -7.820 -10.667 1.00 0.00 PRO +ATOM 1976 N LEU 140 -3.173 -6.463 -11.304 1.00 0.00 PRO +ATOM 1977 HN LEU 140 -4.078 -6.397 -11.703 1.00 0.00 PRO +ATOM 1978 CA LEU 140 -2.547 -5.228 -10.882 1.00 0.00 PRO +ATOM 1979 HA LEU 140 -1.547 -5.416 -10.511 1.00 0.00 PRO +ATOM 1980 CB LEU 140 -2.475 -4.156 -12.007 1.00 0.00 PRO +ATOM 1981 HB1 LEU 140 -2.314 -3.152 -11.548 1.00 0.00 PRO +ATOM 1982 HB2 LEU 140 -3.442 -4.125 -12.553 1.00 0.00 PRO +ATOM 1983 CG LEU 140 -1.310 -4.332 -13.006 1.00 0.00 PRO +ATOM 1984 HG LEU 140 -0.371 -4.478 -12.414 1.00 0.00 PRO +ATOM 1985 CD1 LEU 140 -1.464 -5.546 -13.934 1.00 0.00 PRO +ATOM 1986 HD11 LEU 140 -2.428 -5.506 -14.479 1.00 0.00 PRO +ATOM 1987 HD12 LEU 140 -1.424 -6.488 -13.350 1.00 0.00 PRO +ATOM 1988 HD13 LEU 140 -0.628 -5.572 -14.665 1.00 0.00 PRO +ATOM 1989 CD2 LEU 140 -1.134 -3.049 -13.832 1.00 0.00 PRO +ATOM 1990 HD21 LEU 140 -0.849 -2.201 -13.175 1.00 0.00 PRO +ATOM 1991 HD22 LEU 140 -2.072 -2.790 -14.358 1.00 0.00 PRO +ATOM 1992 HD23 LEU 140 -0.331 -3.192 -14.584 1.00 0.00 PRO +ATOM 1993 C LEU 140 -3.330 -4.659 -9.729 1.00 0.00 PRO +ATOM 1994 O LEU 140 -4.516 -4.953 -9.549 1.00 0.00 PRO +ATOM 1995 N ASN 141 -2.678 -3.832 -8.909 1.00 0.00 PRO +ATOM 1996 HN ASN 141 -1.694 -3.664 -9.026 1.00 0.00 PRO +ATOM 1997 CA ASN 141 -3.311 -3.162 -7.805 1.00 0.00 PRO +ATOM 1998 HA ASN 141 -4.365 -3.021 -8.009 1.00 0.00 PRO +ATOM 1999 CB ASN 141 -3.150 -4.030 -6.527 1.00 0.00 PRO +ATOM 2000 HB1 ASN 141 -2.072 -4.235 -6.353 1.00 0.00 PRO +ATOM 2001 HB2 ASN 141 -3.670 -4.992 -6.725 1.00 0.00 PRO +ATOM 2002 CG ASN 141 -3.756 -3.436 -5.260 1.00 0.00 PRO +ATOM 2003 OD1 ASN 141 -4.362 -2.364 -5.255 1.00 0.00 PRO +ATOM 2004 ND2 ASN 141 -3.605 -4.183 -4.145 1.00 0.00 PRO +ATOM 2005 HD21 ASN 141 -3.946 -3.812 -3.278 1.00 0.00 PRO +ATOM 2006 HD22 ASN 141 -3.099 -5.037 -4.185 1.00 0.00 PRO +ATOM 2007 C ASN 141 -2.684 -1.783 -7.709 1.00 0.00 PRO +ATOM 2008 O ASN 141 -1.487 -1.627 -7.516 1.00 0.00 PRO +ATOM 2009 N GLY 142 -3.521 -0.737 -7.886 1.00 0.00 PRO +ATOM 2010 HN GLY 142 -4.491 -0.910 -8.063 1.00 0.00 PRO +ATOM 2011 CA GLY 142 -3.156 0.627 -7.549 1.00 0.00 PRO +ATOM 2012 HA1 GLY 142 -3.628 1.283 -8.260 1.00 0.00 PRO +ATOM 2013 HA2 GLY 142 -2.083 0.747 -7.489 1.00 0.00 PRO +ATOM 2014 C GLY 142 -3.748 0.914 -6.207 1.00 0.00 PRO +ATOM 2015 O GLY 142 -4.965 1.020 -6.071 1.00 0.00 PRO +ATOM 2016 N ALA 143 -2.894 1.060 -5.186 1.00 0.00 PRO +ATOM 2017 HN ALA 143 -1.907 1.052 -5.327 1.00 0.00 PRO +ATOM 2018 CA ALA 143 -3.327 1.131 -3.814 1.00 0.00 PRO +ATOM 2019 HA ALA 143 -4.397 0.984 -3.758 1.00 0.00 PRO +ATOM 2020 CB ALA 143 -2.660 0.035 -2.963 1.00 0.00 PRO +ATOM 2021 HB1 ALA 143 -1.557 0.148 -2.949 1.00 0.00 PRO +ATOM 2022 HB2 ALA 143 -2.901 -0.967 -3.379 1.00 0.00 PRO +ATOM 2023 HB3 ALA 143 -3.032 0.057 -1.914 1.00 0.00 PRO +ATOM 2024 C ALA 143 -3.028 2.494 -3.230 1.00 0.00 PRO +ATOM 2025 O ALA 143 -2.075 3.186 -3.602 1.00 0.00 PRO +ATOM 2026 N LEU 144 -3.885 2.920 -2.295 1.00 0.00 PRO +ATOM 2027 HN LEU 144 -4.616 2.297 -1.992 1.00 0.00 PRO +ATOM 2028 CA LEU 144 -3.690 4.114 -1.510 1.00 0.00 PRO +ATOM 2029 HA LEU 144 -2.645 4.394 -1.526 1.00 0.00 PRO +ATOM 2030 CB LEU 144 -4.569 5.296 -1.999 1.00 0.00 PRO +ATOM 2031 HB1 LEU 144 -5.641 5.012 -1.995 1.00 0.00 PRO +ATOM 2032 HB2 LEU 144 -4.275 5.467 -3.060 1.00 0.00 PRO +ATOM 2033 CG LEU 144 -4.385 6.626 -1.230 1.00 0.00 PRO +ATOM 2034 HG LEU 144 -3.312 6.687 -0.928 1.00 0.00 PRO +ATOM 2035 CD1 LEU 144 -4.688 7.823 -2.147 1.00 0.00 PRO +ATOM 2036 HD11 LEU 144 -5.754 7.793 -2.456 1.00 0.00 PRO +ATOM 2037 HD12 LEU 144 -4.056 7.785 -3.059 1.00 0.00 PRO +ATOM 2038 HD13 LEU 144 -4.495 8.777 -1.615 1.00 0.00 PRO +ATOM 2039 CD2 LEU 144 -5.262 6.728 0.030 1.00 0.00 PRO +ATOM 2040 HD21 LEU 144 -5.036 5.925 0.759 1.00 0.00 PRO +ATOM 2041 HD22 LEU 144 -6.337 6.660 -0.240 1.00 0.00 PRO +ATOM 2042 HD23 LEU 144 -5.080 7.691 0.547 1.00 0.00 PRO +ATOM 2043 C LEU 144 -4.034 3.714 -0.101 1.00 0.00 PRO +ATOM 2044 O LEU 144 -5.106 3.179 0.162 1.00 0.00 PRO +ATOM 2045 N TYR 145 -3.119 3.945 0.849 1.00 0.00 PRO +ATOM 2046 HN TYR 145 -2.251 4.409 0.662 1.00 0.00 PRO +ATOM 2047 CA TYR 145 -3.261 3.345 2.153 1.00 0.00 PRO +ATOM 2048 HA TYR 145 -4.285 3.462 2.475 1.00 0.00 PRO +ATOM 2049 CB TYR 145 -2.928 1.824 2.145 1.00 0.00 PRO +ATOM 2050 HB1 TYR 145 -3.597 1.314 1.419 1.00 0.00 PRO +ATOM 2051 HB2 TYR 145 -3.124 1.355 3.131 1.00 0.00 PRO +ATOM 2052 CG TYR 145 -1.521 1.486 1.741 1.00 0.00 PRO +ATOM 2053 CD1 TYR 145 -1.115 1.540 0.396 1.00 0.00 PRO +ATOM 2054 HD1 TYR 145 -1.818 1.853 -0.359 1.00 0.00 PRO +ATOM 2055 CE1 TYR 145 0.174 1.142 0.024 1.00 0.00 PRO +ATOM 2056 HE1 TYR 145 0.470 1.186 -1.011 1.00 0.00 PRO +ATOM 2057 CZ TYR 145 1.049 0.633 0.992 1.00 0.00 PRO +ATOM 2058 OH TYR 145 2.323 0.163 0.633 1.00 0.00 PRO +ATOM 2059 HH TYR 145 2.642 -0.346 1.405 1.00 0.00 PRO +ATOM 2060 CD2 TYR 145 -0.630 0.976 2.697 1.00 0.00 PRO +ATOM 2061 HD2 TYR 145 -0.956 0.843 3.719 1.00 0.00 PRO +ATOM 2062 CE2 TYR 145 0.649 0.549 2.326 1.00 0.00 PRO +ATOM 2063 HE2 TYR 145 1.296 0.115 3.076 1.00 0.00 PRO +ATOM 2064 C TYR 145 -2.430 4.130 3.144 1.00 0.00 PRO +ATOM 2065 O TYR 145 -1.686 5.036 2.794 1.00 0.00 PRO +ATOM 2066 N PHE 146 -2.609 3.826 4.438 1.00 0.00 PRO +ATOM 2067 HN PHE 146 -3.221 3.070 4.681 1.00 0.00 PRO +ATOM 2068 CA PHE 146 -1.867 4.442 5.514 1.00 0.00 PRO +ATOM 2069 HA PHE 146 -1.066 5.046 5.112 1.00 0.00 PRO +ATOM 2070 CB PHE 146 -2.759 5.281 6.463 1.00 0.00 PRO +ATOM 2071 HB1 PHE 146 -2.176 5.619 7.340 1.00 0.00 PRO +ATOM 2072 HB2 PHE 146 -3.607 4.674 6.834 1.00 0.00 PRO +ATOM 2073 CG PHE 146 -3.301 6.504 5.793 1.00 0.00 PRO +ATOM 2074 CD1 PHE 146 -2.610 7.718 5.911 1.00 0.00 PRO +ATOM 2075 HD1 PHE 146 -1.668 7.746 6.439 1.00 0.00 PRO +ATOM 2076 CE1 PHE 146 -3.131 8.886 5.349 1.00 0.00 PRO +ATOM 2077 HE1 PHE 146 -2.579 9.805 5.424 1.00 0.00 PRO +ATOM 2078 CZ PHE 146 -4.355 8.856 4.678 1.00 0.00 PRO +ATOM 2079 HZ PHE 146 -4.745 9.759 4.241 1.00 0.00 PRO +ATOM 2080 CD2 PHE 146 -4.537 6.483 5.125 1.00 0.00 PRO +ATOM 2081 HD2 PHE 146 -5.075 5.550 5.050 1.00 0.00 PRO +ATOM 2082 CE2 PHE 146 -5.063 7.654 4.564 1.00 0.00 PRO +ATOM 2083 HE2 PHE 146 -6.008 7.635 4.045 1.00 0.00 PRO +ATOM 2084 C PHE 146 -1.230 3.359 6.353 1.00 0.00 PRO +ATOM 2085 O PHE 146 -1.794 2.292 6.531 1.00 0.00 PRO +ATOM 2086 N VAL 147 -0.052 3.652 6.932 1.00 0.00 PRO +ATOM 2087 HN VAL 147 0.401 4.523 6.761 1.00 0.00 PRO +ATOM 2088 CA VAL 147 0.663 2.716 7.786 1.00 0.00 PRO +ATOM 2089 HA VAL 147 -0.033 2.014 8.222 1.00 0.00 PRO +ATOM 2090 CB VAL 147 1.763 1.929 7.073 1.00 0.00 PRO +ATOM 2091 HB VAL 147 2.384 1.371 7.814 1.00 0.00 PRO +ATOM 2092 CG1 VAL 147 1.139 0.871 6.147 1.00 0.00 PRO +ATOM 2093 HG11 VAL 147 0.556 1.342 5.331 1.00 0.00 PRO +ATOM 2094 HG12 VAL 147 0.463 0.196 6.710 1.00 0.00 PRO +ATOM 2095 HG13 VAL 147 1.928 0.240 5.682 1.00 0.00 PRO +ATOM 2096 CG2 VAL 147 2.672 2.874 6.273 1.00 0.00 PRO +ATOM 2097 HG21 VAL 147 3.136 3.642 6.921 1.00 0.00 PRO +ATOM 2098 HG22 VAL 147 2.094 3.391 5.484 1.00 0.00 PRO +ATOM 2099 HG23 VAL 147 3.477 2.286 5.781 1.00 0.00 PRO +ATOM 2100 C VAL 147 1.267 3.501 8.931 1.00 0.00 PRO +ATOM 2101 O VAL 147 1.620 4.674 8.802 1.00 0.00 PRO +ATOM 2102 N SER 148 1.375 2.888 10.125 1.00 0.00 PRO +ATOM 2103 HN SER 148 1.046 1.944 10.223 1.00 0.00 PRO +ATOM 2104 CA SER 148 1.961 3.538 11.293 1.00 0.00 PRO +ATOM 2105 HA SER 148 1.678 4.582 11.279 1.00 0.00 PRO +ATOM 2106 CB SER 148 1.461 2.955 12.642 1.00 0.00 PRO +ATOM 2107 HB1 SER 148 2.021 3.401 13.494 1.00 0.00 PRO +ATOM 2108 HB2 SER 148 1.629 1.855 12.643 1.00 0.00 PRO +ATOM 2109 OG SER 148 0.071 3.217 12.852 1.00 0.00 PRO +ATOM 2110 HG1 SER 148 -0.043 4.174 12.792 1.00 0.00 PRO +ATOM 2111 C SER 148 3.485 3.524 11.298 1.00 0.00 PRO +ATOM 2112 O SER 148 4.120 2.887 12.136 1.00 0.00 PRO +ATOM 2113 N MET 149 4.096 4.274 10.358 1.00 0.00 PRO +ATOM 2114 HN MET 149 3.536 4.782 9.708 1.00 0.00 PRO +ATOM 2115 CA MET 149 5.527 4.491 10.278 1.00 0.00 PRO +ATOM 2116 HA MET 149 6.029 3.586 10.590 1.00 0.00 PRO +ATOM 2117 CB MET 149 5.984 4.829 8.830 1.00 0.00 PRO +ATOM 2118 HB1 MET 149 7.049 5.154 8.829 1.00 0.00 PRO +ATOM 2119 HB2 MET 149 5.374 5.681 8.459 1.00 0.00 PRO +ATOM 2120 CG MET 149 5.876 3.648 7.845 1.00 0.00 PRO +ATOM 2121 HG1 MET 149 4.922 3.111 8.040 1.00 0.00 PRO +ATOM 2122 HG2 MET 149 6.687 2.920 8.066 1.00 0.00 PRO +ATOM 2123 SD MET 149 5.926 4.134 6.085 1.00 0.00 PRO +ATOM 2124 CE MET 149 7.574 4.883 6.032 1.00 0.00 PRO +ATOM 2125 HE1 MET 149 8.357 4.158 6.336 1.00 0.00 PRO +ATOM 2126 HE2 MET 149 7.626 5.755 6.714 1.00 0.00 PRO +ATOM 2127 HE3 MET 149 7.810 5.236 5.005 1.00 0.00 PRO +ATOM 2128 C MET 149 5.982 5.588 11.224 1.00 0.00 PRO +ATOM 2129 O MET 149 5.184 6.346 11.771 1.00 0.00 PRO +ATOM 2130 N ASP 150 7.303 5.699 11.447 1.00 0.00 PRO +ATOM 2131 HN ASP 150 7.949 5.051 11.053 1.00 0.00 PRO +ATOM 2132 CA ASP 150 7.871 6.818 12.163 1.00 0.00 PRO +ATOM 2133 HA ASP 150 7.157 7.173 12.898 1.00 0.00 PRO +ATOM 2134 CB ASP 150 9.195 6.408 12.874 1.00 0.00 PRO +ATOM 2135 HB1 ASP 150 9.600 7.282 13.425 1.00 0.00 PRO +ATOM 2136 HB2 ASP 150 9.941 6.113 12.107 1.00 0.00 PRO +ATOM 2137 CG ASP 150 9.067 5.261 13.875 1.00 0.00 PRO +ATOM 2138 OD1 ASP 150 8.059 5.169 14.643 1.00 0.00 PRO +ATOM 2139 OD2 ASP 150 10.053 4.516 14.046 1.00 0.00 PRO +ATOM 2140 C ASP 150 8.143 7.961 11.169 1.00 0.00 PRO +ATOM 2141 O ASP 150 8.620 7.741 10.054 1.00 0.00 PRO +ATOM 2142 N ALA 151 7.877 9.227 11.562 1.00 0.00 PRO +ATOM 2143 HN ALA 151 7.427 9.364 12.434 1.00 0.00 PRO +ATOM 2144 CA ALA 151 7.936 10.408 10.702 1.00 0.00 PRO +ATOM 2145 HA ALA 151 7.212 10.258 9.912 1.00 0.00 PRO +ATOM 2146 CB ALA 151 7.553 11.675 11.499 1.00 0.00 PRO +ATOM 2147 HB1 ALA 151 8.310 11.902 12.278 1.00 0.00 PRO +ATOM 2148 HB2 ALA 151 6.566 11.524 11.984 1.00 0.00 PRO +ATOM 2149 HB3 ALA 151 7.465 12.548 10.814 1.00 0.00 PRO +ATOM 2150 C ALA 151 9.288 10.679 10.062 1.00 0.00 PRO +ATOM 2151 O ALA 151 9.388 11.235 8.958 1.00 0.00 PRO +ATOM 2152 N ASP 152 10.380 10.335 10.759 1.00 0.00 PRO +ATOM 2153 HN ASP 152 10.301 9.835 11.627 1.00 0.00 PRO +ATOM 2154 CA ASP 152 11.734 10.599 10.338 1.00 0.00 PRO +ATOM 2155 HA ASP 152 11.732 11.424 9.637 1.00 0.00 PRO +ATOM 2156 CB ASP 152 12.593 10.992 11.589 1.00 0.00 PRO +ATOM 2157 HB1 ASP 152 12.112 11.861 12.079 1.00 0.00 PRO +ATOM 2158 HB2 ASP 152 13.607 11.284 11.246 1.00 0.00 PRO +ATOM 2159 CG ASP 152 12.773 9.899 12.644 1.00 0.00 PRO +ATOM 2160 OD1 ASP 152 12.107 8.837 12.535 1.00 0.00 PRO +ATOM 2161 OD2 ASP 152 13.581 10.101 13.585 1.00 0.00 PRO +ATOM 2162 C ASP 152 12.320 9.404 9.591 1.00 0.00 PRO +ATOM 2163 O ASP 152 13.444 9.462 9.093 1.00 0.00 PRO +ATOM 2164 N GLY 153 11.556 8.298 9.463 1.00 0.00 PRO +ATOM 2165 HN GLY 153 10.623 8.293 9.837 1.00 0.00 PRO +ATOM 2166 CA GLY 153 11.996 7.075 8.809 1.00 0.00 PRO +ATOM 2167 HA1 GLY 153 12.625 7.320 7.965 1.00 0.00 PRO +ATOM 2168 HA2 GLY 153 11.113 6.523 8.520 1.00 0.00 PRO +ATOM 2169 C GLY 153 12.787 6.182 9.725 1.00 0.00 PRO +ATOM 2170 O GLY 153 13.393 5.212 9.287 1.00 0.00 PRO +ATOM 2171 N GLY 154 12.792 6.488 11.044 1.00 0.00 PRO +ATOM 2172 HN GLY 154 12.332 7.327 11.372 1.00 0.00 PRO +ATOM 2173 CA GLY 154 13.408 5.671 12.080 1.00 0.00 PRO +ATOM 2174 HA1 GLY 154 13.482 4.644 11.747 1.00 0.00 PRO +ATOM 2175 HA2 GLY 154 12.792 5.772 12.963 1.00 0.00 PRO +ATOM 2176 C GLY 154 14.798 6.112 12.466 1.00 0.00 PRO +ATOM 2177 O GLY 154 15.525 5.385 13.117 1.00 0.00 PRO +ATOM 2178 N VAL 155 15.212 7.333 12.055 1.00 0.00 PRO +ATOM 2179 HN VAL 155 14.572 7.914 11.564 1.00 0.00 PRO +ATOM 2180 CA VAL 155 16.534 7.888 12.342 1.00 0.00 PRO +ATOM 2181 HA VAL 155 17.280 7.190 11.980 1.00 0.00 PRO +ATOM 2182 CB VAL 155 16.738 9.228 11.629 1.00 0.00 PRO +ATOM 2183 HB VAL 155 15.929 9.935 11.929 1.00 0.00 PRO +ATOM 2184 CG1 VAL 155 18.111 9.860 11.958 1.00 0.00 PRO +ATOM 2185 HG11 VAL 155 18.926 9.153 11.700 1.00 0.00 PRO +ATOM 2186 HG12 VAL 155 18.212 10.120 13.031 1.00 0.00 PRO +ATOM 2187 HG13 VAL 155 18.256 10.787 11.364 1.00 0.00 PRO +ATOM 2188 CG2 VAL 155 16.649 8.990 10.111 1.00 0.00 PRO +ATOM 2189 HG21 VAL 155 15.660 8.576 9.827 1.00 0.00 PRO +ATOM 2190 HG22 VAL 155 17.437 8.278 9.785 1.00 0.00 PRO +ATOM 2191 HG23 VAL 155 16.790 9.946 9.563 1.00 0.00 PRO +ATOM 2192 C VAL 155 16.811 8.055 13.832 1.00 0.00 PRO +ATOM 2193 O VAL 155 17.863 7.715 14.339 1.00 0.00 PRO +ATOM 2194 N SER 156 15.819 8.591 14.581 1.00 0.00 PRO +ATOM 2195 HN SER 156 14.967 8.906 14.149 1.00 0.00 PRO +ATOM 2196 CA SER 156 15.924 8.760 16.025 1.00 0.00 PRO +ATOM 2197 HA SER 156 16.817 9.340 16.214 1.00 0.00 PRO +ATOM 2198 CB SER 156 14.708 9.544 16.591 1.00 0.00 PRO +ATOM 2199 HB1 SER 156 14.718 10.567 16.153 1.00 0.00 PRO +ATOM 2200 HB2 SER 156 14.792 9.649 17.696 1.00 0.00 PRO +ATOM 2201 OG SER 156 13.460 8.938 16.242 1.00 0.00 PRO +ATOM 2202 HG1 SER 156 13.286 9.172 15.307 1.00 0.00 PRO +ATOM 2203 C SER 156 16.103 7.482 16.839 1.00 0.00 PRO +ATOM 2204 O SER 156 16.914 7.417 17.752 1.00 0.00 PRO +ATOM 2205 N LYS 157 15.324 6.429 16.501 1.00 0.00 PRO +ATOM 2206 HN LYS 157 14.660 6.543 15.771 1.00 0.00 PRO +ATOM 2207 CA LYS 157 15.379 5.133 17.145 1.00 0.00 PRO +ATOM 2208 HA LYS 157 15.388 5.283 18.217 1.00 0.00 PRO +ATOM 2209 CB LYS 157 14.143 4.283 16.760 1.00 0.00 PRO +ATOM 2210 HB1 LYS 157 14.245 3.258 17.185 1.00 0.00 PRO +ATOM 2211 HB2 LYS 157 14.100 4.186 15.652 1.00 0.00 PRO +ATOM 2212 CG LYS 157 12.806 4.854 17.255 1.00 0.00 PRO +ATOM 2213 HG1 LYS 157 12.660 5.882 16.849 1.00 0.00 PRO +ATOM 2214 HG2 LYS 157 12.820 4.926 18.366 1.00 0.00 PRO +ATOM 2215 CD LYS 157 11.626 3.975 16.810 1.00 0.00 PRO +ATOM 2216 HD1 LYS 157 11.775 2.943 17.196 1.00 0.00 PRO +ATOM 2217 HD2 LYS 157 11.649 3.921 15.698 1.00 0.00 PRO +ATOM 2218 CE LYS 157 10.266 4.515 17.268 1.00 0.00 PRO +ATOM 2219 HE1 LYS 157 10.106 5.549 16.890 1.00 0.00 PRO +ATOM 2220 HE2 LYS 157 10.205 4.520 18.379 1.00 0.00 PRO +ATOM 2221 NZ LYS 157 9.178 3.677 16.734 1.00 0.00 PRO +ATOM 2222 HZ1 LYS 157 9.316 2.683 16.998 1.00 0.00 PRO +ATOM 2223 HZ2 LYS 157 9.175 3.809 15.681 1.00 0.00 PRO +ATOM 2224 HZ3 LYS 157 8.268 4.026 17.083 1.00 0.00 PRO +ATOM 2225 C LYS 157 16.630 4.335 16.805 1.00 0.00 PRO +ATOM 2226 O LYS 157 17.185 3.615 17.625 1.00 0.00 PRO +ATOM 2227 N TYR 158 17.082 4.471 15.538 1.00 0.00 PRO +ATOM 2228 HN TYR 158 16.625 5.092 14.902 1.00 0.00 PRO +ATOM 2229 CA TYR 158 18.137 3.653 14.977 1.00 0.00 PRO +ATOM 2230 HA TYR 158 18.562 3.011 15.740 1.00 0.00 PRO +ATOM 2231 CB TYR 158 17.575 2.735 13.848 1.00 0.00 PRO +ATOM 2232 HB1 TYR 158 18.331 1.975 13.562 1.00 0.00 PRO +ATOM 2233 HB2 TYR 158 17.319 3.340 12.949 1.00 0.00 PRO +ATOM 2234 CG TYR 158 16.313 2.029 14.297 1.00 0.00 PRO +ATOM 2235 CD1 TYR 158 16.325 1.185 15.421 1.00 0.00 PRO +ATOM 2236 HD1 TYR 158 17.255 1.005 15.939 1.00 0.00 PRO +ATOM 2237 CE1 TYR 158 15.131 0.639 15.917 1.00 0.00 PRO +ATOM 2238 HE1 TYR 158 15.150 0.034 16.809 1.00 0.00 PRO +ATOM 2239 CZ TYR 158 13.913 0.903 15.277 1.00 0.00 PRO +ATOM 2240 OH TYR 158 12.696 0.377 15.771 1.00 0.00 PRO +ATOM 2241 HH TYR 158 12.031 0.522 15.072 1.00 0.00 PRO +ATOM 2242 CD2 TYR 158 15.090 2.249 13.637 1.00 0.00 PRO +ATOM 2243 HD2 TYR 158 15.058 2.892 12.769 1.00 0.00 PRO +ATOM 2244 CE2 TYR 158 13.898 1.696 14.126 1.00 0.00 PRO +ATOM 2245 HE2 TYR 158 12.962 1.915 13.631 1.00 0.00 PRO +ATOM 2246 C TYR 158 19.226 4.550 14.433 1.00 0.00 PRO +ATOM 2247 O TYR 158 19.118 4.990 13.238 1.00 0.00 PRO +ATOM 2248 N PRO 159 20.328 4.842 15.107 1.00 0.00 PRO +ATOM 2249 CD PRO 159 20.439 4.591 16.562 1.00 0.00 PRO +ATOM 2250 HD1 PRO 159 20.966 3.624 16.704 1.00 0.00 PRO +ATOM 2251 HD2 PRO 159 19.456 4.567 17.076 1.00 0.00 PRO +ATOM 2252 CA PRO 159 21.265 5.887 14.691 1.00 0.00 PRO +ATOM 2253 HA PRO 159 20.687 6.772 14.441 1.00 0.00 PRO +ATOM 2254 CB PRO 159 22.179 6.076 15.911 1.00 0.00 PRO +ATOM 2255 HB1 PRO 159 22.588 7.105 15.952 1.00 0.00 PRO +ATOM 2256 HB2 PRO 159 23.020 5.348 15.891 1.00 0.00 PRO +ATOM 2257 CG PRO 159 21.261 5.764 17.088 1.00 0.00 PRO +ATOM 2258 HG1 PRO 159 21.793 5.539 18.033 1.00 0.00 PRO +ATOM 2259 HG2 PRO 159 20.577 6.629 17.258 1.00 0.00 PRO +ATOM 2260 C PRO 159 22.108 5.521 13.485 1.00 0.00 PRO +ATOM 2261 O PRO 159 22.780 6.391 12.923 1.00 0.00 PRO +ATOM 2262 N THR 160 22.149 4.234 13.108 1.00 0.00 PRO +ATOM 2263 HN THR 160 21.628 3.535 13.599 1.00 0.00 PRO +ATOM 2264 CA THR 160 22.876 3.731 11.949 1.00 0.00 PRO +ATOM 2265 HA THR 160 23.818 4.256 11.879 1.00 0.00 PRO +ATOM 2266 CB THR 160 23.163 2.238 12.032 1.00 0.00 PRO +ATOM 2267 HB THR 160 23.419 1.800 11.036 1.00 0.00 PRO +ATOM 2268 OG1 THR 160 22.056 1.543 12.602 1.00 0.00 PRO +ATOM 2269 HG1 THR 160 21.693 1.014 11.874 1.00 0.00 PRO +ATOM 2270 CG2 THR 160 24.366 2.019 12.964 1.00 0.00 PRO +ATOM 2271 HG21 THR 160 24.142 2.373 13.991 1.00 0.00 PRO +ATOM 2272 HG22 THR 160 25.249 2.575 12.585 1.00 0.00 PRO +ATOM 2273 HG23 THR 160 24.621 0.940 13.013 1.00 0.00 PRO +ATOM 2274 C THR 160 22.132 4.024 10.664 1.00 0.00 PRO +ATOM 2275 O THR 160 22.697 4.018 9.572 1.00 0.00 PRO +ATOM 2276 N ASN 161 20.832 4.354 10.781 1.00 0.00 PRO +ATOM 2277 HN ASN 161 20.403 4.402 11.684 1.00 0.00 PRO +ATOM 2278 CA ASN 161 20.065 4.930 9.709 1.00 0.00 PRO +ATOM 2279 HA ASN 161 20.410 4.529 8.763 1.00 0.00 PRO +ATOM 2280 CB ASN 161 18.562 4.610 9.905 1.00 0.00 PRO +ATOM 2281 HB1 ASN 161 18.201 5.068 10.851 1.00 0.00 PRO +ATOM 2282 HB2 ASN 161 18.428 3.515 9.981 1.00 0.00 PRO +ATOM 2283 CG ASN 161 17.723 5.114 8.736 1.00 0.00 PRO +ATOM 2284 OD1 ASN 161 18.233 5.499 7.684 1.00 0.00 PRO +ATOM 2285 ND2 ASN 161 16.382 5.138 8.944 1.00 0.00 PRO +ATOM 2286 HD21 ASN 161 15.789 5.353 8.174 1.00 0.00 PRO +ATOM 2287 HD22 ASN 161 16.001 4.906 9.838 1.00 0.00 PRO +ATOM 2288 C ASN 161 20.301 6.434 9.719 1.00 0.00 PRO +ATOM 2289 O ASN 161 19.900 7.142 10.639 1.00 0.00 PRO +ATOM 2290 N THR 162 20.969 6.960 8.687 1.00 0.00 PRO +ATOM 2291 HN THR 162 21.350 6.371 7.985 1.00 0.00 PRO +ATOM 2292 CA THR 162 21.211 8.391 8.534 1.00 0.00 PRO +ATOM 2293 HA THR 162 20.677 8.942 9.297 1.00 0.00 PRO +ATOM 2294 CB THR 162 22.685 8.783 8.617 1.00 0.00 PRO +ATOM 2295 HB THR 162 22.809 9.876 8.414 1.00 0.00 PRO +ATOM 2296 OG1 THR 162 23.516 8.041 7.728 1.00 0.00 PRO +ATOM 2297 HG1 THR 162 24.296 8.603 7.646 1.00 0.00 PRO +ATOM 2298 CG2 THR 162 23.192 8.503 10.039 1.00 0.00 PRO +ATOM 2299 HG21 THR 162 23.133 7.419 10.278 1.00 0.00 PRO +ATOM 2300 HG22 THR 162 22.573 9.049 10.782 1.00 0.00 PRO +ATOM 2301 HG23 THR 162 24.245 8.834 10.148 1.00 0.00 PRO +ATOM 2302 C THR 162 20.637 8.848 7.219 1.00 0.00 PRO +ATOM 2303 O THR 162 20.961 9.928 6.720 1.00 0.00 PRO +ATOM 2304 N ALA 163 19.769 8.027 6.608 1.00 0.00 PRO +ATOM 2305 HN ALA 163 19.475 7.182 7.056 1.00 0.00 PRO +ATOM 2306 CA ALA 163 19.171 8.321 5.325 1.00 0.00 PRO +ATOM 2307 HA ALA 163 19.720 9.104 4.820 1.00 0.00 PRO +ATOM 2308 CB ALA 163 19.186 7.029 4.485 1.00 0.00 PRO +ATOM 2309 HB1 ALA 163 18.493 6.269 4.903 1.00 0.00 PRO +ATOM 2310 HB2 ALA 163 20.206 6.600 4.467 1.00 0.00 PRO +ATOM 2311 HB3 ALA 163 18.898 7.246 3.437 1.00 0.00 PRO +ATOM 2312 C ALA 163 17.751 8.809 5.525 1.00 0.00 PRO +ATOM 2313 O ALA 163 17.300 9.766 4.874 1.00 0.00 PRO +ATOM 2314 N GLY 164 17.034 8.212 6.492 1.00 0.00 PRO +ATOM 2315 HN GLY 164 17.412 7.404 6.950 1.00 0.00 PRO +ATOM 2316 CA GLY 164 15.697 8.604 6.910 1.00 0.00 PRO +ATOM 2317 HA1 GLY 164 15.786 9.593 7.343 1.00 0.00 PRO +ATOM 2318 HA2 GLY 164 15.353 7.872 7.623 1.00 0.00 PRO +ATOM 2319 C GLY 164 14.640 8.696 5.845 1.00 0.00 PRO +ATOM 2320 O GLY 164 14.699 8.062 4.783 1.00 0.00 PRO +ATOM 2321 N ALA 165 13.618 9.516 6.115 1.00 0.00 PRO +ATOM 2322 HN ALA 165 13.590 9.974 7.006 1.00 0.00 PRO +ATOM 2323 CA ALA 165 12.453 9.706 5.276 1.00 0.00 PRO +ATOM 2324 HA ALA 165 11.979 8.741 5.165 1.00 0.00 PRO +ATOM 2325 CB ALA 165 11.480 10.680 5.968 1.00 0.00 PRO +ATOM 2326 HB1 ALA 165 11.935 11.684 6.084 1.00 0.00 PRO +ATOM 2327 HB2 ALA 165 11.204 10.294 6.973 1.00 0.00 PRO +ATOM 2328 HB3 ALA 165 10.544 10.775 5.377 1.00 0.00 PRO +ATOM 2329 C ALA 165 12.781 10.196 3.874 1.00 0.00 PRO +ATOM 2330 O ALA 165 12.104 9.849 2.904 1.00 0.00 PRO +ATOM 2331 N LYS 166 13.867 10.977 3.726 1.00 0.00 PRO +ATOM 2332 HN LYS 166 14.428 11.145 4.530 1.00 0.00 PRO +ATOM 2333 CA LYS 166 14.366 11.506 2.463 1.00 0.00 PRO +ATOM 2334 HA LYS 166 13.567 12.074 2.004 1.00 0.00 PRO +ATOM 2335 CB LYS 166 15.586 12.438 2.718 1.00 0.00 PRO +ATOM 2336 HB1 LYS 166 16.402 11.853 3.196 1.00 0.00 PRO +ATOM 2337 HB2 LYS 166 15.255 13.217 3.439 1.00 0.00 PRO +ATOM 2338 CG LYS 166 16.114 13.126 1.442 1.00 0.00 PRO +ATOM 2339 HG1 LYS 166 15.233 13.544 0.903 1.00 0.00 PRO +ATOM 2340 HG2 LYS 166 16.567 12.364 0.768 1.00 0.00 PRO +ATOM 2341 CD LYS 166 17.134 14.254 1.701 1.00 0.00 PRO +ATOM 2342 HD1 LYS 166 18.035 13.804 2.175 1.00 0.00 PRO +ATOM 2343 HD2 LYS 166 16.674 14.970 2.418 1.00 0.00 PRO +ATOM 2344 CE LYS 166 17.536 14.993 0.410 1.00 0.00 PRO +ATOM 2345 HE1 LYS 166 16.634 15.462 -0.044 1.00 0.00 PRO +ATOM 2346 HE2 LYS 166 17.967 14.275 -0.321 1.00 0.00 PRO +ATOM 2347 NZ LYS 166 18.540 16.062 0.661 1.00 0.00 PRO +ATOM 2348 HZ1 LYS 166 19.421 15.669 1.060 1.00 0.00 PRO +ATOM 2349 HZ2 LYS 166 18.176 16.769 1.327 1.00 0.00 PRO +ATOM 2350 HZ3 LYS 166 18.778 16.559 -0.225 1.00 0.00 PRO +ATOM 2351 C LYS 166 14.751 10.418 1.470 1.00 0.00 PRO +ATOM 2352 O LYS 166 14.671 10.589 0.251 1.00 0.00 PRO +ATOM 2353 N TYR 167 15.195 9.251 1.951 1.00 0.00 PRO +ATOM 2354 HN TYR 167 15.260 9.102 2.941 1.00 0.00 PRO +ATOM 2355 CA TYR 167 15.537 8.139 1.087 1.00 0.00 PRO +ATOM 2356 HA TYR 167 15.407 8.423 0.052 1.00 0.00 PRO +ATOM 2357 CB TYR 167 17.012 7.697 1.255 1.00 0.00 PRO +ATOM 2358 HB1 TYR 167 17.215 6.763 0.688 1.00 0.00 PRO +ATOM 2359 HB2 TYR 167 17.208 7.518 2.329 1.00 0.00 PRO +ATOM 2360 CG TYR 167 17.946 8.772 0.738 1.00 0.00 PRO +ATOM 2361 CD1 TYR 167 18.514 8.672 -0.545 1.00 0.00 PRO +ATOM 2362 HD1 TYR 167 18.278 7.827 -1.172 1.00 0.00 PRO +ATOM 2363 CE1 TYR 167 19.372 9.670 -1.030 1.00 0.00 PRO +ATOM 2364 HE1 TYR 167 19.799 9.581 -2.016 1.00 0.00 PRO +ATOM 2365 CZ TYR 167 19.664 10.785 -0.240 1.00 0.00 PRO +ATOM 2366 OH TYR 167 20.509 11.792 -0.748 1.00 0.00 PRO +ATOM 2367 HH TYR 167 20.942 11.418 -1.522 1.00 0.00 PRO +ATOM 2368 CD2 TYR 167 18.286 9.881 1.534 1.00 0.00 PRO +ATOM 2369 HD2 TYR 167 17.861 9.972 2.519 1.00 0.00 PRO +ATOM 2370 CE2 TYR 167 19.129 10.889 1.046 1.00 0.00 PRO +ATOM 2371 HE2 TYR 167 19.376 11.739 1.664 1.00 0.00 PRO +ATOM 2372 C TYR 167 14.567 6.988 1.274 1.00 0.00 PRO +ATOM 2373 O TYR 167 14.855 5.850 0.898 1.00 0.00 PRO +ATOM 2374 N GLY 168 13.363 7.268 1.816 1.00 0.00 PRO +ATOM 2375 HN GLY 168 13.157 8.200 2.129 1.00 0.00 PRO +ATOM 2376 CA GLY 168 12.249 6.328 1.844 1.00 0.00 PRO +ATOM 2377 HA1 GLY 168 12.133 5.911 0.855 1.00 0.00 PRO +ATOM 2378 HA2 GLY 168 11.372 6.871 2.161 1.00 0.00 PRO +ATOM 2379 C GLY 168 12.422 5.166 2.777 1.00 0.00 PRO +ATOM 2380 O GLY 168 11.979 4.063 2.483 1.00 0.00 PRO +ATOM 2381 N THR 169 13.101 5.366 3.922 1.00 0.00 PRO +ATOM 2382 HN THR 169 13.474 6.266 4.141 1.00 0.00 PRO +ATOM 2383 CA THR 169 13.356 4.289 4.870 1.00 0.00 PRO +ATOM 2384 HA THR 169 13.370 3.356 4.324 1.00 0.00 PRO +ATOM 2385 CB THR 169 14.697 4.396 5.611 1.00 0.00 PRO +ATOM 2386 HB THR 169 14.898 3.448 6.166 1.00 0.00 PRO +ATOM 2387 OG1 THR 169 14.749 5.468 6.554 1.00 0.00 PRO +ATOM 2388 HG1 THR 169 13.931 5.404 7.069 1.00 0.00 PRO +ATOM 2389 CG2 THR 169 15.829 4.593 4.592 1.00 0.00 PRO +ATOM 2390 HG21 THR 169 15.691 5.533 4.017 1.00 0.00 PRO +ATOM 2391 HG22 THR 169 15.844 3.744 3.876 1.00 0.00 PRO +ATOM 2392 HG23 THR 169 16.807 4.645 5.110 1.00 0.00 PRO +ATOM 2393 C THR 169 12.264 4.184 5.909 1.00 0.00 PRO +ATOM 2394 O THR 169 11.565 5.160 6.214 1.00 0.00 PRO +ATOM 2395 N GLY 170 12.140 3.003 6.536 1.00 0.00 PRO +ATOM 2396 HN GLY 170 12.608 2.193 6.166 1.00 0.00 PRO +ATOM 2397 CA GLY 170 11.364 2.816 7.755 1.00 0.00 PRO +ATOM 2398 HA1 GLY 170 11.189 3.768 8.235 1.00 0.00 PRO +ATOM 2399 HA2 GLY 170 11.906 2.130 8.387 1.00 0.00 PRO +ATOM 2400 C GLY 170 10.029 2.206 7.504 1.00 0.00 PRO +ATOM 2401 O GLY 170 9.175 2.205 8.390 1.00 0.00 PRO +ATOM 2402 N TYR 171 9.806 1.651 6.303 1.00 0.00 PRO +ATOM 2403 HN TYR 171 10.515 1.646 5.600 1.00 0.00 PRO +ATOM 2404 CA TYR 171 8.547 1.043 5.923 1.00 0.00 PRO +ATOM 2405 HA TYR 171 7.791 1.802 6.065 1.00 0.00 PRO +ATOM 2406 CB TYR 171 8.542 0.673 4.413 1.00 0.00 PRO +ATOM 2407 HB1 TYR 171 9.346 -0.067 4.206 1.00 0.00 PRO +ATOM 2408 HB2 TYR 171 8.761 1.580 3.811 1.00 0.00 PRO +ATOM 2409 CG TYR 171 7.219 0.107 3.941 1.00 0.00 PRO +ATOM 2410 CD1 TYR 171 6.054 0.900 3.923 1.00 0.00 PRO +ATOM 2411 HD1 TYR 171 6.100 1.924 4.255 1.00 0.00 PRO +ATOM 2412 CE1 TYR 171 4.840 0.376 3.449 1.00 0.00 PRO +ATOM 2413 HE1 TYR 171 3.946 0.985 3.447 1.00 0.00 PRO +ATOM 2414 CZ TYR 171 4.786 -0.943 2.991 1.00 0.00 PRO +ATOM 2415 OH TYR 171 3.601 -1.499 2.468 1.00 0.00 PRO +ATOM 2416 HH TYR 171 3.588 -2.442 2.738 1.00 0.00 PRO +ATOM 2417 CD2 TYR 171 7.133 -1.221 3.503 1.00 0.00 PRO +ATOM 2418 HD2 TYR 171 8.009 -1.845 3.524 1.00 0.00 PRO +ATOM 2419 CE2 TYR 171 5.925 -1.746 3.031 1.00 0.00 PRO +ATOM 2420 HE2 TYR 171 5.869 -2.768 2.686 1.00 0.00 PRO +ATOM 2421 C TYR 171 8.143 -0.129 6.826 1.00 0.00 PRO +ATOM 2422 O TYR 171 8.964 -0.858 7.377 1.00 0.00 PRO +ATOM 2423 N CYS 172 6.823 -0.279 7.019 1.00 0.00 PRO +ATOM 2424 HN CYS 172 6.140 0.306 6.583 1.00 0.00 PRO +ATOM 2425 CA CYS 172 6.263 -1.349 7.788 1.00 0.00 PRO +ATOM 2426 HA CYS 172 6.793 -2.266 7.564 1.00 0.00 PRO +ATOM 2427 CB CYS 172 6.317 -1.037 9.307 1.00 0.00 PRO +ATOM 2428 HB1 CYS 172 7.390 -0.969 9.572 1.00 0.00 PRO +ATOM 2429 HB2 CYS 172 5.893 -1.889 9.874 1.00 0.00 PRO +ATOM 2430 SG CYS 172 5.524 0.529 9.803 1.00 0.00 PRO +ATOM 2431 C CYS 172 4.849 -1.530 7.308 1.00 0.00 PRO +ATOM 2432 O CYS 172 4.251 -0.566 6.815 1.00 0.00 PRO +ATOM 2433 N ASP 173 4.298 -2.741 7.434 1.00 0.00 PRO +ATOM 2434 HN ASP 173 4.797 -3.509 7.835 1.00 0.00 PRO +ATOM 2435 CA ASP 173 2.939 -3.036 7.043 1.00 0.00 PRO +ATOM 2436 HA ASP 173 2.314 -2.253 7.453 1.00 0.00 PRO +ATOM 2437 CB ASP 173 2.726 -3.034 5.496 1.00 0.00 PRO +ATOM 2438 HB1 ASP 173 3.162 -2.115 5.058 1.00 0.00 PRO +ATOM 2439 HB2 ASP 173 1.634 -2.978 5.316 1.00 0.00 PRO +ATOM 2440 CG ASP 173 3.197 -4.228 4.691 1.00 0.00 PRO +ATOM 2441 OD1 ASP 173 2.881 -5.399 5.097 1.00 0.00 PRO +ATOM 2442 OD2 ASP 173 3.775 -4.020 3.615 1.00 0.00 PRO +ATOM 2443 C ASP 173 2.526 -4.304 7.774 1.00 0.00 PRO +ATOM 2444 O ASP 173 3.282 -4.858 8.574 1.00 0.00 PRO +ATOM 2445 N SER 174 1.276 -4.751 7.556 1.00 0.00 PRO +ATOM 2446 HN SER 174 0.712 -4.330 6.837 1.00 0.00 PRO +ATOM 2447 CA SER 174 0.665 -5.829 8.311 1.00 0.00 PRO +ATOM 2448 HA SER 174 0.970 -5.718 9.341 1.00 0.00 PRO +ATOM 2449 CB SER 174 -0.873 -5.715 8.266 1.00 0.00 PRO +ATOM 2450 HB1 SER 174 -1.161 -4.692 8.593 1.00 0.00 PRO +ATOM 2451 HB2 SER 174 -1.320 -6.435 8.982 1.00 0.00 PRO +ATOM 2452 OG SER 174 -1.395 -5.949 6.958 1.00 0.00 PRO +ATOM 2453 HG1 SER 174 -1.277 -5.134 6.417 1.00 0.00 PRO +ATOM 2454 C SER 174 1.092 -7.230 7.882 1.00 0.00 PRO +ATOM 2455 O SER 174 0.902 -8.208 8.616 1.00 0.00 PRO +ATOM 2456 N GLN 175 1.761 -7.373 6.716 1.00 0.00 PRO +ATOM 2457 HN GLN 175 1.909 -6.577 6.104 1.00 0.00 PRO +ATOM 2458 CA GLN 175 2.406 -8.614 6.316 1.00 0.00 PRO +ATOM 2459 HA GLN 175 1.768 -9.445 6.581 1.00 0.00 PRO +ATOM 2460 CB GLN 175 2.771 -8.631 4.804 1.00 0.00 PRO +ATOM 2461 HB1 GLN 175 3.233 -9.613 4.559 1.00 0.00 PRO +ATOM 2462 HB2 GLN 175 3.525 -7.837 4.589 1.00 0.00 PRO +ATOM 2463 CG GLN 175 1.587 -8.393 3.849 1.00 0.00 PRO +ATOM 2464 HG1 GLN 175 1.860 -8.653 2.807 1.00 0.00 PRO +ATOM 2465 HG2 GLN 175 1.330 -7.312 3.871 1.00 0.00 PRO +ATOM 2466 CD GLN 175 0.388 -9.232 4.268 1.00 0.00 PRO +ATOM 2467 OE1 GLN 175 0.476 -10.460 4.199 1.00 0.00 PRO +ATOM 2468 NE2 GLN 175 -0.717 -8.568 4.690 1.00 0.00 PRO +ATOM 2469 HE21 GLN 175 -0.715 -7.559 4.681 1.00 0.00 PRO +ATOM 2470 HE22 GLN 175 -1.542 -9.054 4.969 1.00 0.00 PRO +ATOM 2471 C GLN 175 3.720 -8.778 7.041 1.00 0.00 PRO +ATOM 2472 O GLN 175 4.332 -9.846 7.027 1.00 0.00 PRO +ATOM 2473 N CYS 176 4.190 -7.680 7.646 1.00 0.00 PRO +ATOM 2474 HN CYS 176 3.621 -6.856 7.609 1.00 0.00 PRO +ATOM 2475 CA CYS 176 5.479 -7.547 8.275 1.00 0.00 PRO +ATOM 2476 HA CYS 176 5.537 -6.521 8.592 1.00 0.00 PRO +ATOM 2477 CB CYS 176 5.586 -8.397 9.561 1.00 0.00 PRO +ATOM 2478 HB1 CYS 176 6.552 -8.165 10.046 1.00 0.00 PRO +ATOM 2479 HB2 CYS 176 5.585 -9.476 9.295 1.00 0.00 PRO +ATOM 2480 SG CYS 176 4.210 -8.088 10.715 1.00 0.00 PRO +ATOM 2481 C CYS 176 6.652 -7.785 7.322 1.00 0.00 PRO +ATOM 2482 O CYS 176 7.490 -8.652 7.595 1.00 0.00 PRO +ATOM 2483 N PRO 177 6.740 -7.063 6.194 1.00 0.00 PRO +ATOM 2484 CD PRO 177 6.008 -5.823 5.950 1.00 0.00 PRO +ATOM 2485 HD1 PRO 177 5.751 -5.258 6.867 1.00 0.00 PRO +ATOM 2486 HD2 PRO 177 5.081 -6.094 5.403 1.00 0.00 PRO +ATOM 2487 CA PRO 177 7.585 -7.371 5.044 1.00 0.00 PRO +ATOM 2488 HA PRO 177 7.165 -8.250 4.585 1.00 0.00 PRO +ATOM 2489 CB PRO 177 7.447 -6.151 4.110 1.00 0.00 PRO +ATOM 2490 HB1 PRO 177 6.664 -6.366 3.346 1.00 0.00 PRO +ATOM 2491 HB2 PRO 177 8.377 -5.873 3.577 1.00 0.00 PRO +ATOM 2492 CG PRO 177 6.930 -5.043 5.027 1.00 0.00 PRO +ATOM 2493 HG1 PRO 177 7.762 -4.608 5.620 1.00 0.00 PRO +ATOM 2494 HG2 PRO 177 6.390 -4.243 4.479 1.00 0.00 PRO +ATOM 2495 C PRO 177 9.024 -7.720 5.353 1.00 0.00 PRO +ATOM 2496 O PRO 177 9.737 -6.962 5.994 1.00 0.00 PRO +ATOM 2497 N ARG 178 9.461 -8.890 4.845 1.00 0.00 PRO +ATOM 2498 HN ARG 178 8.831 -9.456 4.331 1.00 0.00 PRO +ATOM 2499 CA ARG 178 10.797 -9.403 5.040 1.00 0.00 PRO +ATOM 2500 HA ARG 178 11.284 -8.872 5.846 1.00 0.00 PRO +ATOM 2501 CB ARG 178 10.760 -10.924 5.353 1.00 0.00 PRO +ATOM 2502 HB1 ARG 178 11.802 -11.319 5.390 1.00 0.00 PRO +ATOM 2503 HB2 ARG 178 10.226 -11.424 4.516 1.00 0.00 PRO +ATOM 2504 CG ARG 178 10.063 -11.314 6.674 1.00 0.00 PRO +ATOM 2505 HG1 ARG 178 9.097 -10.767 6.756 1.00 0.00 PRO +ATOM 2506 HG2 ARG 178 10.687 -10.993 7.537 1.00 0.00 PRO +ATOM 2507 CD ARG 178 9.753 -12.813 6.792 1.00 0.00 PRO +ATOM 2508 HD1 ARG 178 9.084 -13.119 5.951 1.00 0.00 PRO +ATOM 2509 HD2 ARG 178 9.239 -13.028 7.759 1.00 0.00 PRO +ATOM 2510 NE ARG 178 11.001 -13.610 6.729 1.00 0.00 PRO +ATOM 2511 HE ARG 178 11.901 -13.124 6.621 1.00 0.00 PRO +ATOM 2512 CZ ARG 178 11.090 -14.913 6.789 1.00 0.00 PRO +ATOM 2513 NH1 ARG 178 9.937 -15.683 6.909 1.00 0.00 PRO +ATOM 2514 HH11 ARG 178 9.087 -15.214 6.909 1.00 0.00 PRO +ATOM 2515 HH12 ARG 178 9.995 -16.660 6.926 1.00 0.00 PRO +ATOM 2516 NH2 ARG 178 12.195 -15.526 6.753 1.00 0.00 PRO +ATOM 2517 HH21 ARG 178 13.025 -14.936 6.589 1.00 0.00 PRO +ATOM 2518 HH22 ARG 178 12.233 -16.512 6.826 1.00 0.00 PRO +ATOM 2519 C ARG 178 11.639 -9.206 3.790 1.00 0.00 PRO +ATOM 2520 O ARG 178 12.783 -9.641 3.727 1.00 0.00 PRO +ATOM 2521 N ASP 179 11.095 -8.530 2.754 1.00 0.00 PRO +ATOM 2522 HN ASP 179 10.175 -8.142 2.776 1.00 0.00 PRO +ATOM 2523 CA ASP 179 11.808 -8.300 1.515 1.00 0.00 PRO +ATOM 2524 HA ASP 179 12.562 -9.065 1.384 1.00 0.00 PRO +ATOM 2525 CB ASP 179 10.822 -8.385 0.304 1.00 0.00 PRO +ATOM 2526 HB1 ASP 179 10.307 -9.366 0.324 1.00 0.00 PRO +ATOM 2527 HB2 ASP 179 11.416 -8.328 -0.631 1.00 0.00 PRO +ATOM 2528 CG ASP 179 9.758 -7.298 0.232 1.00 0.00 PRO +ATOM 2529 OD1 ASP 179 9.641 -6.474 1.152 1.00 0.00 PRO +ATOM 2530 OD2 ASP 179 9.013 -7.294 -0.798 1.00 0.00 PRO +ATOM 2531 C ASP 179 12.536 -6.959 1.569 1.00 0.00 PRO +ATOM 2532 O ASP 179 13.334 -6.612 0.697 1.00 0.00 PRO +ATOM 2533 N LEU 180 12.301 -6.174 2.642 1.00 0.00 PRO +ATOM 2534 HN LEU 180 11.593 -6.441 3.287 1.00 0.00 PRO +ATOM 2535 CA LEU 180 12.971 -4.917 2.878 1.00 0.00 PRO +ATOM 2536 HA LEU 180 12.852 -4.329 1.983 1.00 0.00 PRO +ATOM 2537 CB LEU 180 12.373 -4.109 4.051 1.00 0.00 PRO +ATOM 2538 HB1 LEU 180 12.841 -3.100 4.083 1.00 0.00 PRO +ATOM 2539 HB2 LEU 180 12.602 -4.623 5.009 1.00 0.00 PRO +ATOM 2540 CG LEU 180 10.845 -3.921 3.983 1.00 0.00 PRO +ATOM 2541 HG LEU 180 10.368 -4.928 4.060 1.00 0.00 PRO +ATOM 2542 CD1 LEU 180 10.363 -3.094 5.184 1.00 0.00 PRO +ATOM 2543 HD11 LEU 180 10.819 -2.082 5.177 1.00 0.00 PRO +ATOM 2544 HD12 LEU 180 10.638 -3.600 6.133 1.00 0.00 PRO +ATOM 2545 HD13 LEU 180 9.259 -2.977 5.158 1.00 0.00 PRO +ATOM 2546 CD2 LEU 180 10.383 -3.293 2.658 1.00 0.00 PRO +ATOM 2547 HD21 LEU 180 10.708 -3.906 1.791 1.00 0.00 PRO +ATOM 2548 HD22 LEU 180 10.776 -2.261 2.546 1.00 0.00 PRO +ATOM 2549 HD23 LEU 180 9.274 -3.265 2.625 1.00 0.00 PRO +ATOM 2550 C LEU 180 14.456 -5.105 3.088 1.00 0.00 PRO +ATOM 2551 O LEU 180 14.918 -5.931 3.869 1.00 0.00 PRO +ATOM 2552 N LYS 181 15.260 -4.322 2.353 1.00 0.00 PRO +ATOM 2553 HN LYS 181 14.864 -3.676 1.696 1.00 0.00 PRO +ATOM 2554 CA LYS 181 16.691 -4.484 2.379 1.00 0.00 PRO +ATOM 2555 HA LYS 181 16.914 -5.540 2.477 1.00 0.00 PRO +ATOM 2556 CB LYS 181 17.287 -4.028 1.029 1.00 0.00 PRO +ATOM 2557 HB1 LYS 181 18.380 -3.857 1.113 1.00 0.00 PRO +ATOM 2558 HB2 LYS 181 16.813 -3.065 0.758 1.00 0.00 PRO +ATOM 2559 CG LYS 181 17.043 -5.073 -0.071 1.00 0.00 PRO +ATOM 2560 HG1 LYS 181 15.956 -5.318 -0.125 1.00 0.00 PRO +ATOM 2561 HG2 LYS 181 17.567 -6.016 0.213 1.00 0.00 PRO +ATOM 2562 CD LYS 181 17.532 -4.636 -1.462 1.00 0.00 PRO +ATOM 2563 HD1 LYS 181 17.432 -5.530 -2.115 1.00 0.00 PRO +ATOM 2564 HD2 LYS 181 18.613 -4.378 -1.390 1.00 0.00 PRO +ATOM 2565 CE LYS 181 16.725 -3.480 -2.065 1.00 0.00 PRO +ATOM 2566 HE1 LYS 181 16.870 -2.555 -1.466 1.00 0.00 PRO +ATOM 2567 HE2 LYS 181 15.644 -3.741 -2.082 1.00 0.00 PRO +ATOM 2568 NZ LYS 181 17.139 -3.187 -3.454 1.00 0.00 PRO +ATOM 2569 HZ1 LYS 181 17.057 -4.034 -4.052 1.00 0.00 PRO +ATOM 2570 HZ2 LYS 181 18.114 -2.841 -3.462 1.00 0.00 PRO +ATOM 2571 HZ3 LYS 181 16.508 -2.447 -3.857 1.00 0.00 PRO +ATOM 2572 C LYS 181 17.375 -3.842 3.577 1.00 0.00 PRO +ATOM 2573 O LYS 181 18.451 -4.236 3.975 1.00 0.00 PRO +ATOM 2574 N PHE 182 16.692 -2.858 4.209 1.00 0.00 PRO +ATOM 2575 HN PHE 182 15.795 -2.586 3.885 1.00 0.00 PRO +ATOM 2576 CA PHE 182 17.165 -2.247 5.432 1.00 0.00 PRO +ATOM 2577 HA PHE 182 17.895 -2.904 5.885 1.00 0.00 PRO +ATOM 2578 CB PHE 182 17.799 -0.843 5.227 1.00 0.00 PRO +ATOM 2579 HB1 PHE 182 18.050 -0.377 6.203 1.00 0.00 PRO +ATOM 2580 HB2 PHE 182 17.090 -0.176 4.689 1.00 0.00 PRO +ATOM 2581 CG PHE 182 19.073 -0.952 4.431 1.00 0.00 PRO +ATOM 2582 CD1 PHE 182 20.298 -1.195 5.074 1.00 0.00 PRO +ATOM 2583 HD1 PHE 182 20.316 -1.303 6.147 1.00 0.00 PRO +ATOM 2584 CE1 PHE 182 21.483 -1.313 4.337 1.00 0.00 PRO +ATOM 2585 HE1 PHE 182 22.415 -1.523 4.841 1.00 0.00 PRO +ATOM 2586 CZ PHE 182 21.455 -1.170 2.944 1.00 0.00 PRO +ATOM 2587 HZ PHE 182 22.367 -1.267 2.374 1.00 0.00 PRO +ATOM 2588 CD2 PHE 182 19.065 -0.784 3.038 1.00 0.00 PRO +ATOM 2589 HD2 PHE 182 18.130 -0.583 2.540 1.00 0.00 PRO +ATOM 2590 CE2 PHE 182 20.244 -0.900 2.294 1.00 0.00 PRO +ATOM 2591 HE2 PHE 182 20.210 -0.782 1.220 1.00 0.00 PRO +ATOM 2592 C PHE 182 16.041 -2.145 6.430 1.00 0.00 PRO +ATOM 2593 O PHE 182 14.999 -1.519 6.148 1.00 0.00 PRO +ATOM 2594 N ILE 183 16.206 -2.722 7.622 1.00 0.00 PRO +ATOM 2595 HN ILE 183 17.089 -3.168 7.826 1.00 0.00 PRO +ATOM 2596 CA ILE 183 15.229 -2.733 8.697 1.00 0.00 PRO +ATOM 2597 HA ILE 183 14.482 -1.975 8.505 1.00 0.00 PRO +ATOM 2598 CB ILE 183 14.506 -4.075 8.868 1.00 0.00 PRO +ATOM 2599 HB ILE 183 15.256 -4.867 9.101 1.00 0.00 PRO +ATOM 2600 CG2 ILE 183 13.499 -3.980 10.042 1.00 0.00 PRO +ATOM 2601 HG21 ILE 183 12.751 -3.183 9.850 1.00 0.00 PRO +ATOM 2602 HG22 ILE 183 14.003 -3.775 11.007 1.00 0.00 PRO +ATOM 2603 HG23 ILE 183 12.948 -4.936 10.164 1.00 0.00 PRO +ATOM 2604 CG1 ILE 183 13.793 -4.496 7.555 1.00 0.00 PRO +ATOM 2605 HG11 ILE 183 14.516 -4.486 6.709 1.00 0.00 PRO +ATOM 2606 HG12 ILE 183 12.999 -3.752 7.318 1.00 0.00 PRO +ATOM 2607 CD ILE 183 13.182 -5.901 7.607 1.00 0.00 PRO +ATOM 2608 HD1 ILE 183 12.372 -5.958 8.360 1.00 0.00 PRO +ATOM 2609 HD2 ILE 183 13.954 -6.656 7.860 1.00 0.00 PRO +ATOM 2610 HD3 ILE 183 12.742 -6.180 6.624 1.00 0.00 PRO +ATOM 2611 C ILE 183 15.978 -2.353 9.969 1.00 0.00 PRO +ATOM 2612 O ILE 183 17.006 -2.915 10.303 1.00 0.00 PRO +ATOM 2613 N ASN 184 15.492 -1.311 10.691 1.00 0.00 PRO +ATOM 2614 HN ASN 184 14.640 -0.886 10.405 1.00 0.00 PRO +ATOM 2615 CA ASN 184 16.062 -0.839 11.954 1.00 0.00 PRO +ATOM 2616 HA ASN 184 15.477 0.027 12.224 1.00 0.00 PRO +ATOM 2617 CB ASN 184 15.955 -1.853 13.126 1.00 0.00 PRO +ATOM 2618 HB1 ASN 184 16.523 -1.489 14.010 1.00 0.00 PRO +ATOM 2619 HB2 ASN 184 16.367 -2.839 12.831 1.00 0.00 PRO +ATOM 2620 CG ASN 184 14.500 -2.015 13.543 1.00 0.00 PRO +ATOM 2621 OD1 ASN 184 13.546 -1.656 12.863 1.00 0.00 PRO +ATOM 2622 ND2 ASN 184 14.316 -2.535 14.784 1.00 0.00 PRO +ATOM 2623 HD21 ASN 184 13.370 -2.681 15.045 1.00 0.00 PRO +ATOM 2624 HD22 ASN 184 15.116 -2.844 15.290 1.00 0.00 PRO +ATOM 2625 C ASN 184 17.482 -0.300 11.848 1.00 0.00 PRO +ATOM 2626 O ASN 184 18.295 -0.379 12.755 1.00 0.00 PRO +ATOM 2627 N GLY 185 17.794 0.305 10.682 1.00 0.00 PRO +ATOM 2628 HN GLY 185 17.116 0.281 9.962 1.00 0.00 PRO +ATOM 2629 CA GLY 185 19.092 0.898 10.399 1.00 0.00 PRO +ATOM 2630 HA1 GLY 185 19.388 1.517 11.235 1.00 0.00 PRO +ATOM 2631 HA2 GLY 185 19.008 1.446 9.472 1.00 0.00 PRO +ATOM 2632 C GLY 185 20.186 -0.114 10.198 1.00 0.00 PRO +ATOM 2633 O GLY 185 21.354 0.204 10.294 1.00 0.00 PRO +ATOM 2634 N GLN 186 19.787 -1.367 9.909 1.00 0.00 PRO +ATOM 2635 HN GLN 186 18.820 -1.603 9.872 1.00 0.00 PRO +ATOM 2636 CA GLN 186 20.668 -2.472 9.660 1.00 0.00 PRO +ATOM 2637 HA GLN 186 21.686 -2.137 9.552 1.00 0.00 PRO +ATOM 2638 CB GLN 186 20.575 -3.561 10.756 1.00 0.00 PRO +ATOM 2639 HB1 GLN 186 21.366 -4.314 10.552 1.00 0.00 PRO +ATOM 2640 HB2 GLN 186 19.583 -4.068 10.692 1.00 0.00 PRO +ATOM 2641 CG GLN 186 20.765 -3.030 12.193 1.00 0.00 PRO +ATOM 2642 HG1 GLN 186 19.927 -2.369 12.492 1.00 0.00 PRO +ATOM 2643 HG2 GLN 186 21.711 -2.451 12.258 1.00 0.00 PRO +ATOM 2644 CD GLN 186 20.859 -4.188 13.181 1.00 0.00 PRO +ATOM 2645 OE1 GLN 186 21.894 -4.394 13.831 1.00 0.00 PRO +ATOM 2646 NE2 GLN 186 19.784 -4.988 13.300 1.00 0.00 PRO +ATOM 2647 HE21 GLN 186 19.850 -5.767 13.917 1.00 0.00 PRO +ATOM 2648 HE22 GLN 186 18.975 -4.814 12.741 1.00 0.00 PRO +ATOM 2649 C GLN 186 20.203 -3.075 8.363 1.00 0.00 PRO +ATOM 2650 O GLN 186 19.073 -2.804 7.920 1.00 0.00 PRO +ATOM 2651 N ALA 187 21.024 -3.887 7.697 1.00 0.00 PRO +ATOM 2652 HN ALA 187 21.936 -4.111 8.052 1.00 0.00 PRO +ATOM 2653 CA ALA 187 20.595 -4.608 6.520 1.00 0.00 PRO +ATOM 2654 HA ALA 187 19.931 -3.974 5.945 1.00 0.00 PRO +ATOM 2655 CB ALA 187 21.788 -4.967 5.626 1.00 0.00 PRO +ATOM 2656 HB1 ALA 187 22.473 -5.674 6.137 1.00 0.00 PRO +ATOM 2657 HB2 ALA 187 22.349 -4.039 5.385 1.00 0.00 PRO +ATOM 2658 HB3 ALA 187 21.460 -5.416 4.664 1.00 0.00 PRO +ATOM 2659 C ALA 187 19.808 -5.856 6.895 1.00 0.00 PRO +ATOM 2660 O ALA 187 19.640 -6.183 8.062 1.00 0.00 PRO +ATOM 2661 N ASN 188 19.285 -6.558 5.874 1.00 0.00 PRO +ATOM 2662 HN ASN 188 19.369 -6.210 4.945 1.00 0.00 PRO +ATOM 2663 CA ASN 188 18.510 -7.773 6.054 1.00 0.00 PRO +ATOM 2664 HA ASN 188 18.470 -8.026 7.106 1.00 0.00 PRO +ATOM 2665 CB ASN 188 17.089 -7.521 5.493 1.00 0.00 PRO +ATOM 2666 HB1 ASN 188 17.067 -7.612 4.388 1.00 0.00 PRO +ATOM 2667 HB2 ASN 188 16.790 -6.482 5.756 1.00 0.00 PRO +ATOM 2668 CG ASN 188 16.055 -8.447 6.118 1.00 0.00 PRO +ATOM 2669 OD1 ASN 188 16.317 -9.225 7.043 1.00 0.00 PRO +ATOM 2670 ND2 ASN 188 14.805 -8.367 5.613 1.00 0.00 PRO +ATOM 2671 HD21 ASN 188 14.084 -8.907 6.028 1.00 0.00 PRO +ATOM 2672 HD22 ASN 188 14.618 -7.707 4.872 1.00 0.00 PRO +ATOM 2673 C ASN 188 19.221 -8.922 5.348 1.00 0.00 PRO +ATOM 2674 O ASN 188 18.617 -9.934 4.976 1.00 0.00 PRO +ATOM 2675 N VAL 189 20.538 -8.780 5.117 1.00 0.00 PRO +ATOM 2676 HN VAL 189 20.995 -7.976 5.485 1.00 0.00 PRO +ATOM 2677 CA VAL 189 21.397 -9.747 4.444 1.00 0.00 PRO +ATOM 2678 HA VAL 189 20.935 -9.949 3.490 1.00 0.00 PRO +ATOM 2679 CB VAL 189 22.794 -9.178 4.153 1.00 0.00 PRO +ATOM 2680 HB VAL 189 22.659 -8.290 3.491 1.00 0.00 PRO +ATOM 2681 CG1 VAL 189 23.510 -8.710 5.437 1.00 0.00 PRO +ATOM 2682 HG11 VAL 189 23.637 -9.552 6.149 1.00 0.00 PRO +ATOM 2683 HG12 VAL 189 22.945 -7.906 5.947 1.00 0.00 PRO +ATOM 2684 HG13 VAL 189 24.523 -8.326 5.196 1.00 0.00 PRO +ATOM 2685 CG2 VAL 189 23.655 -10.209 3.393 1.00 0.00 PRO +ATOM 2686 HG21 VAL 189 23.090 -10.635 2.538 1.00 0.00 PRO +ATOM 2687 HG22 VAL 189 23.954 -11.046 4.060 1.00 0.00 PRO +ATOM 2688 HG23 VAL 189 24.580 -9.733 3.008 1.00 0.00 PRO +ATOM 2689 C VAL 189 21.457 -11.094 5.144 1.00 0.00 PRO +ATOM 2690 O VAL 189 21.465 -12.152 4.492 1.00 0.00 PRO +ATOM 2691 N GLU 190 21.475 -11.128 6.485 1.00 0.00 PRO +ATOM 2692 HN GLU 190 21.460 -10.272 7.018 1.00 0.00 PRO +ATOM 2693 CA GLU 190 21.429 -12.362 7.237 1.00 0.00 PRO +ATOM 2694 HA GLU 190 22.222 -12.995 6.847 1.00 0.00 PRO +ATOM 2695 CB GLU 190 21.697 -12.162 8.743 1.00 0.00 PRO +ATOM 2696 HB1 GLU 190 21.532 -13.119 9.292 1.00 0.00 PRO +ATOM 2697 HB2 GLU 190 20.960 -11.427 9.133 1.00 0.00 PRO +ATOM 2698 CG GLU 190 23.138 -11.694 9.052 1.00 0.00 PRO +ATOM 2699 HG1 GLU 190 23.382 -10.799 8.441 1.00 0.00 PRO +ATOM 2700 HG2 GLU 190 23.847 -12.504 8.794 1.00 0.00 PRO +ATOM 2701 CD GLU 190 23.310 -11.308 10.517 1.00 0.00 PRO +ATOM 2702 OE1 GLU 190 22.887 -12.108 11.404 1.00 0.00 PRO +ATOM 2703 OE2 GLU 190 23.843 -10.205 10.778 1.00 0.00 PRO +ATOM 2704 C GLU 190 20.146 -13.142 7.058 1.00 0.00 PRO +ATOM 2705 O GLU 190 19.029 -12.669 7.394 1.00 0.00 PRO +ATOM 2706 N GLY 191 20.230 -14.362 6.538 1.00 0.00 PRO +ATOM 2707 HN GLY 191 21.136 -14.684 6.233 1.00 0.00 PRO +ATOM 2708 CA GLY 191 19.077 -15.206 6.271 1.00 0.00 PRO +ATOM 2709 HA1 GLY 191 18.355 -15.095 7.070 1.00 0.00 PRO +ATOM 2710 HA2 GLY 191 19.443 -16.206 6.152 1.00 0.00 PRO +ATOM 2711 C GLY 191 18.374 -14.860 4.999 1.00 0.00 PRO +ATOM 2712 O GLY 191 17.174 -15.126 4.873 1.00 0.00 PRO +ATOM 2713 N TRP 192 19.089 -14.284 4.027 1.00 0.00 PRO +ATOM 2714 HN TRP 192 20.059 -14.074 4.158 1.00 0.00 PRO +ATOM 2715 CA TRP 192 18.528 -13.865 2.765 1.00 0.00 PRO +ATOM 2716 HA TRP 192 17.518 -13.536 2.937 1.00 0.00 PRO +ATOM 2717 CB TRP 192 19.327 -12.666 2.184 1.00 0.00 PRO +ATOM 2718 HB1 TRP 192 20.369 -12.999 1.981 1.00 0.00 PRO +ATOM 2719 HB2 TRP 192 19.383 -11.896 2.985 1.00 0.00 PRO +ATOM 2720 CG TRP 192 18.760 -12.020 0.956 1.00 0.00 PRO +ATOM 2721 CD1 TRP 192 19.053 -12.325 -0.350 1.00 0.00 PRO +ATOM 2722 HD1 TRP 192 19.708 -13.134 -0.649 1.00 0.00 PRO +ATOM 2723 NE1 TRP 192 18.346 -11.491 -1.182 1.00 0.00 PRO +ATOM 2724 HE1 TRP 192 18.348 -11.506 -2.173 1.00 0.00 PRO +ATOM 2725 CE2 TRP 192 17.583 -10.637 -0.439 1.00 0.00 PRO +ATOM 2726 CD2 TRP 192 17.818 -10.936 0.925 1.00 0.00 PRO +ATOM 2727 CE3 TRP 192 17.173 -10.188 1.911 1.00 0.00 PRO +ATOM 2728 HE3 TRP 192 17.327 -10.403 2.957 1.00 0.00 PRO +ATOM 2729 CZ3 TRP 192 16.284 -9.182 1.526 1.00 0.00 PRO +ATOM 2730 HZ3 TRP 192 15.738 -8.624 2.278 1.00 0.00 PRO +ATOM 2731 CZ2 TRP 192 16.709 -9.632 -0.818 1.00 0.00 PRO +ATOM 2732 HZ2 TRP 192 16.513 -9.429 -1.857 1.00 0.00 PRO +ATOM 2733 CH2 TRP 192 16.051 -8.911 0.181 1.00 0.00 PRO +ATOM 2734 HH2 TRP 192 15.333 -8.145 -0.086 1.00 0.00 PRO +ATOM 2735 C TRP 192 18.466 -15.012 1.761 1.00 0.00 PRO +ATOM 2736 O TRP 192 19.457 -15.606 1.388 1.00 0.00 PRO +ATOM 2737 N GLU 193 17.234 -15.292 1.290 1.00 0.00 PRO +ATOM 2738 HN GLU 193 16.445 -14.794 1.646 1.00 0.00 PRO +ATOM 2739 CA GLU 193 16.966 -16.270 0.263 1.00 0.00 PRO +ATOM 2740 HA GLU 193 17.856 -16.843 0.033 1.00 0.00 PRO +ATOM 2741 CB GLU 193 15.882 -17.279 0.712 1.00 0.00 PRO +ATOM 2742 HB1 GLU 193 15.521 -17.869 -0.161 1.00 0.00 PRO +ATOM 2743 HB2 GLU 193 15.017 -16.697 1.108 1.00 0.00 PRO +ATOM 2744 CG GLU 193 16.354 -18.268 1.808 1.00 0.00 PRO +ATOM 2745 HG1 GLU 193 15.480 -18.856 2.151 1.00 0.00 PRO +ATOM 2746 HG2 GLU 193 16.769 -17.702 2.669 1.00 0.00 PRO +ATOM 2747 CD GLU 193 17.412 -19.280 1.364 1.00 0.00 PRO +ATOM 2748 OE1 GLU 193 17.203 -19.896 0.256 1.00 0.00 PRO +ATOM 2749 OE2 GLU 193 18.354 -19.526 2.127 1.00 0.00 PRO +ATOM 2750 C GLU 193 16.490 -15.525 -0.956 1.00 0.00 PRO +ATOM 2751 O GLU 193 15.386 -14.903 -0.878 1.00 0.00 PRO +ATOM 2752 N PRO 194 17.174 -15.459 -2.080 1.00 0.00 PRO +ATOM 2753 CD PRO 194 18.556 -15.941 -2.218 1.00 0.00 PRO +ATOM 2754 HD1 PRO 194 18.516 -17.046 -2.325 1.00 0.00 PRO +ATOM 2755 HD2 PRO 194 19.183 -15.650 -1.349 1.00 0.00 PRO +ATOM 2756 CA PRO 194 16.655 -14.980 -3.351 1.00 0.00 PRO +ATOM 2757 HA PRO 194 16.490 -13.915 -3.230 1.00 0.00 PRO +ATOM 2758 CB PRO 194 17.768 -15.277 -4.362 1.00 0.00 PRO +ATOM 2759 HB1 PRO 194 17.821 -14.516 -5.163 1.00 0.00 PRO +ATOM 2760 HB2 PRO 194 17.627 -16.280 -4.824 1.00 0.00 PRO +ATOM 2761 CG PRO 194 19.039 -15.299 -3.512 1.00 0.00 PRO +ATOM 2762 HG1 PRO 194 19.864 -15.857 -4.003 1.00 0.00 PRO +ATOM 2763 HG2 PRO 194 19.359 -14.252 -3.314 1.00 0.00 PRO +ATOM 2764 C PRO 194 15.311 -15.557 -3.769 1.00 0.00 PRO +ATOM 2765 O PRO 194 15.071 -16.771 -3.620 1.00 0.00 PRO +ATOM 2766 N SER 195 14.407 -14.724 -4.289 1.00 0.00 PRO +ATOM 2767 HN SER 195 14.575 -13.732 -4.337 1.00 0.00 PRO +ATOM 2768 CA SER 195 13.171 -15.168 -4.902 1.00 0.00 PRO +ATOM 2769 HA SER 195 12.694 -15.832 -4.197 1.00 0.00 PRO +ATOM 2770 CB SER 195 12.181 -14.023 -5.196 1.00 0.00 PRO +ATOM 2771 HB1 SER 195 11.272 -14.396 -5.718 1.00 0.00 PRO +ATOM 2772 HB2 SER 195 12.679 -13.260 -5.837 1.00 0.00 PRO +ATOM 2773 OG SER 195 11.767 -13.427 -3.969 1.00 0.00 PRO +ATOM 2774 HG1 SER 195 11.524 -12.512 -4.178 1.00 0.00 PRO +ATOM 2775 C SER 195 13.407 -15.962 -6.171 1.00 0.00 PRO +ATOM 2776 O SER 195 14.306 -15.704 -6.951 1.00 0.00 PRO +ATOM 2777 N SER 196 12.566 -16.991 -6.399 1.00 0.00 PRO +ATOM 2778 HN SER 196 11.842 -17.215 -5.763 1.00 0.00 PRO +ATOM 2779 CA SER 196 12.808 -17.938 -7.477 1.00 0.00 PRO +ATOM 2780 HA SER 196 13.871 -18.031 -7.659 1.00 0.00 PRO +ATOM 2781 CB SER 196 12.239 -19.331 -7.107 1.00 0.00 PRO +ATOM 2782 HB1 SER 196 12.473 -20.073 -7.902 1.00 0.00 PRO +ATOM 2783 HB2 SER 196 11.130 -19.274 -7.008 1.00 0.00 PRO +ATOM 2784 OG SER 196 12.786 -19.779 -5.864 1.00 0.00 PRO +ATOM 2785 HG1 SER 196 13.743 -19.878 -6.000 1.00 0.00 PRO +ATOM 2786 C SER 196 12.151 -17.509 -8.772 1.00 0.00 PRO +ATOM 2787 O SER 196 12.470 -18.017 -9.843 1.00 0.00 PRO +ATOM 2788 N ASN 197 11.218 -16.539 -8.689 1.00 0.00 PRO +ATOM 2789 HN ASN 197 10.964 -16.143 -7.811 1.00 0.00 PRO +ATOM 2790 CA ASN 197 10.451 -16.045 -9.816 1.00 0.00 PRO +ATOM 2791 HA ASN 197 10.781 -16.525 -10.726 1.00 0.00 PRO +ATOM 2792 CB ASN 197 8.937 -16.342 -9.599 1.00 0.00 PRO +ATOM 2793 HB1 ASN 197 8.835 -17.435 -9.453 1.00 0.00 PRO +ATOM 2794 HB2 ASN 197 8.371 -16.044 -10.509 1.00 0.00 PRO +ATOM 2795 CG ASN 197 8.300 -15.674 -8.380 1.00 0.00 PRO +ATOM 2796 OD1 ASN 197 8.994 -15.233 -7.434 1.00 0.00 PRO +ATOM 2797 ND2 ASN 197 6.958 -15.594 -8.368 1.00 0.00 PRO +ATOM 2798 HD21 ASN 197 6.480 -15.190 -7.594 1.00 0.00 PRO +ATOM 2799 HD22 ASN 197 6.438 -15.893 -9.183 1.00 0.00 PRO +ATOM 2800 C ASN 197 10.655 -14.560 -10.025 1.00 0.00 PRO +ATOM 2801 O ASN 197 10.017 -13.975 -10.904 1.00 0.00 PRO +ATOM 2802 N ASN 198 11.534 -13.913 -9.253 1.00 0.00 PRO +ATOM 2803 HN ASN 198 12.096 -14.403 -8.589 1.00 0.00 PRO +ATOM 2804 CA ASN 198 11.729 -12.486 -9.332 1.00 0.00 PRO +ATOM 2805 HA ASN 198 11.456 -12.142 -10.323 1.00 0.00 PRO +ATOM 2806 CB ASN 198 10.861 -11.752 -8.267 1.00 0.00 PRO +ATOM 2807 HB1 ASN 198 11.207 -12.032 -7.255 1.00 0.00 PRO +ATOM 2808 HB2 ASN 198 9.820 -12.115 -8.378 1.00 0.00 PRO +ATOM 2809 CG ASN 198 10.879 -10.223 -8.374 1.00 0.00 PRO +ATOM 2810 OD1 ASN 198 11.836 -9.613 -8.869 1.00 0.00 PRO +ATOM 2811 ND2 ASN 198 9.792 -9.575 -7.904 1.00 0.00 PRO +ATOM 2812 HD21 ASN 198 9.734 -8.587 -8.054 1.00 0.00 PRO +ATOM 2813 HD22 ASN 198 8.980 -10.092 -7.647 1.00 0.00 PRO +ATOM 2814 C ASN 198 13.218 -12.249 -9.162 1.00 0.00 PRO +ATOM 2815 O ASN 198 13.882 -12.800 -8.305 1.00 0.00 PRO +ATOM 2816 N ALA 199 13.770 -11.395 -10.044 1.00 0.00 PRO +ATOM 2817 HN ALA 199 13.174 -10.921 -10.680 1.00 0.00 PRO +ATOM 2818 CA ALA 199 15.187 -11.190 -10.166 1.00 0.00 PRO +ATOM 2819 HA ALA 199 15.724 -12.052 -9.793 1.00 0.00 PRO +ATOM 2820 CB ALA 199 15.492 -10.979 -11.658 1.00 0.00 PRO +ATOM 2821 HB1 ALA 199 14.936 -10.098 -12.042 1.00 0.00 PRO +ATOM 2822 HB2 ALA 199 15.170 -11.874 -12.234 1.00 0.00 PRO +ATOM 2823 HB3 ALA 199 16.575 -10.822 -11.836 1.00 0.00 PRO +ATOM 2824 C ALA 199 15.663 -9.976 -9.392 1.00 0.00 PRO +ATOM 2825 O ALA 199 16.827 -9.607 -9.475 1.00 0.00 PRO +ATOM 2826 N ASN 200 14.764 -9.331 -8.617 1.00 0.00 PRO +ATOM 2827 HN ASN 200 13.801 -9.617 -8.626 1.00 0.00 PRO +ATOM 2828 CA ASN 200 15.096 -8.152 -7.846 1.00 0.00 PRO +ATOM 2829 HA ASN 200 16.166 -8.008 -7.825 1.00 0.00 PRO +ATOM 2830 CB ASN 200 14.398 -6.908 -8.461 1.00 0.00 PRO +ATOM 2831 HB1 ASN 200 14.546 -6.009 -7.827 1.00 0.00 PRO +ATOM 2832 HB2 ASN 200 13.306 -7.093 -8.566 1.00 0.00 PRO +ATOM 2833 CG ASN 200 14.961 -6.607 -9.844 1.00 0.00 PRO +ATOM 2834 OD1 ASN 200 14.279 -6.636 -10.874 1.00 0.00 PRO +ATOM 2835 ND2 ASN 200 16.269 -6.292 -9.901 1.00 0.00 PRO +ATOM 2836 HD21 ASN 200 16.602 -6.048 -10.818 1.00 0.00 PRO +ATOM 2837 HD22 ASN 200 16.846 -6.439 -9.110 1.00 0.00 PRO +ATOM 2838 C ASN 200 14.708 -8.270 -6.378 1.00 0.00 PRO +ATOM 2839 O ASN 200 14.936 -7.349 -5.605 1.00 0.00 PRO +ATOM 2840 N THR 201 14.165 -9.429 -5.943 1.00 0.00 PRO +ATOM 2841 HN THR 201 14.055 -10.220 -6.534 1.00 0.00 PRO +ATOM 2842 CA THR 201 13.654 -9.585 -4.582 1.00 0.00 PRO +ATOM 2843 HA THR 201 14.017 -8.777 -3.965 1.00 0.00 PRO +ATOM 2844 CB THR 201 12.123 -9.605 -4.441 1.00 0.00 PRO +ATOM 2845 HB THR 201 11.833 -9.669 -3.363 1.00 0.00 PRO +ATOM 2846 OG1 THR 201 11.498 -10.686 -5.127 1.00 0.00 PRO +ATOM 2847 HG1 THR 201 10.556 -10.533 -5.010 1.00 0.00 PRO +ATOM 2848 CG2 THR 201 11.548 -8.302 -4.999 1.00 0.00 PRO +ATOM 2849 HG21 THR 201 11.798 -8.160 -6.071 1.00 0.00 PRO +ATOM 2850 HG22 THR 201 11.956 -7.447 -4.424 1.00 0.00 PRO +ATOM 2851 HG23 THR 201 10.443 -8.265 -4.900 1.00 0.00 PRO +ATOM 2852 C THR 201 14.191 -10.848 -3.963 1.00 0.00 PRO +ATOM 2853 O THR 201 14.619 -11.788 -4.626 1.00 0.00 PRO +ATOM 2854 N GLY 202 14.173 -10.877 -2.624 1.00 0.00 PRO +ATOM 2855 HN GLY 202 13.827 -10.113 -2.081 1.00 0.00 PRO +ATOM 2856 CA GLY 202 14.434 -12.060 -1.845 1.00 0.00 PRO +ATOM 2857 HA1 GLY 202 15.492 -12.130 -1.641 1.00 0.00 PRO +ATOM 2858 HA2 GLY 202 14.003 -12.927 -2.323 1.00 0.00 PRO +ATOM 2859 C GLY 202 13.715 -11.874 -0.559 1.00 0.00 PRO +ATOM 2860 O GLY 202 13.003 -10.882 -0.377 1.00 0.00 PRO +ATOM 2861 N ILE 203 13.886 -12.815 0.364 1.00 0.00 PRO +ATOM 2862 HN ILE 203 14.468 -13.606 0.155 1.00 0.00 PRO +ATOM 2863 CA ILE 203 13.266 -12.786 1.670 1.00 0.00 PRO +ATOM 2864 HA ILE 203 12.772 -11.838 1.837 1.00 0.00 PRO +ATOM 2865 CB ILE 203 12.252 -13.920 1.841 1.00 0.00 PRO +ATOM 2866 HB ILE 203 12.745 -14.883 1.571 1.00 0.00 PRO +ATOM 2867 CG2 ILE 203 11.773 -14.015 3.308 1.00 0.00 PRO +ATOM 2868 HG21 ILE 203 11.313 -13.060 3.624 1.00 0.00 PRO +ATOM 2869 HG22 ILE 203 12.609 -14.254 3.997 1.00 0.00 PRO +ATOM 2870 HG23 ILE 203 11.016 -14.818 3.428 1.00 0.00 PRO +ATOM 2871 CG1 ILE 203 11.066 -13.706 0.864 1.00 0.00 PRO +ATOM 2872 HG11 ILE 203 11.456 -13.612 -0.174 1.00 0.00 PRO +ATOM 2873 HG12 ILE 203 10.577 -12.740 1.118 1.00 0.00 PRO +ATOM 2874 CD ILE 203 10.031 -14.839 0.881 1.00 0.00 PRO +ATOM 2875 HD1 ILE 203 9.524 -14.905 1.868 1.00 0.00 PRO +ATOM 2876 HD2 ILE 203 10.521 -15.815 0.676 1.00 0.00 PRO +ATOM 2877 HD3 ILE 203 9.249 -14.669 0.114 1.00 0.00 PRO +ATOM 2878 C ILE 203 14.390 -12.894 2.673 1.00 0.00 PRO +ATOM 2879 O ILE 203 15.137 -13.860 2.675 1.00 0.00 PRO +ATOM 2880 N GLY 204 14.547 -11.858 3.531 1.00 0.00 PRO +ATOM 2881 HN GLY 204 13.947 -11.056 3.469 1.00 0.00 PRO +ATOM 2882 CA GLY 204 15.533 -11.851 4.597 1.00 0.00 PRO +ATOM 2883 HA1 GLY 204 15.756 -10.816 4.808 1.00 0.00 PRO +ATOM 2884 HA2 GLY 204 16.417 -12.384 4.280 1.00 0.00 PRO +ATOM 2885 C GLY 204 15.079 -12.484 5.880 1.00 0.00 PRO +ATOM 2886 O GLY 204 14.002 -13.121 5.987 1.00 0.00 PRO +ATOM 2887 N GLY 205 15.885 -12.331 6.930 1.00 0.00 PRO +ATOM 2888 HN GLY 205 16.737 -11.798 6.826 1.00 0.00 PRO +ATOM 2889 CA GLY 205 15.645 -12.927 8.237 1.00 0.00 PRO +ATOM 2890 HA1 GLY 205 16.598 -12.994 8.736 1.00 0.00 PRO +ATOM 2891 HA2 GLY 205 15.175 -13.891 8.102 1.00 0.00 PRO +ATOM 2892 C GLY 205 14.752 -12.111 9.124 1.00 0.00 PRO +ATOM 2893 O GLY 205 14.113 -12.654 10.035 1.00 0.00 PRO +ATOM 2894 N HSD 206 14.690 -10.793 8.912 1.00 0.00 PRO +ATOM 2895 HN HSD 206 15.223 -10.376 8.165 1.00 0.00 PRO +ATOM 2896 CA HSD 206 13.889 -9.879 9.699 1.00 0.00 PRO +ATOM 2897 HA HSD 206 13.482 -10.385 10.566 1.00 0.00 PRO +ATOM 2898 CB HSD 206 14.705 -8.647 10.160 1.00 0.00 PRO +ATOM 2899 HB1 HSD 206 14.072 -7.969 10.772 1.00 0.00 PRO +ATOM 2900 HB2 HSD 206 15.048 -8.090 9.259 1.00 0.00 PRO +ATOM 2901 ND1 HSD 206 17.103 -8.318 10.922 1.00 0.00 PRO +ATOM 2902 HD1 HSD 206 17.304 -7.536 10.329 1.00 0.00 PRO +ATOM 2903 CG HSD 206 15.917 -9.009 10.973 1.00 0.00 PRO +ATOM 2904 CE1 HSD 206 17.977 -8.961 11.738 1.00 0.00 PRO +ATOM 2905 HE1 HSD 206 18.987 -8.613 11.936 1.00 0.00 PRO +ATOM 2906 NE2 HSD 206 17.437 -10.028 12.286 1.00 0.00 PRO +ATOM 2907 CD2 HSD 206 16.130 -10.053 11.829 1.00 0.00 PRO +ATOM 2908 HD2 HSD 206 15.442 -10.814 12.171 1.00 0.00 PRO +ATOM 2909 C HSD 206 12.728 -9.371 8.880 1.00 0.00 PRO +ATOM 2910 O HSD 206 12.794 -9.326 7.650 1.00 0.00 PRO +ATOM 2911 N GLY 207 11.642 -8.964 9.559 1.00 0.00 PRO +ATOM 2912 HN GLY 207 11.620 -9.059 10.556 1.00 0.00 PRO +ATOM 2913 CA GLY 207 10.499 -8.286 8.955 1.00 0.00 PRO +ATOM 2914 HA1 GLY 207 9.638 -8.929 9.047 1.00 0.00 PRO +ATOM 2915 HA2 GLY 207 10.725 -8.013 7.937 1.00 0.00 PRO +ATOM 2916 C GLY 207 10.220 -7.014 9.708 1.00 0.00 PRO +ATOM 2917 O GLY 207 10.867 -6.704 10.691 1.00 0.00 PRO +ATOM 2918 N SER 208 9.218 -6.236 9.242 1.00 0.00 PRO +ATOM 2919 HN SER 208 8.705 -6.508 8.433 1.00 0.00 PRO +ATOM 2920 CA SER 208 8.900 -4.954 9.864 1.00 0.00 PRO +ATOM 2921 HA SER 208 9.293 -4.918 10.871 1.00 0.00 PRO +ATOM 2922 CB SER 208 9.524 -3.801 9.028 1.00 0.00 PRO +ATOM 2923 HB1 SER 208 9.031 -3.751 8.030 1.00 0.00 PRO +ATOM 2924 HB2 SER 208 10.593 -4.058 8.857 1.00 0.00 PRO +ATOM 2925 OG SER 208 9.476 -2.518 9.664 1.00 0.00 PRO +ATOM 2926 HG1 SER 208 9.386 -1.890 8.923 1.00 0.00 PRO +ATOM 2927 C SER 208 7.398 -4.799 9.980 1.00 0.00 PRO +ATOM 2928 O SER 208 6.710 -4.471 8.998 1.00 0.00 PRO +ATOM 2929 N CYS 209 6.827 -5.026 11.169 1.00 0.00 PRO +ATOM 2930 HN CYS 209 7.410 -5.186 11.972 1.00 0.00 PRO +ATOM 2931 CA CYS 209 5.396 -4.981 11.430 1.00 0.00 PRO +ATOM 2932 HA CYS 209 4.848 -5.295 10.552 1.00 0.00 PRO +ATOM 2933 CB CYS 209 5.000 -5.848 12.665 1.00 0.00 PRO +ATOM 2934 HB1 CYS 209 3.953 -5.630 12.961 1.00 0.00 PRO +ATOM 2935 HB2 CYS 209 5.640 -5.550 13.525 1.00 0.00 PRO +ATOM 2936 SG CYS 209 5.118 -7.653 12.472 1.00 0.00 PRO +ATOM 2937 C CYS 209 4.958 -3.569 11.789 1.00 0.00 PRO +ATOM 2938 O CYS 209 5.651 -2.871 12.510 1.00 0.00 PRO +ATOM 2939 N CYS 210 3.756 -3.153 11.320 1.00 0.00 PRO +ATOM 2940 HN CYS 210 3.260 -3.659 10.614 1.00 0.00 PRO +ATOM 2941 CA CYS 210 3.012 -2.079 11.955 1.00 0.00 PRO +ATOM 2942 HA CYS 210 3.004 -2.286 13.017 1.00 0.00 PRO +ATOM 2943 CB CYS 210 3.571 -0.640 11.761 1.00 0.00 PRO +ATOM 2944 HB1 CYS 210 4.605 -0.640 12.153 1.00 0.00 PRO +ATOM 2945 HB2 CYS 210 3.001 0.069 12.395 1.00 0.00 PRO +ATOM 2946 SG CYS 210 3.588 -0.011 10.060 1.00 0.00 PRO +ATOM 2947 C CYS 210 1.568 -2.131 11.517 1.00 0.00 PRO +ATOM 2948 O CYS 210 1.216 -2.835 10.568 1.00 0.00 PRO +ATOM 2949 N SER 211 0.682 -1.407 12.226 1.00 0.00 PRO +ATOM 2950 HN SER 211 1.010 -0.849 12.989 1.00 0.00 PRO +ATOM 2951 CA SER 211 -0.725 -1.256 11.863 1.00 0.00 PRO +ATOM 2952 HA SER 211 -1.147 -2.249 11.770 1.00 0.00 PRO +ATOM 2953 CB SER 211 -1.540 -0.460 12.911 1.00 0.00 PRO +ATOM 2954 HB1 SER 211 -2.606 -0.385 12.598 1.00 0.00 PRO +ATOM 2955 HB2 SER 211 -1.119 0.569 12.994 1.00 0.00 PRO +ATOM 2956 OG SER 211 -1.484 -1.095 14.191 1.00 0.00 PRO +ATOM 2957 HG1 SER 211 -0.541 -1.152 14.388 1.00 0.00 PRO +ATOM 2958 C SER 211 -0.935 -0.561 10.529 1.00 0.00 PRO +ATOM 2959 O SER 211 -0.180 0.337 10.157 1.00 0.00 PRO +ATOM 2960 N GLU 212 -1.998 -0.954 9.805 1.00 0.00 PRO +ATOM 2961 HN GLU 212 -2.642 -1.643 10.135 1.00 0.00 PRO +ATOM 2962 CA GLU 212 -2.195 -0.559 8.429 1.00 0.00 PRO +ATOM 2963 HA GLU 212 -1.694 0.381 8.239 1.00 0.00 PRO +ATOM 2964 CB GLU 212 -1.594 -1.626 7.490 1.00 0.00 PRO +ATOM 2965 HB1 GLU 212 -1.920 -2.635 7.828 1.00 0.00 PRO +ATOM 2966 HB2 GLU 212 -0.488 -1.585 7.620 1.00 0.00 PRO +ATOM 2967 CG GLU 212 -1.933 -1.521 5.986 1.00 0.00 PRO +ATOM 2968 HG1 GLU 212 -1.799 -0.482 5.617 1.00 0.00 PRO +ATOM 2969 HG2 GLU 212 -2.972 -1.842 5.765 1.00 0.00 PRO +ATOM 2970 CD GLU 212 -0.985 -2.427 5.206 1.00 0.00 PRO +ATOM 2971 OE1 GLU 212 -0.867 -3.638 5.565 1.00 0.00 PRO +ATOM 2972 OE2 GLU 212 -0.284 -1.900 4.308 1.00 0.00 PRO +ATOM 2973 C GLU 212 -3.657 -0.323 8.130 1.00 0.00 PRO +ATOM 2974 O GLU 212 -4.547 -1.002 8.649 1.00 0.00 PRO +ATOM 2975 N MET 213 -3.948 0.707 7.323 1.00 0.00 PRO +ATOM 2976 HN MET 213 -3.192 1.232 6.912 1.00 0.00 PRO +ATOM 2977 CA MET 213 -5.281 1.007 6.867 1.00 0.00 PRO +ATOM 2978 HA MET 213 -5.977 0.239 7.178 1.00 0.00 PRO +ATOM 2979 CB MET 213 -5.725 2.410 7.371 1.00 0.00 PRO +ATOM 2980 HB1 MET 213 -5.047 3.179 6.947 1.00 0.00 PRO +ATOM 2981 HB2 MET 213 -5.575 2.466 8.466 1.00 0.00 PRO +ATOM 2982 CG MET 213 -7.176 2.784 7.013 1.00 0.00 PRO +ATOM 2983 HG1 MET 213 -7.275 2.825 5.906 1.00 0.00 PRO +ATOM 2984 HG2 MET 213 -7.364 3.813 7.390 1.00 0.00 PRO +ATOM 2985 SD MET 213 -8.412 1.652 7.713 1.00 0.00 PRO +ATOM 2986 CE MET 213 -9.222 1.209 6.160 1.00 0.00 PRO +ATOM 2987 HE1 MET 213 -8.539 0.605 5.526 1.00 0.00 PRO +ATOM 2988 HE2 MET 213 -9.520 2.108 5.582 1.00 0.00 PRO +ATOM 2989 HE3 MET 213 -10.127 0.590 6.340 1.00 0.00 PRO +ATOM 2990 C MET 213 -5.272 1.052 5.356 1.00 0.00 PRO +ATOM 2991 O MET 213 -4.835 2.042 4.770 1.00 0.00 PRO +ATOM 2992 N ASP 214 -5.834 0.028 4.688 1.00 0.00 PRO +ATOM 2993 HN ASP 214 -6.181 -0.801 5.135 1.00 0.00 PRO +ATOM 2994 CA ASP 214 -6.030 0.063 3.257 1.00 0.00 PRO +ATOM 2995 HA ASP 214 -5.225 0.619 2.798 1.00 0.00 PRO +ATOM 2996 CB ASP 214 -6.103 -1.342 2.629 1.00 0.00 PRO +ATOM 2997 HB1 ASP 214 -6.657 -1.332 1.664 1.00 0.00 PRO +ATOM 2998 HB2 ASP 214 -6.578 -2.073 3.305 1.00 0.00 PRO +ATOM 2999 CG ASP 214 -4.709 -1.801 2.267 1.00 0.00 PRO +ATOM 3000 OD1 ASP 214 -4.076 -1.059 1.457 1.00 0.00 PRO +ATOM 3001 OD2 ASP 214 -4.306 -2.894 2.691 1.00 0.00 PRO +ATOM 3002 C ASP 214 -7.294 0.814 2.953 1.00 0.00 PRO +ATOM 3003 O ASP 214 -8.418 0.309 3.045 1.00 0.00 PRO +ATOM 3004 N ILE 215 -7.151 2.095 2.585 1.00 0.00 PRO +ATOM 3005 HN ILE 215 -6.225 2.472 2.558 1.00 0.00 PRO +ATOM 3006 CA ILE 215 -8.230 2.892 2.054 1.00 0.00 PRO +ATOM 3007 HA ILE 215 -9.058 2.848 2.751 1.00 0.00 PRO +ATOM 3008 CB ILE 215 -7.800 4.342 1.818 1.00 0.00 PRO +ATOM 3009 HB ILE 215 -6.980 4.350 1.062 1.00 0.00 PRO +ATOM 3010 CG2 ILE 215 -8.967 5.168 1.234 1.00 0.00 PRO +ATOM 3011 HG21 ILE 215 -9.858 5.075 1.886 1.00 0.00 PRO +ATOM 3012 HG22 ILE 215 -9.235 4.815 0.216 1.00 0.00 PRO +ATOM 3013 HG23 ILE 215 -8.673 6.235 1.159 1.00 0.00 PRO +ATOM 3014 CG1 ILE 215 -7.209 5.003 3.086 1.00 0.00 PRO +ATOM 3015 HG11 ILE 215 -6.762 5.973 2.772 1.00 0.00 PRO +ATOM 3016 HG12 ILE 215 -6.374 4.383 3.481 1.00 0.00 PRO +ATOM 3017 CD ILE 215 -8.229 5.256 4.199 1.00 0.00 PRO +ATOM 3018 HD1 ILE 215 -8.738 4.307 4.477 1.00 0.00 PRO +ATOM 3019 HD2 ILE 215 -8.995 5.991 3.879 1.00 0.00 PRO +ATOM 3020 HD3 ILE 215 -7.715 5.654 5.101 1.00 0.00 PRO +ATOM 3021 C ILE 215 -8.732 2.316 0.735 1.00 0.00 PRO +ATOM 3022 O ILE 215 -9.911 2.244 0.457 1.00 0.00 PRO +ATOM 3023 N TRP 216 -7.753 1.940 -0.114 1.00 0.00 PRO +ATOM 3024 HN TRP 216 -6.792 1.973 0.146 1.00 0.00 PRO +ATOM 3025 CA TRP 216 -8.029 1.563 -1.466 1.00 0.00 PRO +ATOM 3026 HA TRP 216 -9.008 1.116 -1.545 1.00 0.00 PRO +ATOM 3027 CB TRP 216 -7.870 2.833 -2.343 1.00 0.00 PRO +ATOM 3028 HB1 TRP 216 -6.810 3.166 -2.294 1.00 0.00 PRO +ATOM 3029 HB2 TRP 216 -8.472 3.624 -1.850 1.00 0.00 PRO +ATOM 3030 CG TRP 216 -8.296 2.750 -3.772 1.00 0.00 PRO +ATOM 3031 CD1 TRP 216 -7.503 2.867 -4.884 1.00 0.00 PRO +ATOM 3032 HD1 TRP 216 -6.418 2.873 -4.855 1.00 0.00 PRO +ATOM 3033 NE1 TRP 216 -8.292 2.871 -6.012 1.00 0.00 PRO +ATOM 3034 HE1 TRP 216 -7.982 2.756 -6.929 1.00 0.00 PRO +ATOM 3035 CE2 TRP 216 -9.602 2.719 -5.649 1.00 0.00 PRO +ATOM 3036 CD2 TRP 216 -9.647 2.629 -4.240 1.00 0.00 PRO +ATOM 3037 CE3 TRP 216 -10.871 2.450 -3.597 1.00 0.00 PRO +ATOM 3038 HE3 TRP 216 -10.928 2.327 -2.526 1.00 0.00 PRO +ATOM 3039 CZ3 TRP 216 -12.021 2.340 -4.379 1.00 0.00 PRO +ATOM 3040 HZ3 TRP 216 -12.966 2.115 -3.900 1.00 0.00 PRO +ATOM 3041 CZ2 TRP 216 -10.749 2.633 -6.424 1.00 0.00 PRO +ATOM 3042 HZ2 TRP 216 -10.714 2.659 -7.500 1.00 0.00 PRO +ATOM 3043 CH2 TRP 216 -11.964 2.429 -5.766 1.00 0.00 PRO +ATOM 3044 HH2 TRP 216 -12.870 2.292 -6.340 1.00 0.00 PRO +ATOM 3045 C TRP 216 -7.000 0.549 -1.900 1.00 0.00 PRO +ATOM 3046 O TRP 216 -5.812 0.775 -1.814 1.00 0.00 PRO +ATOM 3047 N GLU 217 -7.501 -0.567 -2.444 1.00 0.00 PRO +ATOM 3048 HN GLU 217 -8.475 -0.750 -2.429 1.00 0.00 PRO +ATOM 3049 CA GLU 217 -6.718 -1.494 -3.211 1.00 0.00 PRO +ATOM 3050 HA GLU 217 -5.806 -1.048 -3.583 1.00 0.00 PRO +ATOM 3051 CB GLU 217 -6.458 -2.797 -2.438 1.00 0.00 PRO +ATOM 3052 HB1 GLU 217 -6.037 -3.561 -3.132 1.00 0.00 PRO +ATOM 3053 HB2 GLU 217 -7.432 -3.194 -2.058 1.00 0.00 PRO +ATOM 3054 CG GLU 217 -5.522 -2.613 -1.242 1.00 0.00 PRO +ATOM 3055 HG1 GLU 217 -5.964 -1.933 -0.475 1.00 0.00 PRO +ATOM 3056 HG2 GLU 217 -4.545 -2.167 -1.540 1.00 0.00 PRO +ATOM 3057 CD GLU 217 -5.287 -3.942 -0.615 1.00 0.00 PRO +ATOM 3058 OE1 GLU 217 -6.152 -4.588 0.065 1.00 0.00 PRO +ATOM 3059 OE2 GLU 217 -4.075 -4.497 -0.867 1.00 0.00 PRO +ATOM 3060 HE2 GLU 217 -3.925 -5.179 -0.215 1.00 0.00 PRO +ATOM 3061 C GLU 217 -7.631 -1.799 -4.354 1.00 0.00 PRO +ATOM 3062 O GLU 217 -8.729 -2.284 -4.139 1.00 0.00 PRO +ATOM 3063 N ALA 218 -7.237 -1.477 -5.595 1.00 0.00 PRO +ATOM 3064 HN ALA 218 -6.336 -1.096 -5.788 1.00 0.00 PRO +ATOM 3065 CA ALA 218 -8.169 -1.672 -6.667 1.00 0.00 PRO +ATOM 3066 HA ALA 218 -8.663 -2.628 -6.529 1.00 0.00 PRO +ATOM 3067 CB ALA 218 -9.235 -0.554 -6.721 1.00 0.00 PRO +ATOM 3068 HB1 ALA 218 -8.776 0.415 -6.995 1.00 0.00 PRO +ATOM 3069 HB2 ALA 218 -9.721 -0.437 -5.729 1.00 0.00 PRO +ATOM 3070 HB3 ALA 218 -10.032 -0.800 -7.454 1.00 0.00 PRO +ATOM 3071 C ALA 218 -7.497 -1.744 -8.006 1.00 0.00 PRO +ATOM 3072 O ALA 218 -6.381 -1.267 -8.249 1.00 0.00 PRO +ATOM 3073 N ASN 219 -8.236 -2.329 -8.941 1.00 0.00 PRO +ATOM 3074 HN ASN 219 -9.110 -2.747 -8.669 1.00 0.00 PRO +ATOM 3075 CA ASN 219 -7.976 -2.247 -10.347 1.00 0.00 PRO +ATOM 3076 HA ASN 219 -7.337 -1.395 -10.538 1.00 0.00 PRO +ATOM 3077 CB ASN 219 -7.272 -3.527 -10.886 1.00 0.00 PRO +ATOM 3078 HB1 ASN 219 -6.261 -3.537 -10.428 1.00 0.00 PRO +ATOM 3079 HB2 ASN 219 -7.138 -3.488 -11.983 1.00 0.00 PRO +ATOM 3080 CG ASN 219 -7.994 -4.839 -10.542 1.00 0.00 PRO +ATOM 3081 OD1 ASN 219 -9.201 -4.893 -10.390 1.00 0.00 PRO +ATOM 3082 ND2 ASN 219 -7.182 -5.935 -10.440 1.00 0.00 PRO +ATOM 3083 HD21 ASN 219 -7.561 -6.837 -10.254 1.00 0.00 PRO +ATOM 3084 HD22 ASN 219 -6.191 -5.805 -10.465 1.00 0.00 PRO +ATOM 3085 C ASN 219 -9.318 -1.901 -10.967 1.00 0.00 PRO +ATOM 3086 O ASN 219 -10.216 -1.384 -10.310 1.00 0.00 PRO +ATOM 3087 N SER 220 -9.494 -2.144 -12.278 1.00 0.00 PRO +ATOM 3088 HN SER 220 -8.750 -2.497 -12.839 1.00 0.00 PRO +ATOM 3089 CA SER 220 -10.762 -1.850 -12.927 1.00 0.00 PRO +ATOM 3090 HA SER 220 -11.125 -0.906 -12.541 1.00 0.00 PRO +ATOM 3091 CB SER 220 -10.628 -1.696 -14.469 1.00 0.00 PRO +ATOM 3092 HB1 SER 220 -9.897 -0.880 -14.666 1.00 0.00 PRO +ATOM 3093 HB2 SER 220 -11.602 -1.390 -14.910 1.00 0.00 PRO +ATOM 3094 OG SER 220 -10.165 -2.881 -15.122 1.00 0.00 PRO +ATOM 3095 HG1 SER 220 -9.247 -3.003 -14.823 1.00 0.00 PRO +ATOM 3096 C SER 220 -11.853 -2.867 -12.638 1.00 0.00 PRO +ATOM 3097 O SER 220 -13.017 -2.611 -12.939 1.00 0.00 PRO +ATOM 3098 N ILE 221 -11.501 -4.036 -12.062 1.00 0.00 PRO +ATOM 3099 HN ILE 221 -10.561 -4.198 -11.755 1.00 0.00 PRO +ATOM 3100 CA ILE 221 -12.417 -5.143 -11.861 1.00 0.00 PRO +ATOM 3101 HA ILE 221 -13.277 -5.023 -12.501 1.00 0.00 PRO +ATOM 3102 CB ILE 221 -11.741 -6.475 -12.206 1.00 0.00 PRO +ATOM 3103 HB ILE 221 -10.853 -6.621 -11.543 1.00 0.00 PRO +ATOM 3104 CG2 ILE 221 -12.707 -7.657 -11.949 1.00 0.00 PRO +ATOM 3105 HG21 ILE 221 -13.674 -7.489 -12.464 1.00 0.00 PRO +ATOM 3106 HG22 ILE 221 -12.899 -7.779 -10.861 1.00 0.00 PRO +ATOM 3107 HG23 ILE 221 -12.262 -8.603 -12.320 1.00 0.00 PRO +ATOM 3108 CG1 ILE 221 -11.212 -6.475 -13.668 1.00 0.00 PRO +ATOM 3109 HG11 ILE 221 -10.766 -7.469 -13.872 1.00 0.00 PRO +ATOM 3110 HG12 ILE 221 -10.386 -5.734 -13.757 1.00 0.00 PRO +ATOM 3111 CD ILE 221 -12.269 -6.182 -14.740 1.00 0.00 PRO +ATOM 3112 HD1 ILE 221 -12.695 -5.167 -14.594 1.00 0.00 PRO +ATOM 3113 HD2 ILE 221 -13.093 -6.926 -14.694 1.00 0.00 PRO +ATOM 3114 HD3 ILE 221 -11.815 -6.217 -15.753 1.00 0.00 PRO +ATOM 3115 C ILE 221 -12.975 -5.155 -10.446 1.00 0.00 PRO +ATOM 3116 O ILE 221 -14.184 -5.271 -10.260 1.00 0.00 PRO +ATOM 3117 N SER 222 -12.108 -4.995 -9.425 1.00 0.00 PRO +ATOM 3118 HN SER 222 -11.130 -4.852 -9.587 1.00 0.00 PRO +ATOM 3119 CA SER 222 -12.518 -5.104 -8.031 1.00 0.00 PRO +ATOM 3120 HA SER 222 -13.570 -4.869 -7.948 1.00 0.00 PRO +ATOM 3121 CB SER 222 -12.274 -6.512 -7.415 1.00 0.00 PRO +ATOM 3122 HB1 SER 222 -12.549 -6.518 -6.337 1.00 0.00 PRO +ATOM 3123 HB2 SER 222 -11.196 -6.774 -7.503 1.00 0.00 PRO +ATOM 3124 OG SER 222 -13.056 -7.521 -8.062 1.00 0.00 PRO +ATOM 3125 HG1 SER 222 -13.131 -8.247 -7.418 1.00 0.00 PRO +ATOM 3126 C SER 222 -11.799 -4.077 -7.182 1.00 0.00 PRO +ATOM 3127 O SER 222 -10.811 -3.473 -7.615 1.00 0.00 PRO +ATOM 3128 N GLU 223 -12.310 -3.837 -5.960 1.00 0.00 PRO +ATOM 3129 HN GLU 223 -13.098 -4.337 -5.602 1.00 0.00 PRO +ATOM 3130 CA GLU 223 -11.771 -2.889 -5.006 1.00 0.00 PRO +ATOM 3131 HA GLU 223 -10.703 -2.862 -5.142 1.00 0.00 PRO +ATOM 3132 CB GLU 223 -12.361 -1.458 -5.173 1.00 0.00 PRO +ATOM 3133 HB1 GLU 223 -12.105 -1.158 -6.215 1.00 0.00 PRO +ATOM 3134 HB2 GLU 223 -11.834 -0.744 -4.504 1.00 0.00 PRO +ATOM 3135 CG GLU 223 -13.907 -1.324 -5.010 1.00 0.00 PRO +ATOM 3136 HG1 GLU 223 -14.392 -2.315 -5.118 1.00 0.00 PRO +ATOM 3137 HG2 GLU 223 -14.265 -0.692 -5.852 1.00 0.00 PRO +ATOM 3138 CD GLU 223 -14.464 -0.638 -3.754 1.00 0.00 PRO +ATOM 3139 OE1 GLU 223 -13.678 -0.136 -2.874 1.00 0.00 PRO +ATOM 3140 OE2 GLU 223 -15.694 -0.504 -3.664 1.00 0.00 PRO +ATOM 3141 C GLU 223 -12.028 -3.414 -3.605 1.00 0.00 PRO +ATOM 3142 O GLU 223 -12.875 -4.278 -3.407 1.00 0.00 PRO +ATOM 3143 N ALA 224 -11.257 -2.929 -2.611 1.00 0.00 PRO +ATOM 3144 HN ALA 224 -10.550 -2.253 -2.792 1.00 0.00 PRO +ATOM 3145 CA ALA 224 -11.386 -3.360 -1.239 1.00 0.00 PRO +ATOM 3146 HA ALA 224 -12.427 -3.585 -1.049 1.00 0.00 PRO +ATOM 3147 CB ALA 224 -10.533 -4.617 -0.957 1.00 0.00 PRO +ATOM 3148 HB1 ALA 224 -9.454 -4.409 -1.118 1.00 0.00 PRO +ATOM 3149 HB2 ALA 224 -10.835 -5.438 -1.641 1.00 0.00 PRO +ATOM 3150 HB3 ALA 224 -10.668 -4.973 0.087 1.00 0.00 PRO +ATOM 3151 C ALA 224 -11.010 -2.237 -0.282 1.00 0.00 PRO +ATOM 3152 O ALA 224 -10.278 -1.300 -0.624 1.00 0.00 PRO +ATOM 3153 N LEU 225 -11.564 -2.306 0.940 1.00 0.00 PRO +ATOM 3154 HN LEU 225 -12.169 -3.078 1.139 1.00 0.00 PRO +ATOM 3155 CA LEU 225 -11.334 -1.396 2.041 1.00 0.00 PRO +ATOM 3156 HA LEU 225 -10.453 -0.796 1.856 1.00 0.00 PRO +ATOM 3157 CB LEU 225 -12.604 -0.512 2.230 1.00 0.00 PRO +ATOM 3158 HB1 LEU 225 -13.478 -1.197 2.143 1.00 0.00 PRO +ATOM 3159 HB2 LEU 225 -12.652 0.189 1.371 1.00 0.00 PRO +ATOM 3160 CG LEU 225 -12.761 0.268 3.556 1.00 0.00 PRO +ATOM 3161 HG LEU 225 -12.708 -0.458 4.404 1.00 0.00 PRO +ATOM 3162 CD1 LEU 225 -11.655 1.308 3.757 1.00 0.00 PRO +ATOM 3163 HD11 LEU 225 -11.659 2.056 2.943 1.00 0.00 PRO +ATOM 3164 HD12 LEU 225 -10.665 0.806 3.756 1.00 0.00 PRO +ATOM 3165 HD13 LEU 225 -11.783 1.828 4.729 1.00 0.00 PRO +ATOM 3166 CD2 LEU 225 -14.145 0.935 3.630 1.00 0.00 PRO +ATOM 3167 HD21 LEU 225 -14.937 0.161 3.546 1.00 0.00 PRO +ATOM 3168 HD22 LEU 225 -14.264 1.662 2.800 1.00 0.00 PRO +ATOM 3169 HD23 LEU 225 -14.266 1.462 4.599 1.00 0.00 PRO +ATOM 3170 C LEU 225 -11.074 -2.234 3.280 1.00 0.00 PRO +ATOM 3171 O LEU 225 -11.973 -2.939 3.737 1.00 0.00 PRO +ATOM 3172 N THR 226 -9.850 -2.181 3.845 1.00 0.00 PRO +ATOM 3173 HN THR 226 -9.135 -1.586 3.474 1.00 0.00 PRO +ATOM 3174 CA THR 226 -9.416 -3.170 4.833 1.00 0.00 PRO +ATOM 3175 HA THR 226 -10.278 -3.706 5.210 1.00 0.00 PRO +ATOM 3176 CB THR 226 -8.490 -4.234 4.242 1.00 0.00 PRO +ATOM 3177 HB THR 226 -7.453 -3.853 4.086 1.00 0.00 PRO +ATOM 3178 OG1 THR 226 -8.965 -4.687 2.983 1.00 0.00 PRO +ATOM 3179 HG1 THR 226 -8.242 -5.230 2.634 1.00 0.00 PRO +ATOM 3180 CG2 THR 226 -8.447 -5.442 5.177 1.00 0.00 PRO +ATOM 3181 HG21 THR 226 -9.458 -5.851 5.361 1.00 0.00 PRO +ATOM 3182 HG22 THR 226 -7.980 -5.168 6.144 1.00 0.00 PRO +ATOM 3183 HG23 THR 226 -7.825 -6.247 4.729 1.00 0.00 PRO +ATOM 3184 C THR 226 -8.700 -2.513 5.995 1.00 0.00 PRO +ATOM 3185 O THR 226 -7.634 -1.880 5.786 1.00 0.00 PRO +ATOM 3186 N PRO 227 -9.141 -2.565 7.241 1.00 0.00 PRO +ATOM 3187 CD PRO 227 -10.566 -2.663 7.585 1.00 0.00 PRO +ATOM 3188 HD1 PRO 227 -10.972 -3.651 7.286 1.00 0.00 PRO +ATOM 3189 HD2 PRO 227 -11.120 -1.851 7.065 1.00 0.00 PRO +ATOM 3190 CA PRO 227 -8.318 -2.215 8.389 1.00 0.00 PRO +ATOM 3191 HA PRO 227 -7.585 -1.461 8.130 1.00 0.00 PRO +ATOM 3192 CB PRO 227 -9.337 -1.715 9.427 1.00 0.00 PRO +ATOM 3193 HB1 PRO 227 -9.505 -0.630 9.260 1.00 0.00 PRO +ATOM 3194 HB2 PRO 227 -9.000 -1.864 10.473 1.00 0.00 PRO +ATOM 3195 CG PRO 227 -10.627 -2.477 9.104 1.00 0.00 PRO +ATOM 3196 HG1 PRO 227 -10.603 -3.480 9.585 1.00 0.00 PRO +ATOM 3197 HG2 PRO 227 -11.535 -1.934 9.430 1.00 0.00 PRO +ATOM 3198 C PRO 227 -7.572 -3.435 8.913 1.00 0.00 PRO +ATOM 3199 O PRO 227 -8.130 -4.526 8.947 1.00 0.00 PRO +ATOM 3200 N HSD 228 -6.312 -3.247 9.359 1.00 0.00 PRO +ATOM 3201 HN HSD 228 -5.864 -2.357 9.272 1.00 0.00 PRO +ATOM 3202 CA HSD 228 -5.486 -4.314 9.901 1.00 0.00 PRO +ATOM 3203 HA HSD 228 -6.047 -5.237 9.951 1.00 0.00 PRO +ATOM 3204 CB HSD 228 -4.264 -4.585 9.005 1.00 0.00 PRO +ATOM 3205 HB1 HSD 228 -3.568 -5.309 9.480 1.00 0.00 PRO +ATOM 3206 HB2 HSD 228 -3.715 -3.641 8.808 1.00 0.00 PRO +ATOM 3207 ND1 HSD 228 -4.611 -6.492 7.387 1.00 0.00 PRO +ATOM 3208 HD1 HSD 228 -4.247 -7.211 7.982 1.00 0.00 PRO +ATOM 3209 CG HSD 228 -4.676 -5.145 7.691 1.00 0.00 PRO +ATOM 3210 CE1 HSD 228 -4.935 -6.610 6.083 1.00 0.00 PRO +ATOM 3211 HE1 HSD 228 -4.933 -7.557 5.536 1.00 0.00 PRO +ATOM 3212 NE2 HSD 228 -5.202 -5.447 5.540 1.00 0.00 PRO +ATOM 3213 CD2 HSD 228 -5.013 -4.522 6.536 1.00 0.00 PRO +ATOM 3214 HD2 HSD 228 -5.115 -3.464 6.311 1.00 0.00 PRO +ATOM 3215 C HSD 228 -4.955 -3.943 11.275 1.00 0.00 PRO +ATOM 3216 O HSD 228 -4.140 -3.011 11.386 1.00 0.00 PRO +ATOM 3217 N PRO 229 -5.334 -4.601 12.363 1.00 0.00 PRO +ATOM 3218 CD PRO 229 -6.539 -5.430 12.448 1.00 0.00 PRO +ATOM 3219 HD1 PRO 229 -6.473 -6.313 11.771 1.00 0.00 PRO +ATOM 3220 HD2 PRO 229 -7.417 -4.806 12.179 1.00 0.00 PRO +ATOM 3221 CA PRO 229 -4.763 -4.332 13.665 1.00 0.00 PRO +ATOM 3222 HA PRO 229 -4.495 -3.288 13.760 1.00 0.00 PRO +ATOM 3223 CB PRO 229 -5.870 -4.756 14.649 1.00 0.00 PRO +ATOM 3224 HB1 PRO 229 -6.562 -3.902 14.806 1.00 0.00 PRO +ATOM 3225 HB2 PRO 229 -5.487 -5.087 15.636 1.00 0.00 PRO +ATOM 3226 CG PRO 229 -6.618 -5.870 13.912 1.00 0.00 PRO +ATOM 3227 HG1 PRO 229 -6.073 -6.834 14.015 1.00 0.00 PRO +ATOM 3228 HG2 PRO 229 -7.661 -6.007 14.259 1.00 0.00 PRO +ATOM 3229 C PRO 229 -3.511 -5.153 13.876 1.00 0.00 PRO +ATOM 3230 O PRO 229 -3.330 -6.235 13.307 1.00 0.00 PRO +ATOM 3231 N CYS 230 -2.612 -4.652 14.722 1.00 0.00 PRO +ATOM 3232 HN CYS 230 -2.748 -3.757 15.141 1.00 0.00 PRO +ATOM 3233 CA CYS 230 -1.453 -5.385 15.153 1.00 0.00 PRO +ATOM 3234 HA CYS 230 -1.587 -6.445 14.971 1.00 0.00 PRO +ATOM 3235 CB CYS 230 -0.141 -4.880 14.503 1.00 0.00 PRO +ATOM 3236 HB1 CYS 230 0.720 -5.482 14.864 1.00 0.00 PRO +ATOM 3237 HB2 CYS 230 0.033 -3.824 14.803 1.00 0.00 PRO +ATOM 3238 SG CYS 230 -0.193 -4.908 12.688 1.00 0.00 PRO +ATOM 3239 C CYS 230 -1.381 -5.180 16.640 1.00 0.00 PRO +ATOM 3240 O CYS 230 -1.865 -4.171 17.174 1.00 0.00 PRO +ATOM 3241 N THR 231 -0.785 -6.125 17.382 1.00 0.00 PRO +ATOM 3242 HN THR 231 -0.419 -6.958 16.949 1.00 0.00 PRO +ATOM 3243 CA THR 231 -0.644 -6.022 18.834 1.00 0.00 PRO +ATOM 3244 HA THR 231 -1.634 -5.859 19.234 1.00 0.00 PRO +ATOM 3245 CB THR 231 -0.101 -7.292 19.475 1.00 0.00 PRO +ATOM 3246 HB THR 231 -0.022 -7.176 20.583 1.00 0.00 PRO +ATOM 3247 OG1 THR 231 1.162 -7.665 18.937 1.00 0.00 PRO +ATOM 3248 HG1 THR 231 1.810 -7.005 19.217 1.00 0.00 PRO +ATOM 3249 CG2 THR 231 -1.075 -8.445 19.172 1.00 0.00 PRO +ATOM 3250 HG21 THR 231 -1.117 -8.657 18.084 1.00 0.00 PRO +ATOM 3251 HG22 THR 231 -2.100 -8.199 19.523 1.00 0.00 PRO +ATOM 3252 HG23 THR 231 -0.743 -9.372 19.685 1.00 0.00 PRO +ATOM 3253 C THR 231 0.193 -4.816 19.251 1.00 0.00 PRO +ATOM 3254 O THR 231 -0.126 -4.077 20.185 1.00 0.00 PRO +ATOM 3255 N THR 232 1.267 -4.564 18.481 1.00 0.00 PRO +ATOM 3256 HN THR 232 1.453 -5.142 17.691 1.00 0.00 PRO +ATOM 3257 CA THR 232 2.132 -3.405 18.607 1.00 0.00 PRO +ATOM 3258 HA THR 232 1.956 -2.918 19.555 1.00 0.00 PRO +ATOM 3259 CB THR 232 3.619 -3.728 18.509 1.00 0.00 PRO +ATOM 3260 HB THR 232 3.841 -4.249 17.546 1.00 0.00 PRO +ATOM 3261 OG1 THR 232 4.004 -4.574 19.585 1.00 0.00 PRO +ATOM 3262 HG1 THR 232 4.858 -4.982 19.302 1.00 0.00 PRO +ATOM 3263 CG2 THR 232 4.467 -2.453 18.629 1.00 0.00 PRO +ATOM 3264 HG21 THR 232 4.238 -1.910 19.568 1.00 0.00 PRO +ATOM 3265 HG22 THR 232 4.313 -1.780 17.760 1.00 0.00 PRO +ATOM 3266 HG23 THR 232 5.544 -2.728 18.647 1.00 0.00 PRO +ATOM 3267 C THR 232 1.729 -2.459 17.503 1.00 0.00 PRO +ATOM 3268 O THR 232 1.774 -2.799 16.320 1.00 0.00 PRO +ATOM 3269 N VAL 233 1.230 -1.262 17.859 1.00 0.00 PRO +ATOM 3270 HN VAL 233 1.208 -1.014 18.817 1.00 0.00 PRO +ATOM 3271 CA VAL 233 0.650 -0.307 16.920 1.00 0.00 PRO +ATOM 3272 HA VAL 233 -0.128 -0.819 16.375 1.00 0.00 PRO +ATOM 3273 CB VAL 233 0.008 0.860 17.681 1.00 0.00 PRO +ATOM 3274 HB VAL 233 0.759 1.307 18.373 1.00 0.00 PRO +ATOM 3275 CG1 VAL 233 -0.499 1.965 16.729 1.00 0.00 PRO +ATOM 3276 HG11 VAL 233 -1.159 1.524 15.950 1.00 0.00 PRO +ATOM 3277 HG12 VAL 233 0.333 2.487 16.210 1.00 0.00 PRO +ATOM 3278 HG13 VAL 233 -1.086 2.725 17.285 1.00 0.00 PRO +ATOM 3279 CG2 VAL 233 -1.180 0.312 18.497 1.00 0.00 PRO +ATOM 3280 HG21 VAL 233 -0.869 -0.480 19.201 1.00 0.00 PRO +ATOM 3281 HG22 VAL 233 -1.937 -0.127 17.807 1.00 0.00 PRO +ATOM 3282 HG23 VAL 233 -1.668 1.130 19.067 1.00 0.00 PRO +ATOM 3283 C VAL 233 1.619 0.208 15.869 1.00 0.00 PRO +ATOM 3284 O VAL 233 1.291 0.258 14.676 1.00 0.00 PRO +ATOM 3285 N GLY 234 2.838 0.588 16.285 1.00 0.00 PRO +ATOM 3286 HN GLY 234 3.127 0.380 17.217 1.00 0.00 PRO +ATOM 3287 CA GLY 234 3.828 1.210 15.419 1.00 0.00 PRO +ATOM 3288 HA1 GLY 234 4.373 1.903 16.024 1.00 0.00 PRO +ATOM 3289 HA2 GLY 234 3.353 1.679 14.568 1.00 0.00 PRO +ATOM 3290 C GLY 234 4.843 0.251 14.900 1.00 0.00 PRO +ATOM 3291 O GLY 234 4.731 -0.954 15.071 1.00 0.00 PRO +ATOM 3292 N GLN 235 5.899 0.803 14.271 1.00 0.00 PRO +ATOM 3293 HN GLN 235 5.932 1.782 14.099 1.00 0.00 PRO +ATOM 3294 CA GLN 235 6.985 0.042 13.688 1.00 0.00 PRO +ATOM 3295 HA GLN 235 6.549 -0.632 12.968 1.00 0.00 PRO +ATOM 3296 CB GLN 235 7.923 1.011 12.921 1.00 0.00 PRO +ATOM 3297 HB1 GLN 235 8.426 1.713 13.620 1.00 0.00 PRO +ATOM 3298 HB2 GLN 235 7.255 1.631 12.274 1.00 0.00 PRO +ATOM 3299 CG GLN 235 8.958 0.351 11.973 1.00 0.00 PRO +ATOM 3300 HG1 GLN 235 9.308 1.121 11.249 1.00 0.00 PRO +ATOM 3301 HG2 GLN 235 8.439 -0.438 11.390 1.00 0.00 PRO +ATOM 3302 CD GLN 235 10.196 -0.231 12.670 1.00 0.00 PRO +ATOM 3303 OE1 GLN 235 10.847 0.381 13.524 1.00 0.00 PRO +ATOM 3304 NE2 GLN 235 10.584 -1.451 12.244 1.00 0.00 PRO +ATOM 3305 HE21 GLN 235 11.439 -1.825 12.628 1.00 0.00 PRO +ATOM 3306 HE22 GLN 235 10.078 -1.925 11.526 1.00 0.00 PRO +ATOM 3307 C GLN 235 7.735 -0.814 14.713 1.00 0.00 PRO +ATOM 3308 O GLN 235 8.165 -0.361 15.764 1.00 0.00 PRO +ATOM 3309 N GLU 236 7.875 -2.115 14.378 1.00 0.00 PRO +ATOM 3310 HN GLU 236 7.459 -2.461 13.537 1.00 0.00 PRO +ATOM 3311 CA GLU 236 8.437 -3.118 15.246 1.00 0.00 PRO +ATOM 3312 HA GLU 236 9.162 -2.657 15.901 1.00 0.00 PRO +ATOM 3313 CB GLU 236 7.314 -3.807 16.076 1.00 0.00 PRO +ATOM 3314 HB1 GLU 236 6.555 -4.206 15.363 1.00 0.00 PRO +ATOM 3315 HB2 GLU 236 6.803 -3.015 16.668 1.00 0.00 PRO +ATOM 3316 CG GLU 236 7.755 -4.954 17.025 1.00 0.00 PRO +ATOM 3317 HG1 GLU 236 8.494 -4.583 17.759 1.00 0.00 PRO +ATOM 3318 HG2 GLU 236 8.204 -5.785 16.445 1.00 0.00 PRO +ATOM 3319 CD GLU 236 6.592 -5.552 17.822 1.00 0.00 PRO +ATOM 3320 OE1 GLU 236 5.660 -6.140 17.200 1.00 0.00 PRO +ATOM 3321 OE2 GLU 236 6.609 -5.437 19.070 1.00 0.00 PRO +ATOM 3322 C GLU 236 9.172 -4.120 14.382 1.00 0.00 PRO +ATOM 3323 O GLU 236 8.729 -4.460 13.275 1.00 0.00 PRO +ATOM 3324 N ILE 237 10.338 -4.614 14.823 1.00 0.00 PRO +ATOM 3325 HN ILE 237 10.681 -4.389 15.727 1.00 0.00 PRO +ATOM 3326 CA ILE 237 11.070 -5.654 14.119 1.00 0.00 PRO +ATOM 3327 HA ILE 237 10.832 -5.596 13.063 1.00 0.00 PRO +ATOM 3328 CB ILE 237 12.582 -5.500 14.260 1.00 0.00 PRO +ATOM 3329 HB ILE 237 12.795 -4.440 14.003 1.00 0.00 PRO +ATOM 3330 CG2 ILE 237 13.033 -5.780 15.713 1.00 0.00 PRO +ATOM 3331 HG21 ILE 237 12.933 -6.866 15.938 1.00 0.00 PRO +ATOM 3332 HG22 ILE 237 12.421 -5.216 16.445 1.00 0.00 PRO +ATOM 3333 HG23 ILE 237 14.099 -5.514 15.848 1.00 0.00 PRO +ATOM 3334 CG1 ILE 237 13.366 -6.356 13.234 1.00 0.00 PRO +ATOM 3335 HG11 ILE 237 12.895 -6.230 12.232 1.00 0.00 PRO +ATOM 3336 HG12 ILE 237 13.295 -7.436 13.503 1.00 0.00 PRO +ATOM 3337 CD ILE 237 14.846 -5.970 13.122 1.00 0.00 PRO +ATOM 3338 HD1 ILE 237 15.381 -6.190 14.070 1.00 0.00 PRO +ATOM 3339 HD2 ILE 237 14.959 -4.895 12.877 1.00 0.00 PRO +ATOM 3340 HD3 ILE 237 15.333 -6.565 12.319 1.00 0.00 PRO +ATOM 3341 C ILE 237 10.606 -7.009 14.614 1.00 0.00 PRO +ATOM 3342 O ILE 237 10.209 -7.178 15.766 1.00 0.00 PRO +ATOM 3343 N CYS 238 10.635 -8.011 13.735 1.00 0.00 PRO +ATOM 3344 HN CYS 238 11.008 -7.883 12.819 1.00 0.00 PRO +ATOM 3345 CA CYS 238 10.148 -9.340 14.026 1.00 0.00 PRO +ATOM 3346 HA CYS 238 10.222 -9.528 15.085 1.00 0.00 PRO +ATOM 3347 CB CYS 238 8.676 -9.539 13.590 1.00 0.00 PRO +ATOM 3348 HB1 CYS 238 8.027 -9.083 14.371 1.00 0.00 PRO +ATOM 3349 HB2 CYS 238 8.416 -10.619 13.545 1.00 0.00 PRO +ATOM 3350 SG CYS 238 8.325 -8.729 12.004 1.00 0.00 PRO +ATOM 3351 HG1 CYS 238 8.454 -7.491 12.465 1.00 0.00 PRO +ATOM 3352 C CYS 238 11.073 -10.335 13.362 1.00 0.00 PRO +ATOM 3353 O CYS 238 11.843 -9.993 12.484 1.00 0.00 PRO +ATOM 3354 N GLU 239 11.006 -11.606 13.831 1.00 0.00 PRO +ATOM 3355 HN GLU 239 10.316 -11.893 14.485 1.00 0.00 PRO +ATOM 3356 CA GLU 239 12.035 -12.576 13.540 1.00 0.00 PRO +ATOM 3357 HA GLU 239 12.847 -12.115 12.988 1.00 0.00 PRO +ATOM 3358 CB GLU 239 12.597 -13.178 14.857 1.00 0.00 PRO +ATOM 3359 HB1 GLU 239 13.399 -13.893 14.580 1.00 0.00 PRO +ATOM 3360 HB2 GLU 239 11.794 -13.739 15.387 1.00 0.00 PRO +ATOM 3361 CG GLU 239 13.201 -12.158 15.852 1.00 0.00 PRO +ATOM 3362 HG1 GLU 239 13.643 -12.695 16.717 1.00 0.00 PRO +ATOM 3363 HG2 GLU 239 12.425 -11.465 16.231 1.00 0.00 PRO +ATOM 3364 CD GLU 239 14.326 -11.343 15.235 1.00 0.00 PRO +ATOM 3365 OE1 GLU 239 15.311 -11.987 14.806 1.00 0.00 PRO +ATOM 3366 OE2 GLU 239 14.236 -10.084 15.269 1.00 0.00 PRO +ATOM 3367 C GLU 239 11.517 -13.734 12.711 1.00 0.00 PRO +ATOM 3368 O GLU 239 10.505 -14.380 13.058 1.00 0.00 PRO +ATOM 3369 N GLY 240 12.216 -14.092 11.623 1.00 0.00 PRO +ATOM 3370 HN GLY 240 12.970 -13.495 11.309 1.00 0.00 PRO +ATOM 3371 CA GLY 240 11.984 -15.276 10.794 1.00 0.00 PRO +ATOM 3372 HA1 GLY 240 12.283 -16.133 11.381 1.00 0.00 PRO +ATOM 3373 HA2 GLY 240 12.577 -15.155 9.903 1.00 0.00 PRO +ATOM 3374 C GLY 240 10.559 -15.497 10.352 1.00 0.00 PRO +ATOM 3375 O GLY 240 9.867 -14.585 9.916 1.00 0.00 PRO +ATOM 3376 N ASP 241 10.043 -16.729 10.485 1.00 0.00 PRO +ATOM 3377 HN ASP 241 10.613 -17.511 10.718 1.00 0.00 PRO +ATOM 3378 CA ASP 241 8.680 -17.055 10.093 1.00 0.00 PRO +ATOM 3379 HA ASP 241 8.373 -16.403 9.286 1.00 0.00 PRO +ATOM 3380 CB ASP 241 8.605 -18.525 9.597 1.00 0.00 PRO +ATOM 3381 HB1 ASP 241 7.566 -18.771 9.295 1.00 0.00 PRO +ATOM 3382 HB2 ASP 241 8.901 -19.225 10.406 1.00 0.00 PRO +ATOM 3383 CG ASP 241 9.547 -18.740 8.419 1.00 0.00 PRO +ATOM 3384 OD1 ASP 241 9.078 -18.607 7.219 1.00 0.00 PRO +ATOM 3385 OD2 ASP 241 10.745 -18.910 8.627 1.00 0.00 PRO +ATOM 3386 C ASP 241 7.724 -16.793 11.260 1.00 0.00 PRO +ATOM 3387 O ASP 241 6.531 -17.136 11.236 1.00 0.00 PRO +ATOM 3388 N GLY 242 8.211 -16.102 12.307 1.00 0.00 PRO +ATOM 3389 HN GLY 242 9.179 -15.830 12.296 1.00 0.00 PRO +ATOM 3390 CA GLY 242 7.427 -15.515 13.382 1.00 0.00 PRO +ATOM 3391 HA1 GLY 242 8.084 -15.363 14.224 1.00 0.00 PRO +ATOM 3392 HA2 GLY 242 6.578 -16.149 13.602 1.00 0.00 PRO +ATOM 3393 C GLY 242 6.910 -14.159 12.999 1.00 0.00 PRO +ATOM 3394 O GLY 242 6.048 -13.611 13.697 1.00 0.00 PRO +ATOM 3395 N CYS 243 7.425 -13.575 11.901 1.00 0.00 PRO +ATOM 3396 HN CYS 243 8.180 -14.022 11.418 1.00 0.00 PRO +ATOM 3397 CA CYS 243 6.928 -12.358 11.271 1.00 0.00 PRO +ATOM 3398 HA CYS 243 6.934 -11.566 12.005 1.00 0.00 PRO +ATOM 3399 CB CYS 243 7.794 -11.942 10.049 1.00 0.00 PRO +ATOM 3400 HB1 CYS 243 7.361 -11.023 9.591 1.00 0.00 PRO +ATOM 3401 HB2 CYS 243 7.741 -12.744 9.281 1.00 0.00 PRO +ATOM 3402 SG CYS 243 9.533 -11.616 10.476 1.00 0.00 PRO +ATOM 3403 HG1 CYS 243 9.859 -12.882 10.712 1.00 0.00 PRO +ATOM 3404 C CYS 243 5.502 -12.501 10.786 1.00 0.00 PRO +ATOM 3405 O CYS 243 4.678 -11.606 10.968 1.00 0.00 PRO +ATOM 3406 N GLY 244 5.180 -13.664 10.188 1.00 0.00 PRO +ATOM 3407 HN GLY 244 5.879 -14.368 10.089 1.00 0.00 PRO +ATOM 3408 CA GLY 244 3.914 -13.913 9.522 1.00 0.00 PRO +ATOM 3409 HA1 GLY 244 3.107 -13.557 10.148 1.00 0.00 PRO +ATOM 3410 HA2 GLY 244 3.866 -14.968 9.321 1.00 0.00 PRO +ATOM 3411 C GLY 244 3.790 -13.238 8.187 1.00 0.00 PRO +ATOM 3412 O GLY 244 4.783 -12.942 7.521 1.00 0.00 PRO +ATOM 3413 N GLY 245 2.527 -13.067 7.752 1.00 0.00 PRO +ATOM 3414 HN GLY 245 1.776 -13.412 8.322 1.00 0.00 PRO +ATOM 3415 CA GLY 245 2.150 -12.504 6.470 1.00 0.00 PRO +ATOM 3416 HA1 GLY 245 2.579 -11.515 6.417 1.00 0.00 PRO +ATOM 3417 HA2 GLY 245 1.072 -12.489 6.419 1.00 0.00 PRO +ATOM 3418 C GLY 245 2.635 -13.260 5.271 1.00 0.00 PRO +ATOM 3419 O GLY 245 2.949 -14.456 5.312 1.00 0.00 PRO +ATOM 3420 N THR 246 2.674 -12.565 4.136 1.00 0.00 PRO +ATOM 3421 HN THR 246 2.355 -11.614 4.176 1.00 0.00 PRO +ATOM 3422 CA THR 246 2.970 -13.089 2.804 1.00 0.00 PRO +ATOM 3423 HA THR 246 2.237 -13.849 2.584 1.00 0.00 PRO +ATOM 3424 CB THR 246 2.832 -11.987 1.768 1.00 0.00 PRO +ATOM 3425 HB THR 246 3.484 -11.116 2.026 1.00 0.00 PRO +ATOM 3426 OG1 THR 246 1.465 -11.585 1.754 1.00 0.00 PRO +ATOM 3427 HG1 THR 246 1.313 -11.000 2.513 1.00 0.00 PRO +ATOM 3428 CG2 THR 246 3.181 -12.457 0.346 1.00 0.00 PRO +ATOM 3429 HG21 THR 246 2.570 -13.338 0.065 1.00 0.00 PRO +ATOM 3430 HG22 THR 246 4.257 -12.713 0.245 1.00 0.00 PRO +ATOM 3431 HG23 THR 246 2.968 -11.641 -0.380 1.00 0.00 PRO +ATOM 3432 C THR 246 4.315 -13.764 2.678 1.00 0.00 PRO +ATOM 3433 O THR 246 4.475 -14.792 2.006 1.00 0.00 PRO +ATOM 3434 N TYR 247 5.329 -13.212 3.355 1.00 0.00 PRO +ATOM 3435 HN TYR 247 5.145 -12.423 3.940 1.00 0.00 PRO +ATOM 3436 CA TYR 247 6.710 -13.604 3.215 1.00 0.00 PRO +ATOM 3437 HA TYR 247 6.865 -14.026 2.229 1.00 0.00 PRO +ATOM 3438 CB TYR 247 7.633 -12.365 3.390 1.00 0.00 PRO +ATOM 3439 HB1 TYR 247 8.698 -12.648 3.240 1.00 0.00 PRO +ATOM 3440 HB2 TYR 247 7.517 -11.930 4.406 1.00 0.00 PRO +ATOM 3441 CG TYR 247 7.288 -11.313 2.368 1.00 0.00 PRO +ATOM 3442 CD1 TYR 247 7.801 -11.423 1.068 1.00 0.00 PRO +ATOM 3443 HD1 TYR 247 8.415 -12.267 0.798 1.00 0.00 PRO +ATOM 3444 CE1 TYR 247 7.529 -10.445 0.105 1.00 0.00 PRO +ATOM 3445 HE1 TYR 247 7.939 -10.529 -0.889 1.00 0.00 PRO +ATOM 3446 CZ TYR 247 6.727 -9.352 0.429 1.00 0.00 PRO +ATOM 3447 OH TYR 247 6.543 -8.366 -0.562 1.00 0.00 PRO +ATOM 3448 HH TYR 247 7.430 -8.024 -0.778 1.00 0.00 PRO +ATOM 3449 CD2 TYR 247 6.483 -10.202 2.691 1.00 0.00 PRO +ATOM 3450 HD2 TYR 247 6.080 -10.097 3.687 1.00 0.00 PRO +ATOM 3451 CE2 TYR 247 6.191 -9.230 1.716 1.00 0.00 PRO +ATOM 3452 HE2 TYR 247 5.574 -8.375 1.962 1.00 0.00 PRO +ATOM 3453 C TYR 247 7.136 -14.672 4.221 1.00 0.00 PRO +ATOM 3454 O TYR 247 8.310 -14.919 4.404 1.00 0.00 PRO +ATOM 3455 N SER 248 6.165 -15.331 4.904 1.00 0.00 PRO +ATOM 3456 HN SER 248 5.202 -15.112 4.766 1.00 0.00 PRO +ATOM 3457 CA SER 248 6.473 -16.406 5.838 1.00 0.00 PRO +ATOM 3458 HA SER 248 7.504 -16.718 5.722 1.00 0.00 PRO +ATOM 3459 CB SER 248 6.244 -15.997 7.315 1.00 0.00 PRO +ATOM 3460 HB1 SER 248 6.530 -16.827 7.998 1.00 0.00 PRO +ATOM 3461 HB2 SER 248 5.165 -15.771 7.478 1.00 0.00 PRO +ATOM 3462 OG SER 248 7.017 -14.835 7.634 1.00 0.00 PRO +ATOM 3463 HG1 SER 248 6.478 -14.085 7.317 1.00 0.00 PRO +ATOM 3464 C SER 248 5.643 -17.635 5.556 1.00 0.00 PRO +ATOM 3465 O SER 248 4.549 -17.545 4.951 1.00 0.00 PRO +ATOM 3466 N ASP 249 6.104 -18.835 5.948 1.00 0.00 PRO +ATOM 3467 HN ASP 249 6.990 -18.911 6.431 1.00 0.00 PRO +ATOM 3468 CA ASP 249 5.394 -20.092 5.721 1.00 0.00 PRO +ATOM 3469 HA ASP 249 5.148 -20.094 4.668 1.00 0.00 PRO +ATOM 3470 CB ASP 249 6.304 -21.341 5.970 1.00 0.00 PRO +ATOM 3471 HB1 ASP 249 7.291 -21.154 5.505 1.00 0.00 PRO +ATOM 3472 HB2 ASP 249 5.835 -22.203 5.454 1.00 0.00 PRO +ATOM 3473 CG ASP 249 6.540 -21.776 7.416 1.00 0.00 PRO +ATOM 3474 OD1 ASP 249 6.505 -20.941 8.332 1.00 0.00 PRO +ATOM 3475 OD2 ASP 249 6.895 -22.992 7.574 1.00 0.00 PRO +ATOM 3476 C ASP 249 4.057 -20.170 6.455 1.00 0.00 PRO +ATOM 3477 O ASP 249 3.042 -20.667 5.928 1.00 0.00 PRO +ATOM 3478 N ASN 250 4.023 -19.659 7.685 1.00 0.00 PRO +ATOM 3479 HN ASN 250 4.903 -19.368 8.073 1.00 0.00 PRO +ATOM 3480 CA ASN 250 2.852 -19.542 8.509 1.00 0.00 PRO +ATOM 3481 HA ASN 250 2.055 -20.145 8.099 1.00 0.00 PRO +ATOM 3482 CB ASN 250 3.174 -20.022 9.951 1.00 0.00 PRO +ATOM 3483 HB1 ASN 250 4.032 -19.437 10.344 1.00 0.00 PRO +ATOM 3484 HB2 ASN 250 3.471 -21.092 9.906 1.00 0.00 PRO +ATOM 3485 CG ASN 250 1.967 -19.875 10.872 1.00 0.00 PRO +ATOM 3486 OD1 ASN 250 0.840 -19.681 10.443 1.00 0.00 PRO +ATOM 3487 ND2 ASN 250 2.220 -19.920 12.205 1.00 0.00 PRO +ATOM 3488 HD21 ASN 250 1.433 -19.755 12.797 1.00 0.00 PRO +ATOM 3489 HD22 ASN 250 3.161 -19.964 12.512 1.00 0.00 PRO +ATOM 3490 C ASN 250 2.410 -18.085 8.476 1.00 0.00 PRO +ATOM 3491 O ASN 250 2.988 -17.216 9.092 1.00 0.00 PRO +ATOM 3492 N ARG 251 1.311 -17.832 7.728 1.00 0.00 PRO +ATOM 3493 HN ARG 251 0.845 -18.583 7.289 1.00 0.00 PRO +ATOM 3494 CA ARG 251 0.784 -16.504 7.493 1.00 0.00 PRO +ATOM 3495 HA ARG 251 1.593 -15.901 7.101 1.00 0.00 PRO +ATOM 3496 CB ARG 251 -0.319 -16.593 6.407 1.00 0.00 PRO +ATOM 3497 HB1 ARG 251 -1.117 -17.289 6.747 1.00 0.00 PRO +ATOM 3498 HB2 ARG 251 0.166 -17.026 5.503 1.00 0.00 PRO +ATOM 3499 CG ARG 251 -0.962 -15.247 6.015 1.00 0.00 PRO +ATOM 3500 HG1 ARG 251 -0.147 -14.513 5.826 1.00 0.00 PRO +ATOM 3501 HG2 ARG 251 -1.575 -14.873 6.865 1.00 0.00 PRO +ATOM 3502 CD ARG 251 -1.867 -15.321 4.772 1.00 0.00 PRO +ATOM 3503 HD1 ARG 251 -2.753 -15.965 4.977 1.00 0.00 PRO +ATOM 3504 HD2 ARG 251 -1.310 -15.760 3.909 1.00 0.00 PRO +ATOM 3505 NE ARG 251 -2.342 -13.951 4.449 1.00 0.00 PRO +ATOM 3506 HE ARG 251 -3.248 -13.606 4.823 1.00 0.00 PRO +ATOM 3507 CZ ARG 251 -1.762 -13.077 3.625 1.00 0.00 PRO +ATOM 3508 NH1 ARG 251 -0.647 -13.396 2.952 1.00 0.00 PRO +ATOM 3509 HH11 ARG 251 -0.250 -14.274 3.084 1.00 0.00 PRO +ATOM 3510 HH12 ARG 251 -0.249 -12.685 2.367 1.00 0.00 PRO +ATOM 3511 NH2 ARG 251 -2.273 -11.908 3.466 1.00 0.00 PRO +ATOM 3512 HH21 ARG 251 -3.085 -11.648 4.020 1.00 0.00 PRO +ATOM 3513 HH22 ARG 251 -1.844 -11.219 2.878 1.00 0.00 PRO +ATOM 3514 C ARG 251 0.303 -15.794 8.753 1.00 0.00 PRO +ATOM 3515 O ARG 251 0.521 -14.605 8.952 1.00 0.00 PRO +ATOM 3516 N TYR 252 -0.333 -16.537 9.675 1.00 0.00 PRO +ATOM 3517 HN TYR 252 -0.429 -17.520 9.549 1.00 0.00 PRO +ATOM 3518 CA TYR 252 -1.034 -15.968 10.817 1.00 0.00 PRO +ATOM 3519 HA TYR 252 -1.201 -14.909 10.656 1.00 0.00 PRO +ATOM 3520 CB TYR 252 -2.400 -16.672 11.013 1.00 0.00 PRO +ATOM 3521 HB1 TYR 252 -3.008 -16.146 11.782 1.00 0.00 PRO +ATOM 3522 HB2 TYR 252 -2.267 -17.732 11.322 1.00 0.00 PRO +ATOM 3523 CG TYR 252 -3.159 -16.641 9.712 1.00 0.00 PRO +ATOM 3524 CD1 TYR 252 -3.805 -15.463 9.308 1.00 0.00 PRO +ATOM 3525 HD1 TYR 252 -3.765 -14.579 9.926 1.00 0.00 PRO +ATOM 3526 CE1 TYR 252 -4.514 -15.416 8.104 1.00 0.00 PRO +ATOM 3527 HE1 TYR 252 -5.016 -14.502 7.822 1.00 0.00 PRO +ATOM 3528 CZ TYR 252 -4.589 -16.545 7.286 1.00 0.00 PRO +ATOM 3529 OH TYR 252 -5.338 -16.500 6.093 1.00 0.00 PRO +ATOM 3530 HH TYR 252 -5.690 -15.576 5.985 1.00 0.00 PRO +ATOM 3531 CD2 TYR 252 -3.228 -17.774 8.880 1.00 0.00 PRO +ATOM 3532 HD2 TYR 252 -2.730 -18.684 9.182 1.00 0.00 PRO +ATOM 3533 CE2 TYR 252 -3.934 -17.725 7.668 1.00 0.00 PRO +ATOM 3534 HE2 TYR 252 -3.990 -18.597 7.034 1.00 0.00 PRO +ATOM 3535 C TYR 252 -0.193 -16.113 12.074 1.00 0.00 PRO +ATOM 3536 O TYR 252 -0.675 -16.023 13.209 1.00 0.00 PRO +ATOM 3537 N GLY 253 1.121 -16.353 11.900 1.00 0.00 PRO +ATOM 3538 HN GLY 253 1.461 -16.429 10.959 1.00 0.00 PRO +ATOM 3539 CA GLY 253 2.075 -16.527 12.986 1.00 0.00 PRO +ATOM 3540 HA1 GLY 253 2.986 -16.905 12.545 1.00 0.00 PRO +ATOM 3541 HA2 GLY 253 1.651 -17.196 13.719 1.00 0.00 PRO +ATOM 3542 C GLY 253 2.440 -15.252 13.697 1.00 0.00 PRO +ATOM 3543 O GLY 253 2.830 -15.275 14.865 1.00 0.00 PRO +ATOM 3544 N GLY 254 2.348 -14.115 12.986 1.00 0.00 PRO +ATOM 3545 HN GLY 254 1.949 -14.133 12.071 1.00 0.00 PRO +ATOM 3546 CA GLY 254 2.837 -12.823 13.436 1.00 0.00 PRO +ATOM 3547 HA1 GLY 254 2.921 -12.201 12.558 1.00 0.00 PRO +ATOM 3548 HA2 GLY 254 3.788 -12.984 13.916 1.00 0.00 PRO +ATOM 3549 C GLY 254 2.010 -12.065 14.434 1.00 0.00 PRO +ATOM 3550 O GLY 254 0.935 -12.480 14.891 1.00 0.00 PRO +ATOM 3551 N THR 255 2.533 -10.881 14.801 1.00 0.00 PRO +ATOM 3552 HN THR 255 3.414 -10.568 14.441 1.00 0.00 PRO +ATOM 3553 CA THR 255 1.919 -9.917 15.706 1.00 0.00 PRO +ATOM 3554 HA THR 255 1.410 -10.461 16.487 1.00 0.00 PRO +ATOM 3555 CB THR 255 2.934 -8.966 16.354 1.00 0.00 PRO +ATOM 3556 HB THR 255 2.495 -7.968 16.597 1.00 0.00 PRO +ATOM 3557 OG1 THR 255 4.083 -8.792 15.534 1.00 0.00 PRO +ATOM 3558 HG1 THR 255 4.529 -7.990 15.862 1.00 0.00 PRO +ATOM 3559 CG2 THR 255 3.431 -9.602 17.659 1.00 0.00 PRO +ATOM 3560 HG21 THR 255 3.851 -10.611 17.467 1.00 0.00 PRO +ATOM 3561 HG22 THR 255 2.593 -9.698 18.380 1.00 0.00 PRO +ATOM 3562 HG23 THR 255 4.213 -8.958 18.117 1.00 0.00 PRO +ATOM 3563 C THR 255 0.865 -9.086 15.014 1.00 0.00 PRO +ATOM 3564 O THR 255 -0.028 -8.533 15.658 1.00 0.00 PRO +ATOM 3565 N CYS 256 0.925 -9.011 13.676 1.00 0.00 PRO +ATOM 3566 HN CYS 256 1.665 -9.465 13.185 1.00 0.00 PRO +ATOM 3567 CA CYS 256 -0.067 -8.359 12.849 1.00 0.00 PRO +ATOM 3568 HA CYS 256 -0.632 -7.655 13.440 1.00 0.00 PRO +ATOM 3569 CB CYS 256 0.573 -7.614 11.656 1.00 0.00 PRO +ATOM 3570 HB1 CYS 256 -0.193 -7.349 10.894 1.00 0.00 PRO +ATOM 3571 HB2 CYS 256 1.311 -8.278 11.156 1.00 0.00 PRO +ATOM 3572 SG CYS 256 1.375 -6.068 12.148 1.00 0.00 PRO +ATOM 3573 C CYS 256 -1.069 -9.348 12.311 1.00 0.00 PRO +ATOM 3574 O CYS 256 -0.822 -10.554 12.227 1.00 0.00 PRO +ATOM 3575 N ASP 257 -2.249 -8.842 11.948 1.00 0.00 PRO +ATOM 3576 HN ASP 257 -2.466 -7.872 12.073 1.00 0.00 PRO +ATOM 3577 CA ASP 257 -3.255 -9.552 11.205 1.00 0.00 PRO +ATOM 3578 HA ASP 257 -3.196 -10.611 11.399 1.00 0.00 PRO +ATOM 3579 CB ASP 257 -4.632 -9.037 11.677 1.00 0.00 PRO +ATOM 3580 HB1 ASP 257 -4.610 -7.924 11.680 1.00 0.00 PRO +ATOM 3581 HB2 ASP 257 -4.846 -9.377 12.709 1.00 0.00 PRO +ATOM 3582 CG ASP 257 -5.792 -9.441 10.789 1.00 0.00 PRO +ATOM 3583 OD1 ASP 257 -5.701 -10.520 10.107 1.00 0.00 PRO +ATOM 3584 OD2 ASP 257 -6.802 -8.739 10.836 1.00 0.00 PRO +ATOM 3585 C ASP 257 -3.021 -9.242 9.718 1.00 0.00 PRO +ATOM 3586 O ASP 257 -3.034 -8.070 9.376 1.00 0.00 PRO +ATOM 3587 N PRO 258 -2.809 -10.199 8.821 1.00 0.00 PRO +ATOM 3588 CD PRO 258 -2.486 -11.584 9.172 1.00 0.00 PRO +ATOM 3589 HD1 PRO 258 -3.395 -12.104 9.549 1.00 0.00 PRO +ATOM 3590 HD2 PRO 258 -1.682 -11.598 9.943 1.00 0.00 PRO +ATOM 3591 CA PRO 258 -2.387 -9.862 7.467 1.00 0.00 PRO +ATOM 3592 HA PRO 258 -1.950 -8.873 7.409 1.00 0.00 PRO +ATOM 3593 CB PRO 258 -1.402 -10.994 7.135 1.00 0.00 PRO +ATOM 3594 HB1 PRO 258 -0.406 -10.717 7.540 1.00 0.00 PRO +ATOM 3595 HB2 PRO 258 -1.301 -11.174 6.045 1.00 0.00 PRO +ATOM 3596 CG PRO 258 -1.971 -12.204 7.877 1.00 0.00 PRO +ATOM 3597 HG1 PRO 258 -2.830 -12.625 7.304 1.00 0.00 PRO +ATOM 3598 HG2 PRO 258 -1.217 -12.993 8.050 1.00 0.00 PRO +ATOM 3599 C PRO 258 -3.565 -9.911 6.522 1.00 0.00 PRO +ATOM 3600 O PRO 258 -3.359 -9.617 5.339 1.00 0.00 PRO +ATOM 3601 N ASP 259 -4.765 -10.309 6.968 1.00 0.00 PRO +ATOM 3602 HN ASP 259 -4.911 -10.546 7.931 1.00 0.00 PRO +ATOM 3603 CA ASP 259 -5.912 -10.437 6.085 1.00 0.00 PRO +ATOM 3604 HA ASP 259 -5.610 -10.369 5.049 1.00 0.00 PRO +ATOM 3605 CB ASP 259 -6.639 -11.802 6.306 1.00 0.00 PRO +ATOM 3606 HB1 ASP 259 -7.629 -11.770 5.802 1.00 0.00 PRO +ATOM 3607 HB2 ASP 259 -6.822 -11.952 7.389 1.00 0.00 PRO +ATOM 3608 CG ASP 259 -5.870 -13.004 5.755 1.00 0.00 PRO +ATOM 3609 OD1 ASP 259 -4.703 -12.885 5.295 1.00 0.00 PRO +ATOM 3610 OD2 ASP 259 -6.434 -14.137 5.809 1.00 0.00 PRO +ATOM 3611 C ASP 259 -6.851 -9.262 6.314 1.00 0.00 PRO +ATOM 3612 O ASP 259 -7.370 -8.686 5.346 1.00 0.00 PRO +ATOM 3613 N GLY 260 -7.021 -8.813 7.576 1.00 0.00 PRO +ATOM 3614 HN GLY 260 -6.575 -9.271 8.350 1.00 0.00 PRO +ATOM 3615 CA GLY 260 -7.945 -7.753 7.953 1.00 0.00 PRO +ATOM 3616 HA1 GLY 260 -7.709 -6.879 7.365 1.00 0.00 PRO +ATOM 3617 HA2 GLY 260 -7.817 -7.570 9.005 1.00 0.00 PRO +ATOM 3618 C GLY 260 -9.402 -8.069 7.754 1.00 0.00 PRO +ATOM 3619 O GLY 260 -9.796 -9.194 7.435 1.00 0.00 PRO +ATOM 3620 N CYS 261 -10.264 -7.075 7.983 1.00 0.00 PRO +ATOM 3621 HN CYS 261 -9.896 -6.181 8.228 1.00 0.00 PRO +ATOM 3622 CA CYS 261 -11.707 -7.191 7.833 1.00 0.00 PRO +ATOM 3623 HA CYS 261 -12.007 -8.228 7.747 1.00 0.00 PRO +ATOM 3624 CB CYS 261 -12.397 -6.540 9.071 1.00 0.00 PRO +ATOM 3625 HB1 CYS 261 -11.990 -5.516 9.202 1.00 0.00 PRO +ATOM 3626 HB2 CYS 261 -12.085 -7.140 9.953 1.00 0.00 PRO +ATOM 3627 SG CYS 261 -14.213 -6.448 9.028 1.00 0.00 PRO +ATOM 3628 C CYS 261 -12.084 -6.512 6.529 1.00 0.00 PRO +ATOM 3629 O CYS 261 -12.555 -5.377 6.516 1.00 0.00 PRO +ATOM 3630 N ASP 262 -11.773 -7.170 5.385 1.00 0.00 PRO +ATOM 3631 HN ASP 262 -11.470 -8.125 5.381 1.00 0.00 PRO +ATOM 3632 CA ASP 262 -11.914 -6.579 4.077 1.00 0.00 PRO +ATOM 3633 HA ASP 262 -11.525 -5.570 4.170 1.00 0.00 PRO +ATOM 3634 CB ASP 262 -11.018 -7.247 2.977 1.00 0.00 PRO +ATOM 3635 HB1 ASP 262 -9.977 -7.251 3.369 1.00 0.00 PRO +ATOM 3636 HB2 ASP 262 -11.026 -6.624 2.062 1.00 0.00 PRO +ATOM 3637 CG ASP 262 -11.344 -8.688 2.599 1.00 0.00 PRO +ATOM 3638 OD1 ASP 262 -11.258 -9.575 3.474 1.00 0.00 PRO +ATOM 3639 OD2 ASP 262 -11.594 -8.974 1.387 1.00 0.00 PRO +ATOM 3640 C ASP 262 -13.354 -6.396 3.640 1.00 0.00 PRO +ATOM 3641 O ASP 262 -14.209 -7.300 3.669 1.00 0.00 PRO +ATOM 3642 N TRP 263 -13.709 -5.198 3.185 1.00 0.00 PRO +ATOM 3643 HN TRP 263 -13.048 -4.437 3.241 1.00 0.00 PRO +ATOM 3644 CA TRP 263 -14.993 -4.965 2.578 1.00 0.00 PRO +ATOM 3645 HA TRP 263 -15.661 -5.803 2.744 1.00 0.00 PRO +ATOM 3646 CB TRP 263 -15.662 -3.684 3.143 1.00 0.00 PRO +ATOM 3647 HB1 TRP 263 -15.055 -2.794 2.875 1.00 0.00 PRO +ATOM 3648 HB2 TRP 263 -15.610 -3.792 4.251 1.00 0.00 PRO +ATOM 3649 CG TRP 263 -17.095 -3.472 2.752 1.00 0.00 PRO +ATOM 3650 CD1 TRP 263 -17.606 -3.306 1.486 1.00 0.00 PRO +ATOM 3651 HD1 TRP 263 -16.996 -3.272 0.590 1.00 0.00 PRO +ATOM 3652 NE1 TRP 263 -18.975 -3.208 1.551 1.00 0.00 PRO +ATOM 3653 HE1 TRP 263 -19.599 -3.140 0.800 1.00 0.00 PRO +ATOM 3654 CE2 TRP 263 -19.379 -3.297 2.850 1.00 0.00 PRO +ATOM 3655 CD2 TRP 263 -18.219 -3.440 3.647 1.00 0.00 PRO +ATOM 3656 CE3 TRP 263 -18.345 -3.515 5.033 1.00 0.00 PRO +ATOM 3657 HE3 TRP 263 -17.475 -3.647 5.659 1.00 0.00 PRO +ATOM 3658 CZ3 TRP 263 -19.624 -3.482 5.594 1.00 0.00 PRO +ATOM 3659 HZ3 TRP 263 -19.733 -3.581 6.666 1.00 0.00 PRO +ATOM 3660 CZ2 TRP 263 -20.648 -3.278 3.406 1.00 0.00 PRO +ATOM 3661 HZ2 TRP 263 -21.530 -3.218 2.788 1.00 0.00 PRO +ATOM 3662 CH2 TRP 263 -20.757 -3.384 4.794 1.00 0.00 PRO +ATOM 3663 HH2 TRP 263 -21.733 -3.410 5.260 1.00 0.00 PRO +ATOM 3664 C TRP 263 -14.747 -4.839 1.092 1.00 0.00 PRO +ATOM 3665 O TRP 263 -14.223 -3.845 0.610 1.00 0.00 PRO +ATOM 3666 N ASN 264 -15.168 -5.862 0.328 1.00 0.00 PRO +ATOM 3667 HN ASN 264 -15.548 -6.672 0.765 1.00 0.00 PRO +ATOM 3668 CA ASN 264 -15.092 -5.865 -1.116 1.00 0.00 PRO +ATOM 3669 HA ASN 264 -14.710 -4.924 -1.478 1.00 0.00 PRO +ATOM 3670 CB ASN 264 -14.083 -6.957 -1.592 1.00 0.00 PRO +ATOM 3671 HB1 ASN 264 -14.324 -7.911 -1.084 1.00 0.00 PRO +ATOM 3672 HB2 ASN 264 -13.074 -6.642 -1.248 1.00 0.00 PRO +ATOM 3673 CG ASN 264 -14.055 -7.227 -3.103 1.00 0.00 PRO +ATOM 3674 OD1 ASN 264 -14.990 -7.007 -3.854 1.00 0.00 PRO +ATOM 3675 ND2 ASN 264 -12.899 -7.786 -3.565 1.00 0.00 PRO +ATOM 3676 HD21 ASN 264 -12.819 -7.962 -4.539 1.00 0.00 PRO +ATOM 3677 HD22 ASN 264 -12.143 -7.941 -2.935 1.00 0.00 PRO +ATOM 3678 C ASN 264 -16.532 -6.077 -1.592 1.00 0.00 PRO +ATOM 3679 O ASN 264 -17.110 -7.109 -1.274 1.00 0.00 PRO +ATOM 3680 N PRO 265 -17.177 -5.169 -2.336 1.00 0.00 PRO +ATOM 3681 CD PRO 265 -16.729 -3.777 -2.473 1.00 0.00 PRO +ATOM 3682 HD1 PRO 265 -16.029 -3.707 -3.335 1.00 0.00 PRO +ATOM 3683 HD2 PRO 265 -16.207 -3.399 -1.564 1.00 0.00 PRO +ATOM 3684 CA PRO 265 -18.606 -5.303 -2.614 1.00 0.00 PRO +ATOM 3685 HA PRO 265 -19.116 -5.427 -1.670 1.00 0.00 PRO +ATOM 3686 CB PRO 265 -18.963 -3.990 -3.331 1.00 0.00 PRO +ATOM 3687 HB1 PRO 265 -20.028 -3.718 -3.199 1.00 0.00 PRO +ATOM 3688 HB2 PRO 265 -18.733 -4.067 -4.418 1.00 0.00 PRO +ATOM 3689 CG PRO 265 -18.005 -2.965 -2.719 1.00 0.00 PRO +ATOM 3690 HG1 PRO 265 -17.806 -2.100 -3.386 1.00 0.00 PRO +ATOM 3691 HG2 PRO 265 -18.400 -2.591 -1.750 1.00 0.00 PRO +ATOM 3692 C PRO 265 -18.946 -6.496 -3.485 1.00 0.00 PRO +ATOM 3693 O PRO 265 -20.034 -7.064 -3.319 1.00 0.00 PRO +ATOM 3694 N TYR 266 -18.057 -6.893 -4.420 1.00 0.00 PRO +ATOM 3695 HN TYR 266 -17.192 -6.385 -4.517 1.00 0.00 PRO +ATOM 3696 CA TYR 266 -18.222 -8.076 -5.252 1.00 0.00 PRO +ATOM 3697 HA TYR 266 -19.173 -7.987 -5.757 1.00 0.00 PRO +ATOM 3698 CB TYR 266 -17.067 -8.185 -6.289 1.00 0.00 PRO +ATOM 3699 HB1 TYR 266 -16.123 -8.541 -5.820 1.00 0.00 PRO +ATOM 3700 HB2 TYR 266 -16.855 -7.167 -6.684 1.00 0.00 PRO +ATOM 3701 CG TYR 266 -17.415 -9.093 -7.454 1.00 0.00 PRO +ATOM 3702 CD1 TYR 266 -17.378 -10.496 -7.345 1.00 0.00 PRO +ATOM 3703 HD1 TYR 266 -17.120 -10.950 -6.399 1.00 0.00 PRO +ATOM 3704 CE1 TYR 266 -17.663 -11.309 -8.454 1.00 0.00 PRO +ATOM 3705 HE1 TYR 266 -17.647 -12.382 -8.352 1.00 0.00 PRO +ATOM 3706 CZ TYR 266 -17.951 -10.728 -9.693 1.00 0.00 PRO +ATOM 3707 OH TYR 266 -18.203 -11.550 -10.811 1.00 0.00 PRO +ATOM 3708 HH TYR 266 -18.226 -12.451 -10.483 1.00 0.00 PRO +ATOM 3709 CD2 TYR 266 -17.729 -8.530 -8.704 1.00 0.00 PRO +ATOM 3710 HD2 TYR 266 -17.765 -7.457 -8.803 1.00 0.00 PRO +ATOM 3711 CE2 TYR 266 -17.987 -9.338 -9.819 1.00 0.00 PRO +ATOM 3712 HE2 TYR 266 -18.218 -8.887 -10.772 1.00 0.00 PRO +ATOM 3713 C TYR 266 -18.257 -9.333 -4.390 1.00 0.00 PRO +ATOM 3714 O TYR 266 -19.099 -10.214 -4.558 1.00 0.00 PRO +ATOM 3715 N ARG 267 -17.355 -9.398 -3.388 1.00 0.00 PRO +ATOM 3716 HN ARG 267 -16.752 -8.610 -3.243 1.00 0.00 PRO +ATOM 3717 CA ARG 267 -17.162 -10.528 -2.495 1.00 0.00 PRO +ATOM 3718 HA ARG 267 -17.077 -11.424 -3.092 1.00 0.00 PRO +ATOM 3719 CB ARG 267 -15.861 -10.300 -1.677 1.00 0.00 PRO +ATOM 3720 HB1 ARG 267 -16.011 -9.450 -0.974 1.00 0.00 PRO +ATOM 3721 HB2 ARG 267 -15.062 -10.000 -2.393 1.00 0.00 PRO +ATOM 3722 CG ARG 267 -15.359 -11.528 -0.887 1.00 0.00 PRO +ATOM 3723 HG1 ARG 267 -15.191 -12.355 -1.612 1.00 0.00 PRO +ATOM 3724 HG2 ARG 267 -16.151 -11.853 -0.175 1.00 0.00 PRO +ATOM 3725 CD ARG 267 -14.072 -11.261 -0.075 1.00 0.00 PRO +ATOM 3726 HD1 ARG 267 -14.269 -10.504 0.717 1.00 0.00 PRO +ATOM 3727 HD2 ARG 267 -13.249 -10.892 -0.728 1.00 0.00 PRO +ATOM 3728 NE ARG 267 -13.668 -12.580 0.505 1.00 0.00 PRO +ATOM 3729 HE ARG 267 -13.830 -13.419 0.018 1.00 0.00 PRO +ATOM 3730 CZ ARG 267 -13.100 -12.691 1.734 1.00 0.00 PRO +ATOM 3731 NH1 ARG 267 -12.771 -11.712 2.484 1.00 0.00 PRO +ATOM 3732 HH11 ARG 267 -12.396 -11.778 3.425 1.00 0.00 PRO +ATOM 3733 HH12 ARG 267 -12.737 -10.730 2.220 1.00 0.00 PRO +ATOM 3734 NH2 ARG 267 -12.901 -13.934 2.162 1.00 0.00 PRO +ATOM 3735 HH21 ARG 267 -13.214 -14.692 1.639 1.00 0.00 PRO +ATOM 3736 HH22 ARG 267 -12.471 -14.001 3.070 1.00 0.00 PRO +ATOM 3737 C ARG 267 -18.357 -10.710 -1.564 1.00 0.00 PRO +ATOM 3738 O ARG 267 -18.687 -11.810 -1.129 1.00 0.00 PRO +ATOM 3739 N LEU 268 -19.093 -9.609 -1.318 1.00 0.00 PRO +ATOM 3740 HN LEU 268 -18.777 -8.730 -1.674 1.00 0.00 PRO +ATOM 3741 CA LEU 268 -20.270 -9.578 -0.479 1.00 0.00 PRO +ATOM 3742 HA LEU 268 -20.247 -10.410 0.210 1.00 0.00 PRO +ATOM 3743 CB LEU 268 -20.280 -8.258 0.328 1.00 0.00 PRO +ATOM 3744 HB1 LEU 268 -21.225 -8.164 0.903 1.00 0.00 PRO +ATOM 3745 HB2 LEU 268 -20.215 -7.402 -0.378 1.00 0.00 PRO +ATOM 3746 CG LEU 268 -19.104 -8.157 1.324 1.00 0.00 PRO +ATOM 3747 HG LEU 268 -18.148 -8.372 0.788 1.00 0.00 PRO +ATOM 3748 CD1 LEU 268 -18.970 -6.735 1.886 1.00 0.00 PRO +ATOM 3749 HD11 LEU 268 -19.830 -6.475 2.534 1.00 0.00 PRO +ATOM 3750 HD12 LEU 268 -18.891 -5.995 1.065 1.00 0.00 PRO +ATOM 3751 HD13 LEU 268 -18.050 -6.654 2.504 1.00 0.00 PRO +ATOM 3752 CD2 LEU 268 -19.236 -9.185 2.458 1.00 0.00 PRO +ATOM 3753 HD21 LEU 268 -19.236 -10.221 2.067 1.00 0.00 PRO +ATOM 3754 HD22 LEU 268 -20.170 -9.016 3.032 1.00 0.00 PRO +ATOM 3755 HD23 LEU 268 -18.376 -9.097 3.157 1.00 0.00 PRO +ATOM 3756 C LEU 268 -21.550 -9.742 -1.294 1.00 0.00 PRO +ATOM 3757 O LEU 268 -22.657 -9.772 -0.776 1.00 0.00 PRO +ATOM 3758 N GLY 269 -21.406 -9.947 -2.624 1.00 0.00 PRO +ATOM 3759 HN GLY 269 -20.493 -9.860 -3.028 1.00 0.00 PRO +ATOM 3760 CA GLY 269 -22.469 -10.450 -3.483 1.00 0.00 PRO +ATOM 3761 HA1 GLY 269 -23.282 -10.835 -2.883 1.00 0.00 PRO +ATOM 3762 HA2 GLY 269 -22.033 -11.216 -4.110 1.00 0.00 PRO +ATOM 3763 C GLY 269 -23.081 -9.436 -4.404 1.00 0.00 PRO +ATOM 3764 O GLY 269 -23.983 -9.755 -5.163 1.00 0.00 PRO +ATOM 3765 N ASN 270 -22.609 -8.169 -4.370 1.00 0.00 PRO +ATOM 3766 HN ASN 270 -21.858 -7.917 -3.759 1.00 0.00 PRO +ATOM 3767 CA ASN 270 -23.082 -7.166 -5.305 1.00 0.00 PRO +ATOM 3768 HA ASN 270 -24.029 -7.486 -5.723 1.00 0.00 PRO +ATOM 3769 CB ASN 270 -23.316 -5.800 -4.605 1.00 0.00 PRO +ATOM 3770 HB1 ASN 270 -22.344 -5.347 -4.317 1.00 0.00 PRO +ATOM 3771 HB2 ASN 270 -23.907 -5.983 -3.684 1.00 0.00 PRO +ATOM 3772 CG ASN 270 -24.095 -4.840 -5.507 1.00 0.00 PRO +ATOM 3773 OD1 ASN 270 -24.391 -5.101 -6.671 1.00 0.00 PRO +ATOM 3774 ND2 ASN 270 -24.486 -3.685 -4.923 1.00 0.00 PRO +ATOM 3775 HD21 ASN 270 -24.926 -3.004 -5.526 1.00 0.00 PRO +ATOM 3776 HD22 ASN 270 -24.209 -3.490 -3.998 1.00 0.00 PRO +ATOM 3777 C ASN 270 -22.104 -7.062 -6.462 1.00 0.00 PRO +ATOM 3778 O ASN 270 -21.100 -6.345 -6.417 1.00 0.00 PRO +ATOM 3779 N THR 271 -22.397 -7.748 -7.570 1.00 0.00 PRO +ATOM 3780 HN THR 271 -23.214 -8.324 -7.617 1.00 0.00 PRO +ATOM 3781 CA THR 271 -21.454 -7.926 -8.668 1.00 0.00 PRO +ATOM 3782 HA THR 271 -20.441 -7.806 -8.308 1.00 0.00 PRO +ATOM 3783 CB THR 271 -21.601 -9.307 -9.287 1.00 0.00 PRO +ATOM 3784 HB THR 271 -20.891 -9.446 -10.140 1.00 0.00 PRO +ATOM 3785 OG1 THR 271 -22.941 -9.554 -9.709 1.00 0.00 PRO +ATOM 3786 HG1 THR 271 -23.122 -8.922 -10.410 1.00 0.00 PRO +ATOM 3787 CG2 THR 271 -21.271 -10.359 -8.222 1.00 0.00 PRO +ATOM 3788 HG21 THR 271 -22.023 -10.368 -7.406 1.00 0.00 PRO +ATOM 3789 HG22 THR 271 -20.273 -10.172 -7.774 1.00 0.00 PRO +ATOM 3790 HG23 THR 271 -21.260 -11.362 -8.696 1.00 0.00 PRO +ATOM 3791 C THR 271 -21.691 -6.907 -9.755 1.00 0.00 PRO +ATOM 3792 O THR 271 -21.091 -6.960 -10.835 1.00 0.00 PRO +ATOM 3793 N SER 272 -22.616 -5.970 -9.525 1.00 0.00 PRO +ATOM 3794 HN SER 272 -23.124 -5.998 -8.662 1.00 0.00 PRO +ATOM 3795 CA SER 272 -22.973 -4.936 -10.481 1.00 0.00 PRO +ATOM 3796 HA SER 272 -22.416 -5.057 -11.401 1.00 0.00 PRO +ATOM 3797 CB SER 272 -24.489 -4.961 -10.816 1.00 0.00 PRO +ATOM 3798 HB1 SER 272 -24.754 -4.135 -11.514 1.00 0.00 PRO +ATOM 3799 HB2 SER 272 -25.079 -4.823 -9.880 1.00 0.00 PRO +ATOM 3800 OG SER 272 -24.851 -6.208 -11.421 1.00 0.00 PRO +ATOM 3801 HG1 SER 272 -24.337 -6.265 -12.238 1.00 0.00 PRO +ATOM 3802 C SER 272 -22.624 -3.568 -9.947 1.00 0.00 PRO +ATOM 3803 O SER 272 -22.855 -2.560 -10.612 1.00 0.00 PRO +ATOM 3804 N PHE 273 -22.043 -3.473 -8.733 1.00 0.00 PRO +ATOM 3805 HN PHE 273 -21.828 -4.288 -8.199 1.00 0.00 PRO +ATOM 3806 CA PHE 273 -21.651 -2.193 -8.173 1.00 0.00 PRO +ATOM 3807 HA PHE 273 -22.496 -1.528 -8.296 1.00 0.00 PRO +ATOM 3808 CB PHE 273 -21.360 -2.314 -6.649 1.00 0.00 PRO +ATOM 3809 HB1 PHE 273 -20.514 -3.013 -6.463 1.00 0.00 PRO +ATOM 3810 HB2 PHE 273 -22.254 -2.709 -6.130 1.00 0.00 PRO +ATOM 3811 CG PHE 273 -21.040 -0.968 -6.040 1.00 0.00 PRO +ATOM 3812 CD1 PHE 273 -22.000 0.059 -6.085 1.00 0.00 PRO +ATOM 3813 HD1 PHE 273 -22.958 -0.125 -6.548 1.00 0.00 PRO +ATOM 3814 CE1 PHE 273 -21.723 1.320 -5.547 1.00 0.00 PRO +ATOM 3815 HE1 PHE 273 -22.462 2.107 -5.596 1.00 0.00 PRO +ATOM 3816 CZ PHE 273 -20.485 1.559 -4.942 1.00 0.00 PRO +ATOM 3817 HZ PHE 273 -20.269 2.530 -4.526 1.00 0.00 PRO +ATOM 3818 CD2 PHE 273 -19.800 -0.714 -5.431 1.00 0.00 PRO +ATOM 3819 HD2 PHE 273 -19.046 -1.486 -5.387 1.00 0.00 PRO +ATOM 3820 CE2 PHE 273 -19.521 0.544 -4.884 1.00 0.00 PRO +ATOM 3821 HE2 PHE 273 -18.557 0.725 -4.423 1.00 0.00 PRO +ATOM 3822 C PHE 273 -20.489 -1.517 -8.904 1.00 0.00 PRO +ATOM 3823 O PHE 273 -20.505 -0.325 -9.181 1.00 0.00 PRO +ATOM 3824 N TYR 274 -19.449 -2.289 -9.242 1.00 0.00 PRO +ATOM 3825 HN TYR 274 -19.466 -3.277 -9.126 1.00 0.00 PRO +ATOM 3826 CA TYR 274 -18.179 -1.722 -9.622 1.00 0.00 PRO +ATOM 3827 HA TYR 274 -18.306 -0.727 -10.033 1.00 0.00 PRO +ATOM 3828 CB TYR 274 -17.260 -1.683 -8.367 1.00 0.00 PRO +ATOM 3829 HB1 TYR 274 -17.140 -2.703 -7.950 1.00 0.00 PRO +ATOM 3830 HB2 TYR 274 -17.755 -1.072 -7.582 1.00 0.00 PRO +ATOM 3831 CG TYR 274 -15.887 -1.109 -8.604 1.00 0.00 PRO +ATOM 3832 CD1 TYR 274 -15.658 0.259 -8.385 1.00 0.00 PRO +ATOM 3833 HD1 TYR 274 -16.482 0.902 -8.114 1.00 0.00 PRO +ATOM 3834 CE1 TYR 274 -14.362 0.787 -8.461 1.00 0.00 PRO +ATOM 3835 HE1 TYR 274 -14.192 1.835 -8.273 1.00 0.00 PRO +ATOM 3836 CZ TYR 274 -13.284 -0.054 -8.754 1.00 0.00 PRO +ATOM 3837 OH TYR 274 -11.979 0.462 -8.818 1.00 0.00 PRO +ATOM 3838 HH TYR 274 -11.386 -0.282 -8.996 1.00 0.00 PRO +ATOM 3839 CD2 TYR 274 -14.794 -1.941 -8.908 1.00 0.00 PRO +ATOM 3840 HD2 TYR 274 -14.942 -3.001 -9.053 1.00 0.00 PRO +ATOM 3841 CE2 TYR 274 -13.497 -1.415 -8.987 1.00 0.00 PRO +ATOM 3842 HE2 TYR 274 -12.662 -2.064 -9.206 1.00 0.00 PRO +ATOM 3843 C TYR 274 -17.610 -2.586 -10.715 1.00 0.00 PRO +ATOM 3844 O TYR 274 -17.636 -3.818 -10.612 1.00 0.00 PRO +ATOM 3845 N GLY 275 -17.110 -1.974 -11.795 1.00 0.00 PRO +ATOM 3846 HN GLY 275 -17.156 -0.978 -11.889 1.00 0.00 PRO +ATOM 3847 CA GLY 275 -16.546 -2.708 -12.911 1.00 0.00 PRO +ATOM 3848 HA1 GLY 275 -17.100 -3.623 -13.064 1.00 0.00 PRO +ATOM 3849 HA2 GLY 275 -15.503 -2.855 -12.680 1.00 0.00 PRO +ATOM 3850 C GLY 275 -16.645 -1.893 -14.181 1.00 0.00 PRO +ATOM 3851 O GLY 275 -17.125 -0.776 -14.159 1.00 0.00 PRO +ATOM 3852 N PRO 276 -16.167 -2.412 -15.315 1.00 0.00 PRO +ATOM 3853 CD PRO 276 -15.390 -3.646 -15.406 1.00 0.00 PRO +ATOM 3854 HD1 PRO 276 -16.022 -4.409 -15.909 1.00 0.00 PRO +ATOM 3855 HD2 PRO 276 -15.033 -4.047 -14.429 1.00 0.00 PRO +ATOM 3856 CA PRO 276 -15.941 -1.545 -16.468 1.00 0.00 PRO +ATOM 3857 HA PRO 276 -15.670 -0.553 -16.141 1.00 0.00 PRO +ATOM 3858 CB PRO 276 -14.777 -2.213 -17.236 1.00 0.00 PRO +ATOM 3859 HB1 PRO 276 -14.013 -1.459 -17.521 1.00 0.00 PRO +ATOM 3860 HB2 PRO 276 -15.117 -2.742 -18.150 1.00 0.00 PRO +ATOM 3861 CG PRO 276 -14.198 -3.257 -16.277 1.00 0.00 PRO +ATOM 3862 HG1 PRO 276 -13.751 -4.123 -16.804 1.00 0.00 PRO +ATOM 3863 HG2 PRO 276 -13.422 -2.780 -15.639 1.00 0.00 PRO +ATOM 3864 C PRO 276 -17.154 -1.437 -17.361 1.00 0.00 PRO +ATOM 3865 O PRO 276 -17.628 -2.448 -17.875 1.00 0.00 PRO +ATOM 3866 N GLY 277 -17.628 -0.206 -17.638 1.00 0.00 PRO +ATOM 3867 HN GLY 277 -17.258 0.615 -17.194 1.00 0.00 PRO +ATOM 3868 CA GLY 277 -18.750 0.020 -18.529 1.00 0.00 PRO +ATOM 3869 HA1 GLY 277 -19.044 -0.895 -19.026 1.00 0.00 PRO +ATOM 3870 HA2 GLY 277 -18.459 0.801 -19.216 1.00 0.00 PRO +ATOM 3871 C GLY 277 -19.951 0.506 -17.793 1.00 0.00 PRO +ATOM 3872 O GLY 277 -20.017 0.563 -16.560 1.00 0.00 PRO +ATOM 3873 N SER 278 -21.002 0.846 -18.538 1.00 0.00 PRO +ATOM 3874 HN SER 278 -20.981 0.751 -19.535 1.00 0.00 PRO +ATOM 3875 CA SER 278 -22.183 1.496 -18.004 1.00 0.00 PRO +ATOM 3876 HA SER 278 -21.905 2.080 -17.135 1.00 0.00 PRO +ATOM 3877 CB SER 278 -22.793 2.447 -19.058 1.00 0.00 PRO +ATOM 3878 HB1 SER 278 -22.045 3.250 -19.254 1.00 0.00 PRO +ATOM 3879 HB2 SER 278 -23.724 2.929 -18.686 1.00 0.00 PRO +ATOM 3880 OG SER 278 -23.031 1.765 -20.290 1.00 0.00 PRO +ATOM 3881 HG1 SER 278 -23.795 1.193 -20.138 1.00 0.00 PRO +ATOM 3882 C SER 278 -23.229 0.495 -17.547 1.00 0.00 PRO +ATOM 3883 O SER 278 -24.392 0.812 -17.343 1.00 0.00 PRO +ATOM 3884 N SER 279 -22.796 -0.761 -17.350 1.00 0.00 PRO +ATOM 3885 HN SER 279 -21.857 -1.009 -17.578 1.00 0.00 PRO +ATOM 3886 CA SER 279 -23.573 -1.840 -16.784 1.00 0.00 PRO +ATOM 3887 HA SER 279 -24.628 -1.655 -16.924 1.00 0.00 PRO +ATOM 3888 CB SER 279 -23.165 -3.182 -17.445 1.00 0.00 PRO +ATOM 3889 HB1 SER 279 -23.566 -3.189 -18.484 1.00 0.00 PRO +ATOM 3890 HB2 SER 279 -23.591 -4.056 -16.908 1.00 0.00 PRO +ATOM 3891 OG SER 279 -21.743 -3.314 -17.531 1.00 0.00 PRO +ATOM 3892 HG1 SER 279 -21.413 -3.589 -16.665 1.00 0.00 PRO +ATOM 3893 C SER 279 -23.328 -1.959 -15.298 1.00 0.00 PRO +ATOM 3894 O SER 279 -23.937 -2.786 -14.627 1.00 0.00 PRO +ATOM 3895 N PHE 280 -22.445 -1.091 -14.769 1.00 0.00 PRO +ATOM 3896 HN PHE 280 -21.989 -0.422 -15.350 1.00 0.00 PRO +ATOM 3897 CA PHE 280 -22.041 -1.048 -13.388 1.00 0.00 PRO +ATOM 3898 HA PHE 280 -22.579 -1.803 -12.835 1.00 0.00 PRO +ATOM 3899 CB PHE 280 -20.516 -1.268 -13.212 1.00 0.00 PRO +ATOM 3900 HB1 PHE 280 -20.215 -1.191 -12.144 1.00 0.00 PRO +ATOM 3901 HB2 PHE 280 -19.932 -0.514 -13.786 1.00 0.00 PRO +ATOM 3902 CG PHE 280 -20.147 -2.639 -13.712 1.00 0.00 PRO +ATOM 3903 CD1 PHE 280 -20.101 -3.730 -12.829 1.00 0.00 PRO +ATOM 3904 HD1 PHE 280 -20.339 -3.580 -11.787 1.00 0.00 PRO +ATOM 3905 CE1 PHE 280 -19.699 -4.995 -13.274 1.00 0.00 PRO +ATOM 3906 HE1 PHE 280 -19.626 -5.813 -12.573 1.00 0.00 PRO +ATOM 3907 CZ PHE 280 -19.354 -5.184 -14.618 1.00 0.00 PRO +ATOM 3908 HZ PHE 280 -19.033 -6.154 -14.963 1.00 0.00 PRO +ATOM 3909 CD2 PHE 280 -19.778 -2.840 -15.053 1.00 0.00 PRO +ATOM 3910 HD2 PHE 280 -19.771 -1.999 -15.731 1.00 0.00 PRO +ATOM 3911 CE2 PHE 280 -19.395 -4.106 -15.509 1.00 0.00 PRO +ATOM 3912 HE2 PHE 280 -19.108 -4.242 -16.543 1.00 0.00 PRO +ATOM 3913 C PHE 280 -22.435 0.289 -12.804 1.00 0.00 PRO +ATOM 3914 O PHE 280 -22.525 1.308 -13.502 1.00 0.00 PRO +ATOM 3915 N THR 281 -22.738 0.309 -11.496 1.00 0.00 PRO +ATOM 3916 HN THR 281 -22.710 -0.546 -10.966 1.00 0.00 PRO +ATOM 3917 CA THR 281 -23.115 1.502 -10.746 1.00 0.00 PRO +ATOM 3918 HA THR 281 -23.970 1.936 -11.238 1.00 0.00 PRO +ATOM 3919 CB THR 281 -23.493 1.171 -9.310 1.00 0.00 PRO +ATOM 3920 HB THR 281 -22.590 0.865 -8.733 1.00 0.00 PRO +ATOM 3921 OG1 THR 281 -24.417 0.092 -9.254 1.00 0.00 PRO +ATOM 3922 HG1 THR 281 -25.125 0.278 -9.893 1.00 0.00 PRO +ATOM 3923 CG2 THR 281 -24.148 2.362 -8.610 1.00 0.00 PRO +ATOM 3924 HG21 THR 281 -25.024 2.722 -9.189 1.00 0.00 PRO +ATOM 3925 HG22 THR 281 -23.422 3.197 -8.501 1.00 0.00 PRO +ATOM 3926 HG23 THR 281 -24.485 2.067 -7.594 1.00 0.00 PRO +ATOM 3927 C THR 281 -22.024 2.562 -10.754 1.00 0.00 PRO +ATOM 3928 O THR 281 -22.274 3.735 -11.003 1.00 0.00 PRO +ATOM 3929 N LEU 282 -20.768 2.121 -10.556 1.00 0.00 PRO +ATOM 3930 HN LEU 282 -20.606 1.164 -10.306 1.00 0.00 PRO +ATOM 3931 CA LEU 282 -19.576 2.916 -10.727 1.00 0.00 PRO +ATOM 3932 HA LEU 282 -19.832 3.940 -10.960 1.00 0.00 PRO +ATOM 3933 CB LEU 282 -18.669 2.871 -9.471 1.00 0.00 PRO +ATOM 3934 HB1 LEU 282 -17.741 3.452 -9.652 1.00 0.00 PRO +ATOM 3935 HB2 LEU 282 -18.379 1.813 -9.276 1.00 0.00 PRO +ATOM 3936 CG LEU 282 -19.298 3.429 -8.180 1.00 0.00 PRO +ATOM 3937 HG LEU 282 -20.244 2.873 -7.974 1.00 0.00 PRO +ATOM 3938 CD1 LEU 282 -18.347 3.188 -7.000 1.00 0.00 PRO +ATOM 3939 HD11 LEU 282 -17.386 3.722 -7.148 1.00 0.00 PRO +ATOM 3940 HD12 LEU 282 -18.130 2.104 -6.891 1.00 0.00 PRO +ATOM 3941 HD13 LEU 282 -18.807 3.542 -6.056 1.00 0.00 PRO +ATOM 3942 CD2 LEU 282 -19.617 4.927 -8.295 1.00 0.00 PRO +ATOM 3943 HD21 LEU 282 -20.392 5.103 -9.071 1.00 0.00 PRO +ATOM 3944 HD22 LEU 282 -18.700 5.494 -8.564 1.00 0.00 PRO +ATOM 3945 HD23 LEU 282 -19.994 5.305 -7.323 1.00 0.00 PRO +ATOM 3946 C LEU 282 -18.822 2.343 -11.912 1.00 0.00 PRO +ATOM 3947 O LEU 282 -18.414 1.182 -11.922 1.00 0.00 PRO +ATOM 3948 N ASP 283 -18.624 3.161 -12.960 1.00 0.00 PRO +ATOM 3949 HN ASP 283 -18.894 4.126 -12.905 1.00 0.00 PRO +ATOM 3950 CA ASP 283 -18.010 2.757 -14.205 1.00 0.00 PRO +ATOM 3951 HA ASP 283 -18.158 1.692 -14.362 1.00 0.00 PRO +ATOM 3952 CB ASP 283 -18.693 3.548 -15.358 1.00 0.00 PRO +ATOM 3953 HB1 ASP 283 -18.632 4.632 -15.124 1.00 0.00 PRO +ATOM 3954 HB2 ASP 283 -19.767 3.262 -15.380 1.00 0.00 PRO +ATOM 3955 CG ASP 283 -18.143 3.361 -16.759 1.00 0.00 PRO +ATOM 3956 OD1 ASP 283 -17.074 2.697 -16.962 1.00 0.00 PRO +ATOM 3957 OD2 ASP 283 -18.740 3.953 -17.677 1.00 0.00 PRO +ATOM 3958 C ASP 283 -16.515 3.012 -14.099 1.00 0.00 PRO +ATOM 3959 O ASP 283 -16.078 4.142 -13.864 1.00 0.00 PRO +ATOM 3960 N THR 284 -15.673 1.977 -14.242 1.00 0.00 PRO +ATOM 3961 HN THR 284 -16.022 1.052 -14.425 1.00 0.00 PRO +ATOM 3962 CA THR 284 -14.241 2.076 -13.954 1.00 0.00 PRO +ATOM 3963 HA THR 284 -14.080 2.840 -13.207 1.00 0.00 PRO +ATOM 3964 CB THR 284 -13.643 0.781 -13.419 1.00 0.00 PRO +ATOM 3965 HB THR 284 -12.546 0.874 -13.261 1.00 0.00 PRO +ATOM 3966 OG1 THR 284 -13.884 -0.308 -14.298 1.00 0.00 PRO +ATOM 3967 HG1 THR 284 -13.581 -1.102 -13.834 1.00 0.00 PRO +ATOM 3968 CG2 THR 284 -14.301 0.441 -12.077 1.00 0.00 PRO +ATOM 3969 HG21 THR 284 -15.408 0.408 -12.156 1.00 0.00 PRO +ATOM 3970 HG22 THR 284 -14.022 1.191 -11.308 1.00 0.00 PRO +ATOM 3971 HG23 THR 284 -13.960 -0.550 -11.709 1.00 0.00 PRO +ATOM 3972 C THR 284 -13.455 2.510 -15.169 1.00 0.00 PRO +ATOM 3973 O THR 284 -12.225 2.574 -15.154 1.00 0.00 PRO +ATOM 3974 N THR 285 -14.151 2.917 -16.245 1.00 0.00 PRO +ATOM 3975 HN THR 285 -15.154 2.827 -16.252 1.00 0.00 PRO +ATOM 3976 CA THR 285 -13.525 3.508 -17.424 1.00 0.00 PRO +ATOM 3977 HA THR 285 -12.507 3.156 -17.498 1.00 0.00 PRO +ATOM 3978 CB THR 285 -14.244 3.152 -18.729 1.00 0.00 PRO +ATOM 3979 HB THR 285 -13.635 3.520 -19.588 1.00 0.00 PRO +ATOM 3980 OG1 THR 285 -15.557 3.711 -18.847 1.00 0.00 PRO +ATOM 3981 HG1 THR 285 -16.104 3.269 -18.156 1.00 0.00 PRO +ATOM 3982 CG2 THR 285 -14.354 1.622 -18.843 1.00 0.00 PRO +ATOM 3983 HG21 THR 285 -15.012 1.208 -18.050 1.00 0.00 PRO +ATOM 3984 HG22 THR 285 -13.352 1.151 -18.740 1.00 0.00 PRO +ATOM 3985 HG23 THR 285 -14.776 1.337 -19.829 1.00 0.00 PRO +ATOM 3986 C THR 285 -13.480 5.015 -17.270 1.00 0.00 PRO +ATOM 3987 O THR 285 -13.001 5.743 -18.151 1.00 0.00 PRO +ATOM 3988 N LYS 286 -13.963 5.515 -16.123 1.00 0.00 PRO +ATOM 3989 HN LYS 286 -14.277 4.885 -15.409 1.00 0.00 PRO +ATOM 3990 CA LYS 286 -14.104 6.908 -15.796 1.00 0.00 PRO +ATOM 3991 HA LYS 286 -13.515 7.505 -16.477 1.00 0.00 PRO +ATOM 3992 CB LYS 286 -15.600 7.331 -15.831 1.00 0.00 PRO +ATOM 3993 HB1 LYS 286 -15.711 8.388 -15.506 1.00 0.00 PRO +ATOM 3994 HB2 LYS 286 -16.155 6.691 -15.105 1.00 0.00 PRO +ATOM 3995 CG LYS 286 -16.249 7.146 -17.215 1.00 0.00 PRO +ATOM 3996 HG1 LYS 286 -16.031 6.113 -17.567 1.00 0.00 PRO +ATOM 3997 HG2 LYS 286 -15.779 7.858 -17.928 1.00 0.00 PRO +ATOM 3998 CD LYS 286 -17.777 7.325 -17.198 1.00 0.00 PRO +ATOM 3999 HD1 LYS 286 -18.009 8.322 -16.761 1.00 0.00 PRO +ATOM 4000 HD2 LYS 286 -18.218 6.555 -16.523 1.00 0.00 PRO +ATOM 4001 CE LYS 286 -18.435 7.223 -18.586 1.00 0.00 PRO +ATOM 4002 HE1 LYS 286 -18.058 8.041 -19.237 1.00 0.00 PRO +ATOM 4003 HE2 LYS 286 -19.539 7.320 -18.491 1.00 0.00 PRO +ATOM 4004 NZ LYS 286 -18.140 5.924 -19.230 1.00 0.00 PRO +ATOM 4005 HZ1 LYS 286 -18.475 5.143 -18.585 1.00 0.00 PRO +ATOM 4006 HZ2 LYS 286 -17.125 5.745 -19.335 1.00 0.00 PRO +ATOM 4007 HZ3 LYS 286 -18.644 5.783 -20.133 1.00 0.00 PRO +ATOM 4008 C LYS 286 -13.558 7.114 -14.396 1.00 0.00 PRO +ATOM 4009 O LYS 286 -13.616 6.243 -13.547 1.00 0.00 PRO +ATOM 4010 N LYS 287 -12.995 8.317 -14.142 1.00 0.00 PRO +ATOM 4011 HN LYS 287 -12.891 8.976 -14.868 1.00 0.00 PRO +ATOM 4012 CA LYS 287 -12.528 8.720 -12.828 1.00 0.00 PRO +ATOM 4013 HA LYS 287 -11.836 7.963 -12.485 1.00 0.00 PRO +ATOM 4014 CB LYS 287 -11.788 10.087 -12.929 1.00 0.00 PRO +ATOM 4015 HB1 LYS 287 -12.529 10.885 -13.129 1.00 0.00 PRO +ATOM 4016 HB2 LYS 287 -11.102 10.023 -13.805 1.00 0.00 PRO +ATOM 4017 CG LYS 287 -10.933 10.457 -11.703 1.00 0.00 PRO +ATOM 4018 HG1 LYS 287 -10.149 9.675 -11.594 1.00 0.00 PRO +ATOM 4019 HG2 LYS 287 -11.554 10.443 -10.779 1.00 0.00 PRO +ATOM 4020 CD LYS 287 -10.215 11.817 -11.802 1.00 0.00 PRO +ATOM 4021 HD1 LYS 287 -9.571 11.817 -12.711 1.00 0.00 PRO +ATOM 4022 HD2 LYS 287 -9.538 11.895 -10.921 1.00 0.00 PRO +ATOM 4023 CE LYS 287 -11.167 13.020 -11.838 1.00 0.00 PRO +ATOM 4024 HE1 LYS 287 -11.965 12.906 -11.072 1.00 0.00 PRO +ATOM 4025 HE2 LYS 287 -11.635 13.115 -12.842 1.00 0.00 PRO +ATOM 4026 NZ LYS 287 -10.438 14.272 -11.539 1.00 0.00 PRO +ATOM 4027 HZ1 LYS 287 -9.530 14.268 -12.048 1.00 0.00 PRO +ATOM 4028 HZ2 LYS 287 -10.295 14.333 -10.498 1.00 0.00 PRO +ATOM 4029 HZ3 LYS 287 -10.998 15.088 -11.861 1.00 0.00 PRO +ATOM 4030 C LYS 287 -13.677 8.785 -11.816 1.00 0.00 PRO +ATOM 4031 O LYS 287 -14.813 9.114 -12.141 1.00 0.00 PRO +ATOM 4032 N LEU 288 -13.387 8.443 -10.551 1.00 0.00 PRO +ATOM 4033 HN LEU 288 -12.470 8.135 -10.293 1.00 0.00 PRO +ATOM 4034 CA LEU 288 -14.358 8.470 -9.486 1.00 0.00 PRO +ATOM 4035 HA LEU 288 -15.173 9.134 -9.746 1.00 0.00 PRO +ATOM 4036 CB LEU 288 -14.939 7.072 -9.126 1.00 0.00 PRO +ATOM 4037 HB1 LEU 288 -15.479 6.667 -10.007 1.00 0.00 PRO +ATOM 4038 HB2 LEU 288 -15.699 7.205 -8.323 1.00 0.00 PRO +ATOM 4039 CG LEU 288 -13.938 5.989 -8.651 1.00 0.00 PRO +ATOM 4040 HG LEU 288 -13.201 6.438 -7.945 1.00 0.00 PRO +ATOM 4041 CD1 LEU 288 -14.688 4.900 -7.866 1.00 0.00 PRO +ATOM 4042 HD11 LEU 288 -15.449 4.409 -8.510 1.00 0.00 PRO +ATOM 4043 HD12 LEU 288 -15.196 5.337 -6.982 1.00 0.00 PRO +ATOM 4044 HD13 LEU 288 -13.978 4.124 -7.511 1.00 0.00 PRO +ATOM 4045 CD2 LEU 288 -13.157 5.347 -9.811 1.00 0.00 PRO +ATOM 4046 HD21 LEU 288 -12.431 6.056 -10.253 1.00 0.00 PRO +ATOM 4047 HD22 LEU 288 -13.853 5.026 -10.614 1.00 0.00 PRO +ATOM 4048 HD23 LEU 288 -12.594 4.459 -9.455 1.00 0.00 PRO +ATOM 4049 C LEU 288 -13.702 9.071 -8.275 1.00 0.00 PRO +ATOM 4050 O LEU 288 -12.471 9.139 -8.174 1.00 0.00 PRO +ATOM 4051 N THR 289 -14.522 9.541 -7.333 1.00 0.00 PRO +ATOM 4052 HN THR 289 -15.515 9.536 -7.478 1.00 0.00 PRO +ATOM 4053 CA THR 289 -14.082 10.091 -6.065 1.00 0.00 PRO +ATOM 4054 HA THR 289 -13.012 10.205 -6.055 1.00 0.00 PRO +ATOM 4055 CB THR 289 -14.743 11.425 -5.738 1.00 0.00 PRO +ATOM 4056 HB THR 289 -15.834 11.271 -5.582 1.00 0.00 PRO +ATOM 4057 OG1 THR 289 -14.570 12.356 -6.805 1.00 0.00 PRO +ATOM 4058 HG1 THR 289 -13.609 12.556 -6.810 1.00 0.00 PRO +ATOM 4059 CG2 THR 289 -14.131 12.077 -4.492 1.00 0.00 PRO +ATOM 4060 HG21 THR 289 -13.038 12.222 -4.637 1.00 0.00 PRO +ATOM 4061 HG22 THR 289 -14.288 11.462 -3.582 1.00 0.00 PRO +ATOM 4062 HG23 THR 289 -14.596 13.070 -4.321 1.00 0.00 PRO +ATOM 4063 C THR 289 -14.475 9.081 -5.009 1.00 0.00 PRO +ATOM 4064 O THR 289 -15.553 8.526 -5.034 1.00 0.00 PRO +ATOM 4065 N VAL 290 -13.545 8.827 -4.062 1.00 0.00 PRO +ATOM 4066 HN VAL 290 -12.670 9.308 -4.067 1.00 0.00 PRO +ATOM 4067 CA VAL 290 -13.700 7.833 -3.022 1.00 0.00 PRO +ATOM 4068 HA VAL 290 -14.692 7.400 -3.038 1.00 0.00 PRO +ATOM 4069 CB VAL 290 -12.653 6.729 -3.159 1.00 0.00 PRO +ATOM 4070 HB VAL 290 -11.634 7.174 -3.072 1.00 0.00 PRO +ATOM 4071 CG1 VAL 290 -12.837 5.657 -2.069 1.00 0.00 PRO +ATOM 4072 HG11 VAL 290 -13.853 5.213 -2.128 1.00 0.00 PRO +ATOM 4073 HG12 VAL 290 -12.676 6.068 -1.052 1.00 0.00 PRO +ATOM 4074 HG13 VAL 290 -12.102 4.836 -2.225 1.00 0.00 PRO +ATOM 4075 CG2 VAL 290 -12.748 6.083 -4.558 1.00 0.00 PRO +ATOM 4076 HG21 VAL 290 -12.507 6.811 -5.360 1.00 0.00 PRO +ATOM 4077 HG22 VAL 290 -13.763 5.677 -4.738 1.00 0.00 PRO +ATOM 4078 HG23 VAL 290 -12.021 5.245 -4.639 1.00 0.00 PRO +ATOM 4079 C VAL 290 -13.528 8.569 -1.711 1.00 0.00 PRO +ATOM 4080 O VAL 290 -12.517 9.257 -1.500 1.00 0.00 PRO +ATOM 4081 N VAL 291 -14.515 8.498 -0.801 1.00 0.00 PRO +ATOM 4082 HN VAL 291 -15.352 7.969 -0.975 1.00 0.00 PRO +ATOM 4083 CA VAL 291 -14.479 9.214 0.463 1.00 0.00 PRO +ATOM 4084 HA VAL 291 -13.523 9.697 0.588 1.00 0.00 PRO +ATOM 4085 CB VAL 291 -15.569 10.274 0.601 1.00 0.00 PRO +ATOM 4086 HB VAL 291 -16.574 9.792 0.623 1.00 0.00 PRO +ATOM 4087 CG1 VAL 291 -15.356 11.080 1.904 1.00 0.00 PRO +ATOM 4088 HG11 VAL 291 -14.334 11.514 1.936 1.00 0.00 PRO +ATOM 4089 HG12 VAL 291 -15.503 10.450 2.805 1.00 0.00 PRO +ATOM 4090 HG13 VAL 291 -16.080 11.920 1.957 1.00 0.00 PRO +ATOM 4091 CG2 VAL 291 -15.521 11.207 -0.626 1.00 0.00 PRO +ATOM 4092 HG21 VAL 291 -15.819 10.664 -1.548 1.00 0.00 PRO +ATOM 4093 HG22 VAL 291 -14.497 11.606 -0.770 1.00 0.00 PRO +ATOM 4094 HG23 VAL 291 -16.217 12.060 -0.488 1.00 0.00 PRO +ATOM 4095 C VAL 291 -14.638 8.195 1.573 1.00 0.00 PRO +ATOM 4096 O VAL 291 -15.562 7.410 1.608 1.00 0.00 PRO +ATOM 4097 N THR 292 -13.676 8.196 2.522 1.00 0.00 PRO +ATOM 4098 HN THR 292 -12.950 8.885 2.501 1.00 0.00 PRO +ATOM 4099 CA THR 292 -13.651 7.224 3.606 1.00 0.00 PRO +ATOM 4100 HA THR 292 -14.531 6.593 3.581 1.00 0.00 PRO +ATOM 4101 CB THR 292 -12.418 6.336 3.561 1.00 0.00 PRO +ATOM 4102 HB THR 292 -11.499 6.911 3.831 1.00 0.00 PRO +ATOM 4103 OG1 THR 292 -12.263 5.834 2.237 1.00 0.00 PRO +ATOM 4104 HG1 THR 292 -12.079 6.620 1.704 1.00 0.00 PRO +ATOM 4105 CG2 THR 292 -12.565 5.129 4.492 1.00 0.00 PRO +ATOM 4106 HG21 THR 292 -13.466 4.533 4.230 1.00 0.00 PRO +ATOM 4107 HG22 THR 292 -12.645 5.446 5.553 1.00 0.00 PRO +ATOM 4108 HG23 THR 292 -11.676 4.467 4.402 1.00 0.00 PRO +ATOM 4109 C THR 292 -13.688 8.005 4.885 1.00 0.00 PRO +ATOM 4110 O THR 292 -12.901 8.952 5.060 1.00 0.00 PRO +ATOM 4111 N GLN 293 -14.618 7.691 5.790 1.00 0.00 PRO +ATOM 4112 HN GLN 293 -15.200 6.876 5.661 1.00 0.00 PRO +ATOM 4113 CA GLN 293 -14.892 8.479 6.976 1.00 0.00 PRO +ATOM 4114 HA GLN 293 -14.233 9.332 7.028 1.00 0.00 PRO +ATOM 4115 CB GLN 293 -16.379 8.941 7.017 1.00 0.00 PRO +ATOM 4116 HB1 GLN 293 -16.515 9.644 7.869 1.00 0.00 PRO +ATOM 4117 HB2 GLN 293 -17.019 8.053 7.210 1.00 0.00 PRO +ATOM 4118 CG GLN 293 -16.873 9.606 5.705 1.00 0.00 PRO +ATOM 4119 HG1 GLN 293 -16.749 8.911 4.849 1.00 0.00 PRO +ATOM 4120 HG2 GLN 293 -16.265 10.513 5.502 1.00 0.00 PRO +ATOM 4121 CD GLN 293 -18.358 9.976 5.763 1.00 0.00 PRO +ATOM 4122 OE1 GLN 293 -19.257 9.127 5.808 1.00 0.00 PRO +ATOM 4123 NE2 GLN 293 -18.654 11.296 5.737 1.00 0.00 PRO +ATOM 4124 HE21 GLN 293 -17.895 11.963 5.668 1.00 0.00 PRO +ATOM 4125 HE22 GLN 293 -19.586 11.577 5.928 1.00 0.00 PRO +ATOM 4126 C GLN 293 -14.635 7.584 8.177 1.00 0.00 PRO +ATOM 4127 O GLN 293 -15.100 6.470 8.228 1.00 0.00 PRO +ATOM 4128 N PHE 294 -13.874 8.097 9.177 1.00 0.00 PRO +ATOM 4129 HN PHE 294 -13.472 9.007 9.131 1.00 0.00 PRO +ATOM 4130 CA PHE 294 -13.542 7.321 10.359 1.00 0.00 PRO +ATOM 4131 HA PHE 294 -13.894 6.297 10.279 1.00 0.00 PRO +ATOM 4132 CB PHE 294 -12.016 7.345 10.628 1.00 0.00 PRO +ATOM 4133 HB1 PHE 294 -11.768 6.821 11.577 1.00 0.00 PRO +ATOM 4134 HB2 PHE 294 -11.656 8.392 10.695 1.00 0.00 PRO +ATOM 4135 CG PHE 294 -11.269 6.685 9.511 1.00 0.00 PRO +ATOM 4136 CD1 PHE 294 -10.881 7.395 8.359 1.00 0.00 PRO +ATOM 4137 HD1 PHE 294 -11.139 8.439 8.265 1.00 0.00 PRO +ATOM 4138 CE1 PHE 294 -10.180 6.752 7.330 1.00 0.00 PRO +ATOM 4139 HE1 PHE 294 -9.896 7.296 6.442 1.00 0.00 PRO +ATOM 4140 CZ PHE 294 -9.847 5.398 7.461 1.00 0.00 PRO +ATOM 4141 HZ PHE 294 -9.313 4.885 6.678 1.00 0.00 PRO +ATOM 4142 CD2 PHE 294 -10.901 5.341 9.640 1.00 0.00 PRO +ATOM 4143 HD2 PHE 294 -11.172 4.789 10.528 1.00 0.00 PRO +ATOM 4144 CE2 PHE 294 -10.198 4.699 8.620 1.00 0.00 PRO +ATOM 4145 HE2 PHE 294 -9.938 3.660 8.735 1.00 0.00 PRO +ATOM 4146 C PHE 294 -14.207 7.944 11.556 1.00 0.00 PRO +ATOM 4147 O PHE 294 -13.733 8.973 12.086 1.00 0.00 PRO +ATOM 4148 N GLU 295 -15.302 7.373 12.067 1.00 0.00 PRO +ATOM 4149 HN GLU 295 -15.639 6.485 11.719 1.00 0.00 PRO +ATOM 4150 CA GLU 295 -16.007 7.969 13.179 1.00 0.00 PRO +ATOM 4151 HA GLU 295 -15.861 9.041 13.122 1.00 0.00 PRO +ATOM 4152 CB GLU 295 -17.545 7.774 13.147 1.00 0.00 PRO +ATOM 4153 HB1 GLU 295 -17.936 8.087 12.152 1.00 0.00 PRO +ATOM 4154 HB2 GLU 295 -17.979 8.481 13.893 1.00 0.00 PRO +ATOM 4155 CG GLU 295 -18.073 6.355 13.457 1.00 0.00 PRO +ATOM 4156 HG1 GLU 295 -17.359 5.804 14.106 1.00 0.00 PRO +ATOM 4157 HG2 GLU 295 -18.185 5.765 12.525 1.00 0.00 PRO +ATOM 4158 CD GLU 295 -19.395 6.407 14.219 1.00 0.00 PRO +ATOM 4159 OE1 GLU 295 -20.413 7.004 13.689 1.00 0.00 PRO +ATOM 4160 OE2 GLU 295 -19.409 5.944 15.356 1.00 0.00 PRO +ATOM 4161 C GLU 295 -15.421 7.547 14.514 1.00 0.00 PRO +ATOM 4162 O GLU 295 -14.529 6.696 14.629 1.00 0.00 PRO +ATOM 4163 N THR 296 -15.885 8.169 15.601 1.00 0.00 PRO +ATOM 4164 HN THR 296 -16.661 8.797 15.540 1.00 0.00 PRO +ATOM 4165 CA THR 296 -15.246 8.104 16.905 1.00 0.00 PRO +ATOM 4166 HA THR 296 -14.178 8.090 16.741 1.00 0.00 PRO +ATOM 4167 CB THR 296 -15.547 9.316 17.769 1.00 0.00 PRO +ATOM 4168 HB THR 296 -15.143 9.200 18.800 1.00 0.00 PRO +ATOM 4169 OG1 THR 296 -16.952 9.582 17.845 1.00 0.00 PRO +ATOM 4170 HG1 THR 296 -17.045 10.508 18.062 1.00 0.00 PRO +ATOM 4171 CG2 THR 296 -14.861 10.521 17.106 1.00 0.00 PRO +ATOM 4172 HG21 THR 296 -15.283 10.724 16.099 1.00 0.00 PRO +ATOM 4173 HG22 THR 296 -13.778 10.304 16.972 1.00 0.00 PRO +ATOM 4174 HG23 THR 296 -14.970 11.436 17.723 1.00 0.00 PRO +ATOM 4175 C THR 296 -15.543 6.849 17.690 1.00 0.00 PRO +ATOM 4176 O THR 296 -14.888 6.579 18.705 1.00 0.00 PRO +ATOM 4177 N SER 297 -16.511 6.016 17.265 1.00 0.00 PRO +ATOM 4178 HN SER 297 -17.090 6.244 16.475 1.00 0.00 PRO +ATOM 4179 CA SER 297 -16.638 4.664 17.791 1.00 0.00 PRO +ATOM 4180 HA SER 297 -16.686 4.736 18.869 1.00 0.00 PRO +ATOM 4181 CB SER 297 -17.930 3.954 17.313 1.00 0.00 PRO +ATOM 4182 HB1 SER 297 -18.803 4.577 17.609 1.00 0.00 PRO +ATOM 4183 HB2 SER 297 -18.035 2.956 17.785 1.00 0.00 PRO +ATOM 4184 OG SER 297 -17.983 3.826 15.883 1.00 0.00 PRO +ATOM 4185 HG1 SER 297 -18.569 4.544 15.573 1.00 0.00 PRO +ATOM 4186 C SER 297 -15.416 3.804 17.477 1.00 0.00 PRO +ATOM 4187 O SER 297 -14.833 3.184 18.363 1.00 0.00 PRO +ATOM 4188 N GLY 298 -14.973 3.877 16.201 1.00 0.00 PRO +ATOM 4189 HN GLY 298 -15.419 4.525 15.587 1.00 0.00 PRO +ATOM 4190 CA GLY 298 -13.936 3.067 15.578 1.00 0.00 PRO +ATOM 4191 HA1 GLY 298 -13.652 2.246 16.221 1.00 0.00 PRO +ATOM 4192 HA2 GLY 298 -13.116 3.718 15.311 1.00 0.00 PRO +ATOM 4193 C GLY 298 -14.450 2.465 14.298 1.00 0.00 PRO +ATOM 4194 O GLY 298 -13.730 1.736 13.623 1.00 0.00 PRO +ATOM 4195 N ALA 299 -15.712 2.761 13.929 1.00 0.00 PRO +ATOM 4196 HN ALA 299 -16.308 3.311 14.508 1.00 0.00 PRO +ATOM 4197 CA ALA 299 -16.324 2.327 12.695 1.00 0.00 PRO +ATOM 4198 HA ALA 299 -15.978 1.322 12.477 1.00 0.00 PRO +ATOM 4199 CB ALA 299 -17.860 2.303 12.822 1.00 0.00 PRO +ATOM 4200 HB1 ALA 299 -18.260 3.323 13.004 1.00 0.00 PRO +ATOM 4201 HB2 ALA 299 -18.164 1.655 13.669 1.00 0.00 PRO +ATOM 4202 HB3 ALA 299 -18.331 1.902 11.898 1.00 0.00 PRO +ATOM 4203 C ALA 299 -15.933 3.184 11.508 1.00 0.00 PRO +ATOM 4204 O ALA 299 -15.571 4.369 11.638 1.00 0.00 PRO +ATOM 4205 N ILE 300 -15.993 2.591 10.312 1.00 0.00 PRO +ATOM 4206 HN ILE 300 -16.329 1.644 10.235 1.00 0.00 PRO +ATOM 4207 CA ILE 300 -15.553 3.211 9.084 1.00 0.00 PRO +ATOM 4208 HA ILE 300 -15.275 4.236 9.274 1.00 0.00 PRO +ATOM 4209 CB ILE 300 -14.340 2.505 8.470 1.00 0.00 PRO +ATOM 4210 HB ILE 300 -14.634 1.484 8.144 1.00 0.00 PRO +ATOM 4211 CG2 ILE 300 -13.855 3.297 7.233 1.00 0.00 PRO +ATOM 4212 HG21 ILE 300 -13.539 4.320 7.529 1.00 0.00 PRO +ATOM 4213 HG22 ILE 300 -14.647 3.376 6.461 1.00 0.00 PRO +ATOM 4214 HG23 ILE 300 -12.988 2.788 6.762 1.00 0.00 PRO +ATOM 4215 CG1 ILE 300 -13.207 2.331 9.519 1.00 0.00 PRO +ATOM 4216 HG11 ILE 300 -13.598 1.814 10.424 1.00 0.00 PRO +ATOM 4217 HG12 ILE 300 -12.864 3.338 9.839 1.00 0.00 PRO +ATOM 4218 CD ILE 300 -12.018 1.501 9.019 1.00 0.00 PRO +ATOM 4219 HD1 ILE 300 -11.519 1.987 8.156 1.00 0.00 PRO +ATOM 4220 HD2 ILE 300 -12.355 0.490 8.703 1.00 0.00 PRO +ATOM 4221 HD3 ILE 300 -11.264 1.376 9.826 1.00 0.00 PRO +ATOM 4222 C ILE 300 -16.740 3.224 8.128 1.00 0.00 PRO +ATOM 4223 O ILE 300 -17.380 2.227 7.854 1.00 0.00 PRO +ATOM 4224 N ASN 301 -17.065 4.430 7.603 1.00 0.00 PRO +ATOM 4225 HN ASN 301 -16.501 5.221 7.833 1.00 0.00 PRO +ATOM 4226 CA ASN 301 -18.099 4.597 6.605 1.00 0.00 PRO +ATOM 4227 HA ASN 301 -18.632 3.663 6.466 1.00 0.00 PRO +ATOM 4228 CB ASN 301 -19.118 5.717 6.952 1.00 0.00 PRO +ATOM 4229 HB1 ASN 301 -19.916 5.790 6.188 1.00 0.00 PRO +ATOM 4230 HB2 ASN 301 -18.595 6.694 6.996 1.00 0.00 PRO +ATOM 4231 CG ASN 301 -19.772 5.523 8.324 1.00 0.00 PRO +ATOM 4232 OD1 ASN 301 -19.560 6.336 9.217 1.00 0.00 PRO +ATOM 4233 ND2 ASN 301 -20.632 4.487 8.443 1.00 0.00 PRO +ATOM 4234 HD21 ASN 301 -20.999 4.282 9.374 1.00 0.00 PRO +ATOM 4235 HD22 ASN 301 -20.767 3.842 7.714 1.00 0.00 PRO +ATOM 4236 C ASN 301 -17.455 4.934 5.275 1.00 0.00 PRO +ATOM 4237 O ASN 301 -16.297 5.386 5.202 1.00 0.00 PRO +ATOM 4238 N ARG 302 -18.181 4.735 4.176 1.00 0.00 PRO +ATOM 4239 HN ARG 302 -19.115 4.383 4.221 1.00 0.00 PRO +ATOM 4240 CA ARG 302 -17.660 4.928 2.843 1.00 0.00 PRO +ATOM 4241 HA ARG 302 -16.903 5.697 2.864 1.00 0.00 PRO +ATOM 4242 CB ARG 302 -17.016 3.606 2.335 1.00 0.00 PRO +ATOM 4243 HB1 ARG 302 -17.678 2.771 2.663 1.00 0.00 PRO +ATOM 4244 HB2 ARG 302 -16.050 3.463 2.869 1.00 0.00 PRO +ATOM 4245 CG ARG 302 -16.803 3.430 0.814 1.00 0.00 PRO +ATOM 4246 HG1 ARG 302 -17.784 3.505 0.295 1.00 0.00 PRO +ATOM 4247 HG2 ARG 302 -16.449 2.389 0.638 1.00 0.00 PRO +ATOM 4248 CD ARG 302 -15.817 4.382 0.125 1.00 0.00 PRO +ATOM 4249 HD1 ARG 302 -16.085 5.438 0.305 1.00 0.00 PRO +ATOM 4250 HD2 ARG 302 -15.800 4.234 -0.973 1.00 0.00 PRO +ATOM 4251 NE ARG 302 -14.438 4.147 0.687 1.00 0.00 PRO +ATOM 4252 HE ARG 302 -14.064 4.777 1.355 1.00 0.00 PRO +ATOM 4253 CZ ARG 302 -13.612 3.221 0.235 1.00 0.00 PRO +ATOM 4254 NH1 ARG 302 -13.886 2.322 -0.664 1.00 0.00 PRO +ATOM 4255 HH11 ARG 302 -14.832 2.212 -1.013 1.00 0.00 PRO +ATOM 4256 HH12 ARG 302 -13.244 1.620 -0.961 1.00 0.00 PRO +ATOM 4257 NH2 ARG 302 -12.376 3.268 0.762 1.00 0.00 PRO +ATOM 4258 HH21 ARG 302 -12.167 3.967 1.425 1.00 0.00 PRO +ATOM 4259 HH22 ARG 302 -11.676 2.611 0.476 1.00 0.00 PRO +ATOM 4260 C ARG 302 -18.763 5.433 1.923 1.00 0.00 PRO +ATOM 4261 O ARG 302 -19.892 5.004 1.975 1.00 0.00 PRO +ATOM 4262 N TYR 303 -18.402 6.401 1.041 1.00 0.00 PRO +ATOM 4263 HN TYR 303 -17.487 6.793 1.036 1.00 0.00 PRO +ATOM 4264 CA TYR 303 -19.256 6.773 -0.059 1.00 0.00 PRO +ATOM 4265 HA TYR 303 -19.813 5.898 -0.376 1.00 0.00 PRO +ATOM 4266 CB TYR 303 -20.279 7.906 0.273 1.00 0.00 PRO +ATOM 4267 HB1 TYR 303 -20.845 7.609 1.181 1.00 0.00 PRO +ATOM 4268 HB2 TYR 303 -21.018 7.993 -0.552 1.00 0.00 PRO +ATOM 4269 CG TYR 303 -19.692 9.279 0.505 1.00 0.00 PRO +ATOM 4270 CD1 TYR 303 -19.559 10.185 -0.564 1.00 0.00 PRO +ATOM 4271 HD1 TYR 303 -19.792 9.864 -1.569 1.00 0.00 PRO +ATOM 4272 CE1 TYR 303 -19.146 11.505 -0.336 1.00 0.00 PRO +ATOM 4273 HE1 TYR 303 -19.047 12.194 -1.162 1.00 0.00 PRO +ATOM 4274 CZ TYR 303 -18.858 11.931 0.963 1.00 0.00 PRO +ATOM 4275 OH TYR 303 -18.481 13.271 1.193 1.00 0.00 PRO +ATOM 4276 HH TYR 303 -18.154 13.336 2.096 1.00 0.00 PRO +ATOM 4277 CD2 TYR 303 -19.389 9.717 1.804 1.00 0.00 PRO +ATOM 4278 HD2 TYR 303 -19.499 9.031 2.632 1.00 0.00 PRO +ATOM 4279 CE2 TYR 303 -18.966 11.036 2.033 1.00 0.00 PRO +ATOM 4280 HE2 TYR 303 -18.730 11.359 3.033 1.00 0.00 PRO +ATOM 4281 C TYR 303 -18.368 7.121 -1.228 1.00 0.00 PRO +ATOM 4282 O TYR 303 -17.143 7.327 -1.083 1.00 0.00 PRO +ATOM 4283 N TYR 304 -18.944 7.157 -2.418 1.00 0.00 PRO +ATOM 4284 HN TYR 304 -19.937 6.982 -2.496 1.00 0.00 PRO +ATOM 4285 CA TYR 304 -18.260 7.380 -3.665 1.00 0.00 PRO +ATOM 4286 HA TYR 304 -17.258 7.742 -3.480 1.00 0.00 PRO +ATOM 4287 CB TYR 304 -18.251 6.126 -4.590 1.00 0.00 PRO +ATOM 4288 HB1 TYR 304 -17.590 6.310 -5.466 1.00 0.00 PRO +ATOM 4289 HB2 TYR 304 -19.272 5.906 -4.967 1.00 0.00 PRO +ATOM 4290 CG TYR 304 -17.775 4.878 -3.878 1.00 0.00 PRO +ATOM 4291 CD1 TYR 304 -18.642 4.149 -3.039 1.00 0.00 PRO +ATOM 4292 HD1 TYR 304 -19.649 4.499 -2.875 1.00 0.00 PRO +ATOM 4293 CE1 TYR 304 -18.195 2.975 -2.406 1.00 0.00 PRO +ATOM 4294 HE1 TYR 304 -18.849 2.439 -1.733 1.00 0.00 PRO +ATOM 4295 CZ TYR 304 -16.909 2.502 -2.643 1.00 0.00 PRO +ATOM 4296 OH TYR 304 -16.384 1.394 -1.918 1.00 0.00 PRO +ATOM 4297 HH TYR 304 -16.023 0.741 -2.539 1.00 0.00 PRO +ATOM 4298 CD2 TYR 304 -16.495 4.365 -4.128 1.00 0.00 PRO +ATOM 4299 HD2 TYR 304 -15.830 4.882 -4.804 1.00 0.00 PRO +ATOM 4300 CE2 TYR 304 -16.062 3.172 -3.524 1.00 0.00 PRO +ATOM 4301 HE2 TYR 304 -15.074 2.790 -3.710 1.00 0.00 PRO +ATOM 4302 C TYR 304 -19.058 8.461 -4.362 1.00 0.00 PRO +ATOM 4303 O TYR 304 -20.248 8.622 -4.144 1.00 0.00 PRO +ATOM 4304 N VAL 305 -18.393 9.234 -5.243 1.00 0.00 PRO +ATOM 4305 HN VAL 305 -17.415 9.091 -5.400 1.00 0.00 PRO +ATOM 4306 CA VAL 305 -19.086 10.193 -6.079 1.00 0.00 PRO +ATOM 4307 HA VAL 305 -20.143 9.975 -6.083 1.00 0.00 PRO +ATOM 4308 CB VAL 305 -18.899 11.660 -5.674 1.00 0.00 PRO +ATOM 4309 HB VAL 305 -17.835 11.961 -5.803 1.00 0.00 PRO +ATOM 4310 CG1 VAL 305 -19.774 12.581 -6.555 1.00 0.00 PRO +ATOM 4311 HG11 VAL 305 -20.845 12.306 -6.454 1.00 0.00 PRO +ATOM 4312 HG12 VAL 305 -19.477 12.514 -7.621 1.00 0.00 PRO +ATOM 4313 HG13 VAL 305 -19.639 13.634 -6.232 1.00 0.00 PRO +ATOM 4314 CG2 VAL 305 -19.262 11.843 -4.186 1.00 0.00 PRO +ATOM 4315 HG21 VAL 305 -18.553 11.282 -3.540 1.00 0.00 PRO +ATOM 4316 HG22 VAL 305 -20.289 11.475 -3.982 1.00 0.00 PRO +ATOM 4317 HG23 VAL 305 -19.200 12.914 -3.901 1.00 0.00 PRO +ATOM 4318 C VAL 305 -18.588 9.972 -7.481 1.00 0.00 PRO +ATOM 4319 O VAL 305 -17.372 9.989 -7.737 1.00 0.00 PRO +ATOM 4320 N GLN 306 -19.483 9.748 -8.447 1.00 0.00 PRO +ATOM 4321 HN GLN 306 -20.463 9.658 -8.228 1.00 0.00 PRO +ATOM 4322 CA GLN 306 -19.093 9.728 -9.838 1.00 0.00 PRO +ATOM 4323 HA GLN 306 -18.166 10.277 -9.956 1.00 0.00 PRO +ATOM 4324 CB GLN 306 -18.861 8.305 -10.396 1.00 0.00 PRO +ATOM 4325 HB1 GLN 306 -19.789 7.701 -10.284 1.00 0.00 PRO +ATOM 4326 HB2 GLN 306 -18.075 7.826 -9.766 1.00 0.00 PRO +ATOM 4327 CG GLN 306 -18.401 8.303 -11.874 1.00 0.00 PRO +ATOM 4328 HG1 GLN 306 -17.531 8.983 -12.004 1.00 0.00 PRO +ATOM 4329 HG2 GLN 306 -19.221 8.656 -12.532 1.00 0.00 PRO +ATOM 4330 CD GLN 306 -18.022 6.898 -12.346 1.00 0.00 PRO +ATOM 4331 OE1 GLN 306 -18.902 6.092 -12.690 1.00 0.00 PRO +ATOM 4332 NE2 GLN 306 -16.715 6.603 -12.394 1.00 0.00 PRO +ATOM 4333 HE21 GLN 306 -16.435 5.681 -12.700 1.00 0.00 PRO +ATOM 4334 HE22 GLN 306 -16.025 7.281 -12.145 1.00 0.00 PRO +ATOM 4335 C GLN 306 -20.127 10.469 -10.651 1.00 0.00 PRO +ATOM 4336 O GLN 306 -21.324 10.219 -10.582 1.00 0.00 PRO +ATOM 4337 N ASN 307 -19.670 11.476 -11.419 1.00 0.00 PRO +ATOM 4338 HN ASN 307 -18.688 11.651 -11.403 1.00 0.00 PRO +ATOM 4339 CA ASN 307 -20.495 12.301 -12.292 1.00 0.00 PRO +ATOM 4340 HA ASN 307 -19.818 13.011 -12.740 1.00 0.00 PRO +ATOM 4341 CB ASN 307 -21.185 11.504 -13.437 1.00 0.00 PRO +ATOM 4342 HB1 ASN 307 -21.764 12.187 -14.092 1.00 0.00 PRO +ATOM 4343 HB2 ASN 307 -21.877 10.748 -13.012 1.00 0.00 PRO +ATOM 4344 CG ASN 307 -20.134 10.825 -14.311 1.00 0.00 PRO +ATOM 4345 OD1 ASN 307 -18.980 11.244 -14.373 1.00 0.00 PRO +ATOM 4346 ND2 ASN 307 -20.549 9.746 -15.013 1.00 0.00 PRO +ATOM 4347 HD21 ASN 307 -19.838 9.183 -15.448 1.00 0.00 PRO +ATOM 4348 HD22 ASN 307 -21.492 9.439 -14.954 1.00 0.00 PRO +ATOM 4349 C ASN 307 -21.492 13.167 -11.533 1.00 0.00 PRO +ATOM 4350 O ASN 307 -22.537 13.556 -12.048 1.00 0.00 PRO +ATOM 4351 N GLY 308 -21.144 13.499 -10.270 1.00 0.00 PRO +ATOM 4352 HN GLY 308 -20.286 13.134 -9.915 1.00 0.00 PRO +ATOM 4353 CA GLY 308 -21.920 14.355 -9.380 1.00 0.00 PRO +ATOM 4354 HA1 GLY 308 -22.458 15.094 -9.958 1.00 0.00 PRO +ATOM 4355 HA2 GLY 308 -21.223 14.781 -8.679 1.00 0.00 PRO +ATOM 4356 C GLY 308 -22.934 13.600 -8.573 1.00 0.00 PRO +ATOM 4357 O GLY 308 -23.652 14.168 -7.759 1.00 0.00 PRO +ATOM 4358 N VAL 309 -22.976 12.273 -8.766 1.00 0.00 PRO +ATOM 4359 HN VAL 309 -22.323 11.823 -9.370 1.00 0.00 PRO +ATOM 4360 CA VAL 309 -23.968 11.395 -8.198 1.00 0.00 PRO +ATOM 4361 HA VAL 309 -24.809 11.966 -7.824 1.00 0.00 PRO +ATOM 4362 CB VAL 309 -24.458 10.362 -9.203 1.00 0.00 PRO +ATOM 4363 HB VAL 309 -23.605 9.715 -9.522 1.00 0.00 PRO +ATOM 4364 CG1 VAL 309 -25.545 9.478 -8.563 1.00 0.00 PRO +ATOM 4365 HG11 VAL 309 -26.390 10.095 -8.188 1.00 0.00 PRO +ATOM 4366 HG12 VAL 309 -25.146 8.864 -7.727 1.00 0.00 PRO +ATOM 4367 HG13 VAL 309 -25.945 8.776 -9.322 1.00 0.00 PRO +ATOM 4368 CG2 VAL 309 -25.017 11.061 -10.462 1.00 0.00 PRO +ATOM 4369 HG21 VAL 309 -24.354 11.872 -10.822 1.00 0.00 PRO +ATOM 4370 HG22 VAL 309 -26.028 11.467 -10.251 1.00 0.00 PRO +ATOM 4371 HG23 VAL 309 -25.117 10.309 -11.274 1.00 0.00 PRO +ATOM 4372 C VAL 309 -23.305 10.697 -7.046 1.00 0.00 PRO +ATOM 4373 O VAL 309 -22.235 10.095 -7.197 1.00 0.00 PRO +ATOM 4374 N THR 310 -23.896 10.800 -5.851 1.00 0.00 PRO +ATOM 4375 HN THR 310 -24.783 11.247 -5.763 1.00 0.00 PRO +ATOM 4376 CA THR 310 -23.333 10.220 -4.644 1.00 0.00 PRO +ATOM 4377 HA THR 310 -22.266 10.095 -4.766 1.00 0.00 PRO +ATOM 4378 CB THR 310 -23.552 11.101 -3.425 1.00 0.00 PRO +ATOM 4379 HB THR 310 -24.641 11.267 -3.260 1.00 0.00 PRO +ATOM 4380 OG1 THR 310 -22.934 12.366 -3.639 1.00 0.00 PRO +ATOM 4381 HG1 THR 310 -23.159 12.623 -4.535 1.00 0.00 PRO +ATOM 4382 CG2 THR 310 -22.922 10.500 -2.161 1.00 0.00 PRO +ATOM 4383 HG21 THR 310 -21.860 10.237 -2.349 1.00 0.00 PRO +ATOM 4384 HG22 THR 310 -23.461 9.587 -1.832 1.00 0.00 PRO +ATOM 4385 HG23 THR 310 -22.955 11.234 -1.328 1.00 0.00 PRO +ATOM 4386 C THR 310 -23.934 8.846 -4.412 1.00 0.00 PRO +ATOM 4387 O THR 310 -25.135 8.646 -4.405 1.00 0.00 PRO +ATOM 4388 N PHE 311 -23.042 7.853 -4.213 1.00 0.00 PRO +ATOM 4389 HN PHE 311 -22.059 8.036 -4.221 1.00 0.00 PRO +ATOM 4390 CA PHE 311 -23.421 6.493 -3.915 1.00 0.00 PRO +ATOM 4391 HA PHE 311 -24.496 6.392 -3.843 1.00 0.00 PRO +ATOM 4392 CB PHE 311 -22.865 5.470 -4.939 1.00 0.00 PRO +ATOM 4393 HB1 PHE 311 -23.181 4.435 -4.679 1.00 0.00 PRO +ATOM 4394 HB2 PHE 311 -21.753 5.492 -4.954 1.00 0.00 PRO +ATOM 4395 CG PHE 311 -23.356 5.786 -6.325 1.00 0.00 PRO +ATOM 4396 CD1 PHE 311 -24.584 5.276 -6.774 1.00 0.00 PRO +ATOM 4397 HD1 PHE 311 -25.191 4.680 -6.110 1.00 0.00 PRO +ATOM 4398 CE1 PHE 311 -25.017 5.510 -8.086 1.00 0.00 PRO +ATOM 4399 HE1 PHE 311 -25.960 5.105 -8.422 1.00 0.00 PRO +ATOM 4400 CZ PHE 311 -24.210 6.237 -8.969 1.00 0.00 PRO +ATOM 4401 HZ PHE 311 -24.525 6.387 -9.991 1.00 0.00 PRO +ATOM 4402 CD2 PHE 311 -22.567 6.536 -7.214 1.00 0.00 PRO +ATOM 4403 HD2 PHE 311 -21.618 6.929 -6.880 1.00 0.00 PRO +ATOM 4404 CE2 PHE 311 -22.986 6.757 -8.531 1.00 0.00 PRO +ATOM 4405 HE2 PHE 311 -22.359 7.316 -9.211 1.00 0.00 PRO +ATOM 4406 C PHE 311 -22.827 6.181 -2.569 1.00 0.00 PRO +ATOM 4407 O PHE 311 -21.616 6.330 -2.358 1.00 0.00 PRO +ATOM 4408 N GLN 312 -23.640 5.747 -1.601 1.00 0.00 PRO +ATOM 4409 HN GLN 312 -24.613 5.629 -1.769 1.00 0.00 PRO +ATOM 4410 CA GLN 312 -23.143 5.163 -0.371 1.00 0.00 PRO +ATOM 4411 HA GLN 312 -22.349 5.785 0.018 1.00 0.00 PRO +ATOM 4412 CB GLN 312 -24.292 5.019 0.665 1.00 0.00 PRO +ATOM 4413 HB1 GLN 312 -24.986 4.209 0.341 1.00 0.00 PRO +ATOM 4414 HB2 GLN 312 -24.874 5.969 0.656 1.00 0.00 PRO +ATOM 4415 CG GLN 312 -23.847 4.746 2.125 1.00 0.00 PRO +ATOM 4416 HG1 GLN 312 -23.238 3.819 2.169 1.00 0.00 PRO +ATOM 4417 HG2 GLN 312 -24.755 4.592 2.743 1.00 0.00 PRO +ATOM 4418 CD GLN 312 -23.065 5.909 2.743 1.00 0.00 PRO +ATOM 4419 OE1 GLN 312 -23.066 7.045 2.285 1.00 0.00 PRO +ATOM 4420 NE2 GLN 312 -22.402 5.629 3.895 1.00 0.00 PRO +ATOM 4421 HE21 GLN 312 -21.806 6.345 4.237 1.00 0.00 PRO +ATOM 4422 HE22 GLN 312 -22.340 4.683 4.203 1.00 0.00 PRO +ATOM 4423 C GLN 312 -22.574 3.788 -0.708 1.00 0.00 PRO +ATOM 4424 O GLN 312 -23.001 3.175 -1.680 1.00 0.00 PRO +ATOM 4425 N GLN 313 -21.595 3.286 0.082 1.00 0.00 PRO +ATOM 4426 HN GLN 313 -21.177 3.851 0.789 1.00 0.00 PRO +ATOM 4427 CA GLN 313 -21.215 1.874 0.132 1.00 0.00 PRO +ATOM 4428 HA GLN 313 -20.559 1.693 -0.699 1.00 0.00 PRO +ATOM 4429 CB GLN 313 -20.454 1.620 1.464 1.00 0.00 PRO +ATOM 4430 HB1 GLN 313 -21.154 1.804 2.309 1.00 0.00 PRO +ATOM 4431 HB2 GLN 313 -19.650 2.385 1.538 1.00 0.00 PRO +ATOM 4432 CG GLN 313 -19.819 0.221 1.661 1.00 0.00 PRO +ATOM 4433 HG1 GLN 313 -20.544 -0.583 1.417 1.00 0.00 PRO +ATOM 4434 HG2 GLN 313 -19.523 0.086 2.722 1.00 0.00 PRO +ATOM 4435 CD GLN 313 -18.602 0.031 0.754 1.00 0.00 PRO +ATOM 4436 OE1 GLN 313 -18.746 -0.053 -0.460 1.00 0.00 PRO +ATOM 4437 NE2 GLN 313 -17.378 -0.019 1.338 1.00 0.00 PRO +ATOM 4438 HE21 GLN 313 -16.608 -0.206 0.739 1.00 0.00 PRO +ATOM 4439 HE22 GLN 313 -17.305 -0.070 2.331 1.00 0.00 PRO +ATOM 4440 C GLN 313 -22.441 0.935 0.039 1.00 0.00 PRO +ATOM 4441 O GLN 313 -23.400 1.177 0.748 1.00 0.00 PRO +ATOM 4442 N PRO 314 -22.507 -0.088 -0.826 1.00 0.00 PRO +ATOM 4443 CD PRO 314 -21.607 -0.335 -1.945 1.00 0.00 PRO +ATOM 4444 HD1 PRO 314 -20.725 -0.908 -1.581 1.00 0.00 PRO +ATOM 4445 HD2 PRO 314 -21.275 0.607 -2.435 1.00 0.00 PRO +ATOM 4446 CA PRO 314 -23.643 -0.996 -0.847 1.00 0.00 PRO +ATOM 4447 HA PRO 314 -24.508 -0.398 -1.087 1.00 0.00 PRO +ATOM 4448 CB PRO 314 -23.306 -2.011 -1.948 1.00 0.00 PRO +ATOM 4449 HB1 PRO 314 -24.219 -2.407 -2.432 1.00 0.00 PRO +ATOM 4450 HB2 PRO 314 -22.703 -2.857 -1.541 1.00 0.00 PRO +ATOM 4451 CG PRO 314 -22.429 -1.204 -2.899 1.00 0.00 PRO +ATOM 4452 HG1 PRO 314 -21.786 -1.840 -3.539 1.00 0.00 PRO +ATOM 4453 HG2 PRO 314 -23.058 -0.543 -3.536 1.00 0.00 PRO +ATOM 4454 C PRO 314 -23.917 -1.671 0.468 1.00 0.00 PRO +ATOM 4455 O PRO 314 -22.988 -1.979 1.211 1.00 0.00 PRO +ATOM 4456 N ASN 315 -25.196 -1.937 0.780 1.00 0.00 PRO +ATOM 4457 HN ASN 315 -25.942 -1.577 0.242 1.00 0.00 PRO +ATOM 4458 CA ASN 315 -25.536 -2.890 1.806 1.00 0.00 PRO +ATOM 4459 HA ASN 315 -25.002 -2.595 2.699 1.00 0.00 PRO +ATOM 4460 CB ASN 315 -27.056 -2.955 2.107 1.00 0.00 PRO +ATOM 4461 HB1 ASN 315 -27.302 -3.883 2.672 1.00 0.00 PRO +ATOM 4462 HB2 ASN 315 -27.626 -2.981 1.157 1.00 0.00 PRO +ATOM 4463 CG ASN 315 -27.478 -1.738 2.923 1.00 0.00 PRO +ATOM 4464 OD1 ASN 315 -27.342 -0.577 2.515 1.00 0.00 PRO +ATOM 4465 ND2 ASN 315 -28.063 -1.995 4.108 1.00 0.00 PRO +ATOM 4466 HD21 ASN 315 -28.348 -1.242 4.697 1.00 0.00 PRO +ATOM 4467 HD22 ASN 315 -28.315 -2.931 4.361 1.00 0.00 PRO +ATOM 4468 C ASN 315 -25.031 -4.277 1.468 1.00 0.00 PRO +ATOM 4469 O ASN 315 -25.069 -4.709 0.304 1.00 0.00 PRO +ATOM 4470 N ALA 316 -24.550 -4.963 2.497 1.00 0.00 PRO +ATOM 4471 HN ALA 316 -24.501 -4.548 3.411 1.00 0.00 PRO +ATOM 4472 CA ALA 316 -24.106 -6.322 2.457 1.00 0.00 PRO +ATOM 4473 HA ALA 316 -24.353 -6.784 1.513 1.00 0.00 PRO +ATOM 4474 CB ALA 316 -22.596 -6.385 2.740 1.00 0.00 PRO +ATOM 4475 HB1 ALA 316 -22.347 -5.876 3.697 1.00 0.00 PRO +ATOM 4476 HB2 ALA 316 -22.042 -5.864 1.929 1.00 0.00 PRO +ATOM 4477 HB3 ALA 316 -22.234 -7.433 2.794 1.00 0.00 PRO +ATOM 4478 C ALA 316 -24.886 -7.002 3.565 1.00 0.00 PRO +ATOM 4479 O ALA 316 -25.066 -6.471 4.634 1.00 0.00 PRO +ATOM 4480 N GLU 317 -25.403 -8.217 3.263 1.00 0.00 PRO +ATOM 4481 HN GLU 317 -25.288 -8.634 2.375 1.00 0.00 PRO +ATOM 4482 CA GLU 317 -26.099 -9.003 4.251 1.00 0.00 PRO +ATOM 4483 HA GLU 317 -26.126 -8.494 5.207 1.00 0.00 PRO +ATOM 4484 CB GLU 317 -27.548 -9.339 3.823 1.00 0.00 PRO +ATOM 4485 HB1 GLU 317 -28.028 -9.875 4.676 1.00 0.00 PRO +ATOM 4486 HB2 GLU 317 -27.541 -10.011 2.938 1.00 0.00 PRO +ATOM 4487 CG GLU 317 -28.373 -8.069 3.482 1.00 0.00 PRO +ATOM 4488 HG1 GLU 317 -28.071 -7.675 2.492 1.00 0.00 PRO +ATOM 4489 HG2 GLU 317 -28.162 -7.294 4.247 1.00 0.00 PRO +ATOM 4490 CD GLU 317 -29.878 -8.306 3.489 1.00 0.00 PRO +ATOM 4491 OE1 GLU 317 -30.400 -8.595 4.580 1.00 0.00 PRO +ATOM 4492 OE2 GLU 317 -30.532 -8.122 2.409 1.00 0.00 PRO +ATOM 4493 C GLU 317 -25.273 -10.240 4.434 1.00 0.00 PRO +ATOM 4494 O GLU 317 -25.070 -11.031 3.484 1.00 0.00 PRO +ATOM 4495 N LEU 318 -24.704 -10.417 5.616 1.00 0.00 PRO +ATOM 4496 HN LEU 318 -24.946 -9.810 6.385 1.00 0.00 PRO +ATOM 4497 CA LEU 318 -23.709 -11.422 5.879 1.00 0.00 PRO +ATOM 4498 HA LEU 318 -23.803 -12.233 5.171 1.00 0.00 PRO +ATOM 4499 CB LEU 318 -22.304 -10.767 5.785 1.00 0.00 PRO +ATOM 4500 HB1 LEU 318 -22.198 -9.994 6.576 1.00 0.00 PRO +ATOM 4501 HB2 LEU 318 -22.247 -10.236 4.807 1.00 0.00 PRO +ATOM 4502 CG LEU 318 -21.095 -11.719 5.844 1.00 0.00 PRO +ATOM 4503 HG LEU 318 -21.128 -12.303 6.795 1.00 0.00 PRO +ATOM 4504 CD1 LEU 318 -21.083 -12.705 4.666 1.00 0.00 PRO +ATOM 4505 HD11 LEU 318 -21.069 -12.153 3.702 1.00 0.00 PRO +ATOM 4506 HD12 LEU 318 -21.968 -13.372 4.685 1.00 0.00 PRO +ATOM 4507 HD13 LEU 318 -20.169 -13.335 4.717 1.00 0.00 PRO +ATOM 4508 CD2 LEU 318 -19.797 -10.898 5.849 1.00 0.00 PRO +ATOM 4509 HD21 LEU 318 -19.691 -10.319 6.792 1.00 0.00 PRO +ATOM 4510 HD22 LEU 318 -19.778 -10.181 5.004 1.00 0.00 PRO +ATOM 4511 HD23 LEU 318 -18.910 -11.556 5.741 1.00 0.00 PRO +ATOM 4512 C LEU 318 -23.997 -11.947 7.274 1.00 0.00 PRO +ATOM 4513 O LEU 318 -23.936 -11.233 8.253 1.00 0.00 PRO +ATOM 4514 N GLY 319 -24.365 -13.248 7.398 1.00 0.00 PRO +ATOM 4515 HN GLY 319 -24.399 -13.841 6.605 1.00 0.00 PRO +ATOM 4516 CA GLY 319 -24.720 -13.823 8.698 1.00 0.00 PRO +ATOM 4517 HA1 GLY 319 -23.860 -13.719 9.342 1.00 0.00 PRO +ATOM 4518 HA2 GLY 319 -24.975 -14.857 8.522 1.00 0.00 PRO +ATOM 4519 C GLY 319 -25.912 -13.192 9.393 1.00 0.00 PRO +ATOM 4520 O GLY 319 -27.051 -13.272 8.950 1.00 0.00 PRO +ATOM 4521 N SER 320 -25.675 -12.568 10.566 1.00 0.00 PRO +ATOM 4522 HN SER 320 -24.755 -12.583 10.948 1.00 0.00 PRO +ATOM 4523 CA SER 320 -26.689 -11.830 11.304 1.00 0.00 PRO +ATOM 4524 HA SER 320 -27.678 -12.094 10.953 1.00 0.00 PRO +ATOM 4525 CB SER 320 -26.612 -12.117 12.832 1.00 0.00 PRO +ATOM 4526 HB1 SER 320 -26.814 -13.202 12.959 1.00 0.00 PRO +ATOM 4527 HB2 SER 320 -27.395 -11.556 13.386 1.00 0.00 PRO +ATOM 4528 OG SER 320 -25.322 -11.847 13.394 1.00 0.00 PRO +ATOM 4529 HG1 SER 320 -25.090 -10.940 13.159 1.00 0.00 PRO +ATOM 4530 C SER 320 -26.564 -10.329 11.116 1.00 0.00 PRO +ATOM 4531 O SER 320 -27.287 -9.553 11.710 1.00 0.00 PRO +ATOM 4532 N TYR 321 -25.592 -9.918 10.270 1.00 0.00 PRO +ATOM 4533 HN TYR 321 -25.064 -10.576 9.736 1.00 0.00 PRO +ATOM 4534 CA TYR 321 -25.324 -8.546 9.937 1.00 0.00 PRO +ATOM 4535 HA TYR 321 -25.680 -7.915 10.744 1.00 0.00 PRO +ATOM 4536 CB TYR 321 -23.784 -8.310 9.805 1.00 0.00 PRO +ATOM 4537 HB1 TYR 321 -23.350 -9.049 9.101 1.00 0.00 PRO +ATOM 4538 HB2 TYR 321 -23.291 -8.460 10.789 1.00 0.00 PRO +ATOM 4539 CG TYR 321 -23.430 -6.940 9.291 1.00 0.00 PRO +ATOM 4540 CD1 TYR 321 -23.271 -6.702 7.912 1.00 0.00 PRO +ATOM 4541 HD1 TYR 321 -23.368 -7.519 7.210 1.00 0.00 PRO +ATOM 4542 CE1 TYR 321 -23.034 -5.400 7.440 1.00 0.00 PRO +ATOM 4543 HE1 TYR 321 -22.934 -5.225 6.377 1.00 0.00 PRO +ATOM 4544 CZ TYR 321 -22.921 -4.347 8.351 1.00 0.00 PRO +ATOM 4545 OH TYR 321 -22.700 -3.015 7.952 1.00 0.00 PRO +ATOM 4546 HH TYR 321 -22.092 -2.639 8.595 1.00 0.00 PRO +ATOM 4547 CD2 TYR 321 -23.282 -5.877 10.189 1.00 0.00 PRO +ATOM 4548 HD2 TYR 321 -23.375 -6.048 11.251 1.00 0.00 PRO +ATOM 4549 CE2 TYR 321 -23.013 -4.586 9.722 1.00 0.00 PRO +ATOM 4550 HE2 TYR 321 -22.887 -3.778 10.423 1.00 0.00 PRO +ATOM 4551 C TYR 321 -26.098 -8.120 8.702 1.00 0.00 PRO +ATOM 4552 O TYR 321 -26.293 -8.893 7.740 1.00 0.00 PRO +ATOM 4553 N SER 322 -26.543 -6.873 8.682 1.00 0.00 PRO +ATOM 4554 HN SER 322 -26.322 -6.267 9.444 1.00 0.00 PRO +ATOM 4555 CA SER 322 -27.066 -6.202 7.513 1.00 0.00 PRO +ATOM 4556 HA SER 322 -26.586 -6.581 6.624 1.00 0.00 PRO +ATOM 4557 CB SER 322 -28.609 -6.287 7.391 1.00 0.00 PRO +ATOM 4558 HB1 SER 322 -29.096 -5.798 8.262 1.00 0.00 PRO +ATOM 4559 HB2 SER 322 -28.906 -7.361 7.387 1.00 0.00 PRO +ATOM 4560 OG SER 322 -29.074 -5.682 6.181 1.00 0.00 PRO +ATOM 4561 HG1 SER 322 -29.317 -6.411 5.589 1.00 0.00 PRO +ATOM 4562 C SER 322 -26.656 -4.761 7.738 1.00 0.00 PRO +ATOM 4563 O SER 322 -26.688 -4.281 8.853 1.00 0.00 PRO +ATOM 4564 N GLY 323 -26.214 -4.077 6.649 1.00 0.00 PRO +ATOM 4565 HN GLY 323 -26.070 -4.557 5.791 1.00 0.00 PRO +ATOM 4566 CA GLY 323 -25.780 -2.690 6.725 1.00 0.00 PRO +ATOM 4567 HA1 GLY 323 -25.329 -2.495 7.687 1.00 0.00 PRO +ATOM 4568 HA2 GLY 323 -26.632 -2.062 6.515 1.00 0.00 PRO +ATOM 4569 C GLY 323 -24.737 -2.399 5.689 1.00 0.00 PRO +ATOM 4570 O GLY 323 -24.404 -3.258 4.865 1.00 0.00 PRO +ATOM 4571 N ASN 324 -24.226 -1.162 5.674 1.00 0.00 PRO +ATOM 4572 HN ASN 324 -24.569 -0.476 6.318 1.00 0.00 PRO +ATOM 4573 CA ASN 324 -23.205 -0.688 4.746 1.00 0.00 PRO +ATOM 4574 HA ASN 324 -22.799 -1.527 4.193 1.00 0.00 PRO +ATOM 4575 CB ASN 324 -23.834 0.303 3.740 1.00 0.00 PRO +ATOM 4576 HB1 ASN 324 -24.543 -0.272 3.108 1.00 0.00 PRO +ATOM 4577 HB2 ASN 324 -23.040 0.705 3.079 1.00 0.00 PRO +ATOM 4578 CG ASN 324 -24.581 1.469 4.382 1.00 0.00 PRO +ATOM 4579 OD1 ASN 324 -24.463 1.836 5.560 1.00 0.00 PRO +ATOM 4580 ND2 ASN 324 -25.467 2.086 3.573 1.00 0.00 PRO +ATOM 4581 HD21 ASN 324 -25.538 1.768 2.628 1.00 0.00 PRO +ATOM 4582 HD22 ASN 324 -26.045 2.791 3.971 1.00 0.00 PRO +ATOM 4583 C ASN 324 -22.029 -0.054 5.474 1.00 0.00 PRO +ATOM 4584 O ASN 324 -21.295 0.789 4.915 1.00 0.00 PRO +ATOM 4585 N GLU 325 -21.831 -0.394 6.743 1.00 0.00 PRO +ATOM 4586 HN GLU 325 -22.364 -1.156 7.122 1.00 0.00 PRO +ATOM 4587 CA GLU 325 -20.855 0.216 7.619 1.00 0.00 PRO +ATOM 4588 HA GLU 325 -20.266 0.943 7.081 1.00 0.00 PRO +ATOM 4589 CB GLU 325 -21.570 0.914 8.807 1.00 0.00 PRO +ATOM 4590 HB1 GLU 325 -22.292 0.185 9.243 1.00 0.00 PRO +ATOM 4591 HB2 GLU 325 -22.161 1.760 8.394 1.00 0.00 PRO +ATOM 4592 CG GLU 325 -20.665 1.425 9.956 1.00 0.00 PRO +ATOM 4593 HG1 GLU 325 -19.903 2.138 9.587 1.00 0.00 PRO +ATOM 4594 HG2 GLU 325 -20.123 0.576 10.421 1.00 0.00 PRO +ATOM 4595 CD GLU 325 -21.504 2.102 11.038 1.00 0.00 PRO +ATOM 4596 OE1 GLU 325 -21.571 1.541 12.164 1.00 0.00 PRO +ATOM 4597 OE2 GLU 325 -22.135 3.159 10.746 1.00 0.00 PRO +ATOM 4598 C GLU 325 -19.902 -0.840 8.136 1.00 0.00 PRO +ATOM 4599 O GLU 325 -20.315 -1.828 8.705 1.00 0.00 PRO +ATOM 4600 N LEU 326 -18.576 -0.608 7.938 1.00 0.00 PRO +ATOM 4601 HN LEU 326 -18.243 0.224 7.516 1.00 0.00 PRO +ATOM 4602 CA LEU 326 -17.554 -1.491 8.461 1.00 0.00 PRO +ATOM 4603 HA LEU 326 -17.859 -2.516 8.297 1.00 0.00 PRO +ATOM 4604 CB LEU 326 -16.219 -1.247 7.711 1.00 0.00 PRO +ATOM 4605 HB1 LEU 326 -15.760 -0.293 8.033 1.00 0.00 PRO +ATOM 4606 HB2 LEU 326 -16.482 -1.136 6.632 1.00 0.00 PRO +ATOM 4607 CG LEU 326 -15.166 -2.378 7.769 1.00 0.00 PRO +ATOM 4608 HG LEU 326 -15.670 -3.346 7.527 1.00 0.00 PRO +ATOM 4609 CD1 LEU 326 -14.104 -2.149 6.681 1.00 0.00 PRO +ATOM 4610 HD11 LEU 326 -13.533 -1.218 6.871 1.00 0.00 PRO +ATOM 4611 HD12 LEU 326 -14.569 -2.085 5.675 1.00 0.00 PRO +ATOM 4612 HD13 LEU 326 -13.390 -3.002 6.657 1.00 0.00 PRO +ATOM 4613 CD2 LEU 326 -14.480 -2.528 9.135 1.00 0.00 PRO +ATOM 4614 HD21 LEU 326 -15.202 -2.820 9.923 1.00 0.00 PRO +ATOM 4615 HD22 LEU 326 -13.980 -1.582 9.429 1.00 0.00 PRO +ATOM 4616 HD23 LEU 326 -13.709 -3.329 9.074 1.00 0.00 PRO +ATOM 4617 C LEU 326 -17.446 -1.234 9.958 1.00 0.00 PRO +ATOM 4618 O LEU 326 -17.042 -0.160 10.421 1.00 0.00 PRO +ATOM 4619 N ASN 327 -17.873 -2.216 10.761 1.00 0.00 PRO +ATOM 4620 HN ASN 327 -18.183 -3.082 10.370 1.00 0.00 PRO +ATOM 4621 CA ASN 327 -18.011 -2.095 12.189 1.00 0.00 PRO +ATOM 4622 HA ASN 327 -17.226 -1.446 12.551 1.00 0.00 PRO +ATOM 4623 CB ASN 327 -19.386 -1.479 12.617 1.00 0.00 PRO +ATOM 4624 HB1 ASN 327 -19.429 -0.442 12.224 1.00 0.00 PRO +ATOM 4625 HB2 ASN 327 -19.449 -1.424 13.722 1.00 0.00 PRO +ATOM 4626 CG ASN 327 -20.624 -2.241 12.125 1.00 0.00 PRO +ATOM 4627 OD1 ASN 327 -20.594 -3.413 11.764 1.00 0.00 PRO +ATOM 4628 ND2 ASN 327 -21.772 -1.523 12.137 1.00 0.00 PRO +ATOM 4629 HD21 ASN 327 -21.749 -0.548 12.341 1.00 0.00 PRO +ATOM 4630 HD22 ASN 327 -22.614 -2.002 11.855 1.00 0.00 PRO +ATOM 4631 C ASN 327 -17.754 -3.462 12.789 1.00 0.00 PRO +ATOM 4632 O ASN 327 -17.570 -4.451 12.065 1.00 0.00 PRO +ATOM 4633 N ASP 328 -17.700 -3.579 14.127 1.00 0.00 PRO +ATOM 4634 HN ASP 328 -17.793 -2.786 14.727 1.00 0.00 PRO +ATOM 4635 CA ASP 328 -17.409 -4.826 14.811 1.00 0.00 PRO +ATOM 4636 HA ASP 328 -16.443 -5.166 14.458 1.00 0.00 PRO +ATOM 4637 CB ASP 328 -17.349 -4.615 16.347 1.00 0.00 PRO +ATOM 4638 HB1 ASP 328 -17.187 -5.587 16.858 1.00 0.00 PRO +ATOM 4639 HB2 ASP 328 -18.307 -4.181 16.698 1.00 0.00 PRO +ATOM 4640 CG ASP 328 -16.224 -3.681 16.766 1.00 0.00 PRO +ATOM 4641 OD1 ASP 328 -15.041 -4.143 16.809 1.00 0.00 PRO +ATOM 4642 OD2 ASP 328 -16.525 -2.501 17.056 1.00 0.00 PRO +ATOM 4643 C ASP 328 -18.410 -5.939 14.480 1.00 0.00 PRO +ATOM 4644 O ASP 328 -18.015 -7.105 14.321 1.00 0.00 PRO +ATOM 4645 N ASP 329 -19.716 -5.612 14.343 1.00 0.00 PRO +ATOM 4646 HN ASP 329 -20.019 -4.676 14.487 1.00 0.00 PRO +ATOM 4647 CA ASP 329 -20.764 -6.542 13.935 1.00 0.00 PRO +ATOM 4648 HA ASP 329 -20.734 -7.373 14.623 1.00 0.00 PRO +ATOM 4649 CB ASP 329 -22.198 -5.902 13.969 1.00 0.00 PRO +ATOM 4650 HB1 ASP 329 -22.918 -6.620 13.521 1.00 0.00 PRO +ATOM 4651 HB2 ASP 329 -22.210 -4.973 13.365 1.00 0.00 PRO +ATOM 4652 CG ASP 329 -22.758 -5.590 15.358 1.00 0.00 PRO +ATOM 4653 OD1 ASP 329 -22.107 -5.965 16.379 1.00 0.00 PRO +ATOM 4654 OD2 ASP 329 -23.889 -5.045 15.432 1.00 0.00 PRO +ATOM 4655 C ASP 329 -20.505 -7.121 12.545 1.00 0.00 PRO +ATOM 4656 O ASP 329 -20.646 -8.354 12.359 1.00 0.00 PRO +ATOM 4657 N TYR 330 -20.087 -6.320 11.551 1.00 0.00 PRO +ATOM 4658 HN TYR 330 -20.010 -5.322 11.704 1.00 0.00 PRO +ATOM 4659 CA TYR 330 -19.672 -6.781 10.232 1.00 0.00 PRO +ATOM 4660 HA TYR 330 -20.487 -7.356 9.812 1.00 0.00 PRO +ATOM 4661 CB TYR 330 -19.384 -5.579 9.268 1.00 0.00 PRO +ATOM 4662 HB1 TYR 330 -18.697 -4.867 9.769 1.00 0.00 PRO +ATOM 4663 HB2 TYR 330 -20.321 -5.035 9.039 1.00 0.00 PRO +ATOM 4664 CG TYR 330 -18.746 -6.004 7.959 1.00 0.00 PRO +ATOM 4665 CD1 TYR 330 -19.493 -6.699 6.992 1.00 0.00 PRO +ATOM 4666 HD1 TYR 330 -20.541 -6.884 7.154 1.00 0.00 PRO +ATOM 4667 CE1 TYR 330 -18.869 -7.201 5.839 1.00 0.00 PRO +ATOM 4668 HE1 TYR 330 -19.435 -7.756 5.108 1.00 0.00 PRO +ATOM 4669 CZ TYR 330 -17.495 -7.027 5.651 1.00 0.00 PRO +ATOM 4670 OH TYR 330 -16.870 -7.585 4.517 1.00 0.00 PRO +ATOM 4671 HH TYR 330 -15.917 -7.709 4.694 1.00 0.00 PRO +ATOM 4672 CD2 TYR 330 -17.377 -5.787 7.728 1.00 0.00 PRO +ATOM 4673 HD2 TYR 330 -16.782 -5.270 8.465 1.00 0.00 PRO +ATOM 4674 CE2 TYR 330 -16.747 -6.313 6.589 1.00 0.00 PRO +ATOM 4675 HE2 TYR 330 -15.681 -6.200 6.442 1.00 0.00 PRO +ATOM 4676 C TYR 330 -18.485 -7.743 10.289 1.00 0.00 PRO +ATOM 4677 O TYR 330 -18.527 -8.833 9.742 1.00 0.00 PRO +ATOM 4678 N CYS 331 -17.421 -7.362 11.021 1.00 0.00 PRO +ATOM 4679 HN CYS 331 -17.424 -6.477 11.481 1.00 0.00 PRO +ATOM 4680 CA CYS 331 -16.193 -8.150 11.080 1.00 0.00 PRO +ATOM 4681 HA CYS 331 -15.909 -8.396 10.066 1.00 0.00 PRO +ATOM 4682 CB CYS 331 -15.063 -7.336 11.754 1.00 0.00 PRO +ATOM 4683 HB1 CYS 331 -14.133 -7.947 11.763 1.00 0.00 PRO +ATOM 4684 HB2 CYS 331 -15.352 -7.101 12.797 1.00 0.00 PRO +ATOM 4685 SG CYS 331 -14.737 -5.786 10.869 1.00 0.00 PRO +ATOM 4686 C CYS 331 -16.380 -9.454 11.807 1.00 0.00 PRO +ATOM 4687 O CYS 331 -15.837 -10.511 11.412 1.00 0.00 PRO +ATOM 4688 N THR 332 -17.177 -9.463 12.874 1.00 0.00 PRO +ATOM 4689 HN THR 332 -17.606 -8.591 13.147 1.00 0.00 PRO +ATOM 4690 CA THR 332 -17.567 -10.668 13.602 1.00 0.00 PRO +ATOM 4691 HA THR 332 -16.662 -11.179 13.902 1.00 0.00 PRO +ATOM 4692 CB THR 332 -18.407 -10.352 14.840 1.00 0.00 PRO +ATOM 4693 HB THR 332 -19.358 -9.853 14.536 1.00 0.00 PRO +ATOM 4694 OG1 THR 332 -17.713 -9.473 15.720 1.00 0.00 PRO +ATOM 4695 HG1 THR 332 -17.637 -8.633 15.235 1.00 0.00 PRO +ATOM 4696 CG2 THR 332 -18.719 -11.625 15.641 1.00 0.00 PRO +ATOM 4697 HG21 THR 332 -17.771 -12.113 15.953 1.00 0.00 PRO +ATOM 4698 HG22 THR 332 -19.288 -12.354 15.030 1.00 0.00 PRO +ATOM 4699 HG23 THR 332 -19.304 -11.376 16.549 1.00 0.00 PRO +ATOM 4700 C THR 332 -18.365 -11.605 12.717 1.00 0.00 PRO +ATOM 4701 O THR 332 -18.158 -12.841 12.712 1.00 0.00 PRO +ATOM 4702 N ALA 333 -19.311 -11.074 11.935 1.00 0.00 PRO +ATOM 4703 HN ALA 333 -19.465 -10.078 11.927 1.00 0.00 PRO +ATOM 4704 CA ALA 333 -20.070 -11.816 10.946 1.00 0.00 PRO +ATOM 4705 HA ALA 333 -20.529 -12.653 11.446 1.00 0.00 PRO +ATOM 4706 CB ALA 333 -21.162 -10.917 10.333 1.00 0.00 PRO +ATOM 4707 HB1 ALA 333 -20.710 -10.051 9.802 1.00 0.00 PRO +ATOM 4708 HB2 ALA 333 -21.827 -10.522 11.127 1.00 0.00 PRO +ATOM 4709 HB3 ALA 333 -21.772 -11.489 9.602 1.00 0.00 PRO +ATOM 4710 C ALA 333 -19.205 -12.375 9.841 1.00 0.00 PRO +ATOM 4711 O ALA 333 -19.368 -13.565 9.463 1.00 0.00 PRO +ATOM 4712 N GLU 334 -18.262 -11.613 9.308 1.00 0.00 PRO +ATOM 4713 HN GLU 334 -18.162 -10.639 9.590 1.00 0.00 PRO +ATOM 4714 CA GLU 334 -17.356 -12.020 8.263 1.00 0.00 PRO +ATOM 4715 HA GLU 334 -17.953 -12.356 7.427 1.00 0.00 PRO +ATOM 4716 CB GLU 334 -16.499 -10.834 7.796 1.00 0.00 PRO +ATOM 4717 HB1 GLU 334 -15.835 -10.478 8.614 1.00 0.00 PRO +ATOM 4718 HB2 GLU 334 -17.167 -9.981 7.529 1.00 0.00 PRO +ATOM 4719 CG GLU 334 -15.653 -11.186 6.555 1.00 0.00 PRO +ATOM 4720 HG1 GLU 334 -16.332 -11.480 5.729 1.00 0.00 PRO +ATOM 4721 HG2 GLU 334 -14.937 -12.008 6.742 1.00 0.00 PRO +ATOM 4722 CD GLU 334 -14.848 -9.992 6.063 1.00 0.00 PRO +ATOM 4723 OE1 GLU 334 -14.656 -9.029 6.800 1.00 0.00 PRO +ATOM 4724 OE2 GLU 334 -14.459 -10.099 4.844 1.00 0.00 PRO +ATOM 4725 C GLU 334 -16.478 -13.203 8.649 1.00 0.00 PRO +ATOM 4726 O GLU 334 -16.394 -14.193 7.935 1.00 0.00 PRO +ATOM 4727 N GLU 335 -15.886 -13.161 9.865 1.00 0.00 PRO +ATOM 4728 HN GLU 335 -15.936 -12.332 10.419 1.00 0.00 PRO +ATOM 4729 CA GLU 335 -15.135 -14.278 10.427 1.00 0.00 PRO +ATOM 4730 HA GLU 335 -14.354 -14.531 9.724 1.00 0.00 PRO +ATOM 4731 CB GLU 335 -14.479 -13.897 11.782 1.00 0.00 PRO +ATOM 4732 HB1 GLU 335 -14.058 -14.815 12.252 1.00 0.00 PRO +ATOM 4733 HB2 GLU 335 -15.260 -13.482 12.457 1.00 0.00 PRO +ATOM 4734 CG GLU 335 -13.304 -12.881 11.685 1.00 0.00 PRO +ATOM 4735 HG1 GLU 335 -13.673 -11.926 11.262 1.00 0.00 PRO +ATOM 4736 HG2 GLU 335 -12.517 -13.274 11.012 1.00 0.00 PRO +ATOM 4737 CD GLU 335 -12.713 -12.598 13.068 1.00 0.00 PRO +ATOM 4738 OE1 GLU 335 -13.464 -12.573 14.043 1.00 0.00 PRO +ATOM 4739 OE2 GLU 335 -11.441 -12.424 13.194 1.00 0.00 PRO +ATOM 4740 C GLU 335 -15.986 -15.525 10.625 1.00 0.00 PRO +ATOM 4741 O GLU 335 -15.536 -16.676 10.447 1.00 0.00 PRO +ATOM 4742 N ALA 336 -17.251 -15.395 11.031 1.00 0.00 PRO +ATOM 4743 HN ALA 336 -17.615 -14.469 11.186 1.00 0.00 PRO +ATOM 4744 CA ALA 336 -18.184 -16.507 11.103 1.00 0.00 PRO +ATOM 4745 HA ALA 336 -17.710 -17.289 11.673 1.00 0.00 PRO +ATOM 4746 CB ALA 336 -19.465 -16.069 11.837 1.00 0.00 PRO +ATOM 4747 HB1 ALA 336 -20.023 -15.322 11.232 1.00 0.00 PRO +ATOM 4748 HB2 ALA 336 -19.201 -15.598 12.808 1.00 0.00 PRO +ATOM 4749 HB3 ALA 336 -20.121 -16.945 12.025 1.00 0.00 PRO +ATOM 4750 C ALA 336 -18.532 -17.133 9.764 1.00 0.00 PRO +ATOM 4751 O ALA 336 -18.599 -18.384 9.660 1.00 0.00 PRO +ATOM 4752 N GLU 337 -18.763 -16.340 8.723 1.00 0.00 PRO +ATOM 4753 HN GLU 337 -18.693 -15.336 8.835 1.00 0.00 PRO +ATOM 4754 CA GLU 337 -19.268 -16.804 7.445 1.00 0.00 PRO +ATOM 4755 HA GLU 337 -19.892 -17.671 7.607 1.00 0.00 PRO +ATOM 4756 CB GLU 337 -20.133 -15.701 6.783 1.00 0.00 PRO +ATOM 4757 HB1 GLU 337 -20.388 -15.983 5.737 1.00 0.00 PRO +ATOM 4758 HB2 GLU 337 -19.530 -14.763 6.737 1.00 0.00 PRO +ATOM 4759 CG GLU 337 -21.461 -15.402 7.534 1.00 0.00 PRO +ATOM 4760 HG1 GLU 337 -21.940 -14.527 7.052 1.00 0.00 PRO +ATOM 4761 HG2 GLU 337 -21.247 -15.134 8.589 1.00 0.00 PRO +ATOM 4762 CD GLU 337 -22.470 -16.552 7.528 1.00 0.00 PRO +ATOM 4763 OE1 GLU 337 -22.960 -16.892 6.396 1.00 0.00 PRO +ATOM 4764 OE2 GLU 337 -22.810 -17.085 8.597 1.00 0.00 PRO +ATOM 4765 C GLU 337 -18.165 -17.210 6.491 1.00 0.00 PRO +ATOM 4766 O GLU 337 -18.293 -18.251 5.801 1.00 0.00 PRO +ATOM 4767 N PHE 338 -17.064 -16.458 6.416 1.00 0.00 PRO +ATOM 4768 HN PHE 338 -16.965 -15.623 6.986 1.00 0.00 PRO +ATOM 4769 CA PHE 338 -15.954 -16.678 5.493 1.00 0.00 PRO +ATOM 4770 HA PHE 338 -16.252 -17.368 4.714 1.00 0.00 PRO +ATOM 4771 CB PHE 338 -15.445 -15.350 4.855 1.00 0.00 PRO +ATOM 4772 HB1 PHE 338 -14.587 -15.572 4.184 1.00 0.00 PRO +ATOM 4773 HB2 PHE 338 -15.092 -14.664 5.659 1.00 0.00 PRO +ATOM 4774 CG PHE 338 -16.438 -14.583 4.014 1.00 0.00 PRO +ATOM 4775 CD1 PHE 338 -17.664 -15.108 3.562 1.00 0.00 PRO +ATOM 4776 HD1 PHE 338 -17.959 -16.104 3.844 1.00 0.00 PRO +ATOM 4777 CE1 PHE 338 -18.505 -14.352 2.734 1.00 0.00 PRO +ATOM 4778 HE1 PHE 338 -19.448 -14.759 2.406 1.00 0.00 PRO +ATOM 4779 CZ PHE 338 -18.124 -13.064 2.336 1.00 0.00 PRO +ATOM 4780 HZ PHE 338 -18.764 -12.477 1.694 1.00 0.00 PRO +ATOM 4781 CD2 PHE 338 -16.082 -13.283 3.617 1.00 0.00 PRO +ATOM 4782 HD2 PHE 338 -15.153 -12.848 3.966 1.00 0.00 PRO +ATOM 4783 CE2 PHE 338 -16.912 -12.527 2.784 1.00 0.00 PRO +ATOM 4784 HE2 PHE 338 -16.610 -11.525 2.508 1.00 0.00 PRO +ATOM 4785 C PHE 338 -14.779 -17.304 6.209 1.00 0.00 PRO +ATOM 4786 O PHE 338 -13.755 -17.644 5.583 1.00 0.00 PRO +ATOM 4787 N GLY 339 -14.868 -17.526 7.522 1.00 0.00 PRO +ATOM 4788 HN GLY 339 -15.660 -17.173 8.028 1.00 0.00 PRO +ATOM 4789 CA GLY 339 -13.798 -18.112 8.308 1.00 0.00 PRO +ATOM 4790 HA1 GLY 339 -13.359 -18.918 7.737 1.00 0.00 PRO +ATOM 4791 HA2 GLY 339 -14.225 -18.444 9.239 1.00 0.00 PRO +ATOM 4792 C GLY 339 -12.675 -17.180 8.653 1.00 0.00 PRO +ATOM 4793 O GLY 339 -12.599 -16.031 8.215 1.00 0.00 PRO +ATOM 4794 N GLY 340 -11.754 -17.692 9.483 1.00 0.00 PRO +ATOM 4795 HN GLY 340 -11.918 -18.602 9.859 1.00 0.00 PRO +ATOM 4796 CA GLY 340 -10.633 -16.937 10.014 1.00 0.00 PRO +ATOM 4797 HA1 GLY 340 -10.441 -16.058 9.409 1.00 0.00 PRO +ATOM 4798 HA2 GLY 340 -9.789 -17.609 10.059 1.00 0.00 PRO +ATOM 4799 C GLY 340 -10.883 -16.480 11.420 1.00 0.00 PRO +ATOM 4800 O GLY 340 -11.902 -16.777 12.052 1.00 0.00 PRO +ATOM 4801 N SER 341 -9.886 -15.781 11.969 1.00 0.00 PRO +ATOM 4802 HN SER 341 -9.089 -15.549 11.423 1.00 0.00 PRO +ATOM 4803 CA SER 341 -9.946 -15.289 13.330 1.00 0.00 PRO +ATOM 4804 HA SER 341 -10.877 -14.755 13.452 1.00 0.00 PRO +ATOM 4805 CB SER 341 -9.846 -16.416 14.406 1.00 0.00 PRO +ATOM 4806 HB1 SER 341 -10.686 -17.122 14.228 1.00 0.00 PRO +ATOM 4807 HB2 SER 341 -9.966 -15.969 15.418 1.00 0.00 PRO +ATOM 4808 OG SER 341 -8.627 -17.168 14.372 1.00 0.00 PRO +ATOM 4809 HG1 SER 341 -7.912 -16.516 14.433 1.00 0.00 PRO +ATOM 4810 C SER 341 -8.836 -14.309 13.615 1.00 0.00 PRO +ATOM 4811 O SER 341 -8.726 -13.784 14.719 1.00 0.00 PRO +ATOM 4812 N SER 342 -7.950 -14.034 12.646 1.00 0.00 PRO +ATOM 4813 HN SER 342 -8.019 -14.377 11.712 1.00 0.00 PRO +ATOM 4814 CA SER 342 -6.803 -13.169 12.824 1.00 0.00 PRO +ATOM 4815 HA SER 342 -6.247 -13.566 13.661 1.00 0.00 PRO +ATOM 4816 CB SER 342 -5.860 -13.240 11.602 1.00 0.00 PRO +ATOM 4817 HB1 SER 342 -5.387 -14.248 11.605 1.00 0.00 PRO +ATOM 4818 HB2 SER 342 -5.053 -12.479 11.648 1.00 0.00 PRO +ATOM 4819 OG SER 342 -6.582 -13.107 10.378 1.00 0.00 PRO +ATOM 4820 HG1 SER 342 -6.554 -12.154 10.148 1.00 0.00 PRO +ATOM 4821 C SER 342 -7.138 -11.741 13.217 1.00 0.00 PRO +ATOM 4822 O SER 342 -6.462 -11.169 14.079 1.00 0.00 PRO +ATOM 4823 N PHE 343 -8.212 -11.151 12.649 1.00 0.00 PRO +ATOM 4824 HN PHE 343 -8.746 -11.633 11.955 1.00 0.00 PRO +ATOM 4825 CA PHE 343 -8.688 -9.821 13.004 1.00 0.00 PRO +ATOM 4826 HA PHE 343 -7.857 -9.141 12.888 1.00 0.00 PRO +ATOM 4827 CB PHE 343 -9.835 -9.396 12.033 1.00 0.00 PRO +ATOM 4828 HB1 PHE 343 -10.711 -10.071 12.140 1.00 0.00 PRO +ATOM 4829 HB2 PHE 343 -9.464 -9.504 10.986 1.00 0.00 PRO +ATOM 4830 CG PHE 343 -10.283 -7.960 12.209 1.00 0.00 PRO +ATOM 4831 CD1 PHE 343 -9.555 -6.930 11.593 1.00 0.00 PRO +ATOM 4832 HD1 PHE 343 -8.661 -7.177 11.039 1.00 0.00 PRO +ATOM 4833 CE1 PHE 343 -9.993 -5.603 11.644 1.00 0.00 PRO +ATOM 4834 HE1 PHE 343 -9.430 -4.835 11.134 1.00 0.00 PRO +ATOM 4835 CZ PHE 343 -11.174 -5.286 12.316 1.00 0.00 PRO +ATOM 4836 HZ PHE 343 -11.523 -4.267 12.319 1.00 0.00 PRO +ATOM 4837 CD2 PHE 343 -11.477 -7.630 12.876 1.00 0.00 PRO +ATOM 4838 HD2 PHE 343 -12.065 -8.422 13.316 1.00 0.00 PRO +ATOM 4839 CE2 PHE 343 -11.919 -6.298 12.931 1.00 0.00 PRO +ATOM 4840 HE2 PHE 343 -12.853 -6.051 13.407 1.00 0.00 PRO +ATOM 4841 C PHE 343 -9.129 -9.730 14.464 1.00 0.00 PRO +ATOM 4842 O PHE 343 -8.741 -8.832 15.220 1.00 0.00 PRO +ATOM 4843 N SER 344 -9.928 -10.711 14.931 1.00 0.00 PRO +ATOM 4844 HN SER 344 -10.268 -11.419 14.291 1.00 0.00 PRO +ATOM 4845 CA SER 344 -10.355 -10.807 16.321 1.00 0.00 PRO +ATOM 4846 HA SER 344 -10.705 -9.821 16.592 1.00 0.00 PRO +ATOM 4847 CB SER 344 -11.552 -11.762 16.552 1.00 0.00 PRO +ATOM 4848 HB1 SER 344 -12.419 -11.371 15.972 1.00 0.00 PRO +ATOM 4849 HB2 SER 344 -11.839 -11.771 17.624 1.00 0.00 PRO +ATOM 4850 OG SER 344 -11.289 -13.092 16.107 1.00 0.00 PRO +ATOM 4851 HG1 SER 344 -11.369 -13.030 15.132 1.00 0.00 PRO +ATOM 4852 C SER 344 -9.246 -11.120 17.313 1.00 0.00 PRO +ATOM 4853 O SER 344 -9.230 -10.566 18.416 1.00 0.00 PRO +ATOM 4854 N ASP 345 -8.269 -11.976 16.918 1.00 0.00 PRO +ATOM 4855 HN ASP 345 -8.380 -12.445 16.034 1.00 0.00 PRO +ATOM 4856 CA ASP 345 -7.073 -12.333 17.673 1.00 0.00 PRO +ATOM 4857 HA ASP 345 -7.387 -12.746 18.621 1.00 0.00 PRO +ATOM 4858 CB ASP 345 -6.167 -13.365 16.910 1.00 0.00 PRO +ATOM 4859 HB1 ASP 345 -5.197 -13.458 17.442 1.00 0.00 PRO +ATOM 4860 HB2 ASP 345 -5.975 -12.981 15.888 1.00 0.00 PRO +ATOM 4861 CG ASP 345 -6.706 -14.794 16.796 1.00 0.00 PRO +ATOM 4862 OD1 ASP 345 -7.641 -15.191 17.526 1.00 0.00 PRO +ATOM 4863 OD2 ASP 345 -6.047 -15.583 16.040 1.00 0.00 PRO +ATOM 4864 C ASP 345 -6.223 -11.097 17.984 1.00 0.00 PRO +ATOM 4865 O ASP 345 -5.651 -10.951 19.067 1.00 0.00 PRO +ATOM 4866 N LYS 346 -6.129 -10.157 17.023 1.00 0.00 PRO +ATOM 4867 HN LYS 346 -6.581 -10.309 16.138 1.00 0.00 PRO +ATOM 4868 CA LYS 346 -5.344 -8.941 17.146 1.00 0.00 PRO +ATOM 4869 HA LYS 346 -4.563 -9.094 17.878 1.00 0.00 PRO +ATOM 4870 CB LYS 346 -4.644 -8.584 15.809 1.00 0.00 PRO +ATOM 4871 HB1 LYS 346 -4.439 -7.490 15.745 1.00 0.00 PRO +ATOM 4872 HB2 LYS 346 -5.328 -8.835 14.967 1.00 0.00 PRO +ATOM 4873 CG LYS 346 -3.286 -9.281 15.602 1.00 0.00 PRO +ATOM 4874 HG1 LYS 346 -2.585 -8.925 16.388 1.00 0.00 PRO +ATOM 4875 HG2 LYS 346 -2.879 -8.942 14.622 1.00 0.00 PRO +ATOM 4876 CD LYS 346 -3.328 -10.819 15.615 1.00 0.00 PRO +ATOM 4877 HD1 LYS 346 -4.018 -11.152 14.807 1.00 0.00 PRO +ATOM 4878 HD2 LYS 346 -3.740 -11.164 16.588 1.00 0.00 PRO +ATOM 4879 CE LYS 346 -1.941 -11.430 15.414 1.00 0.00 PRO +ATOM 4880 HE1 LYS 346 -1.271 -11.138 16.254 1.00 0.00 PRO +ATOM 4881 HE2 LYS 346 -1.489 -11.083 14.467 1.00 0.00 PRO +ATOM 4882 NZ LYS 346 -2.009 -12.900 15.369 1.00 0.00 PRO +ATOM 4883 HZ1 LYS 346 -2.640 -13.231 14.603 1.00 0.00 PRO +ATOM 4884 HZ2 LYS 346 -2.402 -13.259 16.255 1.00 0.00 PRO +ATOM 4885 HZ3 LYS 346 -1.049 -13.279 15.205 1.00 0.00 PRO +ATOM 4886 C LYS 346 -6.155 -7.780 17.691 1.00 0.00 PRO +ATOM 4887 O LYS 346 -5.679 -6.653 17.797 1.00 0.00 PRO +ATOM 4888 N GLY 347 -7.401 -8.046 18.125 1.00 0.00 PRO +ATOM 4889 HN GLY 347 -7.761 -8.968 17.973 1.00 0.00 PRO +ATOM 4890 CA GLY 347 -8.162 -7.140 18.975 1.00 0.00 PRO +ATOM 4891 HA1 GLY 347 -7.486 -6.478 19.495 1.00 0.00 PRO +ATOM 4892 HA2 GLY 347 -8.719 -7.763 19.655 1.00 0.00 PRO +ATOM 4893 C GLY 347 -9.153 -6.290 18.236 1.00 0.00 PRO +ATOM 4894 O GLY 347 -9.722 -5.356 18.813 1.00 0.00 PRO +ATOM 4895 N GLY 348 -9.403 -6.615 16.952 1.00 0.00 PRO +ATOM 4896 HN GLY 348 -8.893 -7.378 16.535 1.00 0.00 PRO +ATOM 4897 CA GLY 348 -10.326 -5.949 16.041 1.00 0.00 PRO +ATOM 4898 HA1 GLY 348 -11.327 -6.216 16.356 1.00 0.00 PRO +ATOM 4899 HA2 GLY 348 -10.094 -6.319 15.052 1.00 0.00 PRO +ATOM 4900 C GLY 348 -10.256 -4.447 15.972 1.00 0.00 PRO +ATOM 4901 O GLY 348 -9.182 -3.826 16.132 1.00 0.00 PRO +ATOM 4902 N LEU 349 -11.390 -3.769 15.755 1.00 0.00 PRO +ATOM 4903 HN LEU 349 -12.273 -4.238 15.661 1.00 0.00 PRO +ATOM 4904 CA LEU 349 -11.442 -2.324 15.578 1.00 0.00 PRO +ATOM 4905 HA LEU 349 -10.733 -2.075 14.808 1.00 0.00 PRO +ATOM 4906 CB LEU 349 -12.840 -1.838 15.139 1.00 0.00 PRO +ATOM 4907 HB1 LEU 349 -12.886 -0.725 15.159 1.00 0.00 PRO +ATOM 4908 HB2 LEU 349 -13.604 -2.222 15.854 1.00 0.00 PRO +ATOM 4909 CG LEU 349 -13.247 -2.258 13.713 1.00 0.00 PRO +ATOM 4910 HG LEU 349 -13.191 -3.369 13.633 1.00 0.00 PRO +ATOM 4911 CD1 LEU 349 -14.700 -1.848 13.457 1.00 0.00 PRO +ATOM 4912 HD11 LEU 349 -14.799 -0.742 13.476 1.00 0.00 PRO +ATOM 4913 HD12 LEU 349 -15.355 -2.277 14.244 1.00 0.00 PRO +ATOM 4914 HD13 LEU 349 -15.031 -2.216 12.463 1.00 0.00 PRO +ATOM 4915 CD2 LEU 349 -12.347 -1.633 12.636 1.00 0.00 PRO +ATOM 4916 HD21 LEU 349 -11.291 -1.956 12.744 1.00 0.00 PRO +ATOM 4917 HD22 LEU 349 -12.388 -0.524 12.693 1.00 0.00 PRO +ATOM 4918 HD23 LEU 349 -12.696 -1.938 11.626 1.00 0.00 PRO +ATOM 4919 C LEU 349 -11.034 -1.568 16.825 1.00 0.00 PRO +ATOM 4920 O LEU 349 -10.520 -0.438 16.772 1.00 0.00 PRO +ATOM 4921 N THR 350 -11.219 -2.157 18.007 1.00 0.00 PRO +ATOM 4922 HN THR 350 -11.600 -3.084 17.993 1.00 0.00 PRO +ATOM 4923 CA THR 350 -10.762 -1.587 19.271 1.00 0.00 PRO +ATOM 4924 HA THR 350 -11.160 -0.588 19.326 1.00 0.00 PRO +ATOM 4925 CB THR 350 -11.281 -2.381 20.457 1.00 0.00 PRO +ATOM 4926 HB THR 350 -11.106 -3.469 20.271 1.00 0.00 PRO +ATOM 4927 OG1 THR 350 -12.669 -2.112 20.607 1.00 0.00 PRO +ATOM 4928 HG1 THR 350 -13.108 -2.472 19.820 1.00 0.00 PRO +ATOM 4929 CG2 THR 350 -10.631 -1.998 21.798 1.00 0.00 PRO +ATOM 4930 HG21 THR 350 -10.722 -0.910 21.985 1.00 0.00 PRO +ATOM 4931 HG22 THR 350 -9.556 -2.273 21.828 1.00 0.00 PRO +ATOM 4932 HG23 THR 350 -11.132 -2.548 22.624 1.00 0.00 PRO +ATOM 4933 C THR 350 -9.268 -1.425 19.376 1.00 0.00 PRO +ATOM 4934 O THR 350 -8.777 -0.359 19.806 1.00 0.00 PRO +ATOM 4935 N GLN 351 -8.486 -2.434 18.982 1.00 0.00 PRO +ATOM 4936 HN GLN 351 -8.886 -3.289 18.627 1.00 0.00 PRO +ATOM 4937 CA GLN 351 -7.045 -2.320 18.867 1.00 0.00 PRO +ATOM 4938 HA GLN 351 -6.678 -1.901 19.791 1.00 0.00 PRO +ATOM 4939 CB GLN 351 -6.394 -3.697 18.623 1.00 0.00 PRO +ATOM 4940 HB1 GLN 351 -6.815 -4.152 17.695 1.00 0.00 PRO +ATOM 4941 HB2 GLN 351 -6.672 -4.373 19.461 1.00 0.00 PRO +ATOM 4942 CG GLN 351 -4.850 -3.668 18.499 1.00 0.00 PRO +ATOM 4943 HG1 GLN 351 -4.560 -3.113 17.581 1.00 0.00 PRO +ATOM 4944 HG2 GLN 351 -4.457 -4.699 18.389 1.00 0.00 PRO +ATOM 4945 CD GLN 351 -4.165 -3.034 19.715 1.00 0.00 PRO +ATOM 4946 OE1 GLN 351 -4.689 -2.857 20.804 1.00 0.00 PRO +ATOM 4947 NE2 GLN 351 -2.870 -2.683 19.512 1.00 0.00 PRO +ATOM 4948 HE21 GLN 351 -2.454 -2.913 18.630 1.00 0.00 PRO +ATOM 4949 HE22 GLN 351 -2.334 -2.407 20.302 1.00 0.00 PRO +ATOM 4950 C GLN 351 -6.629 -1.375 17.764 1.00 0.00 PRO +ATOM 4951 O GLN 351 -5.738 -0.522 17.944 1.00 0.00 PRO +ATOM 4952 N PHE 352 -7.303 -1.473 16.614 1.00 0.00 PRO +ATOM 4953 HN PHE 352 -8.013 -2.182 16.520 1.00 0.00 PRO +ATOM 4954 CA PHE 352 -7.058 -0.706 15.410 1.00 0.00 PRO +ATOM 4955 HA PHE 352 -6.030 -0.881 15.128 1.00 0.00 PRO +ATOM 4956 CB PHE 352 -8.017 -1.208 14.299 1.00 0.00 PRO +ATOM 4957 HB1 PHE 352 -9.065 -0.953 14.546 1.00 0.00 PRO +ATOM 4958 HB2 PHE 352 -7.939 -2.307 14.162 1.00 0.00 PRO +ATOM 4959 CG PHE 352 -7.656 -0.561 13.006 1.00 0.00 PRO +ATOM 4960 CD1 PHE 352 -6.393 -0.819 12.460 1.00 0.00 PRO +ATOM 4961 HD1 PHE 352 -5.731 -1.531 12.928 1.00 0.00 PRO +ATOM 4962 CE1 PHE 352 -5.960 -0.129 11.330 1.00 0.00 PRO +ATOM 4963 HE1 PHE 352 -4.975 -0.323 10.931 1.00 0.00 PRO +ATOM 4964 CZ PHE 352 -6.804 0.802 10.724 1.00 0.00 PRO +ATOM 4965 HZ PHE 352 -6.471 1.308 9.839 1.00 0.00 PRO +ATOM 4966 CD2 PHE 352 -8.508 0.366 12.384 1.00 0.00 PRO +ATOM 4967 HD2 PHE 352 -9.481 0.572 12.802 1.00 0.00 PRO +ATOM 4968 CE2 PHE 352 -8.079 1.053 11.244 1.00 0.00 PRO +ATOM 4969 HE2 PHE 352 -8.728 1.770 10.763 1.00 0.00 PRO +ATOM 4970 C PHE 352 -7.218 0.794 15.641 1.00 0.00 PRO +ATOM 4971 O PHE 352 -6.465 1.633 15.120 1.00 0.00 PRO +ATOM 4972 N LYS 353 -8.179 1.180 16.481 1.00 0.00 PRO +ATOM 4973 HN LYS 353 -8.772 0.467 16.871 1.00 0.00 PRO +ATOM 4974 CA LYS 353 -8.528 2.546 16.810 1.00 0.00 PRO +ATOM 4975 HA LYS 353 -8.809 3.029 15.885 1.00 0.00 PRO +ATOM 4976 CB LYS 353 -9.741 2.525 17.766 1.00 0.00 PRO +ATOM 4977 HB1 LYS 353 -9.491 1.896 18.651 1.00 0.00 PRO +ATOM 4978 HB2 LYS 353 -10.572 2.017 17.225 1.00 0.00 PRO +ATOM 4979 CG LYS 353 -10.232 3.896 18.243 1.00 0.00 PRO +ATOM 4980 HG1 LYS 353 -10.418 4.539 17.352 1.00 0.00 PRO +ATOM 4981 HG2 LYS 353 -9.455 4.392 18.868 1.00 0.00 PRO +ATOM 4982 CD LYS 353 -11.519 3.745 19.063 1.00 0.00 PRO +ATOM 4983 HD1 LYS 353 -11.265 3.147 19.967 1.00 0.00 PRO +ATOM 4984 HD2 LYS 353 -12.252 3.168 18.452 1.00 0.00 PRO +ATOM 4985 CE LYS 353 -12.138 5.079 19.465 1.00 0.00 PRO +ATOM 4986 HE1 LYS 353 -12.503 5.619 18.564 1.00 0.00 PRO +ATOM 4987 HE2 LYS 353 -11.402 5.723 19.981 1.00 0.00 PRO +ATOM 4988 NZ LYS 353 -13.285 4.839 20.364 1.00 0.00 PRO +ATOM 4989 HZ1 LYS 353 -12.983 4.431 21.274 1.00 0.00 PRO +ATOM 4990 HZ2 LYS 353 -13.939 4.182 19.880 1.00 0.00 PRO +ATOM 4991 HZ3 LYS 353 -13.778 5.741 20.516 1.00 0.00 PRO +ATOM 4992 C LYS 353 -7.382 3.345 17.408 1.00 0.00 PRO +ATOM 4993 O LYS 353 -7.293 4.579 17.259 1.00 0.00 PRO +ATOM 4994 N LYS 354 -6.458 2.672 18.105 1.00 0.00 PRO +ATOM 4995 HN LYS 354 -6.551 1.675 18.181 1.00 0.00 PRO +ATOM 4996 CA LYS 354 -5.214 3.233 18.595 1.00 0.00 PRO +ATOM 4997 HA LYS 354 -5.459 4.084 19.212 1.00 0.00 PRO +ATOM 4998 CB LYS 354 -4.441 2.191 19.437 1.00 0.00 PRO +ATOM 4999 HB1 LYS 354 -3.514 2.661 19.840 1.00 0.00 PRO +ATOM 5000 HB2 LYS 354 -4.135 1.347 18.776 1.00 0.00 PRO +ATOM 5001 CG LYS 354 -5.254 1.616 20.608 1.00 0.00 PRO +ATOM 5002 HG1 LYS 354 -6.199 1.170 20.218 1.00 0.00 PRO +ATOM 5003 HG2 LYS 354 -5.531 2.435 21.306 1.00 0.00 PRO +ATOM 5004 CD LYS 354 -4.478 0.512 21.344 1.00 0.00 PRO +ATOM 5005 HD1 LYS 354 -3.537 0.942 21.755 1.00 0.00 PRO +ATOM 5006 HD2 LYS 354 -4.202 -0.255 20.583 1.00 0.00 PRO +ATOM 5007 CE LYS 354 -5.286 -0.152 22.464 1.00 0.00 PRO +ATOM 5008 HE1 LYS 354 -6.240 -0.553 22.053 1.00 0.00 PRO +ATOM 5009 HE2 LYS 354 -5.511 0.588 23.262 1.00 0.00 PRO +ATOM 5010 NZ LYS 354 -4.526 -1.276 23.049 1.00 0.00 PRO +ATOM 5011 HZ1 LYS 354 -3.548 -0.969 23.291 1.00 0.00 PRO +ATOM 5012 HZ2 LYS 354 -4.451 -2.033 22.318 1.00 0.00 PRO +ATOM 5013 HZ3 LYS 354 -4.988 -1.683 23.888 1.00 0.00 PRO +ATOM 5014 C LYS 354 -4.313 3.726 17.477 1.00 0.00 PRO +ATOM 5015 O LYS 354 -3.732 4.826 17.591 1.00 0.00 PRO +ATOM 5016 N ALA 355 -4.187 2.985 16.368 1.00 0.00 PRO +ATOM 5017 HN ALA 355 -4.721 2.138 16.254 1.00 0.00 PRO +ATOM 5018 CA ALA 355 -3.439 3.372 15.185 1.00 0.00 PRO +ATOM 5019 HA ALA 355 -2.422 3.588 15.483 1.00 0.00 PRO +ATOM 5020 CB ALA 355 -3.429 2.230 14.150 1.00 0.00 PRO +ATOM 5021 HB1 ALA 355 -4.439 2.043 13.728 1.00 0.00 PRO +ATOM 5022 HB2 ALA 355 -3.073 1.286 14.615 1.00 0.00 PRO +ATOM 5023 HB3 ALA 355 -2.745 2.474 13.307 1.00 0.00 PRO +ATOM 5024 C ALA 355 -3.987 4.637 14.549 1.00 0.00 PRO +ATOM 5025 O ALA 355 -3.254 5.578 14.249 1.00 0.00 PRO +ATOM 5026 N THR 356 -5.323 4.735 14.422 1.00 0.00 PRO +ATOM 5027 HN THR 356 -5.909 3.957 14.657 1.00 0.00 PRO +ATOM 5028 CA THR 356 -5.975 5.899 13.827 1.00 0.00 PRO +ATOM 5029 HA THR 356 -5.390 6.199 12.968 1.00 0.00 PRO +ATOM 5030 CB THR 356 -7.398 5.614 13.350 1.00 0.00 PRO +ATOM 5031 HB THR 356 -7.886 6.542 12.968 1.00 0.00 PRO +ATOM 5032 OG1 THR 356 -8.213 5.043 14.370 1.00 0.00 PRO +ATOM 5033 HG1 THR 356 -8.179 5.629 15.130 1.00 0.00 PRO +ATOM 5034 CG2 THR 356 -7.340 4.608 12.191 1.00 0.00 PRO +ATOM 5035 HG21 THR 356 -6.901 3.641 12.519 1.00 0.00 PRO +ATOM 5036 HG22 THR 356 -6.722 5.002 11.358 1.00 0.00 PRO +ATOM 5037 HG23 THR 356 -8.360 4.404 11.804 1.00 0.00 PRO +ATOM 5038 C THR 356 -6.022 7.090 14.763 1.00 0.00 PRO +ATOM 5039 O THR 356 -6.259 8.229 14.331 1.00 0.00 PRO +ATOM 5040 N SER 357 -5.825 6.873 16.075 1.00 0.00 PRO +ATOM 5041 HN SER 357 -5.697 5.927 16.383 1.00 0.00 PRO +ATOM 5042 CA SER 357 -5.686 7.930 17.076 1.00 0.00 PRO +ATOM 5043 HA SER 357 -6.381 8.724 16.847 1.00 0.00 PRO +ATOM 5044 CB SER 357 -5.934 7.437 18.526 1.00 0.00 PRO +ATOM 5045 HB1 SER 357 -5.818 8.286 19.238 1.00 0.00 PRO +ATOM 5046 HB2 SER 357 -5.194 6.651 18.800 1.00 0.00 PRO +ATOM 5047 OG SER 357 -7.249 6.910 18.679 1.00 0.00 PRO +ATOM 5048 HG1 SER 357 -7.289 6.096 18.142 1.00 0.00 PRO +ATOM 5049 C SER 357 -4.295 8.521 17.090 1.00 0.00 PRO +ATOM 5050 O SER 357 -4.093 9.656 17.548 1.00 0.00 PRO +ATOM 5051 N GLY 358 -3.299 7.764 16.608 1.00 0.00 PRO +ATOM 5052 HN GLY 358 -3.500 6.836 16.279 1.00 0.00 PRO +ATOM 5053 CA GLY 358 -1.940 8.223 16.378 1.00 0.00 PRO +ATOM 5054 HA1 GLY 358 -1.297 7.356 16.426 1.00 0.00 PRO +ATOM 5055 HA2 GLY 358 -1.686 8.985 17.101 1.00 0.00 PRO +ATOM 5056 C GLY 358 -1.765 8.842 15.023 1.00 0.00 PRO +ATOM 5057 O GLY 358 -2.716 9.314 14.391 1.00 0.00 PRO +ATOM 5058 N GLY 359 -0.514 8.885 14.549 1.00 0.00 PRO +ATOM 5059 HN GLY 359 0.250 8.535 15.089 1.00 0.00 PRO +ATOM 5060 CA GLY 359 -0.175 9.283 13.193 1.00 0.00 PRO +ATOM 5061 HA1 GLY 359 0.782 9.781 13.224 1.00 0.00 PRO +ATOM 5062 HA2 GLY 359 -0.962 9.886 12.767 1.00 0.00 PRO +ATOM 5063 C GLY 359 -0.001 8.064 12.335 1.00 0.00 PRO +ATOM 5064 O GLY 359 0.370 6.998 12.791 1.00 0.00 PRO +ATOM 5065 N MET 360 -0.291 8.240 11.035 1.00 0.00 PRO +ATOM 5066 HN MET 360 -0.646 9.096 10.695 1.00 0.00 PRO +ATOM 5067 CA MET 360 -0.053 7.232 10.043 1.00 0.00 PRO +ATOM 5068 HA MET 360 0.782 6.613 10.350 1.00 0.00 PRO +ATOM 5069 CB MET 360 -1.313 6.366 9.757 1.00 0.00 PRO +ATOM 5070 HB1 MET 360 -1.000 5.542 9.080 1.00 0.00 PRO +ATOM 5071 HB2 MET 360 -2.077 6.988 9.238 1.00 0.00 PRO +ATOM 5072 CG MET 360 -1.983 5.751 11.006 1.00 0.00 PRO +ATOM 5073 HG1 MET 360 -2.331 6.580 11.661 1.00 0.00 PRO +ATOM 5074 HG2 MET 360 -1.210 5.198 11.579 1.00 0.00 PRO +ATOM 5075 SD MET 360 -3.399 4.655 10.661 1.00 0.00 PRO +ATOM 5076 CE MET 360 -2.476 3.191 10.104 1.00 0.00 PRO +ATOM 5077 HE1 MET 360 -1.816 2.793 10.905 1.00 0.00 PRO +ATOM 5078 HE2 MET 360 -1.837 3.422 9.227 1.00 0.00 PRO +ATOM 5079 HE3 MET 360 -3.167 2.375 9.802 1.00 0.00 PRO +ATOM 5080 C MET 360 0.370 7.968 8.790 1.00 0.00 PRO +ATOM 5081 O MET 360 -0.174 9.038 8.456 1.00 0.00 PRO +ATOM 5082 N VAL 361 1.356 7.424 8.073 1.00 0.00 PRO +ATOM 5083 HN VAL 361 1.738 6.540 8.364 1.00 0.00 PRO +ATOM 5084 CA VAL 361 1.956 7.996 6.888 1.00 0.00 PRO +ATOM 5085 HA VAL 361 1.879 9.075 6.938 1.00 0.00 PRO +ATOM 5086 CB VAL 361 3.435 7.624 6.781 1.00 0.00 PRO +ATOM 5087 HB VAL 361 3.542 6.514 6.857 1.00 0.00 PRO +ATOM 5088 CG1 VAL 361 4.058 8.076 5.441 1.00 0.00 PRO +ATOM 5089 HG11 VAL 361 3.882 9.158 5.266 1.00 0.00 PRO +ATOM 5090 HG12 VAL 361 3.643 7.499 4.587 1.00 0.00 PRO +ATOM 5091 HG13 VAL 361 5.155 7.895 5.461 1.00 0.00 PRO +ATOM 5092 CG2 VAL 361 4.179 8.268 7.968 1.00 0.00 PRO +ATOM 5093 HG21 VAL 361 3.815 7.876 8.943 1.00 0.00 PRO +ATOM 5094 HG22 VAL 361 4.033 9.368 7.979 1.00 0.00 PRO +ATOM 5095 HG23 VAL 361 5.268 8.059 7.908 1.00 0.00 PRO +ATOM 5096 C VAL 361 1.187 7.529 5.670 1.00 0.00 PRO +ATOM 5097 O VAL 361 0.930 6.341 5.499 1.00 0.00 PRO +ATOM 5098 N LEU 362 0.758 8.474 4.804 1.00 0.00 PRO +ATOM 5099 HN LEU 362 0.940 9.429 5.001 1.00 0.00 PRO +ATOM 5100 CA LEU 362 0.132 8.163 3.528 1.00 0.00 PRO +ATOM 5101 HA LEU 362 -0.673 7.464 3.720 1.00 0.00 PRO +ATOM 5102 CB LEU 362 -0.448 9.443 2.867 1.00 0.00 PRO +ATOM 5103 HB1 LEU 362 0.384 10.170 2.750 1.00 0.00 PRO +ATOM 5104 HB2 LEU 362 -1.186 9.888 3.567 1.00 0.00 PRO +ATOM 5105 CG LEU 362 -1.127 9.266 1.488 1.00 0.00 PRO +ATOM 5106 HG LEU 362 -0.389 8.838 0.767 1.00 0.00 PRO +ATOM 5107 CD1 LEU 362 -2.330 8.318 1.540 1.00 0.00 PRO +ATOM 5108 HD11 LEU 362 -3.099 8.687 2.248 1.00 0.00 PRO +ATOM 5109 HD12 LEU 362 -2.028 7.298 1.853 1.00 0.00 PRO +ATOM 5110 HD13 LEU 362 -2.790 8.237 0.534 1.00 0.00 PRO +ATOM 5111 CD2 LEU 362 -1.583 10.620 0.926 1.00 0.00 PRO +ATOM 5112 HD21 LEU 362 -0.713 11.293 0.791 1.00 0.00 PRO +ATOM 5113 HD22 LEU 362 -2.309 11.096 1.619 1.00 0.00 PRO +ATOM 5114 HD23 LEU 362 -2.074 10.470 -0.059 1.00 0.00 PRO +ATOM 5115 C LEU 362 1.085 7.487 2.552 1.00 0.00 PRO +ATOM 5116 O LEU 362 2.184 7.977 2.293 1.00 0.00 PRO +ATOM 5117 N VAL 363 0.634 6.365 1.964 1.00 0.00 PRO +ATOM 5118 HN VAL 363 -0.264 5.978 2.202 1.00 0.00 PRO +ATOM 5119 CA VAL 363 1.364 5.583 0.998 1.00 0.00 PRO +ATOM 5120 HA VAL 363 2.292 6.081 0.759 1.00 0.00 PRO +ATOM 5121 CB VAL 363 1.661 4.166 1.477 1.00 0.00 PRO +ATOM 5122 HB VAL 363 0.738 3.539 1.449 1.00 0.00 PRO +ATOM 5123 CG1 VAL 363 2.741 3.532 0.577 1.00 0.00 PRO +ATOM 5124 HG11 VAL 363 3.611 4.208 0.459 1.00 0.00 PRO +ATOM 5125 HG12 VAL 363 2.333 3.284 -0.424 1.00 0.00 PRO +ATOM 5126 HG13 VAL 363 3.102 2.589 1.039 1.00 0.00 PRO +ATOM 5127 CG2 VAL 363 2.121 4.178 2.946 1.00 0.00 PRO +ATOM 5128 HG21 VAL 363 1.282 4.462 3.618 1.00 0.00 PRO +ATOM 5129 HG22 VAL 363 2.955 4.883 3.115 1.00 0.00 PRO +ATOM 5130 HG23 VAL 363 2.451 3.159 3.242 1.00 0.00 PRO +ATOM 5131 C VAL 363 0.515 5.516 -0.255 1.00 0.00 PRO +ATOM 5132 O VAL 363 -0.720 5.450 -0.198 1.00 0.00 PRO +ATOM 5133 N MET 364 1.146 5.563 -1.433 1.00 0.00 PRO +ATOM 5134 HN MET 364 2.148 5.644 -1.448 1.00 0.00 PRO +ATOM 5135 CA MET 364 0.484 5.357 -2.703 1.00 0.00 PRO +ATOM 5136 HA MET 364 -0.420 4.783 -2.552 1.00 0.00 PRO +ATOM 5137 CB MET 364 0.151 6.687 -3.435 1.00 0.00 PRO +ATOM 5138 HB1 MET 364 -0.203 6.459 -4.466 1.00 0.00 PRO +ATOM 5139 HB2 MET 364 1.087 7.279 -3.512 1.00 0.00 PRO +ATOM 5140 CG MET 364 -0.953 7.511 -2.736 1.00 0.00 PRO +ATOM 5141 HG1 MET 364 -0.734 7.577 -1.649 1.00 0.00 PRO +ATOM 5142 HG2 MET 364 -1.897 6.928 -2.829 1.00 0.00 PRO +ATOM 5143 SD MET 364 -1.193 9.195 -3.385 1.00 0.00 PRO +ATOM 5144 CE MET 364 0.270 9.906 -2.571 1.00 0.00 PRO +ATOM 5145 HE1 MET 364 1.205 9.418 -2.922 1.00 0.00 PRO +ATOM 5146 HE2 MET 364 0.218 9.769 -1.469 1.00 0.00 PRO +ATOM 5147 HE3 MET 364 0.357 10.992 -2.777 1.00 0.00 PRO +ATOM 5148 C MET 364 1.409 4.507 -3.546 1.00 0.00 PRO +ATOM 5149 O MET 364 2.606 4.745 -3.612 1.00 0.00 PRO +ATOM 5150 N SER 365 0.866 3.456 -4.185 1.00 0.00 PRO +ATOM 5151 HN SER 365 -0.110 3.238 -4.123 1.00 0.00 PRO +ATOM 5152 CA SER 365 1.696 2.478 -4.855 1.00 0.00 PRO +ATOM 5153 HA SER 365 2.600 2.959 -5.204 1.00 0.00 PRO +ATOM 5154 CB SER 365 2.104 1.280 -3.938 1.00 0.00 PRO +ATOM 5155 HB1 SER 365 2.632 1.692 -3.050 1.00 0.00 PRO +ATOM 5156 HB2 SER 365 2.809 0.595 -4.459 1.00 0.00 PRO +ATOM 5157 OG SER 365 0.973 0.532 -3.492 1.00 0.00 PRO +ATOM 5158 HG1 SER 365 1.305 -0.191 -2.925 1.00 0.00 PRO +ATOM 5159 C SER 365 1.024 1.951 -6.094 1.00 0.00 PRO +ATOM 5160 O SER 365 -0.163 2.208 -6.374 1.00 0.00 PRO +ATOM 5161 N LEU 366 1.786 1.223 -6.904 1.00 0.00 PRO +ATOM 5162 HN LEU 366 2.755 1.078 -6.682 1.00 0.00 PRO +ATOM 5163 CA LEU 366 1.284 0.444 -8.005 1.00 0.00 PRO +ATOM 5164 HA LEU 366 0.263 0.151 -7.811 1.00 0.00 PRO +ATOM 5165 CB LEU 366 1.419 1.211 -9.344 1.00 0.00 PRO +ATOM 5166 HB1 LEU 366 2.478 1.528 -9.467 1.00 0.00 PRO +ATOM 5167 HB2 LEU 366 0.805 2.133 -9.263 1.00 0.00 PRO +ATOM 5168 CG LEU 366 0.991 0.440 -10.611 1.00 0.00 PRO +ATOM 5169 HG LEU 366 1.671 -0.437 -10.739 1.00 0.00 PRO +ATOM 5170 CD1 LEU 366 -0.447 -0.089 -10.527 1.00 0.00 PRO +ATOM 5171 HD11 LEU 366 -1.163 0.743 -10.362 1.00 0.00 PRO +ATOM 5172 HD12 LEU 366 -0.556 -0.817 -9.697 1.00 0.00 PRO +ATOM 5173 HD13 LEU 366 -0.715 -0.612 -11.468 1.00 0.00 PRO +ATOM 5174 CD2 LEU 366 1.144 1.335 -11.847 1.00 0.00 PRO +ATOM 5175 HD21 LEU 366 2.188 1.701 -11.937 1.00 0.00 PRO +ATOM 5176 HD22 LEU 366 0.472 2.214 -11.775 1.00 0.00 PRO +ATOM 5177 HD23 LEU 366 0.883 0.772 -12.766 1.00 0.00 PRO +ATOM 5178 C LEU 366 2.155 -0.791 -8.012 1.00 0.00 PRO +ATOM 5179 O LEU 366 3.360 -0.690 -7.913 1.00 0.00 PRO +ATOM 5180 N TRP 367 1.531 -1.988 -8.089 1.00 0.00 PRO +ATOM 5181 HN TRP 367 0.540 -2.079 -8.125 1.00 0.00 PRO +ATOM 5182 CA TRP 367 2.274 -3.218 -7.958 1.00 0.00 PRO +ATOM 5183 HA TRP 367 3.209 -3.129 -8.497 1.00 0.00 PRO +ATOM 5184 CB TRP 367 2.567 -3.558 -6.457 1.00 0.00 PRO +ATOM 5185 HB1 TRP 367 3.179 -2.726 -6.045 1.00 0.00 PRO +ATOM 5186 HB2 TRP 367 3.210 -4.466 -6.415 1.00 0.00 PRO +ATOM 5187 CG TRP 367 1.389 -3.762 -5.549 1.00 0.00 PRO +ATOM 5188 CD1 TRP 367 0.550 -2.788 -5.056 1.00 0.00 PRO +ATOM 5189 HD1 TRP 367 0.590 -1.741 -5.333 1.00 0.00 PRO +ATOM 5190 NE1 TRP 367 -0.329 -3.343 -4.154 1.00 0.00 PRO +ATOM 5191 HE1 TRP 367 -0.898 -2.883 -3.495 1.00 0.00 PRO +ATOM 5192 CE2 TRP 367 -0.082 -4.676 -4.038 1.00 0.00 PRO +ATOM 5193 CD2 TRP 367 0.998 -4.988 -4.889 1.00 0.00 PRO +ATOM 5194 CE3 TRP 367 1.498 -6.293 -4.906 1.00 0.00 PRO +ATOM 5195 HE3 TRP 367 2.349 -6.563 -5.506 1.00 0.00 PRO +ATOM 5196 CZ3 TRP 367 0.896 -7.254 -4.087 1.00 0.00 PRO +ATOM 5197 HZ3 TRP 367 1.285 -8.267 -4.066 1.00 0.00 PRO +ATOM 5198 CZ2 TRP 367 -0.679 -5.626 -3.223 1.00 0.00 PRO +ATOM 5199 HZ2 TRP 367 -1.474 -5.364 -2.543 1.00 0.00 PRO +ATOM 5200 CH2 TRP 367 -0.171 -6.925 -3.259 1.00 0.00 PRO +ATOM 5201 HH2 TRP 367 -0.590 -7.687 -2.613 1.00 0.00 PRO +ATOM 5202 C TRP 367 1.510 -4.342 -8.620 1.00 0.00 PRO +ATOM 5203 O TRP 367 0.296 -4.225 -8.887 1.00 0.00 PRO +ATOM 5204 N ASP 368 2.202 -5.444 -8.909 1.00 0.00 PRO +ATOM 5205 HN ASP 368 3.203 -5.512 -8.841 1.00 0.00 PRO +ATOM 5206 CA ASP 368 1.636 -6.716 -9.268 1.00 0.00 PRO +ATOM 5207 HA ASP 368 0.567 -6.677 -9.124 1.00 0.00 PRO +ATOM 5208 CB ASP 368 1.898 -7.096 -10.751 1.00 0.00 PRO +ATOM 5209 HB1 ASP 368 1.477 -6.307 -11.404 1.00 0.00 PRO +ATOM 5210 HB2 ASP 368 1.378 -8.046 -10.986 1.00 0.00 PRO +ATOM 5211 CG ASP 368 3.368 -7.265 -11.117 1.00 0.00 PRO +ATOM 5212 OD1 ASP 368 4.252 -6.803 -10.404 1.00 0.00 PRO +ATOM 5213 OD2 ASP 368 3.564 -7.828 -12.257 1.00 0.00 PRO +ATOM 5214 C ASP 368 2.190 -7.724 -8.254 1.00 0.00 PRO +ATOM 5215 O ASP 368 3.166 -7.509 -7.569 1.00 0.00 PRO +ATOM 5216 N ASP 369 1.444 -8.847 -8.101 1.00 0.00 PRO +ATOM 5217 HN ASP 369 0.681 -9.019 -8.705 1.00 0.00 PRO +ATOM 5218 CA ASP 369 1.644 -9.774 -7.015 1.00 0.00 PRO +ATOM 5219 HA ASP 369 2.247 -9.301 -6.239 1.00 0.00 PRO +ATOM 5220 CB ASP 369 0.268 -10.114 -6.387 1.00 0.00 PRO +ATOM 5221 HB1 ASP 369 -0.375 -10.522 -7.192 1.00 0.00 PRO +ATOM 5222 HB2 ASP 369 -0.203 -9.181 -6.011 1.00 0.00 PRO +ATOM 5223 CG ASP 369 0.228 -11.125 -5.256 1.00 0.00 PRO +ATOM 5224 OD1 ASP 369 1.332 -11.684 -4.881 1.00 0.00 PRO +ATOM 5225 OD2 ASP 369 -0.863 -11.477 -4.837 1.00 0.00 PRO +ATOM 5226 C ASP 369 2.418 -10.995 -7.467 1.00 0.00 PRO +ATOM 5227 O ASP 369 1.978 -11.768 -8.380 1.00 0.00 PRO +ATOM 5228 N TYR 370 3.549 -11.264 -6.849 1.00 0.00 PRO +ATOM 5229 HN TYR 370 3.783 -10.673 -6.062 1.00 0.00 PRO +ATOM 5230 CA TYR 370 4.461 -12.348 -7.151 1.00 0.00 PRO +ATOM 5231 HA TYR 370 4.288 -12.675 -8.169 1.00 0.00 PRO +ATOM 5232 CB TYR 370 5.933 -11.880 -6.981 1.00 0.00 PRO +ATOM 5233 HB1 TYR 370 6.618 -12.724 -6.750 1.00 0.00 PRO +ATOM 5234 HB2 TYR 370 5.998 -11.157 -6.139 1.00 0.00 PRO +ATOM 5235 CG TYR 370 6.452 -11.212 -8.231 1.00 0.00 PRO +ATOM 5236 CD1 TYR 370 6.187 -9.862 -8.517 1.00 0.00 PRO +ATOM 5237 HD1 TYR 370 5.532 -9.288 -7.876 1.00 0.00 PRO +ATOM 5238 CE1 TYR 370 6.751 -9.244 -9.648 1.00 0.00 PRO +ATOM 5239 HE1 TYR 370 6.520 -8.212 -9.871 1.00 0.00 PRO +ATOM 5240 CZ TYR 370 7.602 -9.969 -10.490 1.00 0.00 PRO +ATOM 5241 OH TYR 370 8.209 -9.343 -11.607 1.00 0.00 PRO +ATOM 5242 HH TYR 370 7.603 -8.673 -11.966 1.00 0.00 PRO +ATOM 5243 CD2 TYR 370 7.275 -11.938 -9.111 1.00 0.00 PRO +ATOM 5244 HD2 TYR 370 7.479 -12.978 -8.916 1.00 0.00 PRO +ATOM 5245 CE2 TYR 370 7.852 -11.318 -10.230 1.00 0.00 PRO +ATOM 5246 HE2 TYR 370 8.484 -11.888 -10.897 1.00 0.00 PRO +ATOM 5247 C TYR 370 4.216 -13.573 -6.287 1.00 0.00 PRO +ATOM 5248 O TYR 370 4.971 -14.558 -6.368 1.00 0.00 PRO +ATOM 5249 N TYR 371 3.181 -13.566 -5.436 1.00 0.00 PRO +ATOM 5250 HN TYR 371 2.588 -12.741 -5.347 1.00 0.00 PRO +ATOM 5251 CA TYR 371 2.933 -14.617 -4.467 1.00 0.00 PRO +ATOM 5252 HA TYR 371 3.631 -15.425 -4.623 1.00 0.00 PRO +ATOM 5253 CB TYR 371 3.083 -14.074 -3.025 1.00 0.00 PRO +ATOM 5254 HB1 TYR 371 2.714 -14.801 -2.271 1.00 0.00 PRO +ATOM 5255 HB2 TYR 371 2.511 -13.124 -2.908 1.00 0.00 PRO +ATOM 5256 CG TYR 371 4.538 -13.811 -2.755 1.00 0.00 PRO +ATOM 5257 CD1 TYR 371 5.130 -12.596 -3.127 1.00 0.00 PRO +ATOM 5258 HD1 TYR 371 4.526 -11.862 -3.634 1.00 0.00 PRO +ATOM 5259 CE1 TYR 371 6.489 -12.358 -2.899 1.00 0.00 PRO +ATOM 5260 HE1 TYR 371 6.932 -11.419 -3.197 1.00 0.00 PRO +ATOM 5261 CZ TYR 371 7.272 -13.340 -2.287 1.00 0.00 PRO +ATOM 5262 OH TYR 371 8.643 -13.092 -2.085 1.00 0.00 PRO +ATOM 5263 HH TYR 371 9.015 -13.833 -1.605 1.00 0.00 PRO +ATOM 5264 CD2 TYR 371 5.329 -14.786 -2.132 1.00 0.00 PRO +ATOM 5265 HD2 TYR 371 4.867 -15.719 -1.854 1.00 0.00 PRO +ATOM 5266 CE2 TYR 371 6.693 -14.556 -1.895 1.00 0.00 PRO +ATOM 5267 HE2 TYR 371 7.292 -15.315 -1.417 1.00 0.00 PRO +ATOM 5268 C TYR 371 1.572 -15.249 -4.601 1.00 0.00 PRO +ATOM 5269 O TYR 371 1.449 -16.478 -4.422 1.00 0.00 PRO +ATOM 5270 N ALA 372 0.522 -14.476 -4.892 1.00 0.00 PRO +ATOM 5271 HN ALA 372 0.623 -13.464 -4.884 1.00 0.00 PRO +ATOM 5272 CA ALA 372 -0.812 -15.018 -5.073 1.00 0.00 PRO +ATOM 5273 HA ALA 372 -0.772 -16.096 -5.152 1.00 0.00 PRO +ATOM 5274 CB ALA 372 -1.676 -14.624 -3.863 1.00 0.00 PRO +ATOM 5275 HB1 ALA 372 -1.713 -13.517 -3.774 1.00 0.00 PRO +ATOM 5276 HB2 ALA 372 -1.218 -15.024 -2.936 1.00 0.00 PRO +ATOM 5277 HB3 ALA 372 -2.709 -15.016 -3.962 1.00 0.00 PRO +ATOM 5278 C ALA 372 -1.463 -14.535 -6.349 1.00 0.00 PRO +ATOM 5279 O ALA 372 -2.578 -14.983 -6.682 1.00 0.00 PRO +ATOM 5280 N ASN 373 -0.818 -13.637 -7.105 1.00 0.00 PRO +ATOM 5281 HN ASN 373 0.013 -13.219 -6.727 1.00 0.00 PRO +ATOM 5282 CA ASN 373 -1.198 -13.207 -8.445 1.00 0.00 PRO +ATOM 5283 HA ASN 373 -0.398 -12.573 -8.797 1.00 0.00 PRO +ATOM 5284 CB ASN 373 -1.339 -14.395 -9.454 1.00 0.00 PRO +ATOM 5285 HB1 ASN 373 -1.585 -14.013 -10.464 1.00 0.00 PRO +ATOM 5286 HB2 ASN 373 -2.163 -15.067 -9.148 1.00 0.00 PRO +ATOM 5287 CG ASN 373 -0.069 -15.233 -9.562 1.00 0.00 PRO +ATOM 5288 OD1 ASN 373 -0.121 -16.466 -9.728 1.00 0.00 PRO +ATOM 5289 ND2 ASN 373 1.122 -14.610 -9.422 1.00 0.00 PRO +ATOM 5290 HD21 ASN 373 1.145 -13.621 -9.227 1.00 0.00 PRO +ATOM 5291 HD22 ASN 373 1.948 -15.152 -9.442 1.00 0.00 PRO +ATOM 5292 C ASN 373 -2.398 -12.272 -8.442 1.00 0.00 PRO +ATOM 5293 O ASN 373 -3.028 -12.044 -9.479 1.00 0.00 PRO +ATOM 5294 N MET 374 -2.727 -11.697 -7.266 1.00 0.00 PRO +ATOM 5295 HN MET 374 -2.146 -11.882 -6.462 1.00 0.00 PRO +ATOM 5296 CA MET 374 -3.760 -10.698 -7.043 1.00 0.00 PRO +ATOM 5297 HA MET 374 -3.603 -10.333 -6.041 1.00 0.00 PRO +ATOM 5298 CB MET 374 -3.662 -9.494 -8.019 1.00 0.00 PRO +ATOM 5299 HB1 MET 374 -4.329 -9.655 -8.893 1.00 0.00 PRO +ATOM 5300 HB2 MET 374 -2.621 -9.444 -8.409 1.00 0.00 PRO +ATOM 5301 CG MET 374 -3.997 -8.145 -7.354 1.00 0.00 PRO +ATOM 5302 HG1 MET 374 -4.998 -8.237 -6.880 1.00 0.00 PRO +ATOM 5303 HG2 MET 374 -4.088 -7.368 -8.144 1.00 0.00 PRO +ATOM 5304 SD MET 374 -2.788 -7.606 -6.105 1.00 0.00 PRO +ATOM 5305 CE MET 374 -1.517 -7.056 -7.275 1.00 0.00 PRO +ATOM 5306 HE1 MET 374 -1.909 -6.283 -7.964 1.00 0.00 PRO +ATOM 5307 HE2 MET 374 -1.149 -7.897 -7.897 1.00 0.00 PRO +ATOM 5308 HE3 MET 374 -0.645 -6.621 -6.741 1.00 0.00 PRO +ATOM 5309 C MET 374 -5.152 -11.322 -7.049 1.00 0.00 PRO +ATOM 5310 O MET 374 -6.180 -10.657 -7.028 1.00 0.00 PRO +ATOM 5311 N LEU 375 -5.212 -12.669 -6.973 1.00 0.00 PRO +ATOM 5312 HN LEU 375 -4.364 -13.189 -6.948 1.00 0.00 PRO +ATOM 5313 CA LEU 375 -6.441 -13.422 -7.139 1.00 0.00 PRO +ATOM 5314 HA LEU 375 -6.967 -13.028 -7.999 1.00 0.00 PRO +ATOM 5315 CB LEU 375 -6.106 -14.924 -7.342 1.00 0.00 PRO +ATOM 5316 HB1 LEU 375 -7.038 -15.526 -7.407 1.00 0.00 PRO +ATOM 5317 HB2 LEU 375 -5.532 -15.264 -6.451 1.00 0.00 PRO +ATOM 5318 CG LEU 375 -5.237 -15.239 -8.582 1.00 0.00 PRO +ATOM 5319 HG LEU 375 -4.321 -14.603 -8.542 1.00 0.00 PRO +ATOM 5320 CD1 LEU 375 -4.779 -16.705 -8.562 1.00 0.00 PRO +ATOM 5321 HD11 LEU 375 -5.656 -17.377 -8.636 1.00 0.00 PRO +ATOM 5322 HD12 LEU 375 -4.226 -16.927 -7.624 1.00 0.00 PRO +ATOM 5323 HD13 LEU 375 -4.106 -16.903 -9.423 1.00 0.00 PRO +ATOM 5324 CD2 LEU 375 -5.948 -14.930 -9.906 1.00 0.00 PRO +ATOM 5325 HD21 LEU 375 -6.218 -13.852 -9.964 1.00 0.00 PRO +ATOM 5326 HD22 LEU 375 -6.870 -15.537 -10.006 1.00 0.00 PRO +ATOM 5327 HD23 LEU 375 -5.275 -15.158 -10.760 1.00 0.00 PRO +ATOM 5328 C LEU 375 -7.352 -13.266 -5.937 1.00 0.00 PRO +ATOM 5329 O LEU 375 -8.569 -13.488 -6.004 1.00 0.00 PRO +ATOM 5330 N TRP 376 -6.789 -12.828 -4.801 1.00 0.00 PRO +ATOM 5331 HN TRP 376 -5.818 -12.591 -4.809 1.00 0.00 PRO +ATOM 5332 CA TRP 376 -7.494 -12.537 -3.575 1.00 0.00 PRO +ATOM 5333 HA TRP 376 -8.185 -13.343 -3.382 1.00 0.00 PRO +ATOM 5334 CB TRP 376 -6.498 -12.448 -2.383 1.00 0.00 PRO +ATOM 5335 HB1 TRP 376 -6.070 -13.464 -2.233 1.00 0.00 PRO +ATOM 5336 HB2 TRP 376 -7.046 -12.188 -1.450 1.00 0.00 PRO +ATOM 5337 CG TRP 376 -5.369 -11.483 -2.569 1.00 0.00 PRO +ATOM 5338 CD1 TRP 376 -4.130 -11.773 -3.084 1.00 0.00 PRO +ATOM 5339 HD1 TRP 376 -3.792 -12.767 -3.338 1.00 0.00 PRO +ATOM 5340 NE1 TRP 376 -3.403 -10.617 -3.231 1.00 0.00 PRO +ATOM 5341 HE1 TRP 376 -2.494 -10.546 -3.612 1.00 0.00 PRO +ATOM 5342 CE2 TRP 376 -4.156 -9.557 -2.803 1.00 0.00 PRO +ATOM 5343 CD2 TRP 376 -5.401 -10.059 -2.361 1.00 0.00 PRO +ATOM 5344 CE3 TRP 376 -6.367 -9.182 -1.856 1.00 0.00 PRO +ATOM 5345 HE3 TRP 376 -7.318 -9.528 -1.475 1.00 0.00 PRO +ATOM 5346 CZ3 TRP 376 -6.088 -7.813 -1.865 1.00 0.00 PRO +ATOM 5347 HZ3 TRP 376 -6.830 -7.113 -1.492 1.00 0.00 PRO +ATOM 5348 CZ2 TRP 376 -3.877 -8.201 -2.792 1.00 0.00 PRO +ATOM 5349 HZ2 TRP 376 -2.936 -7.815 -3.147 1.00 0.00 PRO +ATOM 5350 CH2 TRP 376 -4.878 -7.335 -2.351 1.00 0.00 PRO +ATOM 5351 HH2 TRP 376 -4.719 -6.269 -2.398 1.00 0.00 PRO +ATOM 5352 C TRP 376 -8.324 -11.264 -3.689 1.00 0.00 PRO +ATOM 5353 O TRP 376 -9.291 -11.095 -2.949 1.00 0.00 PRO +ATOM 5354 N LEU 377 -7.987 -10.384 -4.656 1.00 0.00 PRO +ATOM 5355 HN LEU 377 -7.220 -10.572 -5.270 1.00 0.00 PRO +ATOM 5356 CA LEU 377 -8.672 -9.133 -4.894 1.00 0.00 PRO +ATOM 5357 HA LEU 377 -9.153 -8.802 -3.983 1.00 0.00 PRO +ATOM 5358 CB LEU 377 -7.656 -8.056 -5.374 1.00 0.00 PRO +ATOM 5359 HB1 LEU 377 -7.131 -8.431 -6.280 1.00 0.00 PRO +ATOM 5360 HB2 LEU 377 -6.886 -7.929 -4.583 1.00 0.00 PRO +ATOM 5361 CG LEU 377 -8.237 -6.661 -5.719 1.00 0.00 PRO +ATOM 5362 HG LEU 377 -8.946 -6.772 -6.574 1.00 0.00 PRO +ATOM 5363 CD1 LEU 377 -9.007 -6.039 -4.543 1.00 0.00 PRO +ATOM 5364 HD11 LEU 377 -8.338 -5.920 -3.663 1.00 0.00 PRO +ATOM 5365 HD12 LEU 377 -9.868 -6.673 -4.248 1.00 0.00 PRO +ATOM 5366 HD13 LEU 377 -9.394 -5.035 -4.820 1.00 0.00 PRO +ATOM 5367 CD2 LEU 377 -7.122 -5.708 -6.184 1.00 0.00 PRO +ATOM 5368 HD21 LEU 377 -6.584 -6.130 -7.059 1.00 0.00 PRO +ATOM 5369 HD22 LEU 377 -6.391 -5.543 -5.364 1.00 0.00 PRO +ATOM 5370 HD23 LEU 377 -7.550 -4.726 -6.473 1.00 0.00 PRO +ATOM 5371 C LEU 377 -9.735 -9.308 -5.962 1.00 0.00 PRO +ATOM 5372 O LEU 377 -10.882 -8.888 -5.791 1.00 0.00 PRO +ATOM 5373 N ASP 378 -9.372 -9.921 -7.108 1.00 0.00 PRO +ATOM 5374 HN ASP 378 -8.448 -10.287 -7.234 1.00 0.00 PRO +ATOM 5375 CA ASP 378 -10.150 -9.794 -8.331 1.00 0.00 PRO +ATOM 5376 HA ASP 378 -11.057 -9.250 -8.118 1.00 0.00 PRO +ATOM 5377 CB ASP 378 -9.314 -8.946 -9.336 1.00 0.00 PRO +ATOM 5378 HB1 ASP 378 -8.999 -8.017 -8.817 1.00 0.00 PRO +ATOM 5379 HB2 ASP 378 -9.957 -8.662 -10.193 1.00 0.00 PRO +ATOM 5380 CG ASP 378 -8.049 -9.579 -9.918 1.00 0.00 PRO +ATOM 5381 OD1 ASP 378 -7.880 -10.841 -9.772 1.00 0.00 PRO +ATOM 5382 OD2 ASP 378 -7.297 -8.854 -10.584 1.00 0.00 PRO +ATOM 5383 C ASP 378 -10.613 -11.123 -8.900 1.00 0.00 PRO +ATOM 5384 O ASP 378 -11.245 -11.160 -9.992 1.00 0.00 PRO +ATOM 5385 N SER 379 -10.409 -12.247 -8.225 1.00 0.00 PRO +ATOM 5386 HN SER 379 -9.953 -12.221 -7.326 1.00 0.00 PRO +ATOM 5387 CA SER 379 -10.651 -13.553 -8.811 1.00 0.00 PRO +ATOM 5388 HA SER 379 -11.397 -13.469 -9.587 1.00 0.00 PRO +ATOM 5389 CB SER 379 -9.360 -14.163 -9.423 1.00 0.00 PRO +ATOM 5390 HB1 SER 379 -8.650 -14.442 -8.614 1.00 0.00 PRO +ATOM 5391 HB2 SER 379 -8.853 -13.378 -10.034 1.00 0.00 PRO +ATOM 5392 OG SER 379 -9.633 -15.304 -10.250 1.00 0.00 PRO +ATOM 5393 HG1 SER 379 -10.057 -14.956 -11.058 1.00 0.00 PRO +ATOM 5394 C SER 379 -11.249 -14.460 -7.743 1.00 0.00 PRO +ATOM 5395 O SER 379 -11.638 -14.076 -6.684 1.00 0.00 PRO +ATOM 5396 N THR 380 -11.368 -15.768 -8.111 1.00 0.00 PRO +ATOM 5397 HN THR 380 -10.986 -16.022 -8.989 1.00 0.00 PRO +ATOM 5398 CA THR 380 -11.717 -16.807 -7.155 1.00 0.00 PRO +ATOM 5399 HA THR 380 -12.365 -16.394 -6.396 1.00 0.00 PRO +ATOM 5400 CB THR 380 -12.418 -17.997 -7.790 1.00 0.00 PRO +ATOM 5401 HB THR 380 -11.716 -18.559 -8.447 1.00 0.00 PRO +ATOM 5402 OG1 THR 380 -13.492 -17.546 -8.609 1.00 0.00 PRO +ATOM 5403 HG1 THR 380 -13.182 -16.723 -9.002 1.00 0.00 PRO +ATOM 5404 CG2 THR 380 -12.986 -18.938 -6.716 1.00 0.00 PRO +ATOM 5405 HG21 THR 380 -13.652 -18.386 -6.019 1.00 0.00 PRO +ATOM 5406 HG22 THR 380 -12.170 -19.404 -6.123 1.00 0.00 PRO +ATOM 5407 HG23 THR 380 -13.573 -19.756 -7.184 1.00 0.00 PRO +ATOM 5408 C THR 380 -10.464 -17.276 -6.471 1.00 0.00 PRO +ATOM 5409 O THR 380 -9.496 -17.720 -7.149 1.00 0.00 PRO +ATOM 5410 N TYR 381 -10.391 -17.196 -5.152 1.00 0.00 PRO +ATOM 5411 HN TYR 381 -11.193 -16.883 -4.616 1.00 0.00 PRO +ATOM 5412 CA TYR 381 -9.207 -17.512 -4.394 1.00 0.00 PRO +ATOM 5413 HA TYR 381 -8.586 -18.174 -4.968 1.00 0.00 PRO +ATOM 5414 CB TYR 381 -8.389 -16.231 -4.088 1.00 0.00 PRO +ATOM 5415 HB1 TYR 381 -8.958 -15.535 -3.437 1.00 0.00 PRO +ATOM 5416 HB2 TYR 381 -8.198 -15.716 -5.052 1.00 0.00 PRO +ATOM 5417 CG TYR 381 -7.051 -16.534 -3.461 1.00 0.00 PRO +ATOM 5418 CD1 TYR 381 -5.985 -16.962 -4.270 1.00 0.00 PRO +ATOM 5419 HD1 TYR 381 -6.144 -17.089 -5.331 1.00 0.00 PRO +ATOM 5420 CE1 TYR 381 -4.717 -17.198 -3.722 1.00 0.00 PRO +ATOM 5421 HE1 TYR 381 -3.904 -17.493 -4.371 1.00 0.00 PRO +ATOM 5422 CZ TYR 381 -4.513 -17.043 -2.346 1.00 0.00 PRO +ATOM 5423 OH TYR 381 -3.242 -17.311 -1.796 1.00 0.00 PRO +ATOM 5424 HH TYR 381 -2.637 -17.450 -2.531 1.00 0.00 PRO +ATOM 5425 CD2 TYR 381 -6.831 -16.362 -2.085 1.00 0.00 PRO +ATOM 5426 HD2 TYR 381 -7.634 -16.017 -1.447 1.00 0.00 PRO +ATOM 5427 CE2 TYR 381 -5.574 -16.640 -1.528 1.00 0.00 PRO +ATOM 5428 HE2 TYR 381 -5.427 -16.526 -0.466 1.00 0.00 PRO +ATOM 5429 C TYR 381 -9.655 -18.164 -3.074 1.00 0.00 PRO +ATOM 5430 O TYR 381 -10.542 -17.678 -2.435 1.00 0.00 PRO +ATOM 5431 N PRO 382 -9.005 -19.264 -2.646 1.00 0.00 PRO +ATOM 5432 CD PRO 382 -9.223 -19.685 -1.263 1.00 0.00 PRO +ATOM 5433 HD1 PRO 382 -10.252 -20.091 -1.185 1.00 0.00 PRO +ATOM 5434 HD2 PRO 382 -9.080 -18.842 -0.552 1.00 0.00 PRO +ATOM 5435 CA PRO 382 -8.247 -20.249 -3.398 1.00 0.00 PRO +ATOM 5436 HA PRO 382 -7.303 -19.776 -3.636 1.00 0.00 PRO +ATOM 5437 CB PRO 382 -8.081 -21.432 -2.432 1.00 0.00 PRO +ATOM 5438 HB1 PRO 382 -7.131 -21.975 -2.595 1.00 0.00 PRO +ATOM 5439 HB2 PRO 382 -8.921 -22.153 -2.548 1.00 0.00 PRO +ATOM 5440 CG PRO 382 -8.185 -20.787 -1.047 1.00 0.00 PRO +ATOM 5441 HG1 PRO 382 -8.500 -21.503 -0.259 1.00 0.00 PRO +ATOM 5442 HG2 PRO 382 -7.219 -20.315 -0.760 1.00 0.00 PRO +ATOM 5443 C PRO 382 -8.813 -20.680 -4.742 1.00 0.00 PRO +ATOM 5444 O PRO 382 -10.030 -20.635 -4.953 1.00 0.00 PRO +ATOM 5445 N THR 383 -7.960 -21.084 -5.682 1.00 0.00 PRO +ATOM 5446 HN THR 383 -6.980 -21.203 -5.508 1.00 0.00 PRO +ATOM 5447 CA THR 383 -8.322 -21.337 -7.071 1.00 0.00 PRO +ATOM 5448 HA THR 383 -8.989 -20.550 -7.396 1.00 0.00 PRO +ATOM 5449 CB THR 383 -7.096 -21.344 -7.972 1.00 0.00 PRO +ATOM 5450 HB THR 383 -7.351 -21.672 -9.008 1.00 0.00 PRO +ATOM 5451 OG1 THR 383 -6.078 -22.168 -7.412 1.00 0.00 PRO +ATOM 5452 HG1 THR 383 -5.396 -22.311 -8.080 1.00 0.00 PRO +ATOM 5453 CG2 THR 383 -6.537 -19.915 -8.015 1.00 0.00 PRO +ATOM 5454 HG21 THR 383 -6.195 -19.589 -7.010 1.00 0.00 PRO +ATOM 5455 HG22 THR 383 -7.314 -19.197 -8.355 1.00 0.00 PRO +ATOM 5456 HG23 THR 383 -5.669 -19.845 -8.703 1.00 0.00 PRO +ATOM 5457 C THR 383 -9.071 -22.638 -7.257 1.00 0.00 PRO +ATOM 5458 O THR 383 -9.711 -22.856 -8.290 1.00 0.00 PRO +ATOM 5459 N ASN 384 -9.041 -23.522 -6.245 1.00 0.00 PRO +ATOM 5460 HN ASN 384 -8.493 -23.332 -5.429 1.00 0.00 PRO +ATOM 5461 CA ASN 384 -9.754 -24.782 -6.243 1.00 0.00 PRO +ATOM 5462 HA ASN 384 -9.928 -25.094 -7.263 1.00 0.00 PRO +ATOM 5463 CB ASN 384 -8.922 -25.884 -5.521 1.00 0.00 PRO +ATOM 5464 HB1 ASN 384 -7.942 -25.970 -6.036 1.00 0.00 PRO +ATOM 5465 HB2 ASN 384 -9.439 -26.863 -5.608 1.00 0.00 PRO +ATOM 5466 CG ASN 384 -8.653 -25.577 -4.052 1.00 0.00 PRO +ATOM 5467 OD1 ASN 384 -7.933 -24.577 -3.742 1.00 0.00 PRO +ATOM 5468 ND2 ASN 384 -9.160 -26.374 -3.128 1.00 0.00 PRO +ATOM 5469 HD21 ASN 384 -9.036 -26.132 -2.156 1.00 0.00 PRO +ATOM 5470 HD22 ASN 384 -9.747 -27.145 -3.389 1.00 0.00 PRO +ATOM 5471 C ASN 384 -11.114 -24.630 -5.589 1.00 0.00 PRO +ATOM 5472 O ASN 384 -11.891 -25.596 -5.581 1.00 0.00 PRO +ATOM 5473 N GLU 385 -11.474 -23.440 -5.084 1.00 0.00 PRO +ATOM 5474 HN GLU 385 -10.869 -22.641 -5.142 1.00 0.00 PRO +ATOM 5475 CA GLU 385 -12.780 -23.184 -4.531 1.00 0.00 PRO +ATOM 5476 HA GLU 385 -13.124 -24.094 -4.046 1.00 0.00 PRO +ATOM 5477 CB GLU 385 -12.797 -22.068 -3.451 1.00 0.00 PRO +ATOM 5478 HB1 GLU 385 -13.843 -21.838 -3.145 1.00 0.00 PRO +ATOM 5479 HB2 GLU 385 -12.368 -21.142 -3.892 1.00 0.00 PRO +ATOM 5480 CG GLU 385 -12.021 -22.436 -2.159 1.00 0.00 PRO +ATOM 5481 HG1 GLU 385 -11.950 -21.535 -1.516 1.00 0.00 PRO +ATOM 5482 HG2 GLU 385 -10.997 -22.769 -2.413 1.00 0.00 PRO +ATOM 5483 CD GLU 385 -12.681 -23.515 -1.297 1.00 0.00 PRO +ATOM 5484 OE1 GLU 385 -13.830 -23.945 -1.659 1.00 0.00 PRO +ATOM 5485 OE2 GLU 385 -12.100 -23.874 -0.252 1.00 0.00 PRO +ATOM 5486 C GLU 385 -13.805 -22.885 -5.593 1.00 0.00 PRO +ATOM 5487 O GLU 385 -13.487 -22.545 -6.766 1.00 0.00 PRO +ATOM 5488 N THR 386 -15.070 -23.021 -5.251 1.00 0.00 PRO +ATOM 5489 HN THR 386 -15.255 -23.243 -4.287 1.00 0.00 PRO +ATOM 5490 CA THR 386 -16.203 -22.856 -6.152 1.00 0.00 PRO +ATOM 5491 HA THR 386 -15.840 -22.741 -7.162 1.00 0.00 PRO +ATOM 5492 CB THR 386 -17.181 -24.027 -6.116 1.00 0.00 PRO +ATOM 5493 HB THR 386 -17.943 -23.912 -6.925 1.00 0.00 PRO +ATOM 5494 OG1 THR 386 -17.870 -24.142 -4.868 1.00 0.00 PRO +ATOM 5495 HG1 THR 386 -17.182 -24.056 -4.187 1.00 0.00 PRO +ATOM 5496 CG2 THR 386 -16.419 -25.330 -6.401 1.00 0.00 PRO +ATOM 5497 HG21 THR 386 -15.690 -25.565 -5.598 1.00 0.00 PRO +ATOM 5498 HG22 THR 386 -15.858 -25.241 -7.356 1.00 0.00 PRO +ATOM 5499 HG23 THR 386 -17.122 -26.186 -6.492 1.00 0.00 PRO +ATOM 5500 C THR 386 -16.924 -21.574 -5.761 1.00 0.00 PRO +ATOM 5501 O THR 386 -16.661 -20.942 -4.797 1.00 0.00 PRO +ATOM 5502 N SER 387 -17.958 -21.214 -6.586 1.00 0.00 PRO +ATOM 5503 HN SER 387 -18.165 -21.685 -7.421 1.00 0.00 PRO +ATOM 5504 CA SER 387 -18.789 -20.068 -6.272 1.00 0.00 PRO +ATOM 5505 HA SER 387 -18.174 -19.269 -5.882 1.00 0.00 PRO +ATOM 5506 CB SER 387 -19.522 -19.567 -7.545 1.00 0.00 PRO +ATOM 5507 HB1 SER 387 -18.734 -19.253 -8.269 1.00 0.00 PRO +ATOM 5508 HB2 SER 387 -20.139 -18.668 -7.323 1.00 0.00 PRO +ATOM 5509 OG SER 387 -20.307 -20.597 -8.163 1.00 0.00 PRO +ATOM 5510 HG1 SER 387 -20.889 -20.989 -7.499 1.00 0.00 PRO +ATOM 5511 C SER 387 -19.855 -20.353 -5.219 1.00 0.00 PRO +ATOM 5512 O SER 387 -20.571 -19.482 -4.795 1.00 0.00 PRO +ATOM 5513 N SER 388 -19.982 -21.648 -4.806 1.00 0.00 PRO +ATOM 5514 HN SER 388 -19.395 -22.355 -5.172 1.00 0.00 PRO +ATOM 5515 CA SER 388 -20.873 -22.012 -3.715 1.00 0.00 PRO +ATOM 5516 HA SER 388 -21.723 -21.352 -3.730 1.00 0.00 PRO +ATOM 5517 CB SER 388 -21.441 -23.460 -3.836 1.00 0.00 PRO +ATOM 5518 HB1 SER 388 -21.910 -23.572 -4.838 1.00 0.00 PRO +ATOM 5519 HB2 SER 388 -22.243 -23.584 -3.072 1.00 0.00 PRO +ATOM 5520 OG SER 388 -20.477 -24.503 -3.642 1.00 0.00 PRO +ATOM 5521 HG1 SER 388 -19.738 -24.393 -4.259 1.00 0.00 PRO +ATOM 5522 C SER 388 -20.212 -21.831 -2.351 1.00 0.00 PRO +ATOM 5523 O SER 388 -20.859 -21.768 -1.337 1.00 0.00 PRO +ATOM 5524 N THR 389 -18.856 -21.705 -2.357 1.00 0.00 PRO +ATOM 5525 HN THR 389 -18.341 -21.729 -3.198 1.00 0.00 PRO +ATOM 5526 CA THR 389 -18.059 -21.500 -1.156 1.00 0.00 PRO +ATOM 5527 HA THR 389 -18.447 -22.155 -0.396 1.00 0.00 PRO +ATOM 5528 CB THR 389 -16.586 -21.874 -1.356 1.00 0.00 PRO +ATOM 5529 HB THR 389 -16.118 -21.189 -2.095 1.00 0.00 PRO +ATOM 5530 OG1 THR 389 -16.431 -23.205 -1.869 1.00 0.00 PRO +ATOM 5531 HG1 THR 389 -15.489 -23.437 -1.719 1.00 0.00 PRO +ATOM 5532 CG2 THR 389 -15.841 -21.808 -0.015 1.00 0.00 PRO +ATOM 5533 HG21 THR 389 -16.334 -22.447 0.746 1.00 0.00 PRO +ATOM 5534 HG22 THR 389 -15.797 -20.767 0.371 1.00 0.00 PRO +ATOM 5535 HG23 THR 389 -14.794 -22.158 -0.130 1.00 0.00 PRO +ATOM 5536 C THR 389 -18.148 -20.035 -0.713 1.00 0.00 PRO +ATOM 5537 O THR 389 -17.818 -19.156 -1.526 1.00 0.00 PRO +ATOM 5538 N PRO 390 -18.590 -19.665 0.498 1.00 0.00 PRO +ATOM 5539 CD PRO 390 -19.120 -20.587 1.509 1.00 0.00 PRO +ATOM 5540 HD1 PRO 390 -18.262 -21.030 2.063 1.00 0.00 PRO +ATOM 5541 HD2 PRO 390 -19.753 -21.384 1.060 1.00 0.00 PRO +ATOM 5542 CA PRO 390 -18.727 -18.273 0.930 1.00 0.00 PRO +ATOM 5543 HA PRO 390 -19.475 -17.817 0.297 1.00 0.00 PRO +ATOM 5544 CB PRO 390 -19.203 -18.372 2.389 1.00 0.00 PRO +ATOM 5545 HB1 PRO 390 -19.823 -17.504 2.687 1.00 0.00 PRO +ATOM 5546 HB2 PRO 390 -18.331 -18.442 3.083 1.00 0.00 PRO +ATOM 5547 CG PRO 390 -19.957 -19.700 2.431 1.00 0.00 PRO +ATOM 5548 HG1 PRO 390 -20.036 -20.112 3.456 1.00 0.00 PRO +ATOM 5549 HG2 PRO 390 -20.969 -19.579 1.985 1.00 0.00 PRO +ATOM 5550 C PRO 390 -17.477 -17.419 0.807 1.00 0.00 PRO +ATOM 5551 O PRO 390 -16.452 -17.744 1.402 1.00 0.00 PRO +ATOM 5552 N GLY 391 -17.533 -16.308 0.045 1.00 0.00 PRO +ATOM 5553 HN GLY 391 -18.371 -16.092 -0.449 1.00 0.00 PRO +ATOM 5554 CA GLY 391 -16.449 -15.332 -0.033 1.00 0.00 PRO +ATOM 5555 HA1 GLY 391 -16.116 -15.110 0.973 1.00 0.00 PRO +ATOM 5556 HA2 GLY 391 -16.831 -14.455 -0.534 1.00 0.00 PRO +ATOM 5557 C GLY 391 -15.235 -15.792 -0.802 1.00 0.00 PRO +ATOM 5558 O GLY 391 -14.204 -15.123 -0.800 1.00 0.00 PRO +ATOM 5559 N ALA 392 -15.325 -16.954 -1.488 1.00 0.00 PRO +ATOM 5560 HN ALA 392 -16.144 -17.518 -1.391 1.00 0.00 PRO +ATOM 5561 CA ALA 392 -14.280 -17.471 -2.356 1.00 0.00 PRO +ATOM 5562 HA ALA 392 -13.355 -17.477 -1.799 1.00 0.00 PRO +ATOM 5563 CB ALA 392 -14.604 -18.907 -2.802 1.00 0.00 PRO +ATOM 5564 HB1 ALA 392 -15.564 -18.959 -3.359 1.00 0.00 PRO +ATOM 5565 HB2 ALA 392 -14.676 -19.565 -1.911 1.00 0.00 PRO +ATOM 5566 HB3 ALA 392 -13.795 -19.304 -3.455 1.00 0.00 PRO +ATOM 5567 C ALA 392 -14.063 -16.618 -3.581 1.00 0.00 PRO +ATOM 5568 O ALA 392 -12.923 -16.411 -4.031 1.00 0.00 PRO +ATOM 5569 N VAL 393 -15.144 -16.094 -4.159 1.00 0.00 PRO +ATOM 5570 HN VAL 393 -16.037 -16.248 -3.742 1.00 0.00 PRO +ATOM 5571 CA VAL 393 -15.112 -15.284 -5.358 1.00 0.00 PRO +ATOM 5572 HA VAL 393 -14.234 -15.520 -5.932 1.00 0.00 PRO +ATOM 5573 CB VAL 393 -16.341 -15.513 -6.235 1.00 0.00 PRO +ATOM 5574 HB VAL 393 -17.260 -15.175 -5.708 1.00 0.00 PRO +ATOM 5575 CG1 VAL 393 -16.184 -14.738 -7.558 1.00 0.00 PRO +ATOM 5576 HG11 VAL 393 -15.265 -15.067 -8.089 1.00 0.00 PRO +ATOM 5577 HG12 VAL 393 -16.114 -13.644 -7.387 1.00 0.00 PRO +ATOM 5578 HG13 VAL 393 -17.054 -14.931 -8.219 1.00 0.00 PRO +ATOM 5579 CG2 VAL 393 -16.505 -17.020 -6.513 1.00 0.00 PRO +ATOM 5580 HG21 VAL 393 -16.714 -17.584 -5.581 1.00 0.00 PRO +ATOM 5581 HG22 VAL 393 -15.584 -17.431 -6.977 1.00 0.00 PRO +ATOM 5582 HG23 VAL 393 -17.351 -17.187 -7.214 1.00 0.00 PRO +ATOM 5583 C VAL 393 -15.060 -13.819 -4.938 1.00 0.00 PRO +ATOM 5584 O VAL 393 -15.914 -13.340 -4.249 1.00 0.00 PRO +ATOM 5585 N ARG 394 -13.992 -13.097 -5.397 1.00 0.00 PRO +ATOM 5586 HN ARG 394 -13.256 -13.514 -5.918 1.00 0.00 PRO +ATOM 5587 CA ARG 394 -13.813 -11.701 -5.053 1.00 0.00 PRO +ATOM 5588 HA ARG 394 -14.607 -11.348 -4.409 1.00 0.00 PRO +ATOM 5589 CB ARG 394 -12.452 -11.496 -4.331 1.00 0.00 PRO +ATOM 5590 HB1 ARG 394 -12.392 -10.433 -4.005 1.00 0.00 PRO +ATOM 5591 HB2 ARG 394 -11.611 -11.661 -5.042 1.00 0.00 PRO +ATOM 5592 CG ARG 394 -12.231 -12.391 -3.088 1.00 0.00 PRO +ATOM 5593 HG1 ARG 394 -13.212 -12.705 -2.673 1.00 0.00 PRO +ATOM 5594 HG2 ARG 394 -11.725 -11.773 -2.311 1.00 0.00 PRO +ATOM 5595 CD ARG 394 -11.348 -13.621 -3.356 1.00 0.00 PRO +ATOM 5596 HD1 ARG 394 -10.335 -13.332 -3.702 1.00 0.00 PRO +ATOM 5597 HD2 ARG 394 -11.807 -14.226 -4.178 1.00 0.00 PRO +ATOM 5598 NE ARG 394 -11.289 -14.492 -2.158 1.00 0.00 PRO +ATOM 5599 HE ARG 394 -11.767 -15.338 -2.142 1.00 0.00 PRO +ATOM 5600 CZ ARG 394 -10.466 -14.251 -1.059 1.00 0.00 PRO +ATOM 5601 NH1 ARG 394 -9.753 -13.216 -0.940 1.00 0.00 PRO +ATOM 5602 HH11 ARG 394 -9.844 -12.417 -1.546 1.00 0.00 PRO +ATOM 5603 HH12 ARG 394 -9.318 -13.006 -0.028 1.00 0.00 PRO +ATOM 5604 NH2 ARG 394 -10.445 -15.197 -0.149 1.00 0.00 PRO +ATOM 5605 HH21 ARG 394 -10.876 -16.058 -0.288 1.00 0.00 PRO +ATOM 5606 HH22 ARG 394 -9.774 -15.065 0.613 1.00 0.00 PRO +ATOM 5607 C ARG 394 -13.848 -10.811 -6.302 1.00 0.00 PRO +ATOM 5608 O ARG 394 -13.781 -9.613 -6.250 1.00 0.00 PRO +ATOM 5609 N GLY 395 -14.014 -11.442 -7.494 1.00 0.00 PRO +ATOM 5610 HN GLY 395 -14.071 -12.424 -7.564 1.00 0.00 PRO +ATOM 5611 CA GLY 395 -14.111 -10.675 -8.720 1.00 0.00 PRO +ATOM 5612 HA1 GLY 395 -13.176 -10.162 -8.888 1.00 0.00 PRO +ATOM 5613 HA2 GLY 395 -14.946 -9.994 -8.648 1.00 0.00 PRO +ATOM 5614 C GLY 395 -14.370 -11.562 -9.888 1.00 0.00 PRO +ATOM 5615 O GLY 395 -14.707 -12.762 -9.731 1.00 0.00 PRO +ATOM 5616 N SER 396 -14.261 -11.032 -11.100 1.00 0.00 PRO +ATOM 5617 HN SER 396 -13.974 -10.072 -11.196 1.00 0.00 PRO +ATOM 5618 CA SER 396 -14.614 -11.733 -12.327 1.00 0.00 PRO +ATOM 5619 HA SER 396 -15.155 -12.637 -12.080 1.00 0.00 PRO +ATOM 5620 CB SER 396 -15.530 -10.866 -13.235 1.00 0.00 PRO +ATOM 5621 HB1 SER 396 -16.429 -10.596 -12.635 1.00 0.00 PRO +ATOM 5622 HB2 SER 396 -15.872 -11.451 -14.118 1.00 0.00 PRO +ATOM 5623 OG SER 396 -14.919 -9.646 -13.671 1.00 0.00 PRO +ATOM 5624 HG1 SER 396 -14.121 -9.887 -14.162 1.00 0.00 PRO +ATOM 5625 C SER 396 -13.404 -12.154 -13.123 1.00 0.00 PRO +ATOM 5626 O SER 396 -13.556 -12.766 -14.203 1.00 0.00 PRO +ATOM 5627 N CYS 397 -12.178 -11.863 -12.679 1.00 0.00 PRO +ATOM 5628 HN CYS 397 -12.040 -11.396 -11.790 1.00 0.00 PRO +ATOM 5629 CA CYS 397 -10.957 -12.295 -13.328 1.00 0.00 PRO +ATOM 5630 HA CYS 397 -11.045 -12.010 -14.369 1.00 0.00 PRO +ATOM 5631 CB CYS 397 -9.682 -11.628 -12.767 1.00 0.00 PRO +ATOM 5632 HB1 CYS 397 -8.779 -12.006 -13.288 1.00 0.00 PRO +ATOM 5633 HB2 CYS 397 -9.558 -11.889 -11.693 1.00 0.00 PRO +ATOM 5634 SG CYS 397 -9.724 -9.822 -12.938 1.00 0.00 PRO +ATOM 5635 C CYS 397 -10.758 -13.800 -13.309 1.00 0.00 PRO +ATOM 5636 O CYS 397 -11.146 -14.509 -12.377 1.00 0.00 PRO +ATOM 5637 N SER 398 -10.119 -14.332 -14.360 1.00 0.00 PRO +ATOM 5638 HN SER 398 -9.791 -13.723 -15.071 1.00 0.00 PRO +ATOM 5639 CA SER 398 -9.748 -15.741 -14.453 1.00 0.00 PRO +ATOM 5640 HA SER 398 -10.645 -16.326 -14.326 1.00 0.00 PRO +ATOM 5641 CB SER 398 -9.082 -16.076 -15.820 1.00 0.00 PRO +ATOM 5642 HB1 SER 398 -8.107 -15.542 -15.891 1.00 0.00 PRO +ATOM 5643 HB2 SER 398 -9.757 -15.675 -16.605 1.00 0.00 PRO +ATOM 5644 OG SER 398 -8.902 -17.488 -16.025 1.00 0.00 PRO +ATOM 5645 HG1 SER 398 -8.103 -17.649 -16.550 1.00 0.00 PRO +ATOM 5646 C SER 398 -8.748 -16.129 -13.372 1.00 0.00 PRO +ATOM 5647 O SER 398 -7.880 -15.378 -13.011 1.00 0.00 PRO +ATOM 5648 N THR 399 -8.832 -17.404 -12.908 1.00 0.00 PRO +ATOM 5649 HN THR 399 -9.548 -18.018 -13.212 1.00 0.00 PRO +ATOM 5650 CA THR 399 -7.912 -17.955 -11.916 1.00 0.00 PRO +ATOM 5651 HA THR 399 -7.830 -17.253 -11.097 1.00 0.00 PRO +ATOM 5652 CB THR 399 -8.389 -19.294 -11.365 1.00 0.00 PRO +ATOM 5653 HB THR 399 -7.596 -19.789 -10.754 1.00 0.00 PRO +ATOM 5654 OG1 THR 399 -8.817 -20.171 -12.406 1.00 0.00 PRO +ATOM 5655 HG1 THR 399 -9.095 -20.969 -11.945 1.00 0.00 PRO +ATOM 5656 CG2 THR 399 -9.591 -19.025 -10.450 1.00 0.00 PRO +ATOM 5657 HG21 THR 399 -10.422 -18.548 -11.010 1.00 0.00 PRO +ATOM 5658 HG22 THR 399 -9.289 -18.330 -9.635 1.00 0.00 PRO +ATOM 5659 HG23 THR 399 -9.958 -19.963 -9.985 1.00 0.00 PRO +ATOM 5660 C THR 399 -6.504 -18.171 -12.443 1.00 0.00 PRO +ATOM 5661 O THR 399 -5.583 -18.489 -11.716 1.00 0.00 PRO +ATOM 5662 N SER 400 -6.348 -18.006 -13.775 1.00 0.00 PRO +ATOM 5663 HN SER 400 -7.152 -17.795 -14.314 1.00 0.00 PRO +ATOM 5664 CA SER 400 -5.085 -18.122 -14.476 1.00 0.00 PRO +ATOM 5665 HA SER 400 -4.374 -18.661 -13.865 1.00 0.00 PRO +ATOM 5666 CB SER 400 -5.312 -18.856 -15.834 1.00 0.00 PRO +ATOM 5667 HB1 SER 400 -5.846 -19.809 -15.621 1.00 0.00 PRO +ATOM 5668 HB2 SER 400 -4.319 -19.121 -16.265 1.00 0.00 PRO +ATOM 5669 OG SER 400 -6.067 -18.080 -16.784 1.00 0.00 PRO +ATOM 5670 HG1 SER 400 -5.411 -17.448 -17.111 1.00 0.00 PRO +ATOM 5671 C SER 400 -4.499 -16.758 -14.788 1.00 0.00 PRO +ATOM 5672 O SER 400 -3.550 -16.651 -15.568 1.00 0.00 PRO +ATOM 5673 N SER 401 -5.094 -15.668 -14.279 1.00 0.00 PRO +ATOM 5674 HN SER 401 -5.825 -15.764 -13.602 1.00 0.00 PRO +ATOM 5675 CA SER 401 -4.641 -14.313 -14.564 1.00 0.00 PRO +ATOM 5676 HA SER 401 -4.140 -14.314 -15.521 1.00 0.00 PRO +ATOM 5677 CB SER 401 -5.802 -13.281 -14.665 1.00 0.00 PRO +ATOM 5678 HB1 SER 401 -6.552 -13.648 -15.395 1.00 0.00 PRO +ATOM 5679 HB2 SER 401 -5.411 -12.310 -15.042 1.00 0.00 PRO +ATOM 5680 OG SER 401 -6.462 -13.019 -13.430 1.00 0.00 PRO +ATOM 5681 HG1 SER 401 -6.789 -13.845 -13.030 1.00 0.00 PRO +ATOM 5682 C SER 401 -3.612 -13.841 -13.554 1.00 0.00 PRO +ATOM 5683 O SER 401 -3.380 -14.462 -12.533 1.00 0.00 PRO +ATOM 5684 N GLY 402 -2.940 -12.709 -13.875 1.00 0.00 PRO +ATOM 5685 HN GLY 402 -3.085 -12.260 -14.746 1.00 0.00 PRO +ATOM 5686 CA GLY 402 -2.129 -11.983 -12.907 1.00 0.00 PRO +ATOM 5687 HA1 GLY 402 -2.641 -11.963 -11.953 1.00 0.00 PRO +ATOM 5688 HA2 GLY 402 -1.972 -10.996 -13.307 1.00 0.00 PRO +ATOM 5689 C GLY 402 -0.760 -12.544 -12.668 1.00 0.00 PRO +ATOM 5690 O GLY 402 -0.115 -12.249 -11.684 1.00 0.00 PRO +ATOM 5691 N VAL 403 -0.271 -13.375 -13.613 1.00 0.00 PRO +ATOM 5692 HN VAL 403 -0.846 -13.653 -14.365 1.00 0.00 PRO +ATOM 5693 CA VAL 403 1.100 -13.851 -13.611 1.00 0.00 PRO +ATOM 5694 HA VAL 403 1.306 -14.239 -12.625 1.00 0.00 PRO +ATOM 5695 CB VAL 403 1.292 -14.997 -14.604 1.00 0.00 PRO +ATOM 5696 HB VAL 403 0.956 -14.671 -15.617 1.00 0.00 PRO +ATOM 5697 CG1 VAL 403 2.775 -15.424 -14.690 1.00 0.00 PRO +ATOM 5698 HG11 VAL 403 3.163 -15.686 -13.682 1.00 0.00 PRO +ATOM 5699 HG12 VAL 403 3.409 -14.619 -15.117 1.00 0.00 PRO +ATOM 5700 HG13 VAL 403 2.873 -16.314 -15.347 1.00 0.00 PRO +ATOM 5701 CG2 VAL 403 0.413 -16.188 -14.167 1.00 0.00 PRO +ATOM 5702 HG21 VAL 403 -0.665 -15.919 -14.173 1.00 0.00 PRO +ATOM 5703 HG22 VAL 403 0.683 -16.512 -13.140 1.00 0.00 PRO +ATOM 5704 HG23 VAL 403 0.558 -17.041 -14.864 1.00 0.00 PRO +ATOM 5705 C VAL 403 2.047 -12.703 -13.946 1.00 0.00 PRO +ATOM 5706 O VAL 403 1.925 -12.199 -15.088 1.00 0.00 PRO +ATOM 5707 N PRO 404 2.961 -12.234 -13.090 1.00 0.00 PRO +ATOM 5708 CD PRO 404 3.185 -12.796 -11.747 1.00 0.00 PRO +ATOM 5709 HD1 PRO 404 3.735 -13.758 -11.834 1.00 0.00 PRO +ATOM 5710 HD2 PRO 404 2.229 -12.938 -11.200 1.00 0.00 PRO +ATOM 5711 CA PRO 404 3.768 -11.026 -13.278 1.00 0.00 PRO +ATOM 5712 HA PRO 404 3.112 -10.178 -13.135 1.00 0.00 PRO +ATOM 5713 CB PRO 404 4.800 -11.076 -12.156 1.00 0.00 PRO +ATOM 5714 HB1 PRO 404 5.128 -10.050 -11.876 1.00 0.00 PRO +ATOM 5715 HB2 PRO 404 5.690 -11.687 -12.422 1.00 0.00 PRO +ATOM 5716 CG PRO 404 4.034 -11.755 -11.024 1.00 0.00 PRO +ATOM 5717 HG1 PRO 404 4.699 -12.196 -10.259 1.00 0.00 PRO +ATOM 5718 HG2 PRO 404 3.367 -11.003 -10.540 1.00 0.00 PRO +ATOM 5719 C PRO 404 4.376 -10.828 -14.651 1.00 0.00 PRO +ATOM 5720 O PRO 404 4.104 -9.851 -15.335 1.00 0.00 PRO +ATOM 5721 N ALA 405 5.144 -11.834 -15.125 1.00 0.00 PRO +ATOM 5722 HN ALA 405 5.329 -12.610 -14.534 1.00 0.00 PRO +ATOM 5723 CA ALA 405 5.828 -11.756 -16.398 1.00 0.00 PRO +ATOM 5724 HA ALA 405 6.492 -10.905 -16.341 1.00 0.00 PRO +ATOM 5725 CB ALA 405 6.628 -13.057 -16.636 1.00 0.00 PRO +ATOM 5726 HB1 ALA 405 5.958 -13.943 -16.637 1.00 0.00 PRO +ATOM 5727 HB2 ALA 405 7.376 -13.187 -15.825 1.00 0.00 PRO +ATOM 5728 HB3 ALA 405 7.165 -13.022 -17.604 1.00 0.00 PRO +ATOM 5729 C ALA 405 4.891 -11.543 -17.574 1.00 0.00 PRO +ATOM 5730 O ALA 405 5.196 -10.785 -18.520 1.00 0.00 PRO +ATOM 5731 N GLN 406 3.734 -12.218 -17.562 1.00 0.00 PRO +ATOM 5732 HN GLN 406 3.503 -12.758 -16.750 1.00 0.00 PRO +ATOM 5733 CA GLN 406 2.689 -12.055 -18.542 1.00 0.00 PRO +ATOM 5734 HA GLN 406 3.154 -12.142 -19.513 1.00 0.00 PRO +ATOM 5735 CB GLN 406 1.633 -13.183 -18.421 1.00 0.00 PRO +ATOM 5736 HB1 GLN 406 1.154 -13.138 -17.417 1.00 0.00 PRO +ATOM 5737 HB2 GLN 406 2.175 -14.154 -18.483 1.00 0.00 PRO +ATOM 5738 CG GLN 406 0.540 -13.124 -19.517 1.00 0.00 PRO +ATOM 5739 HG1 GLN 406 1.035 -13.027 -20.507 1.00 0.00 PRO +ATOM 5740 HG2 GLN 406 -0.115 -12.244 -19.356 1.00 0.00 PRO +ATOM 5741 CD GLN 406 -0.334 -14.376 -19.513 1.00 0.00 PRO +ATOM 5742 OE1 GLN 406 -0.485 -15.086 -18.530 1.00 0.00 PRO +ATOM 5743 NE2 GLN 406 -0.954 -14.694 -20.691 1.00 0.00 PRO +ATOM 5744 HE21 GLN 406 -0.748 -14.123 -21.505 1.00 0.00 PRO +ATOM 5745 HE22 GLN 406 -1.431 -15.538 -20.724 1.00 0.00 PRO +ATOM 5746 C GLN 406 2.014 -10.691 -18.512 1.00 0.00 PRO +ATOM 5747 O GLN 406 1.835 -10.070 -19.567 1.00 0.00 PRO +ATOM 5748 N VAL 407 1.632 -10.171 -17.327 1.00 0.00 PRO +ATOM 5749 HN VAL 407 1.844 -10.635 -16.459 1.00 0.00 PRO +ATOM 5750 CA VAL 407 0.955 -8.880 -17.213 1.00 0.00 PRO +ATOM 5751 HA VAL 407 0.206 -8.861 -17.992 1.00 0.00 PRO +ATOM 5752 CB VAL 407 0.184 -8.666 -15.909 1.00 0.00 PRO +ATOM 5753 HB VAL 407 -0.308 -7.665 -15.941 1.00 0.00 PRO +ATOM 5754 CG1 VAL 407 -0.919 -9.741 -15.798 1.00 0.00 PRO +ATOM 5755 HG11 VAL 407 -0.465 -10.742 -15.633 1.00 0.00 PRO +ATOM 5756 HG12 VAL 407 -1.543 -9.781 -16.713 1.00 0.00 PRO +ATOM 5757 HG13 VAL 407 -1.574 -9.510 -14.931 1.00 0.00 PRO +ATOM 5758 CG2 VAL 407 1.089 -8.685 -14.667 1.00 0.00 PRO +ATOM 5759 HG21 VAL 407 1.901 -7.930 -14.722 1.00 0.00 PRO +ATOM 5760 HG22 VAL 407 1.551 -9.681 -14.529 1.00 0.00 PRO +ATOM 5761 HG23 VAL 407 0.500 -8.459 -13.751 1.00 0.00 PRO +ATOM 5762 C VAL 407 1.861 -7.710 -17.537 1.00 0.00 PRO +ATOM 5763 O VAL 407 1.461 -6.768 -18.233 1.00 0.00 PRO +ATOM 5764 N GLU 408 3.139 -7.764 -17.131 1.00 0.00 PRO +ATOM 5765 HN GLU 408 3.449 -8.499 -16.508 1.00 0.00 PRO +ATOM 5766 CA GLU 408 4.147 -6.787 -17.499 1.00 0.00 PRO +ATOM 5767 HA GLU 408 3.831 -5.813 -17.163 1.00 0.00 PRO +ATOM 5768 CB GLU 408 5.484 -7.160 -16.831 1.00 0.00 PRO +ATOM 5769 HB1 GLU 408 6.329 -6.599 -17.284 1.00 0.00 PRO +ATOM 5770 HB2 GLU 408 5.628 -8.248 -17.041 1.00 0.00 PRO +ATOM 5771 CG GLU 408 5.558 -6.934 -15.295 1.00 0.00 PRO +ATOM 5772 HG1 GLU 408 4.617 -7.244 -14.789 1.00 0.00 PRO +ATOM 5773 HG2 GLU 408 5.715 -5.860 -15.065 1.00 0.00 PRO +ATOM 5774 CD GLU 408 6.708 -7.746 -14.691 1.00 0.00 PRO +ATOM 5775 OE1 GLU 408 7.384 -8.444 -15.522 1.00 0.00 PRO +ATOM 5776 OE2 GLU 408 7.043 -7.658 -13.501 1.00 0.00 PRO +ATOM 5777 C GLU 408 4.379 -6.714 -18.999 1.00 0.00 PRO +ATOM 5778 O GLU 408 4.539 -5.643 -19.596 1.00 0.00 PRO +ATOM 5779 N SER 409 4.431 -7.877 -19.665 1.00 0.00 PRO +ATOM 5780 HN SER 409 4.318 -8.726 -19.138 1.00 0.00 PRO +ATOM 5781 CA SER 409 4.604 -7.978 -21.103 1.00 0.00 PRO +ATOM 5782 HA SER 409 5.401 -7.306 -21.384 1.00 0.00 PRO +ATOM 5783 CB SER 409 4.987 -9.424 -21.505 1.00 0.00 PRO +ATOM 5784 HB1 SER 409 4.143 -10.120 -21.291 1.00 0.00 PRO +ATOM 5785 HB2 SER 409 5.842 -9.740 -20.865 1.00 0.00 PRO +ATOM 5786 OG SER 409 5.388 -9.523 -22.873 1.00 0.00 PRO +ATOM 5787 HG1 SER 409 4.598 -9.381 -23.421 1.00 0.00 PRO +ATOM 5788 C SER 409 3.395 -7.542 -21.916 1.00 0.00 PRO +ATOM 5789 O SER 409 3.527 -6.960 -22.985 1.00 0.00 PRO +ATOM 5790 N GLN 410 2.176 -7.847 -21.433 1.00 0.00 PRO +ATOM 5791 HN GLN 410 2.082 -8.320 -20.555 1.00 0.00 PRO +ATOM 5792 CA GLN 410 0.960 -7.601 -22.188 1.00 0.00 PRO +ATOM 5793 HA GLN 410 1.181 -7.626 -23.246 1.00 0.00 PRO +ATOM 5794 CB GLN 410 -0.084 -8.702 -21.880 1.00 0.00 PRO +ATOM 5795 HB1 GLN 410 -1.080 -8.390 -22.272 1.00 0.00 PRO +ATOM 5796 HB2 GLN 410 -0.159 -8.789 -20.771 1.00 0.00 PRO +ATOM 5797 CG GLN 410 0.268 -10.078 -22.512 1.00 0.00 PRO +ATOM 5798 HG1 GLN 410 1.241 -10.434 -22.114 1.00 0.00 PRO +ATOM 5799 HG2 GLN 410 0.351 -9.957 -23.612 1.00 0.00 PRO +ATOM 5800 CD GLN 410 -0.774 -11.145 -22.231 1.00 0.00 PRO +ATOM 5801 OE1 GLN 410 -0.775 -12.254 -22.845 1.00 0.00 PRO +ATOM 5802 NE2 GLN 410 -1.729 -10.919 -21.316 1.00 0.00 PRO +ATOM 5803 HE21 GLN 410 -2.297 -11.630 -20.986 1.00 0.00 PRO +ATOM 5804 HE22 GLN 410 -1.733 -9.984 -20.883 1.00 0.00 PRO +ATOM 5805 C GLN 410 0.332 -6.248 -21.929 1.00 0.00 PRO +ATOM 5806 O GLN 410 -0.429 -5.736 -22.765 1.00 0.00 PRO +ATOM 5807 N SER 411 0.664 -5.613 -20.797 1.00 0.00 PRO +ATOM 5808 HN SER 411 1.249 -6.049 -20.104 1.00 0.00 PRO +ATOM 5809 CA SER 411 0.110 -4.321 -20.440 1.00 0.00 PRO +ATOM 5810 HA SER 411 -0.179 -3.799 -21.337 1.00 0.00 PRO +ATOM 5811 CB SER 411 -1.159 -4.454 -19.546 1.00 0.00 PRO +ATOM 5812 HB1 SER 411 -1.532 -3.456 -19.229 1.00 0.00 PRO +ATOM 5813 HB2 SER 411 -0.902 -5.032 -18.626 1.00 0.00 PRO +ATOM 5814 OG SER 411 -2.214 -5.130 -20.246 1.00 0.00 PRO +ATOM 5815 HG1 SER 411 -2.518 -4.556 -20.957 1.00 0.00 PRO +ATOM 5816 C SER 411 1.136 -3.422 -19.769 1.00 0.00 PRO +ATOM 5817 O SER 411 0.891 -2.962 -18.657 1.00 0.00 PRO +ATOM 5818 N PRO 412 2.272 -3.067 -20.386 1.00 0.00 PRO +ATOM 5819 CD PRO 412 2.631 -3.415 -21.767 1.00 0.00 PRO +ATOM 5820 HD1 PRO 412 1.795 -3.214 -22.471 1.00 0.00 PRO +ATOM 5821 HD2 PRO 412 2.915 -4.491 -21.805 1.00 0.00 PRO +ATOM 5822 CA PRO 412 3.313 -2.268 -19.742 1.00 0.00 PRO +ATOM 5823 HA PRO 412 3.516 -2.659 -18.753 1.00 0.00 PRO +ATOM 5824 CB PRO 412 4.504 -2.374 -20.714 1.00 0.00 PRO +ATOM 5825 HB1 PRO 412 5.079 -3.291 -20.453 1.00 0.00 PRO +ATOM 5826 HB2 PRO 412 5.186 -1.500 -20.655 1.00 0.00 PRO +ATOM 5827 CG PRO 412 3.856 -2.556 -22.090 1.00 0.00 PRO +ATOM 5828 HG1 PRO 412 3.527 -1.573 -22.493 1.00 0.00 PRO +ATOM 5829 HG2 PRO 412 4.518 -3.055 -22.826 1.00 0.00 PRO +ATOM 5830 C PRO 412 2.893 -0.822 -19.577 1.00 0.00 PRO +ATOM 5831 O PRO 412 3.456 -0.116 -18.753 1.00 0.00 PRO +ATOM 5832 N ASN 413 1.926 -0.360 -20.394 1.00 0.00 PRO +ATOM 5833 HN ASN 413 1.513 -0.989 -21.040 1.00 0.00 PRO +ATOM 5834 CA ASN 413 1.483 1.019 -20.432 1.00 0.00 PRO +ATOM 5835 HA ASN 413 2.268 1.658 -20.044 1.00 0.00 PRO +ATOM 5836 CB ASN 413 1.120 1.438 -21.884 1.00 0.00 PRO +ATOM 5837 HB1 ASN 413 0.827 2.508 -21.920 1.00 0.00 PRO +ATOM 5838 HB2 ASN 413 0.271 0.832 -22.265 1.00 0.00 PRO +ATOM 5839 CG ASN 413 2.301 1.222 -22.825 1.00 0.00 PRO +ATOM 5840 OD1 ASN 413 2.240 0.421 -23.765 1.00 0.00 PRO +ATOM 5841 ND2 ASN 413 3.425 1.924 -22.581 1.00 0.00 PRO +ATOM 5842 HD21 ASN 413 4.217 1.756 -23.159 1.00 0.00 PRO +ATOM 5843 HD22 ASN 413 3.538 2.438 -21.723 1.00 0.00 PRO +ATOM 5844 C ASN 413 0.278 1.215 -19.524 1.00 0.00 PRO +ATOM 5845 O ASN 413 -0.385 2.250 -19.563 1.00 0.00 PRO +ATOM 5846 N ALA 414 -0.015 0.211 -18.672 1.00 0.00 PRO +ATOM 5847 HN ALA 414 0.539 -0.618 -18.675 1.00 0.00 PRO +ATOM 5848 CA ALA 414 -0.919 0.312 -17.551 1.00 0.00 PRO +ATOM 5849 HA ALA 414 -1.884 0.618 -17.926 1.00 0.00 PRO +ATOM 5850 CB ALA 414 -1.043 -1.054 -16.850 1.00 0.00 PRO +ATOM 5851 HB1 ALA 414 -0.049 -1.417 -16.512 1.00 0.00 PRO +ATOM 5852 HB2 ALA 414 -1.466 -1.807 -17.547 1.00 0.00 PRO +ATOM 5853 HB3 ALA 414 -1.713 -0.991 -15.967 1.00 0.00 PRO +ATOM 5854 C ALA 414 -0.453 1.358 -16.542 1.00 0.00 PRO +ATOM 5855 O ALA 414 0.731 1.591 -16.354 1.00 0.00 PRO +ATOM 5856 N LYS 415 -1.404 2.032 -15.872 1.00 0.00 PRO +ATOM 5857 HN LYS 415 -2.371 1.823 -15.958 1.00 0.00 PRO +ATOM 5858 CA LYS 415 -1.024 3.045 -14.920 1.00 0.00 PRO +ATOM 5859 HA LYS 415 -0.208 2.670 -14.314 1.00 0.00 PRO +ATOM 5860 CB LYS 415 -0.601 4.387 -15.582 1.00 0.00 PRO +ATOM 5861 HB1 LYS 415 0.262 4.189 -16.258 1.00 0.00 PRO +ATOM 5862 HB2 LYS 415 -0.215 5.071 -14.794 1.00 0.00 PRO +ATOM 5863 CG LYS 415 -1.688 5.130 -16.374 1.00 0.00 PRO +ATOM 5864 HG1 LYS 415 -2.600 5.250 -15.748 1.00 0.00 PRO +ATOM 5865 HG2 LYS 415 -1.962 4.531 -17.272 1.00 0.00 PRO +ATOM 5866 CD LYS 415 -1.187 6.524 -16.789 1.00 0.00 PRO +ATOM 5867 HD1 LYS 415 -0.316 6.390 -17.474 1.00 0.00 PRO +ATOM 5868 HD2 LYS 415 -0.801 7.028 -15.872 1.00 0.00 PRO +ATOM 5869 CE LYS 415 -2.272 7.375 -17.443 1.00 0.00 PRO +ATOM 5870 HE1 LYS 415 -3.163 7.443 -16.779 1.00 0.00 PRO +ATOM 5871 HE2 LYS 415 -2.577 6.931 -18.415 1.00 0.00 PRO +ATOM 5872 NZ LYS 415 -1.766 8.744 -17.677 1.00 0.00 PRO +ATOM 5873 HZ1 LYS 415 -0.898 8.712 -18.253 1.00 0.00 PRO +ATOM 5874 HZ2 LYS 415 -1.519 9.175 -16.763 1.00 0.00 PRO +ATOM 5875 HZ3 LYS 415 -2.490 9.319 -18.153 1.00 0.00 PRO +ATOM 5876 C LYS 415 -2.167 3.304 -13.980 1.00 0.00 PRO +ATOM 5877 O LYS 415 -3.328 2.985 -14.265 1.00 0.00 PRO +ATOM 5878 N VAL 416 -1.862 3.927 -12.841 1.00 0.00 PRO +ATOM 5879 HN VAL 416 -0.905 4.171 -12.653 1.00 0.00 PRO +ATOM 5880 CA VAL 416 -2.843 4.419 -11.900 1.00 0.00 PRO +ATOM 5881 HA VAL 416 -3.837 4.286 -12.306 1.00 0.00 PRO +ATOM 5882 CB VAL 416 -2.785 3.709 -10.549 1.00 0.00 PRO +ATOM 5883 HB VAL 416 -2.834 2.613 -10.756 1.00 0.00 PRO +ATOM 5884 CG1 VAL 416 -1.461 3.977 -9.807 1.00 0.00 PRO +ATOM 5885 HG11 VAL 416 -1.375 5.038 -9.497 1.00 0.00 PRO +ATOM 5886 HG12 VAL 416 -0.593 3.719 -10.447 1.00 0.00 PRO +ATOM 5887 HG13 VAL 416 -1.407 3.348 -8.890 1.00 0.00 PRO +ATOM 5888 CG2 VAL 416 -4.011 4.081 -9.685 1.00 0.00 PRO +ATOM 5889 HG21 VAL 416 -4.957 3.888 -10.233 1.00 0.00 PRO +ATOM 5890 HG22 VAL 416 -3.981 5.146 -9.376 1.00 0.00 PRO +ATOM 5891 HG23 VAL 416 -4.019 3.470 -8.757 1.00 0.00 PRO +ATOM 5892 C VAL 416 -2.597 5.907 -11.790 1.00 0.00 PRO +ATOM 5893 O VAL 416 -1.481 6.401 -11.913 1.00 0.00 PRO +ATOM 5894 N THR 417 -3.677 6.695 -11.629 1.00 0.00 PRO +ATOM 5895 HN THR 417 -4.589 6.292 -11.551 1.00 0.00 PRO +ATOM 5896 CA THR 417 -3.538 8.119 -11.374 1.00 0.00 PRO +ATOM 5897 HA THR 417 -2.519 8.351 -11.097 1.00 0.00 PRO +ATOM 5898 CB THR 417 -3.931 9.009 -12.549 1.00 0.00 PRO +ATOM 5899 HB THR 417 -4.997 8.831 -12.822 1.00 0.00 PRO +ATOM 5900 OG1 THR 417 -3.116 8.712 -13.679 1.00 0.00 PRO +ATOM 5901 HG1 THR 417 -3.152 7.748 -13.731 1.00 0.00 PRO +ATOM 5902 CG2 THR 417 -3.716 10.495 -12.231 1.00 0.00 PRO +ATOM 5903 HG21 THR 417 -2.674 10.678 -11.897 1.00 0.00 PRO +ATOM 5904 HG22 THR 417 -4.401 10.841 -11.429 1.00 0.00 PRO +ATOM 5905 HG23 THR 417 -3.901 11.110 -13.134 1.00 0.00 PRO +ATOM 5906 C THR 417 -4.391 8.445 -10.182 1.00 0.00 PRO +ATOM 5907 O THR 417 -5.595 8.196 -10.178 1.00 0.00 PRO +ATOM 5908 N PHE 418 -3.773 9.031 -9.146 1.00 0.00 PRO +ATOM 5909 HN PHE 418 -2.799 9.261 -9.210 1.00 0.00 PRO +ATOM 5910 CA PHE 418 -4.441 9.517 -7.961 1.00 0.00 PRO +ATOM 5911 HA PHE 418 -5.470 9.174 -7.936 1.00 0.00 PRO +ATOM 5912 CB PHE 418 -3.717 9.122 -6.645 1.00 0.00 PRO +ATOM 5913 HB1 PHE 418 -4.265 9.506 -5.758 1.00 0.00 PRO +ATOM 5914 HB2 PHE 418 -2.688 9.539 -6.633 1.00 0.00 PRO +ATOM 5915 CG PHE 418 -3.620 7.628 -6.510 1.00 0.00 PRO +ATOM 5916 CD1 PHE 418 -4.744 6.885 -6.112 1.00 0.00 PRO +ATOM 5917 HD1 PHE 418 -5.684 7.385 -5.935 1.00 0.00 PRO +ATOM 5918 CE1 PHE 418 -4.657 5.499 -5.938 1.00 0.00 PRO +ATOM 5919 HE1 PHE 418 -5.525 4.934 -5.630 1.00 0.00 PRO +ATOM 5920 CZ PHE 418 -3.438 4.845 -6.147 1.00 0.00 PRO +ATOM 5921 HZ PHE 418 -3.363 3.777 -5.999 1.00 0.00 PRO +ATOM 5922 CD2 PHE 418 -2.397 6.960 -6.704 1.00 0.00 PRO +ATOM 5923 HD2 PHE 418 -1.517 7.519 -6.984 1.00 0.00 PRO +ATOM 5924 CE2 PHE 418 -2.306 5.574 -6.526 1.00 0.00 PRO +ATOM 5925 HE2 PHE 418 -1.365 5.059 -6.667 1.00 0.00 PRO +ATOM 5926 C PHE 418 -4.446 11.021 -8.071 1.00 0.00 PRO +ATOM 5927 O PHE 418 -3.532 11.630 -8.650 1.00 0.00 PRO +ATOM 5928 N SER 419 -5.481 11.692 -7.569 1.00 0.00 PRO +ATOM 5929 HN SER 419 -6.260 11.225 -7.125 1.00 0.00 PRO +ATOM 5930 CA SER 419 -5.507 13.137 -7.609 1.00 0.00 PRO +ATOM 5931 HA SER 419 -4.533 13.481 -7.292 1.00 0.00 PRO +ATOM 5932 CB SER 419 -5.828 13.729 -9.018 1.00 0.00 PRO +ATOM 5933 HB1 SER 419 -4.998 13.454 -9.705 1.00 0.00 PRO +ATOM 5934 HB2 SER 419 -5.872 14.840 -8.986 1.00 0.00 PRO +ATOM 5935 OG SER 419 -7.042 13.207 -9.568 1.00 0.00 PRO +ATOM 5936 HG1 SER 419 -6.959 12.249 -9.499 1.00 0.00 PRO +ATOM 5937 C SER 419 -6.480 13.655 -6.585 1.00 0.00 PRO +ATOM 5938 O SER 419 -7.253 12.907 -6.007 1.00 0.00 PRO +ATOM 5939 N ASN 420 -6.434 14.975 -6.304 1.00 0.00 PRO +ATOM 5940 HN ASN 420 -5.702 15.513 -6.715 1.00 0.00 PRO +ATOM 5941 CA ASN 420 -7.458 15.669 -5.535 1.00 0.00 PRO +ATOM 5942 HA ASN 420 -7.122 16.691 -5.460 1.00 0.00 PRO +ATOM 5943 CB ASN 420 -8.823 15.633 -6.290 1.00 0.00 PRO +ATOM 5944 HB1 ASN 420 -9.281 14.629 -6.167 1.00 0.00 PRO +ATOM 5945 HB2 ASN 420 -8.629 15.781 -7.371 1.00 0.00 PRO +ATOM 5946 CG ASN 420 -9.823 16.703 -5.848 1.00 0.00 PRO +ATOM 5947 OD1 ASN 420 -9.509 17.734 -5.252 1.00 0.00 PRO +ATOM 5948 ND2 ASN 420 -11.111 16.457 -6.186 1.00 0.00 PRO +ATOM 5949 HD21 ASN 420 -11.326 15.595 -6.654 1.00 0.00 PRO +ATOM 5950 HD22 ASN 420 -11.842 16.955 -5.713 1.00 0.00 PRO +ATOM 5951 C ASN 420 -7.587 15.174 -4.098 1.00 0.00 PRO +ATOM 5952 O ASN 420 -8.680 14.958 -3.588 1.00 0.00 PRO +ATOM 5953 N ILE 421 -6.446 14.982 -3.407 1.00 0.00 PRO +ATOM 5954 HN ILE 421 -5.560 15.105 -3.838 1.00 0.00 PRO +ATOM 5955 CA ILE 421 -6.437 14.599 -2.008 1.00 0.00 PRO +ATOM 5956 HA ILE 421 -7.110 13.755 -1.900 1.00 0.00 PRO +ATOM 5957 CB ILE 421 -5.063 14.120 -1.538 1.00 0.00 PRO +ATOM 5958 HB ILE 421 -4.307 14.898 -1.794 1.00 0.00 PRO +ATOM 5959 CG2 ILE 421 -5.056 13.910 -0.003 1.00 0.00 PRO +ATOM 5960 HG21 ILE 421 -5.899 13.247 0.287 1.00 0.00 PRO +ATOM 5961 HG22 ILE 421 -5.159 14.865 0.551 1.00 0.00 PRO +ATOM 5962 HG23 ILE 421 -4.111 13.436 0.330 1.00 0.00 PRO +ATOM 5963 CG1 ILE 421 -4.683 12.815 -2.286 1.00 0.00 PRO +ATOM 5964 HG11 ILE 421 -4.916 12.911 -3.369 1.00 0.00 PRO +ATOM 5965 HG12 ILE 421 -5.316 11.988 -1.891 1.00 0.00 PRO +ATOM 5966 CD ILE 421 -3.203 12.438 -2.155 1.00 0.00 PRO +ATOM 5967 HD1 ILE 421 -2.911 12.338 -1.089 1.00 0.00 PRO +ATOM 5968 HD2 ILE 421 -2.554 13.211 -2.622 1.00 0.00 PRO +ATOM 5969 HD3 ILE 421 -3.011 11.461 -2.647 1.00 0.00 PRO +ATOM 5970 C ILE 421 -6.992 15.697 -1.124 1.00 0.00 PRO +ATOM 5971 O ILE 421 -6.553 16.863 -1.177 1.00 0.00 PRO +ATOM 5972 N LYS 422 -7.971 15.370 -0.281 1.00 0.00 PRO +ATOM 5973 HN LYS 422 -8.325 14.424 -0.262 1.00 0.00 PRO +ATOM 5974 CA LYS 422 -8.581 16.311 0.622 1.00 0.00 PRO +ATOM 5975 HA LYS 422 -7.892 17.113 0.821 1.00 0.00 PRO +ATOM 5976 CB LYS 422 -9.944 16.865 0.119 1.00 0.00 PRO +ATOM 5977 HB1 LYS 422 -10.230 17.700 0.793 1.00 0.00 PRO +ATOM 5978 HB2 LYS 422 -10.719 16.074 0.204 1.00 0.00 PRO +ATOM 5979 CG LYS 422 -9.949 17.325 -1.350 1.00 0.00 PRO +ATOM 5980 HG1 LYS 422 -9.812 16.426 -1.995 1.00 0.00 PRO +ATOM 5981 HG2 LYS 422 -9.084 17.991 -1.552 1.00 0.00 PRO +ATOM 5982 CD LYS 422 -11.254 18.021 -1.786 1.00 0.00 PRO +ATOM 5983 HD1 LYS 422 -12.086 17.287 -1.674 1.00 0.00 PRO +ATOM 5984 HD2 LYS 422 -11.156 18.253 -2.872 1.00 0.00 PRO +ATOM 5985 CE LYS 422 -11.579 19.299 -0.997 1.00 0.00 PRO +ATOM 5986 HE1 LYS 422 -10.746 20.029 -1.081 1.00 0.00 PRO +ATOM 5987 HE2 LYS 422 -11.751 19.062 0.074 1.00 0.00 PRO +ATOM 5988 NZ LYS 422 -12.813 19.923 -1.512 1.00 0.00 PRO +ATOM 5989 HZ1 LYS 422 -13.605 19.252 -1.393 1.00 0.00 PRO +ATOM 5990 HZ2 LYS 422 -12.706 20.153 -2.517 1.00 0.00 PRO +ATOM 5991 HZ3 LYS 422 -13.072 20.792 -0.989 1.00 0.00 PRO +ATOM 5992 C LYS 422 -8.805 15.557 1.915 1.00 0.00 PRO +ATOM 5993 O LYS 422 -9.210 14.422 1.944 1.00 0.00 PRO +ATOM 5994 N PHE 423 -8.493 16.238 3.037 1.00 0.00 PRO +ATOM 5995 HN PHE 423 -8.125 17.160 3.001 1.00 0.00 PRO +ATOM 5996 CA PHE 423 -8.543 15.616 4.332 1.00 0.00 PRO +ATOM 5997 HA PHE 423 -9.261 14.801 4.335 1.00 0.00 PRO +ATOM 5998 CB PHE 423 -7.131 15.060 4.673 1.00 0.00 PRO +ATOM 5999 HB1 PHE 423 -6.372 15.837 4.435 1.00 0.00 PRO +ATOM 6000 HB2 PHE 423 -6.920 14.181 4.026 1.00 0.00 PRO +ATOM 6001 CG PHE 423 -6.972 14.648 6.111 1.00 0.00 PRO +ATOM 6002 CD1 PHE 423 -7.505 13.434 6.567 1.00 0.00 PRO +ATOM 6003 HD1 PHE 423 -8.046 12.794 5.884 1.00 0.00 PRO +ATOM 6004 CE1 PHE 423 -7.346 13.045 7.902 1.00 0.00 PRO +ATOM 6005 HE1 PHE 423 -7.764 12.108 8.242 1.00 0.00 PRO +ATOM 6006 CZ PHE 423 -6.639 13.865 8.788 1.00 0.00 PRO +ATOM 6007 HZ PHE 423 -6.506 13.548 9.809 1.00 0.00 PRO +ATOM 6008 CD2 PHE 423 -6.260 15.464 7.007 1.00 0.00 PRO +ATOM 6009 HD2 PHE 423 -5.831 16.386 6.647 1.00 0.00 PRO +ATOM 6010 CE2 PHE 423 -6.090 15.075 8.342 1.00 0.00 PRO +ATOM 6011 HE2 PHE 423 -5.519 15.690 9.020 1.00 0.00 PRO +ATOM 6012 C PHE 423 -9.060 16.631 5.322 1.00 0.00 PRO +ATOM 6013 O PHE 423 -8.576 17.782 5.374 1.00 0.00 PRO +ATOM 6014 N GLY 424 -10.056 16.292 6.131 1.00 0.00 PRO +ATOM 6015 HN GLY 424 -10.461 15.365 6.112 1.00 0.00 PRO +ATOM 6016 CA GLY 424 -10.594 17.216 7.110 1.00 0.00 PRO +ATOM 6017 HA1 GLY 424 -11.230 17.916 6.598 1.00 0.00 PRO +ATOM 6018 HA2 GLY 424 -9.781 17.676 7.645 1.00 0.00 PRO +ATOM 6019 C GLY 424 -11.441 16.434 8.077 1.00 0.00 PRO +ATOM 6020 O GLY 424 -11.534 15.239 7.952 1.00 0.00 PRO +ATOM 6021 N PRO 425 -12.072 17.107 9.046 1.00 0.00 PRO +ATOM 6022 CD PRO 425 -11.780 18.485 9.414 1.00 0.00 PRO +ATOM 6023 HD1 PRO 425 -12.186 19.166 8.631 1.00 0.00 PRO +ATOM 6024 HD2 PRO 425 -10.688 18.654 9.539 1.00 0.00 PRO +ATOM 6025 CA PRO 425 -13.217 16.577 9.787 1.00 0.00 PRO +ATOM 6026 HA PRO 425 -12.825 15.810 10.440 1.00 0.00 PRO +ATOM 6027 CB PRO 425 -13.760 17.802 10.544 1.00 0.00 PRO +ATOM 6028 HB1 PRO 425 -14.229 17.509 11.507 1.00 0.00 PRO +ATOM 6029 HB2 PRO 425 -14.504 18.350 9.922 1.00 0.00 PRO +ATOM 6030 CG PRO 425 -12.523 18.679 10.735 1.00 0.00 PRO +ATOM 6031 HG1 PRO 425 -12.771 19.736 10.947 1.00 0.00 PRO +ATOM 6032 HG2 PRO 425 -11.910 18.262 11.568 1.00 0.00 PRO +ATOM 6033 C PRO 425 -14.295 15.925 8.950 1.00 0.00 PRO +ATOM 6034 O PRO 425 -14.425 16.243 7.760 1.00 0.00 PRO +ATOM 6035 N ILE 426 -15.093 15.024 9.532 1.00 0.00 PRO +ATOM 6036 HN ILE 426 -14.949 14.797 10.492 1.00 0.00 PRO +ATOM 6037 CA ILE 426 -16.196 14.371 8.836 1.00 0.00 PRO +ATOM 6038 HA ILE 426 -15.777 13.891 7.961 1.00 0.00 PRO +ATOM 6039 CB ILE 426 -16.837 13.274 9.683 1.00 0.00 PRO +ATOM 6040 HB ILE 426 -17.153 13.712 10.654 1.00 0.00 PRO +ATOM 6041 CG2 ILE 426 -18.102 12.695 9.006 1.00 0.00 PRO +ATOM 6042 HG21 ILE 426 -17.841 12.288 8.009 1.00 0.00 PRO +ATOM 6043 HG22 ILE 426 -18.900 13.456 8.882 1.00 0.00 PRO +ATOM 6044 HG23 ILE 426 -18.535 11.874 9.612 1.00 0.00 PRO +ATOM 6045 CG1 ILE 426 -15.787 12.171 9.950 1.00 0.00 PRO +ATOM 6046 HG11 ILE 426 -14.830 12.614 10.302 1.00 0.00 PRO +ATOM 6047 HG12 ILE 426 -15.568 11.656 8.987 1.00 0.00 PRO +ATOM 6048 CD ILE 426 -16.223 11.139 10.990 1.00 0.00 PRO +ATOM 6049 HD1 ILE 426 -17.128 10.587 10.659 1.00 0.00 PRO +ATOM 6050 HD2 ILE 426 -16.423 11.621 11.969 1.00 0.00 PRO +ATOM 6051 HD3 ILE 426 -15.411 10.398 11.126 1.00 0.00 PRO +ATOM 6052 C ILE 426 -17.240 15.352 8.320 1.00 0.00 PRO +ATOM 6053 O ILE 426 -17.806 16.140 9.088 1.00 0.00 PRO +ATOM 6054 N GLY 427 -17.507 15.322 7.001 1.00 0.00 PRO +ATOM 6055 HN GLY 427 -17.022 14.658 6.407 1.00 0.00 PRO +ATOM 6056 CA GLY 427 -18.448 16.213 6.332 1.00 0.00 PRO +ATOM 6057 HA1 GLY 427 -19.271 16.427 6.998 1.00 0.00 PRO +ATOM 6058 HA2 GLY 427 -18.758 15.717 5.424 1.00 0.00 PRO +ATOM 6059 C GLY 427 -17.838 17.523 5.929 1.00 0.00 PRO +ATOM 6060 O GLY 427 -18.547 18.537 5.799 1.00 0.00 PRO +ATOM 6061 N SER 428 -16.514 17.581 5.720 1.00 0.00 PRO +ATOM 6062 HN SER 428 -15.971 16.736 5.811 1.00 0.00 PRO +ATOM 6063 CA SER 428 -15.853 18.823 5.334 1.00 0.00 PRO +ATOM 6064 HA SER 428 -16.587 19.602 5.234 1.00 0.00 PRO +ATOM 6065 CB SER 428 -14.825 19.327 6.382 1.00 0.00 PRO +ATOM 6066 HB1 SER 428 -15.333 19.417 7.368 1.00 0.00 PRO +ATOM 6067 HB2 SER 428 -14.475 20.341 6.087 1.00 0.00 PRO +ATOM 6068 OG SER 428 -13.686 18.477 6.508 1.00 0.00 PRO +ATOM 6069 HG1 SER 428 -14.008 17.629 6.885 1.00 0.00 PRO +ATOM 6070 C SER 428 -15.163 18.746 3.998 1.00 0.00 PRO +ATOM 6071 O SER 428 -14.811 19.795 3.428 1.00 0.00 PRO +ATOM 6072 N THR 429 -14.974 17.563 3.401 1.00 0.00 PRO +ATOM 6073 HN THR 429 -15.286 16.702 3.844 1.00 0.00 PRO +ATOM 6074 CA THR 429 -14.129 17.431 2.213 1.00 0.00 PRO +ATOM 6075 HA THR 429 -13.385 18.214 2.230 1.00 0.00 PRO +ATOM 6076 CB THR 429 -13.364 16.116 2.140 1.00 0.00 PRO +ATOM 6077 HB THR 429 -12.773 16.063 1.196 1.00 0.00 PRO +ATOM 6078 OG1 THR 429 -14.221 14.983 2.187 1.00 0.00 PRO +ATOM 6079 HG1 THR 429 -14.666 14.985 3.063 1.00 0.00 PRO +ATOM 6080 CG2 THR 429 -12.375 16.026 3.315 1.00 0.00 PRO +ATOM 6081 HG21 THR 429 -12.912 16.025 4.288 1.00 0.00 PRO +ATOM 6082 HG22 THR 429 -11.671 16.883 3.305 1.00 0.00 PRO +ATOM 6083 HG23 THR 429 -11.786 15.085 3.249 1.00 0.00 PRO +ATOM 6084 C THR 429 -14.904 17.632 0.929 1.00 0.00 PRO +ATOM 6085 O THR 429 -14.319 17.765 -0.160 1.00 0.00 PRO +ATOM 6086 N GLY 430 -16.240 17.758 1.021 1.00 0.00 PRO +ATOM 6087 HN GLY 430 -16.678 17.614 1.916 1.00 0.00 PRO +ATOM 6088 CA GLY 430 -17.099 18.153 -0.091 1.00 0.00 PRO +ATOM 6089 HA1 GLY 430 -18.118 17.954 0.201 1.00 0.00 PRO +ATOM 6090 HA2 GLY 430 -16.801 17.624 -0.982 1.00 0.00 PRO +ATOM 6091 C GLY 430 -17.021 19.623 -0.365 1.00 0.00 PRO +ATOM 6092 O GLY 430 -17.146 20.075 -1.511 1.00 0.00 PRO +ATOM 6093 N ASN 431 -16.801 20.413 0.694 1.00 0.00 PRO +ATOM 6094 HN ASN 431 -16.650 19.987 1.584 1.00 0.00 PRO +ATOM 6095 CA ASN 431 -16.760 21.860 0.667 1.00 0.00 PRO +ATOM 6096 HA ASN 431 -17.708 22.144 0.233 1.00 0.00 PRO +ATOM 6097 CB ASN 431 -16.677 22.443 2.105 1.00 0.00 PRO +ATOM 6098 HB1 ASN 431 -16.700 23.552 2.075 1.00 0.00 PRO +ATOM 6099 HB2 ASN 431 -15.734 22.119 2.588 1.00 0.00 PRO +ATOM 6100 CG ASN 431 -17.890 21.995 2.924 1.00 0.00 PRO +ATOM 6101 OD1 ASN 431 -19.020 21.926 2.447 1.00 0.00 PRO +ATOM 6102 ND2 ASN 431 -17.661 21.655 4.208 1.00 0.00 PRO +ATOM 6103 HD21 ASN 431 -18.440 21.253 4.711 1.00 0.00 PRO +ATOM 6104 HD22 ASN 431 -16.751 21.707 4.585 1.00 0.00 PRO +ATOM 6105 C ASN 431 -15.641 22.407 -0.236 1.00 0.00 PRO +ATOM 6106 O ASN 431 -14.598 21.738 -0.381 1.00 0.00 PRO +ATOM 6107 N PRO 432 -15.820 23.549 -0.911 1.00 0.00 PRO +ATOM 6108 CD PRO 432 -16.998 24.419 -0.758 1.00 0.00 PRO +ATOM 6109 HD1 PRO 432 -16.958 24.910 0.241 1.00 0.00 PRO +ATOM 6110 HD2 PRO 432 -17.952 23.862 -0.877 1.00 0.00 PRO +ATOM 6111 CA PRO 432 -14.864 24.140 -1.845 1.00 0.00 PRO +ATOM 6112 HA PRO 432 -14.974 23.564 -2.753 1.00 0.00 PRO +ATOM 6113 CB PRO 432 -15.347 25.585 -2.027 1.00 0.00 PRO +ATOM 6114 HB1 PRO 432 -15.054 26.012 -3.006 1.00 0.00 PRO +ATOM 6115 HB2 PRO 432 -14.945 26.231 -1.210 1.00 0.00 PRO +ATOM 6116 CG PRO 432 -16.861 25.471 -1.863 1.00 0.00 PRO +ATOM 6117 HG1 PRO 432 -17.335 26.434 -1.583 1.00 0.00 PRO +ATOM 6118 HG2 PRO 432 -17.321 25.083 -2.799 1.00 0.00 PRO +ATOM 6119 C PRO 432 -13.384 24.071 -1.508 1.00 0.00 PRO +ATOM 6120 O PRO 432 -12.971 24.361 -0.391 1.00 0.00 PRO +ATOM 6121 N SER 433 -12.553 23.689 -2.494 1.00 0.00 PRO +ATOM 6122 HN SER 433 -12.913 23.428 -3.383 1.00 0.00 PRO +ATOM 6123 CA SER 433 -11.108 23.792 -2.389 1.00 0.00 PRO +ATOM 6124 HA SER 433 -10.806 23.324 -1.462 1.00 0.00 PRO +ATOM 6125 CB SER 433 -10.391 23.061 -3.543 1.00 0.00 PRO +ATOM 6126 HB1 SER 433 -9.287 23.131 -3.397 1.00 0.00 PRO +ATOM 6127 HB2 SER 433 -10.643 23.550 -4.513 1.00 0.00 PRO +ATOM 6128 OG SER 433 -10.784 21.685 -3.602 1.00 0.00 PRO +ATOM 6129 HG1 SER 433 -10.177 21.307 -4.255 1.00 0.00 PRO +ATOM 6130 C SER 433 -10.601 25.222 -2.349 1.00 0.00 PRO +ATOM 6131 O SER 433 -11.169 26.103 -3.025 1.00 0.00 PRO +ATOM 6132 N GLY 434 -9.519 25.491 -1.606 1.00 0.00 PRO +ATOM 6133 HN GLY 434 -9.031 24.759 -1.116 1.00 0.00 PRO +ATOM 6134 CA GLY 434 -8.861 26.788 -1.527 1.00 0.00 PRO +ATOM 6135 HA1 GLY 434 -9.182 27.268 -0.613 1.00 0.00 PRO +ATOM 6136 HA2 GLY 434 -9.096 27.367 -2.410 1.00 0.00 PRO +ATOM 6137 C GLY 434 -7.329 26.609 -1.489 1.00 0.00 PRO +ATOM 6138 OT1 GLY 434 -6.790 25.853 -2.343 1.00 0.00 PRO +ATOM 6139 OT2 GLY 434 -6.658 27.228 -0.616 1.00 0.00 PRO +ATOM 6140 C1 BGLC 1 -7.057 -14.261 1.889 1.00 0.00 HET +ATOM 6141 H1 BGLC 1 -6.905 -14.342 2.994 1.00 0.00 HET +ATOM 6142 O1 BGLC 1 -7.529 -15.489 1.392 1.00 0.00 HET +ATOM 6143 HO1 BGLC 1 -6.909 -16.131 1.751 1.00 0.00 HET +ATOM 6144 C5 BGLC 1 -7.626 -12.012 2.244 1.00 0.00 HET +ATOM 6145 H5 BGLC 1 -7.455 -12.220 3.330 1.00 0.00 HET +ATOM 6146 O5 BGLC 1 -7.991 -13.235 1.575 1.00 0.00 HET +ATOM 6147 C2 BGLC 1 -5.758 -13.890 1.191 1.00 0.00 HET +ATOM 6148 H2 BGLC 1 -5.996 -13.783 0.108 1.00 0.00 HET +ATOM 6149 O2 BGLC 1 -4.734 -14.900 1.288 1.00 0.00 HET +ATOM 6150 HO2 BGLC 1 -3.952 -14.498 0.903 1.00 0.00 HET +ATOM 6151 C3 BGLC 1 -5.238 -12.549 1.673 1.00 0.00 HET +ATOM 6152 H3 BGLC 1 -4.902 -12.673 2.732 1.00 0.00 HET +ATOM 6153 O3 BGLC 1 -4.106 -12.150 0.893 1.00 0.00 HET +ATOM 6154 HO3 BGLC 1 -3.740 -11.338 1.282 1.00 0.00 HET +ATOM 6155 C4 BGLC 1 -6.316 -11.483 1.663 1.00 0.00 HET +ATOM 6156 H4 BGLC 1 -6.526 -11.156 0.619 1.00 0.00 HET +ATOM 6157 O4 BGLC 1 -5.904 -10.375 2.468 1.00 0.00 HET +ATOM 6158 C6 BGLC 1 -8.797 -11.049 2.184 1.00 0.00 HET +ATOM 6159 H61 BGLC 1 -8.547 -10.112 2.736 1.00 0.00 HET +ATOM 6160 H62 BGLC 1 -9.666 -11.503 2.715 1.00 0.00 HET +ATOM 6161 O6 BGLC 1 -9.218 -10.717 0.851 1.00 0.00 HET +ATOM 6162 HO6 BGLC 1 -9.900 -10.025 0.963 1.00 0.00 HET +ATOM 6163 C1 BGLC 2 -5.227 -9.332 1.808 1.00 0.00 HET +ATOM 6164 H1 BGLC 2 -5.553 -9.258 0.748 1.00 0.00 HET +ATOM 6165 C5 BGLC 2 -3.093 -8.501 1.195 1.00 0.00 HET +ATOM 6166 H5 BGLC 2 -3.496 -8.433 0.156 1.00 0.00 HET +ATOM 6167 O5 BGLC 2 -3.809 -9.531 1.898 1.00 0.00 HET +ATOM 6168 C2 BGLC 2 -5.559 -8.035 2.516 1.00 0.00 HET +ATOM 6169 H2 BGLC 2 -5.211 -8.115 3.574 1.00 0.00 HET +ATOM 6170 O2 BGLC 2 -6.978 -7.830 2.541 1.00 0.00 HET +ATOM 6171 HO2 BGLC 2 -7.274 -7.893 3.465 1.00 0.00 HET +ATOM 6172 C3 BGLC 2 -4.810 -6.871 1.875 1.00 0.00 HET +ATOM 6173 H3 BGLC 2 -5.161 -6.785 0.821 1.00 0.00 HET +ATOM 6174 O3 BGLC 2 -5.124 -5.656 2.546 1.00 0.00 HET +ATOM 6175 HO3 BGLC 2 -4.839 -4.825 2.132 1.00 0.00 HET +ATOM 6176 C4 BGLC 2 -3.320 -7.152 1.879 1.00 0.00 HET +ATOM 6177 H4 BGLC 2 -2.952 -7.206 2.931 1.00 0.00 HET +ATOM 6178 O4 BGLC 2 -2.571 -6.174 1.146 1.00 0.00 HET +ATOM 6179 C6 BGLC 2 -1.638 -8.915 1.077 1.00 0.00 HET +ATOM 6180 H61 BGLC 2 -1.163 -8.857 2.077 1.00 0.00 HET +ATOM 6181 H62 BGLC 2 -1.091 -8.209 0.409 1.00 0.00 HET +ATOM 6182 O6 BGLC 2 -1.493 -10.254 0.585 1.00 0.00 HET +ATOM 6183 HO6 BGLC 2 -1.693 -10.265 -0.361 1.00 0.00 HET +ATOM 6184 C1 BGLC 3 -2.037 -5.067 1.866 1.00 0.00 HET +ATOM 6185 H1 BGLC 3 -2.699 -4.816 2.728 1.00 0.00 HET +ATOM 6186 C5 BGLC 3 -0.976 -3.087 0.892 1.00 0.00 HET +ATOM 6187 H5 BGLC 3 -0.887 -2.476 1.824 1.00 0.00 HET +ATOM 6188 O5 BGLC 3 -2.119 -3.947 0.974 1.00 0.00 HET +ATOM 6189 C2 BGLC 3 -0.660 -5.483 2.425 1.00 0.00 HET +ATOM 6190 H2 BGLC 3 -0.440 -6.473 1.955 1.00 0.00 HET +ATOM 6191 O2 BGLC 3 -0.695 -5.734 3.835 1.00 0.00 HET +ATOM 6192 HO2 BGLC 3 -0.784 -4.880 4.323 1.00 0.00 HET +ATOM 6193 C3 BGLC 3 0.524 -4.606 2.044 1.00 0.00 HET +ATOM 6194 H3 BGLC 3 0.639 -3.796 2.807 1.00 0.00 HET +ATOM 6195 O3 BGLC 3 1.738 -5.368 2.037 1.00 0.00 HET +ATOM 6196 HO3 BGLC 3 2.325 -5.034 2.747 1.00 0.00 HET +ATOM 6197 C4 BGLC 3 0.257 -3.940 0.716 1.00 0.00 HET +ATOM 6198 H4 BGLC 3 0.032 -4.728 -0.043 1.00 0.00 HET +ATOM 6199 O4 BGLC 3 1.340 -3.109 0.267 1.00 0.00 HET +ATOM 6200 C6 BGLC 3 -1.251 -2.131 -0.259 1.00 0.00 HET +ATOM 6201 H61 BGLC 3 -0.359 -1.508 -0.469 1.00 0.00 HET +ATOM 6202 H62 BGLC 3 -2.075 -1.445 0.049 1.00 0.00 HET +ATOM 6203 O6 BGLC 3 -1.653 -2.816 -1.452 1.00 0.00 HET +ATOM 6204 HO6 BGLC 3 -2.433 -3.319 -1.160 1.00 0.00 HET +ATOM 6205 C1 BGLC 4 1.965 -3.637 -0.872 1.00 0.00 HET +ATOM 6206 H1 BGLC 4 1.210 -3.896 -1.650 1.00 0.00 HET +ATOM 6207 C5 BGLC 4 3.270 -5.479 -1.623 1.00 0.00 HET +ATOM 6208 H5 BGLC 4 2.444 -5.731 -2.324 1.00 0.00 HET +ATOM 6209 O5 BGLC 4 2.770 -4.756 -0.502 1.00 0.00 HET +ATOM 6210 C2 BGLC 4 2.946 -2.619 -1.399 1.00 0.00 HET +ATOM 6211 H2 BGLC 4 3.685 -2.430 -0.585 1.00 0.00 HET +ATOM 6212 O2 BGLC 4 2.324 -1.362 -1.719 1.00 0.00 HET +ATOM 6213 HO2 BGLC 4 2.107 -0.930 -0.871 1.00 0.00 HET +ATOM 6214 C3 BGLC 4 3.682 -3.211 -2.591 1.00 0.00 HET +ATOM 6215 H3 BGLC 4 2.914 -3.357 -3.388 1.00 0.00 HET +ATOM 6216 O3 BGLC 4 4.690 -2.337 -3.103 1.00 0.00 HET +ATOM 6217 HO3 BGLC 4 4.852 -2.622 -4.012 1.00 0.00 HET +ATOM 6218 C4 BGLC 4 4.282 -4.572 -2.299 1.00 0.00 HET +ATOM 6219 H4 BGLC 4 5.138 -4.441 -1.595 1.00 0.00 HET +ATOM 6220 O4 BGLC 4 4.721 -5.128 -3.546 1.00 0.00 HET +ATOM 6221 C6 BGLC 4 3.849 -6.755 -1.052 1.00 0.00 HET +ATOM 6222 H61 BGLC 4 4.605 -6.510 -0.269 1.00 0.00 HET +ATOM 6223 H62 BGLC 4 4.353 -7.337 -1.851 1.00 0.00 HET +ATOM 6224 O6 BGLC 4 2.842 -7.579 -0.460 1.00 0.00 HET +ATOM 6225 HO6 BGLC 4 2.434 -7.071 0.260 1.00 0.00 HET +ATOM 6226 C1 BGLC 5 6.039 -5.612 -3.575 1.00 0.00 HET +ATOM 6227 H1 BGLC 5 6.135 -6.484 -2.889 1.00 0.00 HET +ATOM 6228 C5 BGLC 5 8.314 -5.090 -3.209 1.00 0.00 HET +ATOM 6229 H5 BGLC 5 8.354 -6.091 -2.722 1.00 0.00 HET +ATOM 6230 O5 BGLC 5 6.971 -4.589 -3.188 1.00 0.00 HET +ATOM 6231 C2 BGLC 5 6.315 -6.050 -5.014 1.00 0.00 HET +ATOM 6232 H2 BGLC 5 6.073 -5.176 -5.668 1.00 0.00 HET +ATOM 6233 O2 BGLC 5 5.488 -7.153 -5.413 1.00 0.00 HET +ATOM 6234 HO2 BGLC 5 4.855 -6.896 -6.107 1.00 0.00 HET +ATOM 6235 C3 BGLC 5 7.787 -6.384 -5.214 1.00 0.00 HET +ATOM 6236 H3 BGLC 5 8.011 -7.308 -4.630 1.00 0.00 HET +ATOM 6237 O3 BGLC 5 8.091 -6.679 -6.579 1.00 0.00 HET +ATOM 6238 HO3 BGLC 5 7.487 -7.359 -6.886 1.00 0.00 HET +ATOM 6239 C4 BGLC 5 8.662 -5.274 -4.675 1.00 0.00 HET +ATOM 6240 H4 BGLC 5 8.424 -4.337 -5.236 1.00 0.00 HET +ATOM 6241 O4 BGLC 5 10.058 -5.584 -4.794 1.00 0.00 HET +ATOM 6242 C6 BGLC 5 9.246 -4.185 -2.423 1.00 0.00 HET +ATOM 6243 H61 BGLC 5 9.190 -3.151 -2.826 1.00 0.00 HET +ATOM 6244 H62 BGLC 5 10.290 -4.546 -2.552 1.00 0.00 HET +ATOM 6245 O6 BGLC 5 8.948 -4.165 -1.017 1.00 0.00 HET +ATOM 6246 HO6 BGLC 5 9.040 -5.070 -0.644 1.00 0.00 HET +ATOM 6247 C1 BGLC 6 10.796 -4.538 -5.370 1.00 0.00 HET +ATOM 6248 H1 BGLC 6 10.515 -3.573 -4.890 1.00 0.00 HET +ATOM 6249 C5 BGLC 6 11.159 -3.313 -7.355 1.00 0.00 HET +ATOM 6250 H5 BGLC 6 10.800 -2.433 -6.771 1.00 0.00 HET +ATOM 6251 O5 BGLC 6 10.584 -4.490 -6.783 1.00 0.00 HET +ATOM 6252 C2 BGLC 6 12.284 -4.789 -5.190 1.00 0.00 HET +ATOM 6253 H2 BGLC 6 12.533 -5.713 -5.767 1.00 0.00 HET +ATOM 6254 O2 BGLC 6 12.646 -5.006 -3.821 1.00 0.00 HET +ATOM 6255 HO2 BGLC 6 13.261 -5.747 -3.795 1.00 0.00 HET +ATOM 6256 C3 BGLC 6 13.069 -3.635 -5.783 1.00 0.00 HET +ATOM 6257 H3 BGLC 6 12.794 -2.717 -5.208 1.00 0.00 HET +ATOM 6258 O3 BGLC 6 14.486 -3.806 -5.664 1.00 0.00 HET +ATOM 6259 HO3 BGLC 6 14.889 -2.981 -5.975 1.00 0.00 HET +ATOM 6260 C4 BGLC 6 12.668 -3.410 -7.220 1.00 0.00 HET +ATOM 6261 H4 BGLC 6 13.012 -4.270 -7.840 1.00 0.00 HET +ATOM 6262 O4 BGLC 6 13.196 -2.175 -7.698 1.00 0.00 HET +ATOM 6263 C6 BGLC 6 10.644 -3.128 -8.774 1.00 0.00 HET +ATOM 6264 H61 BGLC 6 10.759 -2.062 -9.076 1.00 0.00 HET +ATOM 6265 H62 BGLC 6 9.553 -3.361 -8.793 1.00 0.00 HET +ATOM 6266 O6 BGLC 6 11.319 -3.945 -9.737 1.00 0.00 HET +ATOM 6267 HO6 BGLC 6 12.117 -3.504 -10.043 1.00 0.00 HET +ATOM 6268 C1 BGLC 7 14.394 -2.240 -8.422 1.00 0.00 HET +ATOM 6269 H1 BGLC 7 14.460 -3.176 -9.022 1.00 0.00 HET +ATOM 6270 C5 BGLC 7 16.755 -2.151 -8.244 1.00 0.00 HET +ATOM 6271 H5 BGLC 7 16.777 -3.050 -8.906 1.00 0.00 HET +ATOM 6272 O5 BGLC 7 15.513 -2.099 -7.535 1.00 0.00 HET +ATOM 6273 C2 BGLC 7 14.330 -1.031 -9.328 1.00 0.00 HET +ATOM 6274 H2 BGLC 7 14.073 -0.152 -8.686 1.00 0.00 HET +ATOM 6275 O2 BGLC 7 13.293 -1.202 -10.307 1.00 0.00 HET +ATOM 6276 HO2 BGLC 7 12.637 -0.483 -10.255 1.00 0.00 HET +ATOM 6277 C3 BGLC 7 15.655 -0.734 -10.005 1.00 0.00 HET +ATOM 6278 H3 BGLC 7 15.767 -1.468 -10.843 1.00 0.00 HET +ATOM 6279 O3 BGLC 7 15.641 0.584 -10.551 1.00 0.00 HET +ATOM 6280 HO3 BGLC 7 16.292 0.643 -11.262 1.00 0.00 HET +ATOM 6281 C4 BGLC 7 16.852 -0.899 -9.099 1.00 0.00 HET +ATOM 6282 H4 BGLC 7 16.918 -0.021 -8.413 1.00 0.00 HET +ATOM 6283 O4 BGLC 7 18.036 -1.018 -9.897 1.00 0.00 HET +ATOM 6284 C6 BGLC 7 17.893 -2.248 -7.238 1.00 0.00 HET +ATOM 6285 H61 BGLC 7 17.795 -1.400 -6.522 1.00 0.00 HET +ATOM 6286 H62 BGLC 7 18.867 -2.145 -7.769 1.00 0.00 HET +ATOM 6287 O6 BGLC 7 17.911 -3.473 -6.490 1.00 0.00 HET +ATOM 6288 HO6 BGLC 7 18.114 -4.209 -7.084 1.00 0.00 HET +ATOM 6289 C1 BGLC 8 18.905 0.089 -9.875 1.00 0.00 HET +ATOM 6290 H1 BGLC 8 19.091 0.413 -8.825 1.00 0.00 HET +ATOM 6291 C5 BGLC 8 19.214 2.320 -10.609 1.00 0.00 HET +ATOM 6292 H5 BGLC 8 19.419 2.553 -9.538 1.00 0.00 HET +ATOM 6293 O5 BGLC 8 18.379 1.155 -10.673 1.00 0.00 HET +ATOM 6294 C2 BGLC 8 20.205 -0.353 -10.525 1.00 0.00 HET +ATOM 6295 H2 BGLC 8 19.950 -0.709 -11.553 1.00 0.00 HET +ATOM 6296 O2 BGLC 8 20.795 -1.448 -9.812 1.00 0.00 HET +ATOM 6297 HO2 BGLC 8 21.376 -1.931 -10.416 1.00 0.00 HET +ATOM 6298 C3 BGLC 8 21.182 0.805 -10.664 1.00 0.00 HET +ATOM 6299 H3 BGLC 8 21.504 1.099 -9.636 1.00 0.00 HET +ATOM 6300 O3 BGLC 8 22.350 0.416 -11.389 1.00 0.00 HET +ATOM 6301 HO3 BGLC 8 22.991 1.137 -11.322 1.00 0.00 HET +ATOM 6302 C4 BGLC 8 20.525 2.011 -11.308 1.00 0.00 HET +ATOM 6303 H4 BGLC 8 20.311 1.760 -12.376 1.00 0.00 HET +ATOM 6304 O4 BGLC 8 21.380 3.149 -11.272 1.00 0.00 HET +ATOM 6305 HO4 BGLC 8 21.138 3.747 -11.993 1.00 0.00 HET +ATOM 6306 C6 BGLC 8 18.470 3.511 -11.179 1.00 0.00 HET +ATOM 6307 H61 BGLC 8 19.012 4.444 -10.896 1.00 0.00 HET +ATOM 6308 H62 BGLC 8 17.454 3.573 -10.729 1.00 0.00 HET +ATOM 6309 O6 BGLC 8 18.378 3.468 -12.607 1.00 0.00 HET +ATOM 6310 HO6 BGLC 8 17.735 2.794 -12.895 1.00 0.00 HET +ATOM 6311 OH2 TIP3 1 -31.585 -33.719 -36.287 1.00 0.00 WAT +ATOM 6312 H1 TIP3 1 -31.615 -32.747 -36.203 1.00 0.00 WAT +ATOM 6313 H2 TIP3 1 -32.365 -33.868 -36.836 1.00 0.00 WAT +ATOM 6314 OH2 TIP3 2 -32.762 -34.228 -33.205 1.00 0.00 WAT +ATOM 6315 H1 TIP3 2 -32.764 -34.771 -32.399 1.00 0.00 WAT +ATOM 6316 H2 TIP3 2 -33.032 -34.872 -33.874 1.00 0.00 WAT +ATOM 6317 OH2 TIP3 3 -40.277 -34.631 -31.562 1.00 0.00 WAT +ATOM 6318 H1 TIP3 3 -40.327 -35.368 -30.925 1.00 0.00 WAT +ATOM 6319 H2 TIP3 3 -39.590 -34.083 -31.158 1.00 0.00 WAT +ATOM 6320 OH2 TIP3 4 -29.281 -31.664 -34.525 1.00 0.00 WAT +ATOM 6321 H1 TIP3 4 -29.541 -32.334 -33.871 1.00 0.00 WAT +ATOM 6322 H2 TIP3 4 -28.393 -31.414 -34.243 1.00 0.00 WAT +ATOM 6323 OH2 TIP3 5 -39.590 -30.011 -33.075 1.00 0.00 WAT +ATOM 6324 H1 TIP3 5 -39.880 -30.910 -33.315 1.00 0.00 WAT +ATOM 6325 H2 TIP3 5 -38.667 -30.171 -32.832 1.00 0.00 WAT +ATOM 6326 OH2 TIP3 6 -42.133 -36.145 -38.719 1.00 0.00 WAT +ATOM 6327 H1 TIP3 6 -42.314 -35.329 -38.229 1.00 0.00 WAT +ATOM 6328 H2 TIP3 6 -43.028 -36.406 -38.969 1.00 0.00 WAT +ATOM 6329 OH2 TIP3 7 -42.056 -34.290 -36.043 1.00 0.00 WAT +ATOM 6330 H1 TIP3 7 -41.879 -34.885 -35.295 1.00 0.00 WAT +ATOM 6331 H2 TIP3 7 -41.212 -33.838 -36.153 1.00 0.00 WAT +ATOM 6332 OH2 TIP3 8 -31.982 -27.379 -33.750 1.00 0.00 WAT +ATOM 6333 H1 TIP3 8 -32.200 -26.865 -34.194 1.00 0.00 WAT +ATOM 6334 H2 TIP3 8 -32.869 -27.566 -33.287 1.00 0.00 WAT +ATOM 6335 OH2 TIP3 9 -34.253 -31.706 -32.656 1.00 0.00 WAT +ATOM 6336 H1 TIP3 9 -33.923 -32.445 -33.194 1.00 0.00 WAT +ATOM 6337 H2 TIP3 9 -33.453 -31.555 -32.113 1.00 0.00 WAT +ATOM 6338 OH2 TIP3 10 -25.716 -40.157 -32.075 1.00 0.00 WAT +ATOM 6339 H1 TIP3 10 -25.371 -39.737 -31.269 1.00 0.00 WAT +ATOM 6340 H2 TIP3 10 -25.046 -39.870 -32.722 1.00 0.00 WAT +ATOM 6341 OH2 TIP3 11 -30.980 -37.399 -32.120 1.00 0.00 WAT +ATOM 6342 H1 TIP3 11 -30.776 -38.350 -32.094 1.00 0.00 WAT +ATOM 6343 H2 TIP3 11 -31.064 -37.251 -33.075 1.00 0.00 WAT +ATOM 6344 OH2 TIP3 12 -38.025 -39.413 -35.019 1.00 0.00 WAT +ATOM 6345 H1 TIP3 12 -37.837 -38.567 -35.473 1.00 0.00 WAT +ATOM 6346 H2 TIP3 12 -38.332 -39.951 -35.773 1.00 0.00 WAT +ATOM 6347 OH2 TIP3 13 -30.129 -39.228 -36.710 1.00 0.00 WAT +ATOM 6348 H1 TIP3 13 -29.534 -39.664 -36.066 1.00 0.00 WAT +ATOM 6349 H2 TIP3 13 -29.488 -38.782 -37.282 1.00 0.00 WAT +ATOM 6350 OH2 TIP3 14 -41.386 -36.627 -34.514 1.00 0.00 WAT +ATOM 6351 H1 TIP3 14 -40.803 -37.052 -33.861 1.00 0.00 WAT +ATOM 6352 H2 TIP3 14 -41.202 -37.167 -35.301 1.00 0.00 WAT +ATOM 6353 OH2 TIP3 15 -35.925 -35.257 -35.085 1.00 0.00 WAT +ATOM 6354 H1 TIP3 15 -35.214 -35.801 -34.693 1.00 0.00 WAT +ATOM 6355 H2 TIP3 15 -36.429 -35.933 -35.574 1.00 0.00 WAT +ATOM 6356 OH2 TIP3 16 -24.775 -38.484 -29.435 1.00 0.00 WAT +ATOM 6357 H1 TIP3 16 -25.542 -37.975 -29.745 1.00 0.00 WAT +ATOM 6358 H2 TIP3 16 -25.122 -38.885 -28.630 1.00 0.00 WAT +ATOM 6359 OH2 TIP3 17 -39.174 -40.517 -30.825 1.00 0.00 WAT +ATOM 6360 H1 TIP3 17 -39.573 -40.078 -31.592 1.00 0.00 WAT +ATOM 6361 H2 TIP3 17 -39.865 -40.348 -30.154 1.00 0.00 WAT +ATOM 6362 OH2 TIP3 18 -31.868 -31.112 -37.449 1.00 0.00 WAT +ATOM 6363 H1 TIP3 18 -31.978 -31.215 -38.402 1.00 0.00 WAT +ATOM 6364 H2 TIP3 18 -32.203 -30.223 -37.292 1.00 0.00 WAT +ATOM 6365 OH2 TIP3 19 -36.264 -32.700 -30.779 1.00 0.00 WAT +ATOM 6366 H1 TIP3 19 -36.985 -32.098 -30.498 1.00 0.00 WAT +ATOM 6367 H2 TIP3 19 -35.627 -32.084 -31.185 1.00 0.00 WAT +ATOM 6368 OH2 TIP3 20 -28.247 -40.121 -34.675 1.00 0.00 WAT +ATOM 6369 H1 TIP3 20 -28.710 -40.608 -33.982 1.00 0.00 WAT +ATOM 6370 H2 TIP3 20 -27.714 -39.502 -34.148 1.00 0.00 WAT +ATOM 6371 OH2 TIP3 21 -39.585 -38.509 -32.949 1.00 0.00 WAT +ATOM 6372 H1 TIP3 21 -38.937 -37.929 -32.498 1.00 0.00 WAT +ATOM 6373 H2 TIP3 21 -39.021 -38.879 -33.664 1.00 0.00 WAT +ATOM 6374 OH2 TIP3 22 -38.283 -30.836 -30.053 1.00 0.00 WAT +ATOM 6375 H1 TIP3 22 -38.294 -29.903 -30.340 1.00 0.00 WAT +ATOM 6376 H2 TIP3 22 -39.160 -30.889 -29.628 1.00 0.00 WAT +ATOM 6377 OH2 TIP3 23 -41.826 -31.196 -39.166 1.00 0.00 WAT +ATOM 6378 H1 TIP3 23 -42.606 -30.999 -39.730 1.00 0.00 WAT +ATOM 6379 H2 TIP3 23 -41.956 -30.584 -38.425 1.00 0.00 WAT +ATOM 6380 OH2 TIP3 24 -28.435 -29.598 -32.132 1.00 0.00 WAT +ATOM 6381 H1 TIP3 24 -29.380 -29.695 -32.358 1.00 0.00 WAT +ATOM 6382 H2 TIP3 24 -28.206 -28.852 -32.706 1.00 0.00 WAT +ATOM 6383 OH2 TIP3 25 -28.083 -41.099 -30.657 1.00 0.00 WAT +ATOM 6384 H1 TIP3 25 -28.885 -40.772 -31.096 1.00 0.00 WAT +ATOM 6385 H2 TIP3 25 -27.416 -40.968 -31.356 1.00 0.00 WAT +ATOM 6386 OH2 TIP3 26 -34.967 43.818 -33.589 1.00 0.00 WAT +ATOM 6387 H1 TIP3 26 -35.004 42.855 -33.551 1.00 0.00 WAT +ATOM 6388 H2 TIP3 26 -35.866 44.106 -33.338 1.00 0.00 WAT +ATOM 6389 OH2 TIP3 27 -30.096 -26.828 -36.101 1.00 0.00 WAT +ATOM 6390 H1 TIP3 27 -30.683 -27.493 -36.421 1.00 0.00 WAT +ATOM 6391 H2 TIP3 27 -29.422 -26.738 -36.820 1.00 0.00 WAT +ATOM 6392 OH2 TIP3 28 -28.384 -30.716 -36.882 1.00 0.00 WAT +ATOM 6393 H1 TIP3 28 -29.222 -30.509 -36.992 1.00 0.00 WAT +ATOM 6394 H2 TIP3 28 -28.349 -31.521 -36.469 1.00 0.00 WAT +ATOM 6395 OH2 TIP3 29 -27.218 -31.045 -28.713 1.00 0.00 WAT +ATOM 6396 H1 TIP3 29 -27.323 -31.691 -29.434 1.00 0.00 WAT +ATOM 6397 H2 TIP3 29 -27.103 -30.211 -29.206 1.00 0.00 WAT +ATOM 6398 OH2 TIP3 30 -32.923 -34.185 -39.060 1.00 0.00 WAT +ATOM 6399 H1 TIP3 30 -33.585 -33.564 -39.415 1.00 0.00 WAT +ATOM 6400 H2 TIP3 30 -32.194 -34.094 -39.693 1.00 0.00 WAT +ATOM 6401 OH2 TIP3 31 -32.750 -35.941 -42.043 1.00 0.00 WAT +ATOM 6402 H1 TIP3 31 -32.069 -35.621 -41.426 1.00 0.00 WAT +ATOM 6403 H2 TIP3 31 -32.206 -36.547 -42.594 1.00 0.00 WAT +ATOM 6404 OH2 TIP3 32 -25.464 -34.884 -30.768 1.00 0.00 WAT +ATOM 6405 H1 TIP3 32 -26.183 -34.227 -30.683 1.00 0.00 WAT +ATOM 6406 H2 TIP3 32 -24.984 -34.538 -31.545 1.00 0.00 WAT +ATOM 6407 OH2 TIP3 33 -29.548 -34.624 -37.972 1.00 0.00 WAT +ATOM 6408 H1 TIP3 33 -30.193 -34.307 -37.304 1.00 0.00 WAT +ATOM 6409 H2 TIP3 33 -28.830 -34.967 -37.407 1.00 0.00 WAT +ATOM 6410 OH2 TIP3 34 -29.606 -35.622 -29.106 1.00 0.00 WAT +ATOM 6411 H1 TIP3 34 -29.542 -34.821 -28.559 1.00 0.00 WAT +ATOM 6412 H2 TIP3 34 -30.236 -35.297 -29.772 1.00 0.00 WAT +ATOM 6413 OH2 TIP3 35 -37.800 -33.353 -36.181 1.00 0.00 WAT +ATOM 6414 H1 TIP3 35 -38.152 -33.803 -36.972 1.00 0.00 WAT +ATOM 6415 H2 TIP3 35 -37.185 -34.021 -35.826 1.00 0.00 WAT +ATOM 6416 OH2 TIP3 36 -36.437 -29.972 -33.448 1.00 0.00 WAT +ATOM 6417 H1 TIP3 36 -36.575 -30.423 -34.285 1.00 0.00 WAT +ATOM 6418 H2 TIP3 36 -35.663 -30.448 -33.082 1.00 0.00 WAT +ATOM 6419 OH2 TIP3 37 -37.282 -34.532 -32.689 1.00 0.00 WAT +ATOM 6420 H1 TIP3 37 -36.680 -34.525 -33.457 1.00 0.00 WAT +ATOM 6421 H2 TIP3 37 -36.864 -33.894 -32.079 1.00 0.00 WAT +ATOM 6422 OH2 TIP3 38 -31.293 -29.219 -31.966 1.00 0.00 WAT +ATOM 6423 H1 TIP3 38 -31.230 -28.466 -31.341 1.00 0.00 WAT +ATOM 6424 H2 TIP3 38 -31.524 -30.011 -31.506 1.00 0.00 WAT +ATOM 6425 OH2 TIP3 39 -36.423 -30.254 -27.839 1.00 0.00 WAT +ATOM 6426 H1 TIP3 39 -36.926 -29.585 -27.340 1.00 0.00 WAT +ATOM 6427 H2 TIP3 39 -37.070 -30.502 -28.526 1.00 0.00 WAT +ATOM 6428 OH2 TIP3 40 -30.399 -34.656 -40.622 1.00 0.00 WAT +ATOM 6429 H1 TIP3 40 -29.981 -34.528 -39.741 1.00 0.00 WAT +ATOM 6430 H2 TIP3 40 -29.721 -34.252 -41.204 1.00 0.00 WAT +ATOM 6431 OH2 TIP3 41 -39.561 -33.900 -28.676 1.00 0.00 WAT +ATOM 6432 H1 TIP3 41 -39.472 -33.287 -27.924 1.00 0.00 WAT +ATOM 6433 H2 TIP3 41 -40.530 -33.928 -28.782 1.00 0.00 WAT +ATOM 6434 OH2 TIP3 42 -32.896 -27.759 -36.926 1.00 0.00 WAT +ATOM 6435 H1 TIP3 42 -32.847 -28.057 -36.015 1.00 0.00 WAT +ATOM 6436 H2 TIP3 42 -33.769 -27.345 -36.992 1.00 0.00 WAT +ATOM 6437 OH2 TIP3 43 -38.353 -28.105 -27.003 1.00 0.00 WAT +ATOM 6438 H1 TIP3 43 -38.439 -28.043 -27.970 1.00 0.00 WAT +ATOM 6439 H2 TIP3 43 -39.270 -28.259 -26.712 1.00 0.00 WAT +ATOM 6440 OH2 TIP3 44 -27.166 -43.358 -41.277 1.00 0.00 WAT +ATOM 6441 H1 TIP3 44 -27.628 -43.320 -40.427 1.00 0.00 WAT +ATOM 6442 H2 TIP3 44 -26.507 -42.664 -41.137 1.00 0.00 WAT +ATOM 6443 OH2 TIP3 45 -38.926 -34.642 -38.664 1.00 0.00 WAT +ATOM 6444 H1 TIP3 45 -39.194 -33.871 -39.192 1.00 0.00 WAT +ATOM 6445 H2 TIP3 45 -39.632 -35.274 -38.868 1.00 0.00 WAT +ATOM 6446 OH2 TIP3 46 -25.339 -29.008 -43.102 1.00 0.00 WAT +ATOM 6447 H1 TIP3 46 -25.076 -28.112 -42.872 1.00 0.00 WAT +ATOM 6448 H2 TIP3 46 -24.893 -29.533 -42.410 1.00 0.00 WAT +ATOM 6449 OH2 TIP3 47 -42.660 -31.812 -30.103 1.00 0.00 WAT +ATOM 6450 H1 TIP3 47 -42.881 -32.145 -30.988 1.00 0.00 WAT +ATOM 6451 H2 TIP3 47 -43.072 -32.488 -29.536 1.00 0.00 WAT +ATOM 6452 OH2 TIP3 48 -42.811 -29.017 -33.133 1.00 0.00 WAT +ATOM 6453 H1 TIP3 48 -41.961 -29.423 -32.926 1.00 0.00 WAT +ATOM 6454 H2 TIP3 48 -43.008 -28.525 -32.328 1.00 0.00 WAT +ATOM 6455 OH2 TIP3 49 -24.425 -28.424 -27.200 1.00 0.00 WAT +ATOM 6456 H1 TIP3 49 -24.541 -29.376 -27.366 1.00 0.00 WAT +ATOM 6457 H2 TIP3 49 -25.331 -28.178 -26.907 1.00 0.00 WAT +ATOM 6458 OH2 TIP3 50 -33.784 -29.186 -28.405 1.00 0.00 WAT +ATOM 6459 H1 TIP3 50 -33.694 -28.373 -27.864 1.00 0.00 WAT +ATOM 6460 H2 TIP3 50 -34.679 -29.489 -28.159 1.00 0.00 WAT +ATOM 6461 OH2 TIP3 51 -39.725 -26.278 -36.791 1.00 0.00 WAT +ATOM 6462 H1 TIP3 51 -39.538 -26.670 -35.911 1.00 0.00 WAT +ATOM 6463 H2 TIP3 51 -40.526 -26.782 -37.018 1.00 0.00 WAT +ATOM 6464 OH2 TIP3 52 -29.630 -28.569 -38.929 1.00 0.00 WAT +ATOM 6465 H1 TIP3 52 -29.498 -29.329 -39.514 1.00 0.00 WAT +ATOM 6466 H2 TIP3 52 -28.897 -28.708 -38.325 1.00 0.00 WAT +ATOM 6467 OH2 TIP3 53 -32.157 -24.765 -37.673 1.00 0.00 WAT +ATOM 6468 H1 TIP3 53 -32.552 -25.474 -38.119 1.00 0.00 WAT +ATOM 6469 H2 TIP3 53 -31.271 -25.166 -37.430 1.00 0.00 WAT +ATOM 6470 OH2 TIP3 54 -27.632 -37.086 -26.799 1.00 0.00 WAT +ATOM 6471 H1 TIP3 54 -28.136 -36.689 -27.522 1.00 0.00 WAT +ATOM 6472 H2 TIP3 54 -27.557 -38.013 -27.093 1.00 0.00 WAT +ATOM 6473 OH2 TIP3 55 -40.704 -30.414 -28.638 1.00 0.00 WAT +ATOM 6474 H1 TIP3 55 -40.421 -30.972 -27.891 1.00 0.00 WAT +ATOM 6475 H2 TIP3 55 -41.466 -30.905 -29.016 1.00 0.00 WAT +ATOM 6476 OH2 TIP3 56 -37.522 -42.217 -32.729 1.00 0.00 WAT +ATOM 6477 H1 TIP3 56 -38.379 -42.303 -33.171 1.00 0.00 WAT +ATOM 6478 H2 TIP3 56 -37.636 -41.354 -32.304 1.00 0.00 WAT +ATOM 6479 OH2 TIP3 57 -32.911 -42.614 -29.167 1.00 0.00 WAT +ATOM 6480 H1 TIP3 57 -32.698 -43.098 -28.363 1.00 0.00 WAT +ATOM 6481 H2 TIP3 57 -33.859 -42.775 -29.247 1.00 0.00 WAT +ATOM 6482 OH2 TIP3 58 -29.949 -38.633 -28.759 1.00 0.00 WAT +ATOM 6483 H1 TIP3 58 -30.511 -38.749 -27.971 1.00 0.00 WAT +ATOM 6484 H2 TIP3 58 -29.985 -37.674 -28.917 1.00 0.00 WAT +ATOM 6485 OH2 TIP3 59 -28.288 -33.830 -42.476 1.00 0.00 WAT +ATOM 6486 H1 TIP3 59 -28.463 -34.109 -43.382 1.00 0.00 WAT +ATOM 6487 H2 TIP3 59 -27.788 -33.013 -42.622 1.00 0.00 WAT +ATOM 6488 OH2 TIP3 60 -33.287 -39.972 -42.133 1.00 0.00 WAT +ATOM 6489 H1 TIP3 60 -33.843 -39.958 -41.331 1.00 0.00 WAT +ATOM 6490 H2 TIP3 60 -33.776 -40.616 -42.659 1.00 0.00 WAT +ATOM 6491 OH2 TIP3 61 -37.618 -37.146 -31.483 1.00 0.00 WAT +ATOM 6492 H1 TIP3 61 -38.204 -37.031 -30.716 1.00 0.00 WAT +ATOM 6493 H2 TIP3 61 -37.552 -36.235 -31.836 1.00 0.00 WAT +ATOM 6494 OH2 TIP3 62 -37.694 -37.092 -36.591 1.00 0.00 WAT +ATOM 6495 H1 TIP3 62 -38.649 -37.163 -36.770 1.00 0.00 WAT +ATOM 6496 H2 TIP3 62 -37.333 -37.269 -37.483 1.00 0.00 WAT +ATOM 6497 OH2 TIP3 63 -32.073 -36.571 -37.868 1.00 0.00 WAT +ATOM 6498 H1 TIP3 63 -32.452 -35.726 -38.189 1.00 0.00 WAT +ATOM 6499 H2 TIP3 63 -31.349 -36.701 -38.502 1.00 0.00 WAT +ATOM 6500 OH2 TIP3 64 -32.871 -36.323 -26.497 1.00 0.00 WAT +ATOM 6501 H1 TIP3 64 -33.377 -37.064 -26.110 1.00 0.00 WAT +ATOM 6502 H2 TIP3 64 -32.002 -36.425 -26.061 1.00 0.00 WAT +ATOM 6503 OH2 TIP3 65 -31.204 -37.117 -35.053 1.00 0.00 WAT +ATOM 6504 H1 TIP3 65 -31.493 -36.545 -35.789 1.00 0.00 WAT +ATOM 6505 H2 TIP3 65 -31.004 -37.934 -35.553 1.00 0.00 WAT +ATOM 6506 OH2 TIP3 66 -40.260 -36.973 -29.650 1.00 0.00 WAT +ATOM 6507 H1 TIP3 66 -39.953 -36.621 -28.807 1.00 0.00 WAT +ATOM 6508 H2 TIP3 66 -40.522 -37.881 -29.405 1.00 0.00 WAT +ATOM 6509 OH2 TIP3 67 -36.526 -39.612 -43.148 1.00 0.00 WAT +ATOM 6510 H1 TIP3 67 -36.850 -39.866 -42.267 1.00 0.00 WAT +ATOM 6511 H2 TIP3 67 -37.275 -39.075 -43.477 1.00 0.00 WAT +ATOM 6512 OH2 TIP3 68 -43.215 -39.423 -36.012 1.00 0.00 WAT +ATOM 6513 H1 TIP3 68 -43.031 -39.705 -35.095 1.00 0.00 WAT +ATOM 6514 H2 TIP3 68 -42.866 -40.152 -36.533 1.00 0.00 WAT +ATOM 6515 OH2 TIP3 69 -42.064 -38.936 -40.205 1.00 0.00 WAT +ATOM 6516 H1 TIP3 69 -41.474 -38.679 -40.930 1.00 0.00 WAT +ATOM 6517 H2 TIP3 69 -42.889 -38.506 -40.449 1.00 0.00 WAT +ATOM 6518 OH2 TIP3 70 -32.147 -35.438 -30.602 1.00 0.00 WAT +ATOM 6519 H1 TIP3 70 -31.685 -36.161 -31.086 1.00 0.00 WAT +ATOM 6520 H2 TIP3 70 -32.425 -35.893 -29.796 1.00 0.00 WAT +ATOM 6521 OH2 TIP3 71 -34.900 -39.405 -35.597 1.00 0.00 WAT +ATOM 6522 H1 TIP3 71 -35.828 -39.605 -35.392 1.00 0.00 WAT +ATOM 6523 H2 TIP3 71 -34.452 -39.726 -34.796 1.00 0.00 WAT +ATOM 6524 OH2 TIP3 72 -40.398 -38.225 -36.952 1.00 0.00 WAT +ATOM 6525 H1 TIP3 72 -41.146 -38.084 -37.548 1.00 0.00 WAT +ATOM 6526 H2 TIP3 72 -40.025 -39.060 -37.296 1.00 0.00 WAT +ATOM 6527 OH2 TIP3 73 -36.745 -37.861 -39.213 1.00 0.00 WAT +ATOM 6528 H1 TIP3 73 -35.772 -37.844 -39.165 1.00 0.00 WAT +ATOM 6529 H2 TIP3 73 -36.954 -37.274 -39.958 1.00 0.00 WAT +ATOM 6530 OH2 TIP3 74 -30.565 -40.319 -32.559 1.00 0.00 WAT +ATOM 6531 H1 TIP3 74 -31.194 -40.348 -31.808 1.00 0.00 WAT +ATOM 6532 H2 TIP3 74 -31.144 -40.634 -33.273 1.00 0.00 WAT +ATOM 6533 OH2 TIP3 75 -38.138 -36.717 -41.601 1.00 0.00 WAT +ATOM 6534 H1 TIP3 75 -38.754 -37.224 -42.157 1.00 0.00 WAT +ATOM 6535 H2 TIP3 75 -37.383 -36.569 -42.186 1.00 0.00 WAT +ATOM 6536 OH2 TIP3 76 -27.514 -24.565 -25.904 1.00 0.00 WAT +ATOM 6537 H1 TIP3 76 -27.252 -24.115 -26.723 1.00 0.00 WAT +ATOM 6538 H2 TIP3 76 -26.847 -24.237 -25.276 1.00 0.00 WAT +ATOM 6539 OH2 TIP3 77 -39.532 -31.969 -26.470 1.00 0.00 WAT +ATOM 6540 H1 TIP3 77 -38.898 -31.922 -25.722 1.00 0.00 WAT +ATOM 6541 H2 TIP3 77 -40.370 -31.842 -25.975 1.00 0.00 WAT +ATOM 6542 OH2 TIP3 78 -33.884 -36.934 -33.745 1.00 0.00 WAT +ATOM 6543 H1 TIP3 78 -33.167 -37.379 -34.220 1.00 0.00 WAT +ATOM 6544 H2 TIP3 78 -34.050 -37.556 -33.010 1.00 0.00 WAT +ATOM 6545 OH2 TIP3 79 -38.773 -40.596 -37.536 1.00 0.00 WAT +ATOM 6546 H1 TIP3 79 -39.209 -41.456 -37.424 1.00 0.00 WAT +ATOM 6547 H2 TIP3 79 -37.913 -40.853 -37.901 1.00 0.00 WAT +ATOM 6548 OH2 TIP3 80 -34.926 -38.494 -31.488 1.00 0.00 WAT +ATOM 6549 H1 TIP3 80 -35.677 -37.878 -31.486 1.00 0.00 WAT +ATOM 6550 H2 TIP3 80 -34.422 -38.229 -30.692 1.00 0.00 WAT +ATOM 6551 OH2 TIP3 81 -34.775 -32.077 -39.607 1.00 0.00 WAT +ATOM 6552 H1 TIP3 81 -35.534 -32.598 -39.941 1.00 0.00 WAT +ATOM 6553 H2 TIP3 81 -34.946 -32.051 -38.637 1.00 0.00 WAT +ATOM 6554 OH2 TIP3 82 -27.544 -32.941 -30.866 1.00 0.00 WAT +ATOM 6555 H1 TIP3 82 -27.062 -32.385 -31.516 1.00 0.00 WAT +ATOM 6556 H2 TIP3 82 -28.411 -33.052 -31.302 1.00 0.00 WAT +ATOM 6557 OH2 TIP3 83 -30.606 -39.309 -41.893 1.00 0.00 WAT +ATOM 6558 H1 TIP3 83 -31.586 -39.358 -41.863 1.00 0.00 WAT +ATOM 6559 H2 TIP3 83 -30.389 -38.588 -41.266 1.00 0.00 WAT +ATOM 6560 OH2 TIP3 84 -33.165 -32.096 -28.291 1.00 0.00 WAT +ATOM 6561 H1 TIP3 84 -33.411 -32.403 -27.409 1.00 0.00 WAT +ATOM 6562 H2 TIP3 84 -33.438 -31.165 -28.275 1.00 0.00 WAT +ATOM 6563 OH2 TIP3 85 -29.997 -37.503 -39.900 1.00 0.00 WAT +ATOM 6564 H1 TIP3 85 -29.151 -37.649 -39.429 1.00 0.00 WAT +ATOM 6565 H2 TIP3 85 -29.863 -36.616 -40.279 1.00 0.00 WAT +ATOM 6566 OH2 TIP3 86 -39.779 -32.799 -33.913 1.00 0.00 WAT +ATOM 6567 H1 TIP3 86 -39.085 -32.865 -34.591 1.00 0.00 WAT +ATOM 6568 H2 TIP3 86 -39.616 -33.596 -33.380 1.00 0.00 WAT +ATOM 6569 OH2 TIP3 87 -32.343 -30.721 -40.644 1.00 0.00 WAT +ATOM 6570 H1 TIP3 87 -32.656 -29.865 -40.296 1.00 0.00 WAT +ATOM 6571 H2 TIP3 87 -33.089 -31.301 -40.407 1.00 0.00 WAT +ATOM 6572 OH2 TIP3 88 -42.385 -34.259 -28.231 1.00 0.00 WAT +ATOM 6573 H1 TIP3 88 -42.305 -34.920 -27.523 1.00 0.00 WAT +ATOM 6574 H2 TIP3 88 -42.864 -34.762 -28.928 1.00 0.00 WAT +ATOM 6575 OH2 TIP3 89 -35.408 -34.938 -26.531 1.00 0.00 WAT +ATOM 6576 H1 TIP3 89 -35.737 -35.178 -27.414 1.00 0.00 WAT +ATOM 6577 H2 TIP3 89 -34.472 -35.198 -26.613 1.00 0.00 WAT +ATOM 6578 OH2 TIP3 90 -30.884 -29.497 -28.814 1.00 0.00 WAT +ATOM 6579 H1 TIP3 90 -31.852 -29.402 -28.860 1.00 0.00 WAT +ATOM 6580 H2 TIP3 90 -30.700 -29.238 -27.899 1.00 0.00 WAT +ATOM 6581 OH2 TIP3 91 -25.296 -37.363 -40.005 1.00 0.00 WAT +ATOM 6582 H1 TIP3 91 -25.937 -37.557 -40.712 1.00 0.00 WAT +ATOM 6583 H2 TIP3 91 -25.176 -36.410 -40.176 1.00 0.00 WAT +ATOM 6584 OH2 TIP3 92 -24.893 -31.405 -27.241 1.00 0.00 WAT +ATOM 6585 H1 TIP3 92 -25.831 -31.184 -27.425 1.00 0.00 WAT +ATOM 6586 H2 TIP3 92 -24.565 -31.580 -28.144 1.00 0.00 WAT +ATOM 6587 OH2 TIP3 93 -27.247 -28.699 -40.536 1.00 0.00 WAT +ATOM 6588 H1 TIP3 93 -28.101 -28.453 -40.908 1.00 0.00 WAT +ATOM 6589 H2 TIP3 93 -26.632 -28.130 -41.000 1.00 0.00 WAT +ATOM 6590 OH2 TIP3 94 -29.925 -33.588 -32.492 1.00 0.00 WAT +ATOM 6591 H1 TIP3 94 -30.861 -33.721 -32.748 1.00 0.00 WAT +ATOM 6592 H2 TIP3 94 -29.497 -34.316 -32.986 1.00 0.00 WAT +ATOM 6593 OH2 TIP3 95 -37.259 -29.416 -36.634 1.00 0.00 WAT +ATOM 6594 H1 TIP3 95 -36.876 -28.538 -36.558 1.00 0.00 WAT +ATOM 6595 H2 TIP3 95 -38.206 -29.224 -36.718 1.00 0.00 WAT +ATOM 6596 OH2 TIP3 96 -41.487 -34.628 -41.675 1.00 0.00 WAT +ATOM 6597 H1 TIP3 96 -40.781 -34.001 -41.427 1.00 0.00 WAT +ATOM 6598 H2 TIP3 96 -42.219 -34.014 -41.834 1.00 0.00 WAT +ATOM 6599 OH2 TIP3 97 -35.442 -31.702 -36.895 1.00 0.00 WAT +ATOM 6600 H1 TIP3 97 -35.814 -30.817 -36.756 1.00 0.00 WAT +ATOM 6601 H2 TIP3 97 -36.128 -32.256 -36.485 1.00 0.00 WAT +ATOM 6602 OH2 TIP3 98 -35.281 -27.541 -30.555 1.00 0.00 WAT +ATOM 6603 H1 TIP3 98 -34.804 -26.733 -30.778 1.00 0.00 WAT +ATOM 6604 H2 TIP3 98 -34.658 -27.980 -29.952 1.00 0.00 WAT +ATOM 6605 OH2 TIP3 99 -36.706 -26.173 -37.371 1.00 0.00 WAT +ATOM 6606 H1 TIP3 99 -37.649 -26.363 -37.236 1.00 0.00 WAT +ATOM 6607 H2 TIP3 99 -36.523 -25.616 -36.597 1.00 0.00 WAT +ATOM 6608 OH2 TIP3 100 -31.870 -31.739 -30.990 1.00 0.00 WAT +ATOM 6609 H1 TIP3 100 -32.134 -31.998 -30.090 1.00 0.00 WAT +ATOM 6610 H2 TIP3 100 -31.121 -32.330 -31.162 1.00 0.00 WAT +ATOM 6611 OH2 TIP3 101 -30.069 -30.644 -42.352 1.00 0.00 WAT +ATOM 6612 H1 TIP3 101 -29.980 -31.598 -42.465 1.00 0.00 WAT +ATOM 6613 H2 TIP3 101 -30.554 -30.599 -41.510 1.00 0.00 WAT +ATOM 6614 OH2 TIP3 102 -28.919 -27.152 -28.578 1.00 0.00 WAT +ATOM 6615 H1 TIP3 102 -29.668 -27.612 -29.005 1.00 0.00 WAT +ATOM 6616 H2 TIP3 102 -28.825 -26.361 -29.135 1.00 0.00 WAT +ATOM 6617 OH2 TIP3 103 -24.854 -26.017 -41.517 1.00 0.00 WAT +ATOM 6618 H1 TIP3 103 -24.104 -25.386 -41.482 1.00 0.00 WAT +ATOM 6619 H2 TIP3 103 -25.606 -25.401 -41.400 1.00 0.00 WAT +ATOM 6620 OH2 TIP3 104 -41.059 -39.573 -28.892 1.00 0.00 WAT +ATOM 6621 H1 TIP3 104 -41.956 -39.240 -29.063 1.00 0.00 WAT +ATOM 6622 H2 TIP3 104 -41.236 -40.453 -28.487 1.00 0.00 WAT +ATOM 6623 OH2 TIP3 105 -28.807 -31.836 -39.721 1.00 0.00 WAT +ATOM 6624 H1 TIP3 105 -28.871 -32.528 -39.055 1.00 0.00 WAT +ATOM 6625 H2 TIP3 105 -27.851 -31.657 -39.722 1.00 0.00 WAT +ATOM 6626 OH2 TIP3 106 -41.276 -28.004 -30.461 1.00 0.00 WAT +ATOM 6627 H1 TIP3 106 -41.081 -28.942 -30.332 1.00 0.00 WAT +ATOM 6628 H2 TIP3 106 -40.969 -27.644 -29.622 1.00 0.00 WAT +ATOM 6629 OH2 TIP3 107 -35.181 -29.350 -43.194 1.00 0.00 WAT +ATOM 6630 H1 TIP3 107 -34.786 -30.169 -43.538 1.00 0.00 WAT +ATOM 6631 H2 TIP3 107 -35.781 -29.708 -42.510 1.00 0.00 WAT +ATOM 6632 OH2 TIP3 108 -36.650 -29.841 -40.755 1.00 0.00 WAT +ATOM 6633 H1 TIP3 108 -36.159 -30.417 -40.148 1.00 0.00 WAT +ATOM 6634 H2 TIP3 108 -36.431 -28.948 -40.435 1.00 0.00 WAT +ATOM 6635 OH2 TIP3 109 -39.848 -32.473 -40.409 1.00 0.00 WAT +ATOM 6636 H1 TIP3 109 -40.583 -32.079 -39.877 1.00 0.00 WAT +ATOM 6637 H2 TIP3 109 -39.386 -31.657 -40.653 1.00 0.00 WAT +ATOM 6638 OH2 TIP3 110 -32.160 -40.073 -30.262 1.00 0.00 WAT +ATOM 6639 H1 TIP3 110 -31.520 -39.802 -29.587 1.00 0.00 WAT +ATOM 6640 H2 TIP3 110 -32.501 -40.919 -29.916 1.00 0.00 WAT +ATOM 6641 OH2 TIP3 111 -31.367 -40.495 -39.216 1.00 0.00 WAT +ATOM 6642 H1 TIP3 111 -31.178 -39.895 -39.953 1.00 0.00 WAT +ATOM 6643 H2 TIP3 111 -30.998 -40.006 -38.464 1.00 0.00 WAT +ATOM 6644 OH2 TIP3 112 -33.691 -28.210 -40.151 1.00 0.00 WAT +ATOM 6645 H1 TIP3 112 -34.551 -27.759 -40.101 1.00 0.00 WAT +ATOM 6646 H2 TIP3 112 -33.223 -27.681 -40.806 1.00 0.00 WAT +ATOM 6647 OH2 TIP3 113 -34.057 -38.513 -38.130 1.00 0.00 WAT +ATOM 6648 H1 TIP3 113 -33.300 -37.901 -38.008 1.00 0.00 WAT +ATOM 6649 H2 TIP3 113 -34.334 -38.670 -37.204 1.00 0.00 WAT +ATOM 6650 OH2 TIP3 114 -33.704 -37.616 -28.993 1.00 0.00 WAT +ATOM 6651 H1 TIP3 114 -33.606 -37.099 -28.174 1.00 0.00 WAT +ATOM 6652 H2 TIP3 114 -33.123 -38.368 -28.826 1.00 0.00 WAT +ATOM 6653 OH2 TIP3 115 -33.278 -41.713 -37.144 1.00 0.00 WAT +ATOM 6654 H1 TIP3 115 -33.610 -40.970 -36.614 1.00 0.00 WAT +ATOM 6655 H2 TIP3 115 -32.741 -41.256 -37.815 1.00 0.00 WAT +ATOM 6656 OH2 TIP3 116 -36.383 -27.054 -40.199 1.00 0.00 WAT +ATOM 6657 H1 TIP3 116 -36.532 -26.230 -40.686 1.00 0.00 WAT +ATOM 6658 H2 TIP3 116 -36.666 -26.798 -39.301 1.00 0.00 WAT +ATOM 6659 OH2 TIP3 117 -37.746 -40.439 -40.720 1.00 0.00 WAT +ATOM 6660 H1 TIP3 117 -37.775 -39.649 -40.154 1.00 0.00 WAT +ATOM 6661 H2 TIP3 117 -36.902 -40.833 -40.429 1.00 0.00 WAT +ATOM 6662 OH2 TIP3 118 -27.317 -39.619 -28.178 1.00 0.00 WAT +ATOM 6663 H1 TIP3 118 -28.283 -39.529 -28.278 1.00 0.00 WAT +ATOM 6664 H2 TIP3 118 -27.104 -39.889 -29.083 1.00 0.00 WAT +ATOM 6665 OH2 TIP3 119 -28.900 -35.737 -34.086 1.00 0.00 WAT +ATOM 6666 H1 TIP3 119 -29.713 -36.204 -34.355 1.00 0.00 WAT +ATOM 6667 H2 TIP3 119 -28.401 -36.444 -33.617 1.00 0.00 WAT +ATOM 6668 OH2 TIP3 120 -39.312 -29.504 -41.550 1.00 0.00 WAT +ATOM 6669 H1 TIP3 120 -38.452 -29.340 -41.126 1.00 0.00 WAT +ATOM 6670 H2 TIP3 120 -39.027 -29.998 -42.335 1.00 0.00 WAT +ATOM 6671 OH2 TIP3 121 -40.983 -37.295 -42.682 1.00 0.00 WAT +ATOM 6672 H1 TIP3 121 -41.034 -36.401 -42.291 1.00 0.00 WAT +ATOM 6673 H2 TIP3 121 -41.910 -37.505 -42.881 1.00 0.00 WAT +ATOM 6674 OH2 TIP3 122 -27.906 -26.823 -32.690 1.00 0.00 WAT +ATOM 6675 H1 TIP3 122 -27.979 -26.005 -33.216 1.00 0.00 WAT +ATOM 6676 H2 TIP3 122 -26.978 -26.793 -32.422 1.00 0.00 WAT +ATOM 6677 OH2 TIP3 123 -40.796 -42.358 -33.523 1.00 0.00 WAT +ATOM 6678 H1 TIP3 123 -40.621 -42.503 -34.465 1.00 0.00 WAT +ATOM 6679 H2 TIP3 123 -40.984 -43.265 -33.241 1.00 0.00 WAT +ATOM 6680 OH2 TIP3 124 -41.330 -28.747 -37.437 1.00 0.00 WAT +ATOM 6681 H1 TIP3 124 -42.269 -28.503 -37.360 1.00 0.00 WAT +ATOM 6682 H2 TIP3 124 -41.091 -28.411 -38.308 1.00 0.00 WAT +ATOM 6683 OH2 TIP3 125 -42.141 -26.046 -26.233 1.00 0.00 WAT +ATOM 6684 H1 TIP3 125 -41.508 -26.040 -25.491 1.00 0.00 WAT +ATOM 6685 H2 TIP3 125 -42.160 -27.007 -26.375 1.00 0.00 WAT +ATOM 6686 OH2 TIP3 126 -37.281 -26.921 -24.507 1.00 0.00 WAT +ATOM 6687 H1 TIP3 126 -36.578 -27.553 -24.291 1.00 0.00 WAT +ATOM 6688 H2 TIP3 126 -37.502 -27.192 -25.411 1.00 0.00 WAT +ATOM 6689 OH2 TIP3 127 -33.067 -27.542 -43.177 1.00 0.00 WAT +ATOM 6690 H1 TIP3 127 -33.879 -28.094 -43.220 1.00 0.00 WAT +ATOM 6691 H2 TIP3 127 -32.420 -28.197 -43.478 1.00 0.00 WAT +ATOM 6692 OH2 TIP3 128 -30.796 -28.643 -25.915 1.00 0.00 WAT +ATOM 6693 H1 TIP3 128 -31.173 -29.458 -25.538 1.00 0.00 WAT +ATOM 6694 H2 TIP3 128 -30.097 -28.424 -25.271 1.00 0.00 WAT +ATOM 6695 OH2 TIP3 129 -27.914 -22.458 39.010 1.00 0.00 WAT +ATOM 6696 H1 TIP3 129 -28.584 -22.805 39.611 1.00 0.00 WAT +ATOM 6697 H2 TIP3 129 -27.116 -22.495 39.575 1.00 0.00 WAT +ATOM 6698 OH2 TIP3 130 -42.000 -32.014 -25.597 1.00 0.00 WAT +ATOM 6699 H1 TIP3 130 -41.898 -32.883 -26.011 1.00 0.00 WAT +ATOM 6700 H2 TIP3 130 -42.861 -31.722 -25.933 1.00 0.00 WAT +ATOM 6701 OH2 TIP3 131 -37.724 -31.773 -43.110 1.00 0.00 WAT +ATOM 6702 H1 TIP3 131 -37.632 -32.454 -42.428 1.00 0.00 WAT +ATOM 6703 H2 TIP3 131 -37.018 -32.004 -43.729 1.00 0.00 WAT +ATOM 6704 OH2 TIP3 132 -35.397 -32.159 -25.819 1.00 0.00 WAT +ATOM 6705 H1 TIP3 132 -35.688 -31.829 -26.686 1.00 0.00 WAT +ATOM 6706 H2 TIP3 132 -35.308 -33.122 -25.971 1.00 0.00 WAT +ATOM 6707 OH2 TIP3 133 -32.591 -30.765 -43.506 1.00 0.00 WAT +ATOM 6708 H1 TIP3 133 -32.286 -30.584 -42.598 1.00 0.00 WAT +ATOM 6709 H2 TIP3 133 -31.922 -31.402 -43.799 1.00 0.00 WAT +ATOM 6710 OH2 TIP3 134 -30.017 -32.537 -28.449 1.00 0.00 WAT +ATOM 6711 H1 TIP3 134 -29.227 -32.006 -28.627 1.00 0.00 WAT +ATOM 6712 H2 TIP3 134 -30.704 -31.851 -28.449 1.00 0.00 WAT +ATOM 6713 OH2 TIP3 135 -41.354 -35.334 -25.833 1.00 0.00 WAT +ATOM 6714 H1 TIP3 135 -40.531 -35.843 -25.966 1.00 0.00 WAT +ATOM 6715 H2 TIP3 135 -41.213 -34.983 -24.944 1.00 0.00 WAT +ATOM 6716 OH2 TIP3 136 -36.740 -33.831 -40.896 1.00 0.00 WAT +ATOM 6717 H1 TIP3 136 -37.354 -34.291 -40.301 1.00 0.00 WAT +ATOM 6718 H2 TIP3 136 -36.386 -34.568 -41.426 1.00 0.00 WAT +ATOM 6719 OH2 TIP3 137 -37.515 -36.088 -28.572 1.00 0.00 WAT +ATOM 6720 H1 TIP3 137 -38.044 -35.292 -28.380 1.00 0.00 WAT +ATOM 6721 H2 TIP3 137 -36.835 -35.732 -29.174 1.00 0.00 WAT +ATOM 6722 OH2 TIP3 138 -35.539 -35.716 -42.771 1.00 0.00 WAT +ATOM 6723 H1 TIP3 138 -35.472 -36.006 -43.693 1.00 0.00 WAT +ATOM 6724 H2 TIP3 138 -34.594 -35.755 -42.508 1.00 0.00 WAT +ATOM 6725 OH2 TIP3 139 -32.201 -33.381 -25.023 1.00 0.00 WAT +ATOM 6726 H1 TIP3 139 -31.288 -33.554 -25.298 1.00 0.00 WAT +ATOM 6727 H2 TIP3 139 -32.430 -34.211 -24.583 1.00 0.00 WAT +ATOM 6728 OH2 TIP3 140 -36.944 -38.814 -27.449 1.00 0.00 WAT +ATOM 6729 H1 TIP3 140 -36.817 -39.444 -28.177 1.00 0.00 WAT +ATOM 6730 H2 TIP3 140 -37.109 -37.985 -27.932 1.00 0.00 WAT +ATOM 6731 OH2 TIP3 141 -36.514 -40.380 -30.030 1.00 0.00 WAT +ATOM 6732 H1 TIP3 141 -35.990 -39.816 -30.638 1.00 0.00 WAT +ATOM 6733 H2 TIP3 141 -37.429 -40.261 -30.363 1.00 0.00 WAT +ATOM 6734 OH2 TIP3 142 -35.030 -34.885 -29.572 1.00 0.00 WAT +ATOM 6735 H1 TIP3 142 -34.179 -34.965 -30.031 1.00 0.00 WAT +ATOM 6736 H2 TIP3 142 -35.322 -34.001 -29.869 1.00 0.00 WAT +ATOM 6737 OH2 TIP3 143 -30.452 -36.935 -24.800 1.00 0.00 WAT +ATOM 6738 H1 TIP3 143 -30.237 -37.863 -24.618 1.00 0.00 WAT +ATOM 6739 H2 TIP3 143 -29.568 -36.535 -24.820 1.00 0.00 WAT +ATOM 6740 OH2 TIP3 144 -29.473 -34.155 -26.308 1.00 0.00 WAT +ATOM 6741 H1 TIP3 144 -29.813 -33.533 -26.985 1.00 0.00 WAT +ATOM 6742 H2 TIP3 144 -28.572 -34.301 -26.657 1.00 0.00 WAT +ATOM 6743 OH2 TIP3 145 -38.816 -36.913 -25.656 1.00 0.00 WAT +ATOM 6744 H1 TIP3 145 -39.281 -37.768 -25.652 1.00 0.00 WAT +ATOM 6745 H2 TIP3 145 -37.971 -37.154 -26.068 1.00 0.00 WAT +ATOM 6746 OH2 TIP3 146 -36.053 -42.771 -28.786 1.00 0.00 WAT +ATOM 6747 H1 TIP3 146 -35.915 -41.870 -29.146 1.00 0.00 WAT +ATOM 6748 H2 TIP3 146 -36.967 -42.906 -29.062 1.00 0.00 WAT +ATOM 6749 OH2 TIP3 147 -34.570 -38.440 -25.855 1.00 0.00 WAT +ATOM 6750 H1 TIP3 147 -34.867 -38.706 -24.968 1.00 0.00 WAT +ATOM 6751 H2 TIP3 147 -35.382 -38.636 -26.364 1.00 0.00 WAT +ATOM 6752 OH2 TIP3 148 -31.977 -39.453 -26.872 1.00 0.00 WAT +ATOM 6753 H1 TIP3 148 -32.863 -39.311 -26.492 1.00 0.00 WAT +ATOM 6754 H2 TIP3 148 -31.597 -40.100 -26.250 1.00 0.00 WAT +ATOM 6755 OH2 TIP3 149 -30.285 -41.362 -25.197 1.00 0.00 WAT +ATOM 6756 H1 TIP3 149 -30.380 -42.237 -24.800 1.00 0.00 WAT +ATOM 6757 H2 TIP3 149 -30.386 -40.768 -24.434 1.00 0.00 WAT +ATOM 6758 OH2 TIP3 150 -40.040 -39.515 -25.772 1.00 0.00 WAT +ATOM 6759 H1 TIP3 150 -40.225 -40.184 -26.452 1.00 0.00 WAT +ATOM 6760 H2 TIP3 150 -40.390 -39.932 -24.966 1.00 0.00 WAT +ATOM 6761 OH2 TIP3 151 -34.949 -41.466 -24.743 1.00 0.00 WAT +ATOM 6762 H1 TIP3 151 -35.166 -42.289 -25.219 1.00 0.00 WAT +ATOM 6763 H2 TIP3 151 -35.799 -40.998 -24.707 1.00 0.00 WAT +ATOM 6764 OH2 TIP3 152 -35.718 -24.035 -41.556 1.00 0.00 WAT +ATOM 6765 H1 TIP3 152 -34.931 -24.563 -41.758 1.00 0.00 WAT +ATOM 6766 H2 TIP3 152 -36.151 -23.920 -42.419 1.00 0.00 WAT +ATOM 6767 OH2 TIP3 153 -41.888 -30.102 -42.388 1.00 0.00 WAT +ATOM 6768 H1 TIP3 153 -41.047 -29.959 -41.907 1.00 0.00 WAT +ATOM 6769 H2 TIP3 153 -41.773 -30.989 -42.751 1.00 0.00 WAT +ATOM 6770 OH2 TIP3 154 -42.711 -26.904 -35.239 1.00 0.00 WAT +ATOM 6771 H1 TIP3 154 -42.758 -27.798 -34.856 1.00 0.00 WAT +ATOM 6772 H2 TIP3 154 -42.444 -26.402 -34.455 1.00 0.00 WAT +ATOM 6773 OH2 TIP3 155 -25.156 -25.674 -32.193 1.00 0.00 WAT +ATOM 6774 H1 TIP3 155 -24.993 -25.751 -31.237 1.00 0.00 WAT +ATOM 6775 H2 TIP3 155 -24.278 -25.438 -32.519 1.00 0.00 WAT +ATOM 6776 OH2 TIP3 156 -25.257 -26.277 -29.332 1.00 0.00 WAT +ATOM 6777 H1 TIP3 156 -25.775 -27.037 -29.664 1.00 0.00 WAT +ATOM 6778 H2 TIP3 156 -24.709 -26.726 -28.669 1.00 0.00 WAT +ATOM 6779 OH2 TIP3 157 -27.262 -30.847 -25.032 1.00 0.00 WAT +ATOM 6780 H1 TIP3 157 -28.142 -30.768 -24.624 1.00 0.00 WAT +ATOM 6781 H2 TIP3 157 -26.807 -30.047 -24.718 1.00 0.00 WAT +ATOM 6782 OH2 TIP3 158 -25.783 -32.165 -39.387 1.00 0.00 WAT +ATOM 6783 H1 TIP3 158 -24.950 -31.687 -39.221 1.00 0.00 WAT +ATOM 6784 H2 TIP3 158 -25.856 -32.683 -38.564 1.00 0.00 WAT +ATOM 6785 OH2 TIP3 159 -25.431 -33.986 -37.277 1.00 0.00 WAT +ATOM 6786 H1 TIP3 159 -26.059 -34.590 -36.837 1.00 0.00 WAT +ATOM 6787 H2 TIP3 159 -24.714 -33.875 -36.624 1.00 0.00 WAT +ATOM 6788 OH2 TIP3 160 -25.714 -31.496 -32.393 1.00 0.00 WAT +ATOM 6789 H1 TIP3 160 -25.029 -31.970 -32.890 1.00 0.00 WAT +ATOM 6790 H2 TIP3 160 -25.531 -30.570 -32.630 1.00 0.00 WAT +ATOM 6791 OH2 TIP3 161 -26.930 -28.527 -30.077 1.00 0.00 WAT +ATOM 6792 H1 TIP3 161 -27.672 -28.164 -29.562 1.00 0.00 WAT +ATOM 6793 H2 TIP3 161 -27.408 -28.916 -30.844 1.00 0.00 WAT +ATOM 6794 OH2 TIP3 162 -25.163 -34.351 -41.073 1.00 0.00 WAT +ATOM 6795 H1 TIP3 162 -25.694 -33.965 -41.783 1.00 0.00 WAT +ATOM 6796 H2 TIP3 162 -25.305 -33.664 -40.390 1.00 0.00 WAT +ATOM 6797 OH2 TIP3 163 -26.947 -36.956 -42.214 1.00 0.00 WAT +ATOM 6798 H1 TIP3 163 -26.557 -36.210 -42.698 1.00 0.00 WAT +ATOM 6799 H2 TIP3 163 -26.474 -37.702 -42.592 1.00 0.00 WAT +ATOM 6800 OH2 TIP3 164 -27.455 -35.850 -36.476 1.00 0.00 WAT +ATOM 6801 H1 TIP3 164 -27.539 -36.794 -36.684 1.00 0.00 WAT +ATOM 6802 H2 TIP3 164 -27.835 -35.794 -35.576 1.00 0.00 WAT +ATOM 6803 OH2 TIP3 165 -42.567 -33.355 -32.537 1.00 0.00 WAT +ATOM 6804 H1 TIP3 165 -42.221 -33.129 -33.412 1.00 0.00 WAT +ATOM 6805 H2 TIP3 165 -41.773 -33.767 -32.128 1.00 0.00 WAT +ATOM 6806 OH2 TIP3 166 -26.864 -33.930 -27.363 1.00 0.00 WAT +ATOM 6807 H1 TIP3 166 -26.127 -34.546 -27.183 1.00 0.00 WAT +ATOM 6808 H2 TIP3 166 -26.403 -33.098 -27.537 1.00 0.00 WAT +ATOM 6809 OH2 TIP3 167 -25.306 -35.834 -26.151 1.00 0.00 WAT +ATOM 6810 H1 TIP3 167 -26.096 -36.372 -26.371 1.00 0.00 WAT +ATOM 6811 H2 TIP3 167 -24.607 -36.513 -26.159 1.00 0.00 WAT +ATOM 6812 OH2 TIP3 168 -27.668 -40.281 -43.413 1.00 0.00 WAT +ATOM 6813 H1 TIP3 168 -27.082 -40.424 -42.660 1.00 0.00 WAT +ATOM 6814 H2 TIP3 168 -28.555 -40.448 -43.063 1.00 0.00 WAT +ATOM 6815 OH2 TIP3 169 -27.689 -38.256 -38.350 1.00 0.00 WAT +ATOM 6816 H1 TIP3 169 -27.488 -39.219 -38.267 1.00 0.00 WAT +ATOM 6817 H2 TIP3 169 -26.851 -37.933 -38.719 1.00 0.00 WAT +ATOM 6818 OH2 TIP3 170 -27.375 -37.720 -32.919 1.00 0.00 WAT +ATOM 6819 H1 TIP3 170 -26.397 -37.675 -32.933 1.00 0.00 WAT +ATOM 6820 H2 TIP3 170 -27.519 -37.760 -31.958 1.00 0.00 WAT +ATOM 6821 OH2 TIP3 171 -27.233 -37.061 -30.065 1.00 0.00 WAT +ATOM 6822 H1 TIP3 171 -28.071 -36.636 -29.803 1.00 0.00 WAT +ATOM 6823 H2 TIP3 171 -26.675 -36.290 -30.277 1.00 0.00 WAT +ATOM 6824 OH2 TIP3 172 -42.823 -38.381 -26.274 1.00 0.00 WAT +ATOM 6825 H1 TIP3 172 -41.994 -38.803 -26.535 1.00 0.00 WAT +ATOM 6826 H2 TIP3 172 -43.463 -39.109 -26.260 1.00 0.00 WAT +ATOM 6827 OH2 TIP3 173 -25.081 -42.784 -24.294 1.00 0.00 WAT +ATOM 6828 H1 TIP3 173 -24.527 -43.543 -24.503 1.00 0.00 WAT +ATOM 6829 H2 TIP3 173 -25.031 -42.181 -25.070 1.00 0.00 WAT +ATOM 6830 OH2 TIP3 174 -27.338 -40.966 -38.225 1.00 0.00 WAT +ATOM 6831 H1 TIP3 174 -27.066 -41.471 -37.444 1.00 0.00 WAT +ATOM 6832 H2 TIP3 174 -27.952 -41.595 -38.648 1.00 0.00 WAT +ATOM 6833 OH2 TIP3 175 -41.939 -39.879 -33.371 1.00 0.00 WAT +ATOM 6834 H1 TIP3 175 -41.617 -40.802 -33.296 1.00 0.00 WAT +ATOM 6835 H2 TIP3 175 -41.140 -39.373 -33.141 1.00 0.00 WAT +ATOM 6836 OH2 TIP3 176 -43.341 -37.270 -32.451 1.00 0.00 WAT +ATOM 6837 H1 TIP3 176 -42.938 -37.771 -33.177 1.00 0.00 WAT +ATOM 6838 H2 TIP3 176 -43.164 -36.361 -32.722 1.00 0.00 WAT +ATOM 6839 OH2 TIP3 177 -25.269 -41.111 -26.449 1.00 0.00 WAT +ATOM 6840 H1 TIP3 177 -26.123 -40.646 -26.365 1.00 0.00 WAT +ATOM 6841 H2 TIP3 177 -25.373 -41.473 -27.346 1.00 0.00 WAT +ATOM 6842 OH2 TIP3 178 -25.147 -40.721 -41.747 1.00 0.00 WAT +ATOM 6843 H1 TIP3 178 -24.884 -41.458 -42.310 1.00 0.00 WAT +ATOM 6844 H2 TIP3 178 -24.335 -40.191 -41.710 1.00 0.00 WAT +ATOM 6845 OH2 TIP3 179 -43.147 -41.048 -38.874 1.00 0.00 WAT +ATOM 6846 H1 TIP3 179 -43.975 -40.736 -39.261 1.00 0.00 WAT +ATOM 6847 H2 TIP3 179 -42.527 -40.378 -39.241 1.00 0.00 WAT +ATOM 6848 OH2 TIP3 180 -27.723 -25.603 -36.775 1.00 0.00 WAT +ATOM 6849 H1 TIP3 180 -26.958 -25.648 -36.118 1.00 0.00 WAT +ATOM 6850 H2 TIP3 180 -28.426 -25.229 -36.185 1.00 0.00 WAT +ATOM 6851 OH2 TIP3 181 -42.919 -41.643 -30.526 1.00 0.00 WAT +ATOM 6852 H1 TIP3 181 -43.511 -42.244 -30.024 1.00 0.00 WAT +ATOM 6853 H2 TIP3 181 -43.290 -41.661 -31.418 1.00 0.00 WAT +ATOM 6854 OH2 TIP3 182 -41.167 -28.633 -25.892 1.00 0.00 WAT +ATOM 6855 H1 TIP3 182 -41.709 -29.242 -26.401 1.00 0.00 WAT +ATOM 6856 H2 TIP3 182 -41.324 -28.961 -24.976 1.00 0.00 WAT +ATOM 6857 OH2 TIP3 183 -38.025 -27.982 -29.982 1.00 0.00 WAT +ATOM 6858 H1 TIP3 183 -38.337 -27.138 -30.354 1.00 0.00 WAT +ATOM 6859 H2 TIP3 183 -37.065 -27.888 -30.158 1.00 0.00 WAT +ATOM 6860 OH2 TIP3 184 -33.504 -26.703 -26.995 1.00 0.00 WAT +ATOM 6861 H1 TIP3 184 -33.388 -26.846 -26.043 1.00 0.00 WAT +ATOM 6862 H2 TIP3 184 -32.690 -26.214 -27.225 1.00 0.00 WAT +ATOM 6863 OH2 TIP3 185 -31.179 -25.234 -27.763 1.00 0.00 WAT +ATOM 6864 H1 TIP3 185 -30.500 -25.926 -27.884 1.00 0.00 WAT +ATOM 6865 H2 TIP3 185 -30.905 -24.859 -26.897 1.00 0.00 WAT +ATOM 6866 OH2 TIP3 186 -26.652 -42.754 -28.541 1.00 0.00 WAT +ATOM 6867 H1 TIP3 186 -27.160 -42.152 -29.112 1.00 0.00 WAT +ATOM 6868 H2 TIP3 186 -26.411 -43.431 -29.194 1.00 0.00 WAT +ATOM 6869 OH2 TIP3 187 -40.699 -24.921 -29.747 1.00 0.00 WAT +ATOM 6870 H1 TIP3 187 -41.389 -24.421 -30.223 1.00 0.00 WAT +ATOM 6871 H2 TIP3 187 -40.999 -24.832 -28.835 1.00 0.00 WAT +ATOM 6872 OH2 TIP3 188 -38.196 -25.256 -31.107 1.00 0.00 WAT +ATOM 6873 H1 TIP3 188 -39.055 -25.062 -30.682 1.00 0.00 WAT +ATOM 6874 H2 TIP3 188 -38.158 -24.589 -31.811 1.00 0.00 WAT +ATOM 6875 OH2 TIP3 189 -33.527 -24.002 -31.827 1.00 0.00 WAT +ATOM 6876 H1 TIP3 189 -33.947 -23.496 -31.657 1.00 0.00 WAT +ATOM 6877 H2 TIP3 189 -33.030 -24.391 -31.094 1.00 0.00 WAT +ATOM 6878 OH2 TIP3 190 -31.087 -26.500 -30.519 1.00 0.00 WAT +ATOM 6879 H1 TIP3 190 -31.811 -26.288 -31.138 1.00 0.00 WAT +ATOM 6880 H2 TIP3 190 -30.474 -25.776 -30.656 1.00 0.00 WAT +ATOM 6881 OH2 TIP3 191 -28.589 -24.800 -30.459 1.00 0.00 WAT +ATOM 6882 H1 TIP3 191 -28.580 -23.848 -30.683 1.00 0.00 WAT +ATOM 6883 H2 TIP3 191 -28.262 -25.188 -31.289 1.00 0.00 WAT +ATOM 6884 OH2 TIP3 192 -41.248 -26.160 -32.760 1.00 0.00 WAT +ATOM 6885 H1 TIP3 192 -41.349 -26.613 -31.898 1.00 0.00 WAT +ATOM 6886 H2 TIP3 192 -40.489 -26.639 -33.133 1.00 0.00 WAT +ATOM 6887 OH2 TIP3 193 -39.073 -27.456 -34.305 1.00 0.00 WAT +ATOM 6888 H1 TIP3 193 -39.263 -28.360 -33.977 1.00 0.00 WAT +ATOM 6889 H2 TIP3 193 -38.192 -27.283 -33.903 1.00 0.00 WAT +ATOM 6890 OH2 TIP3 194 -36.432 -27.184 -33.403 1.00 0.00 WAT +ATOM 6891 H1 TIP3 194 -36.157 -28.105 -33.517 1.00 0.00 WAT +ATOM 6892 H2 TIP3 194 -36.232 -27.022 -32.470 1.00 0.00 WAT +ATOM 6893 OH2 TIP3 195 -33.012 -41.122 -34.124 1.00 0.00 WAT +ATOM 6894 H1 TIP3 195 -33.622 -41.827 -33.828 1.00 0.00 WAT +ATOM 6895 H2 TIP3 195 -32.392 -41.616 -34.683 1.00 0.00 WAT +ATOM 6896 OH2 TIP3 196 -27.712 -43.291 -33.645 1.00 0.00 WAT +ATOM 6897 H1 TIP3 196 -27.116 -42.895 -34.303 1.00 0.00 WAT +ATOM 6898 H2 TIP3 196 -28.586 -43.053 -33.979 1.00 0.00 WAT +ATOM 6899 OH2 TIP3 197 -25.782 -42.235 -35.837 1.00 0.00 WAT +ATOM 6900 H1 TIP3 197 -25.215 -42.470 -36.577 1.00 0.00 WAT +ATOM 6901 H2 TIP3 197 -25.566 -41.293 -35.703 1.00 0.00 WAT +ATOM 6902 OH2 TIP3 198 -40.758 -42.789 -36.680 1.00 0.00 WAT +ATOM 6903 H1 TIP3 198 -41.581 -43.130 -37.055 1.00 0.00 WAT +ATOM 6904 H2 TIP3 198 -40.250 -43.589 -36.511 1.00 0.00 WAT +ATOM 6905 OH2 TIP3 199 -41.983 -42.895 -40.749 1.00 0.00 WAT +ATOM 6906 H1 TIP3 199 -41.642 -42.232 -41.379 1.00 0.00 WAT +ATOM 6907 H2 TIP3 199 -42.514 -42.342 -40.148 1.00 0.00 WAT +ATOM 6908 OH2 TIP3 200 -36.134 -42.216 -36.500 1.00 0.00 WAT +ATOM 6909 H1 TIP3 200 -35.197 -42.334 -36.713 1.00 0.00 WAT +ATOM 6910 H2 TIP3 200 -36.326 -42.963 -35.923 1.00 0.00 WAT +ATOM 6911 OH2 TIP3 201 -30.608 -42.642 -35.164 1.00 0.00 WAT +ATOM 6912 H1 TIP3 201 -30.258 -42.620 -36.063 1.00 0.00 WAT +ATOM 6913 H2 TIP3 201 -30.725 -43.587 -34.991 1.00 0.00 WAT +ATOM 6914 OH2 TIP3 202 -29.527 -42.708 -39.152 1.00 0.00 WAT +ATOM 6915 H1 TIP3 202 -30.269 -42.146 -39.445 1.00 0.00 WAT +ATOM 6916 H2 TIP3 202 -29.895 -43.599 -39.195 1.00 0.00 WAT +ATOM 6917 OH2 TIP3 203 -41.785 -26.883 -39.866 1.00 0.00 WAT +ATOM 6918 H1 TIP3 203 -42.605 -27.074 -40.335 1.00 0.00 WAT +ATOM 6919 H2 TIP3 203 -41.860 -25.933 -39.713 1.00 0.00 WAT +ATOM 6920 OH2 TIP3 204 -40.119 -41.114 -42.239 1.00 0.00 WAT +ATOM 6921 H1 TIP3 204 -39.575 -41.599 -42.871 1.00 0.00 WAT +ATOM 6922 H2 TIP3 204 -39.437 -40.631 -41.738 1.00 0.00 WAT +ATOM 6923 OH2 TIP3 205 -34.945 -40.566 -39.846 1.00 0.00 WAT +ATOM 6924 H1 TIP3 205 -34.818 -41.417 -39.380 1.00 0.00 WAT +ATOM 6925 H2 TIP3 205 -34.695 -39.906 -39.168 1.00 0.00 WAT +ATOM 6926 OH2 TIP3 206 -32.982 -25.295 -41.334 1.00 0.00 WAT +ATOM 6927 H1 TIP3 206 -32.054 -25.073 -41.468 1.00 0.00 WAT +ATOM 6928 H2 TIP3 206 -33.114 -25.964 -42.028 1.00 0.00 WAT +ATOM 6929 OH2 TIP3 207 -26.168 -26.113 -38.990 1.00 0.00 WAT +ATOM 6930 H1 TIP3 207 -26.542 -26.919 -39.370 1.00 0.00 WAT +ATOM 6931 H2 TIP3 207 -26.505 -25.413 -39.601 1.00 0.00 WAT +ATOM 6932 OH2 TIP3 208 -41.107 -41.765 -27.334 1.00 0.00 WAT +ATOM 6933 H1 TIP3 208 -41.591 -42.448 -26.826 1.00 0.00 WAT +ATOM 6934 H2 TIP3 208 -40.272 -42.239 -27.472 1.00 0.00 WAT +ATOM 6935 OH2 TIP3 209 -38.086 -42.776 -24.727 1.00 0.00 WAT +ATOM 6936 H1 TIP3 209 -37.220 -43.028 -25.122 1.00 0.00 WAT +ATOM 6937 H2 TIP3 209 -38.266 -43.547 -24.177 1.00 0.00 WAT +ATOM 6938 OH2 TIP3 210 -39.612 -25.832 -42.380 1.00 0.00 WAT +ATOM 6939 H1 TIP3 210 -40.211 -25.636 -41.648 1.00 0.00 WAT +ATOM 6940 H2 TIP3 210 -39.285 -26.713 -42.177 1.00 0.00 WAT +ATOM 6941 OH2 TIP3 211 -26.924 -27.335 -26.432 1.00 0.00 WAT +ATOM 6942 H1 TIP3 211 -27.684 -27.535 -27.007 1.00 0.00 WAT +ATOM 6943 H2 TIP3 211 -27.114 -26.407 -26.197 1.00 0.00 WAT +ATOM 6944 OH2 TIP3 212 -12.732 -33.666 -36.292 1.00 0.00 WAT +ATOM 6945 H1 TIP3 212 -12.761 -32.703 -36.165 1.00 0.00 WAT +ATOM 6946 H2 TIP3 212 -13.518 -33.808 -36.836 1.00 0.00 WAT +ATOM 6947 OH2 TIP3 213 -13.877 -34.226 -33.204 1.00 0.00 WAT +ATOM 6948 H1 TIP3 213 -13.907 -34.782 -32.409 1.00 0.00 WAT +ATOM 6949 H2 TIP3 213 -14.173 -34.850 -33.884 1.00 0.00 WAT +ATOM 6950 OH2 TIP3 214 -21.415 -34.640 -31.534 1.00 0.00 WAT +ATOM 6951 H1 TIP3 214 -21.437 -35.390 -30.910 1.00 0.00 WAT +ATOM 6952 H2 TIP3 214 -20.718 -34.096 -31.140 1.00 0.00 WAT +ATOM 6953 OH2 TIP3 215 -10.188 -31.496 -34.881 1.00 0.00 WAT +ATOM 6954 H1 TIP3 215 -10.592 -32.196 -34.350 1.00 0.00 WAT +ATOM 6955 H2 TIP3 215 -9.948 -30.856 -34.197 1.00 0.00 WAT +ATOM 6956 OH2 TIP3 216 -20.764 -29.994 -33.038 1.00 0.00 WAT +ATOM 6957 H1 TIP3 216 -21.000 -30.914 -33.285 1.00 0.00 WAT +ATOM 6958 H2 TIP3 216 -19.834 -30.121 -32.798 1.00 0.00 WAT +ATOM 6959 OH2 TIP3 217 -23.763 -36.622 -37.626 1.00 0.00 WAT +ATOM 6960 H1 TIP3 217 -24.145 -35.737 -37.521 1.00 0.00 WAT +ATOM 6961 H2 TIP3 217 -24.482 -37.092 -38.067 1.00 0.00 WAT +ATOM 6962 OH2 TIP3 218 -22.972 -34.150 -35.798 1.00 0.00 WAT +ATOM 6963 H1 TIP3 218 -22.807 -34.975 -35.299 1.00 0.00 WAT +ATOM 6964 H2 TIP3 218 -22.129 -34.026 -36.253 1.00 0.00 WAT +ATOM 6965 OH2 TIP3 219 -13.140 -26.115 -34.315 1.00 0.00 WAT +ATOM 6966 H1 TIP3 219 -12.566 -26.839 -34.632 1.00 0.00 WAT +ATOM 6967 H2 TIP3 219 -13.433 -26.453 -33.459 1.00 0.00 WAT +ATOM 6968 OH2 TIP3 220 -15.406 -31.711 -32.639 1.00 0.00 WAT +ATOM 6969 H1 TIP3 220 -15.084 -32.432 -33.208 1.00 0.00 WAT +ATOM 6970 H2 TIP3 220 -14.596 -31.561 -32.114 1.00 0.00 WAT +ATOM 6971 OH2 TIP3 221 -6.870 -40.126 -32.086 1.00 0.00 WAT +ATOM 6972 H1 TIP3 221 -6.512 -39.765 -31.259 1.00 0.00 WAT +ATOM 6973 H2 TIP3 221 -6.165 -39.880 -32.711 1.00 0.00 WAT +ATOM 6974 OH2 TIP3 222 -12.112 -37.396 -32.120 1.00 0.00 WAT +ATOM 6975 H1 TIP3 222 -11.927 -38.351 -32.096 1.00 0.00 WAT +ATOM 6976 H2 TIP3 222 -12.214 -37.249 -33.074 1.00 0.00 WAT +ATOM 6977 OH2 TIP3 223 -19.169 -39.411 -35.022 1.00 0.00 WAT +ATOM 6978 H1 TIP3 223 -18.989 -38.565 -35.476 1.00 0.00 WAT +ATOM 6979 H2 TIP3 223 -19.490 -39.946 -35.772 1.00 0.00 WAT +ATOM 6980 OH2 TIP3 224 -11.276 -39.225 -36.707 1.00 0.00 WAT +ATOM 6981 H1 TIP3 224 -10.681 -39.666 -36.066 1.00 0.00 WAT +ATOM 6982 H2 TIP3 224 -10.634 -38.779 -37.278 1.00 0.00 WAT +ATOM 6983 OH2 TIP3 225 -22.440 -36.622 -34.546 1.00 0.00 WAT +ATOM 6984 H1 TIP3 225 -21.836 -37.109 -33.963 1.00 0.00 WAT +ATOM 6985 H2 TIP3 225 -22.363 -37.128 -35.373 1.00 0.00 WAT +ATOM 6986 OH2 TIP3 226 -17.059 -35.252 -35.089 1.00 0.00 WAT +ATOM 6987 H1 TIP3 226 -16.360 -35.806 -34.690 1.00 0.00 WAT +ATOM 6988 H2 TIP3 226 -17.569 -35.921 -35.583 1.00 0.00 WAT +ATOM 6989 OH2 TIP3 227 -5.910 -38.455 -29.417 1.00 0.00 WAT +ATOM 6990 H1 TIP3 227 -6.698 -37.984 -29.739 1.00 0.00 WAT +ATOM 6991 H2 TIP3 227 -6.271 -38.924 -28.656 1.00 0.00 WAT +ATOM 6992 OH2 TIP3 228 -20.344 -40.563 -30.874 1.00 0.00 WAT +ATOM 6993 H1 TIP3 228 -20.688 -40.005 -31.591 1.00 0.00 WAT +ATOM 6994 H2 TIP3 228 -21.010 -40.374 -30.181 1.00 0.00 WAT +ATOM 6995 OH2 TIP3 229 -12.831 -30.813 -37.511 1.00 0.00 WAT +ATOM 6996 H1 TIP3 229 -13.145 -31.023 -38.396 1.00 0.00 WAT +ATOM 6997 H2 TIP3 229 -13.296 -29.979 -37.320 1.00 0.00 WAT +ATOM 6998 OH2 TIP3 230 -17.399 -32.694 -30.764 1.00 0.00 WAT +ATOM 6999 H1 TIP3 230 -18.141 -32.106 -30.505 1.00 0.00 WAT +ATOM 7000 H2 TIP3 230 -16.787 -32.075 -31.200 1.00 0.00 WAT +ATOM 7001 OH2 TIP3 231 -9.381 -40.119 -34.676 1.00 0.00 WAT +ATOM 7002 H1 TIP3 231 -9.849 -40.623 -33.999 1.00 0.00 WAT +ATOM 7003 H2 TIP3 231 -8.865 -39.502 -34.132 1.00 0.00 WAT +ATOM 7004 OH2 TIP3 232 -20.740 -38.548 -32.932 1.00 0.00 WAT +ATOM 7005 H1 TIP3 232 -20.105 -37.948 -32.486 1.00 0.00 WAT +ATOM 7006 H2 TIP3 232 -20.170 -38.898 -33.653 1.00 0.00 WAT +ATOM 7007 OH2 TIP3 233 -19.419 -30.832 -30.050 1.00 0.00 WAT +ATOM 7008 H1 TIP3 233 -19.450 -29.901 -30.338 1.00 0.00 WAT +ATOM 7009 H2 TIP3 233 -20.283 -30.894 -29.597 1.00 0.00 WAT +ATOM 7010 OH2 TIP3 234 -23.106 -31.126 -39.171 1.00 0.00 WAT +ATOM 7011 H1 TIP3 234 -23.272 -30.722 -40.045 1.00 0.00 WAT +ATOM 7012 H2 TIP3 234 -22.958 -30.362 -38.583 1.00 0.00 WAT +ATOM 7013 OH2 TIP3 235 -9.628 -29.680 -32.395 1.00 0.00 WAT +ATOM 7014 H1 TIP3 235 -10.599 -29.575 -32.347 1.00 0.00 WAT +ATOM 7015 H2 TIP3 235 -9.376 -28.809 -32.752 1.00 0.00 WAT +ATOM 7016 OH2 TIP3 236 -9.228 -41.083 -30.647 1.00 0.00 WAT +ATOM 7017 H1 TIP3 236 -10.039 -40.784 -31.090 1.00 0.00 WAT +ATOM 7018 H2 TIP3 236 -8.572 -40.974 -31.360 1.00 0.00 WAT +ATOM 7019 OH2 TIP3 237 -16.119 43.814 -33.634 1.00 0.00 WAT +ATOM 7020 H1 TIP3 237 -16.150 42.856 -33.533 1.00 0.00 WAT +ATOM 7021 H2 TIP3 237 -16.997 44.117 -33.325 1.00 0.00 WAT +ATOM 7022 OH2 TIP3 238 -11.347 -27.738 -35.811 1.00 0.00 WAT +ATOM 7023 H1 TIP3 238 -10.865 -28.523 -36.135 1.00 0.00 WAT +ATOM 7024 H2 TIP3 238 -10.676 -27.039 -35.932 1.00 0.00 WAT +ATOM 7025 OH2 TIP3 239 -9.882 -29.888 -37.209 1.00 0.00 WAT +ATOM 7026 H1 TIP3 239 -10.449 -30.314 -37.866 1.00 0.00 WAT +ATOM 7027 H2 TIP3 239 -9.954 -30.512 -36.461 1.00 0.00 WAT +ATOM 7028 OH2 TIP3 240 -8.330 -31.050 -28.705 1.00 0.00 WAT +ATOM 7029 H1 TIP3 240 -8.475 -31.696 -29.419 1.00 0.00 WAT +ATOM 7030 H2 TIP3 240 -8.255 -30.211 -29.198 1.00 0.00 WAT +ATOM 7031 OH2 TIP3 241 -14.067 -34.180 -39.057 1.00 0.00 WAT +ATOM 7032 H1 TIP3 241 -14.731 -33.538 -39.375 1.00 0.00 WAT +ATOM 7033 H2 TIP3 241 -13.352 -34.063 -39.699 1.00 0.00 WAT +ATOM 7034 OH2 TIP3 242 -13.879 -35.935 -42.083 1.00 0.00 WAT +ATOM 7035 H1 TIP3 242 -13.207 -35.629 -41.451 1.00 0.00 WAT +ATOM 7036 H2 TIP3 242 -13.339 -36.544 -42.634 1.00 0.00 WAT +ATOM 7037 OH2 TIP3 243 -6.511 -34.796 -30.873 1.00 0.00 WAT +ATOM 7038 H1 TIP3 243 -7.285 -34.221 -30.714 1.00 0.00 WAT +ATOM 7039 H2 TIP3 243 -6.210 -34.471 -31.733 1.00 0.00 WAT +ATOM 7040 OH2 TIP3 244 -10.575 -34.140 -37.943 1.00 0.00 WAT +ATOM 7041 H1 TIP3 244 -11.277 -33.925 -37.286 1.00 0.00 WAT +ATOM 7042 H2 TIP3 244 -10.007 -34.724 -37.411 1.00 0.00 WAT +ATOM 7043 OH2 TIP3 245 -10.734 -35.612 -29.104 1.00 0.00 WAT +ATOM 7044 H1 TIP3 245 -10.701 -34.799 -28.572 1.00 0.00 WAT +ATOM 7045 H2 TIP3 245 -11.404 -35.335 -29.755 1.00 0.00 WAT +ATOM 7046 OH2 TIP3 246 -18.990 -33.374 -36.155 1.00 0.00 WAT +ATOM 7047 H1 TIP3 246 -19.298 -33.803 -36.977 1.00 0.00 WAT +ATOM 7048 H2 TIP3 246 -18.340 -34.018 -35.822 1.00 0.00 WAT +ATOM 7049 OH2 TIP3 247 -17.622 -29.959 -33.423 1.00 0.00 WAT +ATOM 7050 H1 TIP3 247 -17.738 -30.355 -34.297 1.00 0.00 WAT +ATOM 7051 H2 TIP3 247 -16.833 -30.432 -33.094 1.00 0.00 WAT +ATOM 7052 OH2 TIP3 248 -18.395 -34.572 -32.666 1.00 0.00 WAT +ATOM 7053 H1 TIP3 248 -17.824 -34.530 -33.457 1.00 0.00 WAT +ATOM 7054 H2 TIP3 248 -18.005 -33.895 -32.082 1.00 0.00 WAT +ATOM 7055 OH2 TIP3 249 -12.421 -29.062 -32.088 1.00 0.00 WAT +ATOM 7056 H1 TIP3 249 -12.435 -28.383 -31.392 1.00 0.00 WAT +ATOM 7057 H2 TIP3 249 -12.687 -29.872 -31.618 1.00 0.00 WAT +ATOM 7058 OH2 TIP3 250 -17.560 -30.244 -27.841 1.00 0.00 WAT +ATOM 7059 H1 TIP3 250 -18.071 -29.583 -27.339 1.00 0.00 WAT +ATOM 7060 H2 TIP3 250 -18.208 -30.508 -28.520 1.00 0.00 WAT +ATOM 7061 OH2 TIP3 251 -11.494 -34.704 -40.562 1.00 0.00 WAT +ATOM 7062 H1 TIP3 251 -11.088 -34.429 -39.713 1.00 0.00 WAT +ATOM 7063 H2 TIP3 251 -10.921 -34.244 -41.201 1.00 0.00 WAT +ATOM 7064 OH2 TIP3 252 -20.627 -33.837 -28.720 1.00 0.00 WAT +ATOM 7065 H1 TIP3 252 -20.577 -33.266 -27.932 1.00 0.00 WAT +ATOM 7066 H2 TIP3 252 -21.586 -33.984 -28.790 1.00 0.00 WAT +ATOM 7067 OH2 TIP3 253 -14.184 -28.102 -36.932 1.00 0.00 WAT +ATOM 7068 H1 TIP3 253 -13.694 -27.805 -36.156 1.00 0.00 WAT +ATOM 7069 H2 TIP3 253 -14.651 -27.301 -37.213 1.00 0.00 WAT +ATOM 7070 OH2 TIP3 254 -19.460 -28.065 -27.013 1.00 0.00 WAT +ATOM 7071 H1 TIP3 254 -19.583 -28.034 -27.977 1.00 0.00 WAT +ATOM 7072 H2 TIP3 254 -20.340 -28.331 -26.684 1.00 0.00 WAT +ATOM 7073 OH2 TIP3 255 -8.274 -43.389 -41.242 1.00 0.00 WAT +ATOM 7074 H1 TIP3 255 -8.780 -43.301 -40.421 1.00 0.00 WAT +ATOM 7075 H2 TIP3 255 -7.663 -42.646 -41.153 1.00 0.00 WAT +ATOM 7076 OH2 TIP3 256 -20.055 -34.624 -38.631 1.00 0.00 WAT +ATOM 7077 H1 TIP3 256 -20.295 -33.861 -39.189 1.00 0.00 WAT +ATOM 7078 H2 TIP3 256 -20.731 -35.268 -38.880 1.00 0.00 WAT +ATOM 7079 OH2 TIP3 257 -7.078 -28.850 -42.438 1.00 0.00 WAT +ATOM 7080 H1 TIP3 257 -6.844 -27.949 -42.167 1.00 0.00 WAT +ATOM 7081 H2 TIP3 257 -6.224 -29.306 -42.406 1.00 0.00 WAT +ATOM 7082 OH2 TIP3 258 -24.012 -31.961 -29.901 1.00 0.00 WAT +ATOM 7083 H1 TIP3 258 -24.447 -31.987 -30.773 1.00 0.00 WAT +ATOM 7084 H2 TIP3 258 -23.872 -32.910 -29.716 1.00 0.00 WAT +ATOM 7085 OH2 TIP3 259 -23.953 -29.036 -32.959 1.00 0.00 WAT +ATOM 7086 H1 TIP3 259 -23.027 -29.321 -32.924 1.00 0.00 WAT +ATOM 7087 H2 TIP3 259 -23.995 -28.438 -32.198 1.00 0.00 WAT +ATOM 7088 OH2 TIP3 260 -5.570 -28.422 -27.186 1.00 0.00 WAT +ATOM 7089 H1 TIP3 260 -5.684 -29.372 -27.365 1.00 0.00 WAT +ATOM 7090 H2 TIP3 260 -6.481 -28.179 -26.908 1.00 0.00 WAT +ATOM 7091 OH2 TIP3 261 -14.925 -29.194 -28.403 1.00 0.00 WAT +ATOM 7092 H1 TIP3 261 -14.850 -28.374 -27.873 1.00 0.00 WAT +ATOM 7093 H2 TIP3 261 -15.825 -29.497 -28.169 1.00 0.00 WAT +ATOM 7094 OH2 TIP3 262 -14.591 -25.392 -38.450 1.00 0.00 WAT +ATOM 7095 H1 TIP3 262 -14.649 -25.306 -39.417 1.00 0.00 WAT +ATOM 7096 H2 TIP3 262 -14.560 -24.470 -38.153 1.00 0.00 WAT +ATOM 7097 OH2 TIP3 263 -20.849 -26.234 -36.792 1.00 0.00 WAT +ATOM 7098 H1 TIP3 263 -20.666 -26.688 -35.944 1.00 0.00 WAT +ATOM 7099 H2 TIP3 263 -21.672 -26.668 -37.055 1.00 0.00 WAT +ATOM 7100 OH2 TIP3 264 -11.375 -25.623 -41.081 1.00 0.00 WAT +ATOM 7101 H1 TIP3 264 -11.010 -26.221 -41.772 1.00 0.00 WAT +ATOM 7102 H2 TIP3 264 -11.466 -26.242 -40.328 1.00 0.00 WAT +ATOM 7103 OH2 TIP3 265 -11.921 -26.593 -38.567 1.00 0.00 WAT +ATOM 7104 H1 TIP3 265 -12.849 -26.376 -38.375 1.00 0.00 WAT +ATOM 7105 H2 TIP3 265 -11.735 -27.250 -37.880 1.00 0.00 WAT +ATOM 7106 OH2 TIP3 266 -8.760 -37.074 -26.806 1.00 0.00 WAT +ATOM 7107 H1 TIP3 266 -9.297 -36.695 -27.516 1.00 0.00 WAT +ATOM 7108 H2 TIP3 266 -8.702 -38.008 -27.081 1.00 0.00 WAT +ATOM 7109 OH2 TIP3 267 -21.812 -30.411 -28.662 1.00 0.00 WAT +ATOM 7110 H1 TIP3 267 -21.545 -30.866 -27.837 1.00 0.00 WAT +ATOM 7111 H2 TIP3 267 -22.551 -30.958 -28.983 1.00 0.00 WAT +ATOM 7112 OH2 TIP3 268 -18.604 -42.190 -32.740 1.00 0.00 WAT +ATOM 7113 H1 TIP3 268 -19.427 -42.434 -33.186 1.00 0.00 WAT +ATOM 7114 H2 TIP3 268 -18.865 -41.363 -32.307 1.00 0.00 WAT +ATOM 7115 OH2 TIP3 269 -14.056 -42.605 -29.155 1.00 0.00 WAT +ATOM 7116 H1 TIP3 269 -13.853 -43.108 -28.361 1.00 0.00 WAT +ATOM 7117 H2 TIP3 269 -15.001 -42.781 -29.256 1.00 0.00 WAT +ATOM 7118 OH2 TIP3 270 -11.067 -38.623 -28.733 1.00 0.00 WAT +ATOM 7119 H1 TIP3 270 -11.665 -38.754 -27.974 1.00 0.00 WAT +ATOM 7120 H2 TIP3 270 -11.146 -37.671 -28.914 1.00 0.00 WAT +ATOM 7121 OH2 TIP3 271 -9.173 -33.907 -42.556 1.00 0.00 WAT +ATOM 7122 H1 TIP3 271 -9.784 -34.047 -43.304 1.00 0.00 WAT +ATOM 7123 H2 TIP3 271 -9.015 -32.963 -42.671 1.00 0.00 WAT +ATOM 7124 OH2 TIP3 272 -14.415 -39.990 -42.169 1.00 0.00 WAT +ATOM 7125 H1 TIP3 272 -14.958 -39.943 -41.358 1.00 0.00 WAT +ATOM 7126 H2 TIP3 272 -14.916 -40.657 -42.651 1.00 0.00 WAT +ATOM 7127 OH2 TIP3 273 -18.765 -37.157 -31.478 1.00 0.00 WAT +ATOM 7128 H1 TIP3 273 -19.346 -37.034 -30.709 1.00 0.00 WAT +ATOM 7129 H2 TIP3 273 -18.690 -36.244 -31.831 1.00 0.00 WAT +ATOM 7130 OH2 TIP3 274 -18.819 -37.082 -36.590 1.00 0.00 WAT +ATOM 7131 H1 TIP3 274 -19.774 -37.188 -36.752 1.00 0.00 WAT +ATOM 7132 H2 TIP3 274 -18.467 -37.265 -37.485 1.00 0.00 WAT +ATOM 7133 OH2 TIP3 275 -13.130 -36.529 -37.855 1.00 0.00 WAT +ATOM 7134 H1 TIP3 275 -13.549 -35.706 -38.184 1.00 0.00 WAT +ATOM 7135 H2 TIP3 275 -12.507 -36.726 -38.574 1.00 0.00 WAT +ATOM 7136 OH2 TIP3 276 -14.014 -36.321 -26.491 1.00 0.00 WAT +ATOM 7137 H1 TIP3 276 -14.533 -37.059 -26.110 1.00 0.00 WAT +ATOM 7138 H2 TIP3 276 -13.148 -36.440 -26.054 1.00 0.00 WAT +ATOM 7139 OH2 TIP3 277 -12.341 -37.112 -35.054 1.00 0.00 WAT +ATOM 7140 H1 TIP3 277 -12.633 -36.544 -35.793 1.00 0.00 WAT +ATOM 7141 H2 TIP3 277 -12.143 -37.931 -35.552 1.00 0.00 WAT +ATOM 7142 OH2 TIP3 278 -21.401 -36.965 -29.655 1.00 0.00 WAT +ATOM 7143 H1 TIP3 278 -21.128 -36.688 -28.772 1.00 0.00 WAT +ATOM 7144 H2 TIP3 278 -21.792 -37.841 -29.464 1.00 0.00 WAT +ATOM 7145 OH2 TIP3 279 -17.690 -39.592 -43.170 1.00 0.00 WAT +ATOM 7146 H1 TIP3 279 -17.989 -39.865 -42.285 1.00 0.00 WAT +ATOM 7147 H2 TIP3 279 -18.450 -39.055 -43.463 1.00 0.00 WAT +ATOM 7148 OH2 TIP3 280 -24.603 -39.562 -36.016 1.00 0.00 WAT +ATOM 7149 H1 TIP3 280 -24.028 -39.558 -35.225 1.00 0.00 WAT +ATOM 7150 H2 TIP3 280 -24.041 -39.941 -36.703 1.00 0.00 WAT +ATOM 7151 OH2 TIP3 281 -23.033 -39.110 -40.377 1.00 0.00 WAT +ATOM 7152 H1 TIP3 281 -22.456 -38.621 -40.997 1.00 0.00 WAT +ATOM 7153 H2 TIP3 281 -23.688 -38.424 -40.158 1.00 0.00 WAT +ATOM 7154 OH2 TIP3 282 -13.239 -35.435 -30.574 1.00 0.00 WAT +ATOM 7155 H1 TIP3 282 -12.820 -36.167 -31.082 1.00 0.00 WAT +ATOM 7156 H2 TIP3 282 -13.600 -35.911 -29.813 1.00 0.00 WAT +ATOM 7157 OH2 TIP3 283 -16.045 -39.415 -35.599 1.00 0.00 WAT +ATOM 7158 H1 TIP3 283 -16.978 -39.590 -35.394 1.00 0.00 WAT +ATOM 7159 H2 TIP3 283 -15.607 -39.733 -34.792 1.00 0.00 WAT +ATOM 7160 OH2 TIP3 284 -21.467 -38.276 -36.902 1.00 0.00 WAT +ATOM 7161 H1 TIP3 284 -22.289 -38.004 -37.349 1.00 0.00 WAT +ATOM 7162 H2 TIP3 284 -21.202 -39.088 -37.375 1.00 0.00 WAT +ATOM 7163 OH2 TIP3 285 -17.885 -37.853 -39.206 1.00 0.00 WAT +ATOM 7164 H1 TIP3 285 -16.913 -37.829 -39.173 1.00 0.00 WAT +ATOM 7165 H2 TIP3 285 -18.108 -37.289 -39.967 1.00 0.00 WAT +ATOM 7166 OH2 TIP3 286 -11.708 -40.316 -32.555 1.00 0.00 WAT +ATOM 7167 H1 TIP3 286 -12.341 -40.350 -31.808 1.00 0.00 WAT +ATOM 7168 H2 TIP3 286 -12.282 -40.638 -33.272 1.00 0.00 WAT +ATOM 7169 OH2 TIP3 287 -19.262 -36.759 -41.569 1.00 0.00 WAT +ATOM 7170 H1 TIP3 287 -19.918 -37.206 -42.128 1.00 0.00 WAT +ATOM 7171 H2 TIP3 287 -18.560 -36.534 -42.196 1.00 0.00 WAT +ATOM 7172 OH2 TIP3 288 -8.644 -24.562 -25.874 1.00 0.00 WAT +ATOM 7173 H1 TIP3 288 -8.462 -24.112 -26.716 1.00 0.00 WAT +ATOM 7174 H2 TIP3 288 -7.902 -24.257 -25.325 1.00 0.00 WAT +ATOM 7175 OH2 TIP3 289 -20.743 -31.942 -26.467 1.00 0.00 WAT +ATOM 7176 H1 TIP3 289 -20.069 -31.862 -25.758 1.00 0.00 WAT +ATOM 7177 H2 TIP3 289 -21.550 -31.967 -25.914 1.00 0.00 WAT +ATOM 7178 OH2 TIP3 290 -15.020 -36.929 -33.734 1.00 0.00 WAT +ATOM 7179 H1 TIP3 290 -14.318 -37.390 -34.217 1.00 0.00 WAT +ATOM 7180 H2 TIP3 290 -15.206 -37.556 -33.007 1.00 0.00 WAT +ATOM 7181 OH2 TIP3 291 -19.885 -40.659 -37.573 1.00 0.00 WAT +ATOM 7182 H1 TIP3 291 -20.340 -41.508 -37.431 1.00 0.00 WAT +ATOM 7183 H2 TIP3 291 -19.014 -40.946 -37.884 1.00 0.00 WAT +ATOM 7184 OH2 TIP3 292 -16.060 -38.479 -31.496 1.00 0.00 WAT +ATOM 7185 H1 TIP3 292 -16.828 -37.884 -31.485 1.00 0.00 WAT +ATOM 7186 H2 TIP3 292 -15.569 -38.220 -30.690 1.00 0.00 WAT +ATOM 7187 OH2 TIP3 293 -15.909 -32.119 -39.598 1.00 0.00 WAT +ATOM 7188 H1 TIP3 293 -16.689 -32.601 -39.938 1.00 0.00 WAT +ATOM 7189 H2 TIP3 293 -16.106 -32.046 -38.635 1.00 0.00 WAT +ATOM 7190 OH2 TIP3 294 -8.682 -32.958 -30.877 1.00 0.00 WAT +ATOM 7191 H1 TIP3 294 -8.208 -32.405 -31.532 1.00 0.00 WAT +ATOM 7192 H2 TIP3 294 -9.551 -33.072 -31.311 1.00 0.00 WAT +ATOM 7193 OH2 TIP3 295 -11.706 -39.290 -41.873 1.00 0.00 WAT +ATOM 7194 H1 TIP3 295 -12.680 -39.374 -41.877 1.00 0.00 WAT +ATOM 7195 H2 TIP3 295 -11.526 -38.556 -41.256 1.00 0.00 WAT +ATOM 7196 OH2 TIP3 296 -14.263 -32.078 -28.286 1.00 0.00 WAT +ATOM 7197 H1 TIP3 296 -14.576 -32.414 -27.434 1.00 0.00 WAT +ATOM 7198 H2 TIP3 296 -14.589 -31.165 -28.281 1.00 0.00 WAT +ATOM 7199 OH2 TIP3 297 -11.153 -37.487 -39.878 1.00 0.00 WAT +ATOM 7200 H1 TIP3 297 -10.289 -37.647 -39.450 1.00 0.00 WAT +ATOM 7201 H2 TIP3 297 -11.022 -36.613 -40.290 1.00 0.00 WAT +ATOM 7202 OH2 TIP3 298 -20.780 -32.704 -33.783 1.00 0.00 WAT +ATOM 7203 H1 TIP3 298 -20.220 -32.815 -34.570 1.00 0.00 WAT +ATOM 7204 H2 TIP3 298 -20.680 -33.564 -33.341 1.00 0.00 WAT +ATOM 7205 OH2 TIP3 299 -13.426 -30.758 -40.641 1.00 0.00 WAT +ATOM 7206 H1 TIP3 299 -13.743 -29.870 -40.377 1.00 0.00 WAT +ATOM 7207 H2 TIP3 299 -14.225 -31.285 -40.469 1.00 0.00 WAT +ATOM 7208 OH2 TIP3 300 -23.534 -34.429 -28.517 1.00 0.00 WAT +ATOM 7209 H1 TIP3 300 -23.365 -34.872 -27.661 1.00 0.00 WAT +ATOM 7210 H2 TIP3 300 -24.123 -35.057 -28.968 1.00 0.00 WAT +ATOM 7211 OH2 TIP3 301 -16.549 -34.914 -26.540 1.00 0.00 WAT +ATOM 7212 H1 TIP3 301 -16.896 -35.177 -27.409 1.00 0.00 WAT +ATOM 7213 H2 TIP3 301 -15.621 -35.201 -26.622 1.00 0.00 WAT +ATOM 7214 OH2 TIP3 302 -12.008 -29.477 -28.812 1.00 0.00 WAT +ATOM 7215 H1 TIP3 302 -12.976 -29.415 -28.877 1.00 0.00 WAT +ATOM 7216 H2 TIP3 302 -11.859 -29.245 -27.880 1.00 0.00 WAT +ATOM 7217 OH2 TIP3 303 -6.404 -37.350 -39.976 1.00 0.00 WAT +ATOM 7218 H1 TIP3 303 -7.037 -37.599 -40.678 1.00 0.00 WAT +ATOM 7219 H2 TIP3 303 -6.348 -36.401 -40.178 1.00 0.00 WAT +ATOM 7220 OH2 TIP3 304 -6.025 -31.398 -27.230 1.00 0.00 WAT +ATOM 7221 H1 TIP3 304 -6.963 -31.190 -27.431 1.00 0.00 WAT +ATOM 7222 H2 TIP3 304 -5.683 -31.578 -28.125 1.00 0.00 WAT +ATOM 7223 OH2 TIP3 305 -8.175 -28.815 -39.871 1.00 0.00 WAT +ATOM 7224 H1 TIP3 305 -8.518 -29.593 -39.411 1.00 0.00 WAT +ATOM 7225 H2 TIP3 305 -7.912 -29.169 -40.737 1.00 0.00 WAT +ATOM 7226 OH2 TIP3 306 -11.032 -33.505 -32.569 1.00 0.00 WAT +ATOM 7227 H1 TIP3 306 -11.970 -33.657 -32.795 1.00 0.00 WAT +ATOM 7228 H2 TIP3 306 -10.607 -34.232 -33.064 1.00 0.00 WAT +ATOM 7229 OH2 TIP3 307 -18.404 -29.423 -36.526 1.00 0.00 WAT +ATOM 7230 H1 TIP3 307 -17.987 -28.555 -36.653 1.00 0.00 WAT +ATOM 7231 H2 TIP3 307 -19.320 -29.236 -36.763 1.00 0.00 WAT +ATOM 7232 OH2 TIP3 308 -22.340 -34.508 -41.983 1.00 0.00 WAT +ATOM 7233 H1 TIP3 308 -21.777 -33.845 -41.539 1.00 0.00 WAT +ATOM 7234 H2 TIP3 308 -23.229 -34.273 -41.657 1.00 0.00 WAT +ATOM 7235 OH2 TIP3 309 -16.574 -31.731 -36.903 1.00 0.00 WAT +ATOM 7236 H1 TIP3 309 -16.871 -30.817 -36.757 1.00 0.00 WAT +ATOM 7237 H2 TIP3 309 -17.284 -32.228 -36.471 1.00 0.00 WAT +ATOM 7238 OH2 TIP3 310 -16.409 -27.470 -30.552 1.00 0.00 WAT +ATOM 7239 H1 TIP3 310 -15.851 -26.723 -30.825 1.00 0.00 WAT +ATOM 7240 H2 TIP3 310 -15.800 -27.963 -29.977 1.00 0.00 WAT +ATOM 7241 OH2 TIP3 311 -17.962 -26.530 -37.296 1.00 0.00 WAT +ATOM 7242 H1 TIP3 311 -18.920 -26.379 -37.257 1.00 0.00 WAT +ATOM 7243 H2 TIP3 311 -17.617 -25.644 -37.078 1.00 0.00 WAT +ATOM 7244 OH2 TIP3 312 -12.998 -31.719 -30.979 1.00 0.00 WAT +ATOM 7245 H1 TIP3 312 -13.298 -31.994 -30.094 1.00 0.00 WAT +ATOM 7246 H2 TIP3 312 -12.268 -32.337 -31.144 1.00 0.00 WAT +ATOM 7247 OH2 TIP3 313 -10.858 -30.334 -41.991 1.00 0.00 WAT +ATOM 7248 H1 TIP3 313 -10.364 -30.791 -41.285 1.00 0.00 WAT +ATOM 7249 H2 TIP3 313 -11.764 -30.509 -41.679 1.00 0.00 WAT +ATOM 7250 OH2 TIP3 314 -10.039 -27.155 -28.599 1.00 0.00 WAT +ATOM 7251 H1 TIP3 314 -10.808 -27.612 -28.993 1.00 0.00 WAT +ATOM 7252 H2 TIP3 314 -9.969 -26.353 -29.148 1.00 0.00 WAT +ATOM 7253 OH2 TIP3 315 -5.944 -25.933 -41.528 1.00 0.00 WAT +ATOM 7254 H1 TIP3 315 -5.255 -25.248 -41.393 1.00 0.00 WAT +ATOM 7255 H2 TIP3 315 -6.756 -25.408 -41.366 1.00 0.00 WAT +ATOM 7256 OH2 TIP3 316 -22.189 -39.614 -28.942 1.00 0.00 WAT +ATOM 7257 H1 TIP3 316 -23.105 -39.436 -29.246 1.00 0.00 WAT +ATOM 7258 H2 TIP3 316 -22.341 -40.469 -28.483 1.00 0.00 WAT +ATOM 7259 OH2 TIP3 317 -9.833 -31.848 -39.731 1.00 0.00 WAT +ATOM 7260 H1 TIP3 317 -10.144 -32.507 -39.084 1.00 0.00 WAT +ATOM 7261 H2 TIP3 317 -8.871 -31.867 -39.579 1.00 0.00 WAT +ATOM 7262 OH2 TIP3 318 -22.436 -28.029 -30.509 1.00 0.00 WAT +ATOM 7263 H1 TIP3 318 -22.151 -28.938 -30.330 1.00 0.00 WAT +ATOM 7264 H2 TIP3 318 -22.242 -27.617 -29.657 1.00 0.00 WAT +ATOM 7265 OH2 TIP3 319 -16.270 -29.506 -43.281 1.00 0.00 WAT +ATOM 7266 H1 TIP3 319 -15.965 -30.407 -43.514 1.00 0.00 WAT +ATOM 7267 H2 TIP3 319 -16.849 -29.695 -42.522 1.00 0.00 WAT +ATOM 7268 OH2 TIP3 320 -17.793 -29.856 -40.758 1.00 0.00 WAT +ATOM 7269 H1 TIP3 320 -17.259 -30.364 -40.130 1.00 0.00 WAT +ATOM 7270 H2 TIP3 320 -17.591 -28.933 -40.501 1.00 0.00 WAT +ATOM 7271 OH2 TIP3 321 -20.910 -32.484 -40.334 1.00 0.00 WAT +ATOM 7272 H1 TIP3 321 -21.670 -32.064 -39.882 1.00 0.00 WAT +ATOM 7273 H2 TIP3 321 -20.472 -31.704 -40.712 1.00 0.00 WAT +ATOM 7274 OH2 TIP3 322 -13.296 -40.077 -30.263 1.00 0.00 WAT +ATOM 7275 H1 TIP3 322 -12.669 -39.819 -29.574 1.00 0.00 WAT +ATOM 7276 H2 TIP3 322 -13.660 -40.916 -29.924 1.00 0.00 WAT +ATOM 7277 OH2 TIP3 323 -12.525 -40.489 -39.218 1.00 0.00 WAT +ATOM 7278 H1 TIP3 323 -12.319 -39.906 -39.965 1.00 0.00 WAT +ATOM 7279 H2 TIP3 323 -12.137 -40.002 -38.474 1.00 0.00 WAT +ATOM 7280 OH2 TIP3 324 -14.825 -28.255 -40.254 1.00 0.00 WAT +ATOM 7281 H1 TIP3 324 -15.634 -27.756 -40.052 1.00 0.00 WAT +ATOM 7282 H2 TIP3 324 -14.345 -27.617 -40.797 1.00 0.00 WAT +ATOM 7283 OH2 TIP3 325 -15.183 -38.493 -38.125 1.00 0.00 WAT +ATOM 7284 H1 TIP3 325 -14.416 -37.904 -37.979 1.00 0.00 WAT +ATOM 7285 H2 TIP3 325 -15.482 -38.662 -37.208 1.00 0.00 WAT +ATOM 7286 OH2 TIP3 326 -14.813 -37.593 -29.010 1.00 0.00 WAT +ATOM 7287 H1 TIP3 326 -14.755 -37.100 -28.173 1.00 0.00 WAT +ATOM 7288 H2 TIP3 326 -14.279 -38.374 -28.819 1.00 0.00 WAT +ATOM 7289 OH2 TIP3 327 -14.416 -41.711 -37.139 1.00 0.00 WAT +ATOM 7290 H1 TIP3 327 -14.754 -40.965 -36.617 1.00 0.00 WAT +ATOM 7291 H2 TIP3 327 -13.887 -41.256 -37.818 1.00 0.00 WAT +ATOM 7292 OH2 TIP3 328 -17.556 -27.088 -40.235 1.00 0.00 WAT +ATOM 7293 H1 TIP3 328 -17.653 -26.255 -40.742 1.00 0.00 WAT +ATOM 7294 H2 TIP3 328 -17.762 -26.789 -39.332 1.00 0.00 WAT +ATOM 7295 OH2 TIP3 329 -18.889 -40.432 -40.745 1.00 0.00 WAT +ATOM 7296 H1 TIP3 329 -18.944 -39.664 -40.154 1.00 0.00 WAT +ATOM 7297 H2 TIP3 329 -18.057 -40.836 -40.437 1.00 0.00 WAT +ATOM 7298 OH2 TIP3 330 -8.451 -39.619 -28.186 1.00 0.00 WAT +ATOM 7299 H1 TIP3 330 -9.419 -39.519 -28.270 1.00 0.00 WAT +ATOM 7300 H2 TIP3 330 -8.264 -39.916 -29.089 1.00 0.00 WAT +ATOM 7301 OH2 TIP3 331 -10.020 -35.736 -34.126 1.00 0.00 WAT +ATOM 7302 H1 TIP3 331 -10.850 -36.187 -34.370 1.00 0.00 WAT +ATOM 7303 H2 TIP3 331 -9.540 -36.446 -33.642 1.00 0.00 WAT +ATOM 7304 OH2 TIP3 332 -20.557 -29.499 -41.545 1.00 0.00 WAT +ATOM 7305 H1 TIP3 332 -19.707 -29.235 -41.151 1.00 0.00 WAT +ATOM 7306 H2 TIP3 332 -20.252 -29.954 -42.346 1.00 0.00 WAT +ATOM 7307 OH2 TIP3 333 -22.279 -37.336 -42.512 1.00 0.00 WAT +ATOM 7308 H1 TIP3 333 -22.139 -36.378 -42.376 1.00 0.00 WAT +ATOM 7309 H2 TIP3 333 -23.172 -37.345 -42.896 1.00 0.00 WAT +ATOM 7310 OH2 TIP3 334 -9.007 -26.900 -32.698 1.00 0.00 WAT +ATOM 7311 H1 TIP3 334 -9.199 -26.087 -33.205 1.00 0.00 WAT +ATOM 7312 H2 TIP3 334 -8.084 -26.731 -32.448 1.00 0.00 WAT +ATOM 7313 OH2 TIP3 335 -22.208 -42.418 -33.533 1.00 0.00 WAT +ATOM 7314 H1 TIP3 335 -21.798 -42.435 -34.407 1.00 0.00 WAT +ATOM 7315 H2 TIP3 335 -22.007 -43.324 -33.250 1.00 0.00 WAT +ATOM 7316 OH2 TIP3 336 -22.500 -28.832 -37.433 1.00 0.00 WAT +ATOM 7317 H1 TIP3 336 -23.313 -28.340 -37.272 1.00 0.00 WAT +ATOM 7318 H2 TIP3 336 -22.136 -28.371 -38.202 1.00 0.00 WAT +ATOM 7319 OH2 TIP3 337 -23.107 -25.981 -26.301 1.00 0.00 WAT +ATOM 7320 H1 TIP3 337 -22.535 -26.248 -25.555 1.00 0.00 WAT +ATOM 7321 H2 TIP3 337 -23.502 -26.838 -26.557 1.00 0.00 WAT +ATOM 7322 OH2 TIP3 338 -18.394 -26.890 -24.515 1.00 0.00 WAT +ATOM 7323 H1 TIP3 338 -17.736 -27.559 -24.278 1.00 0.00 WAT +ATOM 7324 H2 TIP3 338 -18.647 -27.180 -25.407 1.00 0.00 WAT +ATOM 7325 OH2 TIP3 339 -14.182 -27.541 -43.257 1.00 0.00 WAT +ATOM 7326 H1 TIP3 339 -15.017 -28.051 -43.323 1.00 0.00 WAT +ATOM 7327 H2 TIP3 339 -13.549 -28.206 -43.560 1.00 0.00 WAT +ATOM 7328 OH2 TIP3 340 -11.925 -28.669 -25.941 1.00 0.00 WAT +ATOM 7329 H1 TIP3 340 -12.347 -29.460 -25.558 1.00 0.00 WAT +ATOM 7330 H2 TIP3 340 -11.265 -28.438 -25.265 1.00 0.00 WAT +ATOM 7331 OH2 TIP3 341 -10.569 -27.567 -42.776 1.00 0.00 WAT +ATOM 7332 H1 TIP3 341 -10.572 -28.509 -42.525 1.00 0.00 WAT +ATOM 7333 H2 TIP3 341 -9.910 -27.511 -43.472 1.00 0.00 WAT +ATOM 7334 OH2 TIP3 342 -23.151 -32.349 -25.174 1.00 0.00 WAT +ATOM 7335 H1 TIP3 342 -23.073 -33.261 -25.497 1.00 0.00 WAT +ATOM 7336 H2 TIP3 342 -23.927 -32.041 -25.681 1.00 0.00 WAT +ATOM 7337 OH2 TIP3 343 -18.994 -32.041 -43.080 1.00 0.00 WAT +ATOM 7338 H1 TIP3 343 -18.544 -32.438 -42.323 1.00 0.00 WAT +ATOM 7339 H2 TIP3 343 -18.281 -31.791 -43.702 1.00 0.00 WAT +ATOM 7340 OH2 TIP3 344 -16.505 -32.151 -25.834 1.00 0.00 WAT +ATOM 7341 H1 TIP3 344 -16.842 -31.831 -26.687 1.00 0.00 WAT +ATOM 7342 H2 TIP3 344 -16.454 -33.120 -25.972 1.00 0.00 WAT +ATOM 7343 OH2 TIP3 345 -13.349 -30.810 42.956 1.00 0.00 WAT +ATOM 7344 H1 TIP3 345 -13.457 -30.638 43.893 1.00 0.00 WAT +ATOM 7345 H2 TIP3 345 -13.421 -31.769 42.903 1.00 0.00 WAT +ATOM 7346 OH2 TIP3 346 -11.157 -32.546 -28.443 1.00 0.00 WAT +ATOM 7347 H1 TIP3 346 -10.390 -31.980 -28.618 1.00 0.00 WAT +ATOM 7348 H2 TIP3 346 -11.878 -31.895 -28.445 1.00 0.00 WAT +ATOM 7349 OH2 TIP3 347 -22.294 -35.223 -25.998 1.00 0.00 WAT +ATOM 7350 H1 TIP3 347 -21.555 -35.855 -25.983 1.00 0.00 WAT +ATOM 7351 H2 TIP3 347 -22.343 -34.990 -25.056 1.00 0.00 WAT +ATOM 7352 OH2 TIP3 348 -17.839 -33.844 -40.931 1.00 0.00 WAT +ATOM 7353 H1 TIP3 348 -18.476 -34.259 -40.329 1.00 0.00 WAT +ATOM 7354 H2 TIP3 348 -17.535 -34.612 -41.453 1.00 0.00 WAT +ATOM 7355 OH2 TIP3 349 -18.646 -36.092 -28.570 1.00 0.00 WAT +ATOM 7356 H1 TIP3 349 -19.177 -35.303 -28.355 1.00 0.00 WAT +ATOM 7357 H2 TIP3 349 -17.990 -35.723 -29.188 1.00 0.00 WAT +ATOM 7358 OH2 TIP3 350 -16.627 -35.706 -42.754 1.00 0.00 WAT +ATOM 7359 H1 TIP3 350 -16.645 -35.976 -43.684 1.00 0.00 WAT +ATOM 7360 H2 TIP3 350 -15.674 -35.809 -42.540 1.00 0.00 WAT +ATOM 7361 OH2 TIP3 351 -13.332 -33.378 -25.008 1.00 0.00 WAT +ATOM 7362 H1 TIP3 351 -12.432 -33.582 -25.300 1.00 0.00 WAT +ATOM 7363 H2 TIP3 351 -13.594 -34.211 -24.589 1.00 0.00 WAT +ATOM 7364 OH2 TIP3 352 -18.054 -38.790 -27.455 1.00 0.00 WAT +ATOM 7365 H1 TIP3 352 -17.972 -39.442 -28.170 1.00 0.00 WAT +ATOM 7366 H2 TIP3 352 -18.259 -37.976 -27.948 1.00 0.00 WAT +ATOM 7367 OH2 TIP3 353 -17.668 -40.371 -30.025 1.00 0.00 WAT +ATOM 7368 H1 TIP3 353 -17.145 -39.823 -30.645 1.00 0.00 WAT +ATOM 7369 H2 TIP3 353 -18.579 -40.269 -30.370 1.00 0.00 WAT +ATOM 7370 OH2 TIP3 354 -16.168 -34.875 -29.567 1.00 0.00 WAT +ATOM 7371 H1 TIP3 354 -15.331 -34.954 -30.047 1.00 0.00 WAT +ATOM 7372 H2 TIP3 354 -16.480 -33.999 -29.871 1.00 0.00 WAT +ATOM 7373 OH2 TIP3 355 -11.586 -36.931 -24.810 1.00 0.00 WAT +ATOM 7374 H1 TIP3 355 -11.407 -37.863 -24.604 1.00 0.00 WAT +ATOM 7375 H2 TIP3 355 -10.691 -36.560 -24.822 1.00 0.00 WAT +ATOM 7376 OH2 TIP3 356 -10.605 -34.143 -26.292 1.00 0.00 WAT +ATOM 7377 H1 TIP3 356 -10.962 -33.538 -26.976 1.00 0.00 WAT +ATOM 7378 H2 TIP3 356 -9.721 -34.315 -26.671 1.00 0.00 WAT +ATOM 7379 OH2 TIP3 357 -19.834 -36.958 -25.629 1.00 0.00 WAT +ATOM 7380 H1 TIP3 357 -20.360 -37.775 -25.608 1.00 0.00 WAT +ATOM 7381 H2 TIP3 357 -19.025 -37.261 -26.069 1.00 0.00 WAT +ATOM 7382 OH2 TIP3 358 -17.179 -42.779 -28.815 1.00 0.00 WAT +ATOM 7383 H1 TIP3 358 -17.069 -41.869 -29.163 1.00 0.00 WAT +ATOM 7384 H2 TIP3 358 -18.109 -42.917 -29.029 1.00 0.00 WAT +ATOM 7385 OH2 TIP3 359 -15.714 -38.431 -25.857 1.00 0.00 WAT +ATOM 7386 H1 TIP3 359 -16.018 -38.713 -24.975 1.00 0.00 WAT +ATOM 7387 H2 TIP3 359 -16.523 -38.633 -26.372 1.00 0.00 WAT +ATOM 7388 OH2 TIP3 360 -13.117 -39.442 -26.872 1.00 0.00 WAT +ATOM 7389 H1 TIP3 360 -14.009 -39.308 -26.500 1.00 0.00 WAT +ATOM 7390 H2 TIP3 360 -12.747 -40.097 -26.253 1.00 0.00 WAT +ATOM 7391 OH2 TIP3 361 -11.380 -41.361 -25.183 1.00 0.00 WAT +ATOM 7392 H1 TIP3 361 -11.546 -42.238 -24.814 1.00 0.00 WAT +ATOM 7393 H2 TIP3 361 -11.542 -40.774 -24.426 1.00 0.00 WAT +ATOM 7394 OH2 TIP3 362 -21.060 -39.586 -25.753 1.00 0.00 WAT +ATOM 7395 H1 TIP3 362 -21.312 -40.208 -26.457 1.00 0.00 WAT +ATOM 7396 H2 TIP3 362 -21.478 -39.983 -24.973 1.00 0.00 WAT +ATOM 7397 OH2 TIP3 363 -16.083 -41.448 -24.764 1.00 0.00 WAT +ATOM 7398 H1 TIP3 363 -16.308 -42.281 -25.220 1.00 0.00 WAT +ATOM 7399 H2 TIP3 363 -16.942 -40.999 -24.688 1.00 0.00 WAT +ATOM 7400 OH2 TIP3 364 -17.072 -24.516 -41.673 1.00 0.00 WAT +ATOM 7401 H1 TIP3 364 -16.105 -24.479 -41.660 1.00 0.00 WAT +ATOM 7402 H2 TIP3 364 -17.317 -24.001 -42.456 1.00 0.00 WAT +ATOM 7403 OH2 TIP3 365 -23.157 -30.598 -41.943 1.00 0.00 WAT +ATOM 7404 H1 TIP3 365 -22.292 -30.149 -41.960 1.00 0.00 WAT +ATOM 7405 H2 TIP3 365 -23.158 -31.071 -42.785 1.00 0.00 WAT +ATOM 7406 OH2 TIP3 366 -24.249 -24.980 -37.157 1.00 0.00 WAT +ATOM 7407 H1 TIP3 366 -24.962 -25.352 -37.708 1.00 0.00 WAT +ATOM 7408 H2 TIP3 366 -24.128 -25.683 -36.490 1.00 0.00 WAT +ATOM 7409 OH2 TIP3 367 -23.846 -26.974 -35.198 1.00 0.00 WAT +ATOM 7410 H1 TIP3 367 -24.126 -27.856 -34.902 1.00 0.00 WAT +ATOM 7411 H2 TIP3 367 -23.488 -26.635 -34.359 1.00 0.00 WAT +ATOM 7412 OH2 TIP3 368 -6.294 -25.743 -32.192 1.00 0.00 WAT +ATOM 7413 H1 TIP3 368 -6.144 -25.733 -31.235 1.00 0.00 WAT +ATOM 7414 H2 TIP3 368 -5.446 -25.416 -32.523 1.00 0.00 WAT +ATOM 7415 OH2 TIP3 369 -6.400 -26.277 -29.320 1.00 0.00 WAT +ATOM 7416 H1 TIP3 369 -6.919 -27.025 -29.670 1.00 0.00 WAT +ATOM 7417 H2 TIP3 369 -5.847 -26.739 -28.672 1.00 0.00 WAT +ATOM 7418 OH2 TIP3 370 -8.393 -30.849 -25.020 1.00 0.00 WAT +ATOM 7419 H1 TIP3 370 -9.282 -30.778 -24.632 1.00 0.00 WAT +ATOM 7420 H2 TIP3 370 -7.955 -30.038 -24.711 1.00 0.00 WAT +ATOM 7421 OH2 TIP3 371 -6.973 -32.111 -39.274 1.00 0.00 WAT +ATOM 7422 H1 TIP3 371 -6.094 -31.702 -39.136 1.00 0.00 WAT +ATOM 7423 H2 TIP3 371 -7.031 -32.666 -38.482 1.00 0.00 WAT +ATOM 7424 OH2 TIP3 372 -6.267 -34.065 -37.021 1.00 0.00 WAT +ATOM 7425 H1 TIP3 372 -7.091 -34.537 -36.789 1.00 0.00 WAT +ATOM 7426 H2 TIP3 372 -5.774 -34.095 -36.195 1.00 0.00 WAT +ATOM 7427 OH2 TIP3 373 -6.730 -31.571 -32.329 1.00 0.00 WAT +ATOM 7428 H1 TIP3 373 -6.115 -31.965 -32.967 1.00 0.00 WAT +ATOM 7429 H2 TIP3 373 -6.724 -30.638 -32.605 1.00 0.00 WAT +ATOM 7430 OH2 TIP3 374 -8.106 -28.584 -30.094 1.00 0.00 WAT +ATOM 7431 H1 TIP3 374 -8.828 -28.159 -29.596 1.00 0.00 WAT +ATOM 7432 H2 TIP3 374 -8.575 -28.921 -30.882 1.00 0.00 WAT +ATOM 7433 OH2 TIP3 375 -6.245 -34.311 -41.133 1.00 0.00 WAT +ATOM 7434 H1 TIP3 375 -6.973 -34.079 -41.732 1.00 0.00 WAT +ATOM 7435 H2 TIP3 375 -6.403 -33.656 -40.429 1.00 0.00 WAT +ATOM 7436 OH2 TIP3 376 -8.037 -36.965 -42.147 1.00 0.00 WAT +ATOM 7437 H1 TIP3 376 -7.805 -36.249 -42.760 1.00 0.00 WAT +ATOM 7438 H2 TIP3 376 -7.706 -37.740 -42.610 1.00 0.00 WAT +ATOM 7439 OH2 TIP3 377 -8.507 -35.775 -36.509 1.00 0.00 WAT +ATOM 7440 H1 TIP3 377 -8.607 -36.718 -36.723 1.00 0.00 WAT +ATOM 7441 H2 TIP3 377 -8.942 -35.715 -35.635 1.00 0.00 WAT +ATOM 7442 OH2 TIP3 378 -23.764 -33.627 -32.799 1.00 0.00 WAT +ATOM 7443 H1 TIP3 378 -23.507 -33.590 -33.735 1.00 0.00 WAT +ATOM 7444 H2 TIP3 378 -22.903 -33.858 -32.389 1.00 0.00 WAT +ATOM 7445 OH2 TIP3 379 -7.996 -33.934 -27.382 1.00 0.00 WAT +ATOM 7446 H1 TIP3 379 -7.267 -34.554 -27.192 1.00 0.00 WAT +ATOM 7447 H2 TIP3 379 -7.533 -33.099 -27.527 1.00 0.00 WAT +ATOM 7448 OH2 TIP3 380 -6.444 -35.834 -26.141 1.00 0.00 WAT +ATOM 7449 H1 TIP3 380 -7.238 -36.362 -26.375 1.00 0.00 WAT +ATOM 7450 H2 TIP3 380 -5.754 -36.523 -26.158 1.00 0.00 WAT +ATOM 7451 OH2 TIP3 381 -8.855 -40.199 -43.396 1.00 0.00 WAT +ATOM 7452 H1 TIP3 381 -8.268 -40.448 -42.675 1.00 0.00 WAT +ATOM 7453 H2 TIP3 381 -9.737 -40.479 -43.102 1.00 0.00 WAT +ATOM 7454 OH2 TIP3 382 -8.818 -38.231 -38.333 1.00 0.00 WAT +ATOM 7455 H1 TIP3 382 -8.643 -39.198 -38.248 1.00 0.00 WAT +ATOM 7456 H2 TIP3 382 -7.973 -37.933 -38.706 1.00 0.00 WAT +ATOM 7457 OH2 TIP3 383 -8.507 -37.702 -32.919 1.00 0.00 WAT +ATOM 7458 H1 TIP3 383 -7.529 -37.721 -32.924 1.00 0.00 WAT +ATOM 7459 H2 TIP3 383 -8.666 -37.770 -31.962 1.00 0.00 WAT +ATOM 7460 OH2 TIP3 384 -8.363 -37.045 -30.067 1.00 0.00 WAT +ATOM 7461 H1 TIP3 384 -9.214 -36.651 -29.798 1.00 0.00 WAT +ATOM 7462 H2 TIP3 384 -7.836 -36.258 -30.281 1.00 0.00 WAT +ATOM 7463 OH2 TIP3 385 -23.916 -38.356 -26.288 1.00 0.00 WAT +ATOM 7464 H1 TIP3 385 -22.985 -38.580 -26.426 1.00 0.00 WAT +ATOM 7465 H2 TIP3 385 -24.339 -39.229 -26.296 1.00 0.00 WAT +ATOM 7466 OH2 TIP3 386 -6.193 -42.750 -24.282 1.00 0.00 WAT +ATOM 7467 H1 TIP3 386 -5.731 -43.564 -24.513 1.00 0.00 WAT +ATOM 7468 H2 TIP3 386 -6.181 -42.181 -25.084 1.00 0.00 WAT +ATOM 7469 OH2 TIP3 387 -8.496 -40.947 -38.219 1.00 0.00 WAT +ATOM 7470 H1 TIP3 387 -8.205 -41.478 -37.463 1.00 0.00 WAT +ATOM 7471 H2 TIP3 387 -9.102 -41.574 -38.657 1.00 0.00 WAT +ATOM 7472 OH2 TIP3 388 -23.159 -39.895 -33.602 1.00 0.00 WAT +ATOM 7473 H1 TIP3 388 -22.850 -40.823 -33.496 1.00 0.00 WAT +ATOM 7474 H2 TIP3 388 -22.407 -39.401 -33.225 1.00 0.00 WAT +ATOM 7475 OH2 TIP3 389 -24.558 -37.270 -32.584 1.00 0.00 WAT +ATOM 7476 H1 TIP3 389 -23.947 -37.330 -33.334 1.00 0.00 WAT +ATOM 7477 H2 TIP3 389 -24.171 -36.542 -32.082 1.00 0.00 WAT +ATOM 7478 OH2 TIP3 390 -6.418 -41.108 -26.453 1.00 0.00 WAT +ATOM 7479 H1 TIP3 390 -7.274 -40.646 -26.375 1.00 0.00 WAT +ATOM 7480 H2 TIP3 390 -6.521 -41.480 -27.347 1.00 0.00 WAT +ATOM 7481 OH2 TIP3 391 -6.309 -40.727 -41.738 1.00 0.00 WAT +ATOM 7482 H1 TIP3 391 -6.052 -41.447 -42.325 1.00 0.00 WAT +ATOM 7483 H2 TIP3 391 -5.484 -40.215 -41.663 1.00 0.00 WAT +ATOM 7484 OH2 TIP3 392 -24.000 -41.008 -38.529 1.00 0.00 WAT +ATOM 7485 H1 TIP3 392 -24.952 -40.950 -38.717 1.00 0.00 WAT +ATOM 7486 H2 TIP3 392 -23.618 -40.331 -39.125 1.00 0.00 WAT +ATOM 7487 OH2 TIP3 393 -9.426 -25.716 -36.405 1.00 0.00 WAT +ATOM 7488 H1 TIP3 393 -8.945 -25.947 -37.216 1.00 0.00 WAT +ATOM 7489 H2 TIP3 393 -8.736 -25.303 -35.873 1.00 0.00 WAT +ATOM 7490 OH2 TIP3 394 -24.235 -41.268 -30.003 1.00 0.00 WAT +ATOM 7491 H1 TIP3 394 -24.246 -42.204 -29.721 1.00 0.00 WAT +ATOM 7492 H2 TIP3 394 -24.429 -41.356 -30.946 1.00 0.00 WAT +ATOM 7493 OH2 TIP3 395 -22.007 -28.952 -25.679 1.00 0.00 WAT +ATOM 7494 H1 TIP3 395 -22.753 -28.975 -26.296 1.00 0.00 WAT +ATOM 7495 H2 TIP3 395 -22.447 -29.028 -24.820 1.00 0.00 WAT +ATOM 7496 OH2 TIP3 396 -19.170 -27.987 -30.004 1.00 0.00 WAT +ATOM 7497 H1 TIP3 396 -19.481 -27.131 -30.344 1.00 0.00 WAT +ATOM 7498 H2 TIP3 396 -18.211 -27.892 -30.174 1.00 0.00 WAT +ATOM 7499 OH2 TIP3 397 -14.657 -26.685 -26.988 1.00 0.00 WAT +ATOM 7500 H1 TIP3 397 -14.532 -26.841 -26.038 1.00 0.00 WAT +ATOM 7501 H2 TIP3 397 -13.826 -26.228 -27.227 1.00 0.00 WAT +ATOM 7502 OH2 TIP3 398 -12.362 -25.212 -27.740 1.00 0.00 WAT +ATOM 7503 H1 TIP3 398 -11.686 -25.872 -27.955 1.00 0.00 WAT +ATOM 7504 H2 TIP3 398 -12.069 -24.918 -26.855 1.00 0.00 WAT +ATOM 7505 OH2 TIP3 399 -7.783 -42.746 -28.540 1.00 0.00 WAT +ATOM 7506 H1 TIP3 399 -8.306 -42.156 -29.111 1.00 0.00 WAT +ATOM 7507 H2 TIP3 399 -7.570 -43.442 -29.183 1.00 0.00 WAT +ATOM 7508 OH2 TIP3 400 -21.796 -25.026 -29.671 1.00 0.00 WAT +ATOM 7509 H1 TIP3 400 -22.399 -24.390 -30.096 1.00 0.00 WAT +ATOM 7510 H2 TIP3 400 -22.111 -24.986 -28.759 1.00 0.00 WAT +ATOM 7511 OH2 TIP3 401 -19.299 -25.248 -31.106 1.00 0.00 WAT +ATOM 7512 H1 TIP3 401 -20.157 -25.074 -30.670 1.00 0.00 WAT +ATOM 7513 H2 TIP3 401 -19.273 -24.558 -31.793 1.00 0.00 WAT +ATOM 7514 OH2 TIP3 402 -14.551 -25.257 -31.552 1.00 0.00 WAT +ATOM 7515 H1 TIP3 402 -14.937 -24.811 -32.328 1.00 0.00 WAT +ATOM 7516 H2 TIP3 402 -14.476 -24.515 -30.922 1.00 0.00 WAT +ATOM 7517 OH2 TIP3 403 -12.221 -26.538 -30.632 1.00 0.00 WAT +ATOM 7518 H1 TIP3 403 -13.070 -26.185 -30.960 1.00 0.00 WAT +ATOM 7519 H2 TIP3 403 -11.667 -25.745 -30.648 1.00 0.00 WAT +ATOM 7520 OH2 TIP3 404 -9.679 -24.808 -30.443 1.00 0.00 WAT +ATOM 7521 H1 TIP3 404 -9.738 -23.856 -30.657 1.00 0.00 WAT +ATOM 7522 H2 TIP3 404 -9.416 -25.166 -31.307 1.00 0.00 WAT +ATOM 7523 OH2 TIP3 405 -22.224 -26.230 -32.719 1.00 0.00 WAT +ATOM 7524 H1 TIP3 405 -22.236 -26.718 -31.865 1.00 0.00 WAT +ATOM 7525 H2 TIP3 405 -21.464 -26.665 -33.157 1.00 0.00 WAT +ATOM 7526 OH2 TIP3 406 -20.202 -27.467 -34.271 1.00 0.00 WAT +ATOM 7527 H1 TIP3 406 -20.355 -28.401 -34.017 1.00 0.00 WAT +ATOM 7528 H2 TIP3 406 -19.285 -27.326 -33.964 1.00 0.00 WAT +ATOM 7529 OH2 TIP3 407 -17.432 -27.008 -33.393 1.00 0.00 WAT +ATOM 7530 H1 TIP3 407 -17.251 -27.938 -33.618 1.00 0.00 WAT +ATOM 7531 H2 TIP3 407 -17.374 -27.047 -32.425 1.00 0.00 WAT +ATOM 7532 OH2 TIP3 408 -14.152 -41.122 -34.118 1.00 0.00 WAT +ATOM 7533 H1 TIP3 408 -14.769 -41.823 -33.828 1.00 0.00 WAT +ATOM 7534 H2 TIP3 408 -13.544 -41.617 -34.687 1.00 0.00 WAT +ATOM 7535 OH2 TIP3 409 -8.848 -43.267 -33.631 1.00 0.00 WAT +ATOM 7536 H1 TIP3 409 -8.262 -42.896 -34.312 1.00 0.00 WAT +ATOM 7537 H2 TIP3 409 -9.729 -43.073 -33.977 1.00 0.00 WAT +ATOM 7538 OH2 TIP3 410 -6.911 -42.241 -35.826 1.00 0.00 WAT +ATOM 7539 H1 TIP3 410 -6.371 -42.480 -36.588 1.00 0.00 WAT +ATOM 7540 H2 TIP3 410 -6.717 -41.294 -35.719 1.00 0.00 WAT +ATOM 7541 OH2 TIP3 411 -21.792 -42.818 -36.778 1.00 0.00 WAT +ATOM 7542 H1 TIP3 411 -22.700 -43.062 -36.988 1.00 0.00 WAT +ATOM 7543 H2 TIP3 411 -21.431 -43.635 -36.421 1.00 0.00 WAT +ATOM 7544 OH2 TIP3 412 -23.179 -42.823 -40.682 1.00 0.00 WAT +ATOM 7545 H1 TIP3 412 -22.659 -42.314 -41.338 1.00 0.00 WAT +ATOM 7546 H2 TIP3 412 -23.520 -42.113 -40.115 1.00 0.00 WAT +ATOM 7547 OH2 TIP3 413 -17.293 -42.262 -36.523 1.00 0.00 WAT +ATOM 7548 H1 TIP3 413 -16.349 -42.346 -36.720 1.00 0.00 WAT +ATOM 7549 H2 TIP3 413 -17.432 -42.928 -35.841 1.00 0.00 WAT +ATOM 7550 OH2 TIP3 414 -11.724 -42.643 -35.156 1.00 0.00 WAT +ATOM 7551 H1 TIP3 414 -11.409 -42.627 -36.069 1.00 0.00 WAT +ATOM 7552 H2 TIP3 414 -11.879 -43.584 -34.989 1.00 0.00 WAT +ATOM 7553 OH2 TIP3 415 -10.673 -42.704 -39.150 1.00 0.00 WAT +ATOM 7554 H1 TIP3 415 -11.413 -42.149 -39.461 1.00 0.00 WAT +ATOM 7555 H2 TIP3 415 -11.036 -43.598 -39.194 1.00 0.00 WAT +ATOM 7556 OH2 TIP3 416 -22.950 -26.993 -39.600 1.00 0.00 WAT +ATOM 7557 H1 TIP3 416 -23.610 -26.976 -40.314 1.00 0.00 WAT +ATOM 7558 H2 TIP3 416 -22.821 -26.048 -39.460 1.00 0.00 WAT +ATOM 7559 OH2 TIP3 417 -21.285 -41.247 -42.232 1.00 0.00 WAT +ATOM 7560 H1 TIP3 417 -20.657 -41.633 -42.860 1.00 0.00 WAT +ATOM 7561 H2 TIP3 417 -20.696 -40.630 -41.761 1.00 0.00 WAT +ATOM 7562 OH2 TIP3 418 -16.072 -40.572 -39.850 1.00 0.00 WAT +ATOM 7563 H1 TIP3 418 -15.975 -41.419 -39.366 1.00 0.00 WAT +ATOM 7564 H2 TIP3 418 -15.848 -39.906 -39.171 1.00 0.00 WAT +ATOM 7565 OH2 TIP3 419 -14.140 -25.305 -41.467 1.00 0.00 WAT +ATOM 7566 H1 TIP3 419 -13.167 -25.184 -41.453 1.00 0.00 WAT +ATOM 7567 H2 TIP3 419 -14.224 -25.935 -42.210 1.00 0.00 WAT +ATOM 7568 OH2 TIP3 420 -7.487 -26.143 -38.803 1.00 0.00 WAT +ATOM 7569 H1 TIP3 420 -7.783 -26.968 -39.242 1.00 0.00 WAT +ATOM 7570 H2 TIP3 420 -7.710 -25.468 -39.481 1.00 0.00 WAT +ATOM 7571 OH2 TIP3 421 -22.161 -41.781 -27.324 1.00 0.00 WAT +ATOM 7572 H1 TIP3 421 -22.618 -42.567 -26.992 1.00 0.00 WAT +ATOM 7573 H2 TIP3 421 -21.278 -42.166 -27.438 1.00 0.00 WAT +ATOM 7574 OH2 TIP3 422 -19.230 -42.790 -24.674 1.00 0.00 WAT +ATOM 7575 H1 TIP3 422 -18.360 -43.053 -25.050 1.00 0.00 WAT +ATOM 7576 H2 TIP3 422 -19.455 -43.571 -24.156 1.00 0.00 WAT +ATOM 7577 OH2 TIP3 423 -20.503 -25.633 -41.950 1.00 0.00 WAT +ATOM 7578 H1 TIP3 423 -21.456 -25.650 -41.820 1.00 0.00 WAT +ATOM 7579 H2 TIP3 423 -20.330 -26.466 -42.391 1.00 0.00 WAT +ATOM 7580 OH2 TIP3 424 -8.089 -27.342 -26.410 1.00 0.00 WAT +ATOM 7581 H1 TIP3 424 -8.826 -27.536 -27.019 1.00 0.00 WAT +ATOM 7582 H2 TIP3 424 -8.268 -26.405 -26.203 1.00 0.00 WAT +ATOM 7583 OH2 TIP3 425 6.139 -33.663 -36.295 1.00 0.00 WAT +ATOM 7584 H1 TIP3 425 6.108 -32.701 -36.168 1.00 0.00 WAT +ATOM 7585 H2 TIP3 425 5.350 -33.814 -36.832 1.00 0.00 WAT +ATOM 7586 OH2 TIP3 426 4.965 -34.215 -33.205 1.00 0.00 WAT +ATOM 7587 H1 TIP3 426 4.968 -34.753 -32.397 1.00 0.00 WAT +ATOM 7588 H2 TIP3 426 4.621 -34.872 -33.838 1.00 0.00 WAT +ATOM 7589 OH2 TIP3 427 -2.489 -34.524 -31.708 1.00 0.00 WAT +ATOM 7590 H1 TIP3 427 -2.613 -35.262 -31.082 1.00 0.00 WAT +ATOM 7591 H2 TIP3 427 -1.876 -33.973 -31.194 1.00 0.00 WAT +ATOM 7592 OH2 TIP3 428 8.641 -31.475 -34.880 1.00 0.00 WAT +ATOM 7593 H1 TIP3 428 8.272 -32.198 -34.355 1.00 0.00 WAT +ATOM 7594 H2 TIP3 428 8.936 -30.872 -34.184 1.00 0.00 WAT +ATOM 7595 OH2 TIP3 429 -1.847 -30.143 -33.180 1.00 0.00 WAT +ATOM 7596 H1 TIP3 429 -2.126 -31.061 -33.227 1.00 0.00 WAT +ATOM 7597 H2 TIP3 429 -0.938 -30.225 -32.843 1.00 0.00 WAT +ATOM 7598 OH2 TIP3 430 -4.978 -36.581 -37.411 1.00 0.00 WAT +ATOM 7599 H1 TIP3 430 -5.353 -35.698 -37.556 1.00 0.00 WAT +ATOM 7600 H2 TIP3 430 -5.538 -37.133 -37.970 1.00 0.00 WAT +ATOM 7601 OH2 TIP3 431 5.692 -26.129 -34.315 1.00 0.00 WAT +ATOM 7602 H1 TIP3 431 6.278 -26.841 -34.633 1.00 0.00 WAT +ATOM 7603 H2 TIP3 431 5.437 -26.458 -33.443 1.00 0.00 WAT +ATOM 7604 OH2 TIP3 432 3.445 -31.707 -32.627 1.00 0.00 WAT +ATOM 7605 H1 TIP3 432 3.768 -32.434 -33.188 1.00 0.00 WAT +ATOM 7606 H2 TIP3 432 4.260 -31.553 -32.109 1.00 0.00 WAT +ATOM 7607 OH2 TIP3 433 12.015 -40.169 -32.070 1.00 0.00 WAT +ATOM 7608 H1 TIP3 433 12.338 -39.718 -31.274 1.00 0.00 WAT +ATOM 7609 H2 TIP3 433 12.668 -39.864 -32.725 1.00 0.00 WAT +ATOM 7610 OH2 TIP3 434 6.749 -37.389 -32.116 1.00 0.00 WAT +ATOM 7611 H1 TIP3 434 6.923 -38.346 -32.103 1.00 0.00 WAT +ATOM 7612 H2 TIP3 434 6.595 -37.242 -33.064 1.00 0.00 WAT +ATOM 7613 OH2 TIP3 435 7.574 -39.222 -36.719 1.00 0.00 WAT +ATOM 7614 H1 TIP3 435 8.149 -39.678 -36.071 1.00 0.00 WAT +ATOM 7615 H2 TIP3 435 8.234 -38.777 -37.271 1.00 0.00 WAT +ATOM 7616 OH2 TIP3 436 -3.468 -36.151 -34.572 1.00 0.00 WAT +ATOM 7617 H1 TIP3 436 -2.926 -36.835 -34.146 1.00 0.00 WAT +ATOM 7618 H2 TIP3 436 -3.615 -36.559 -35.448 1.00 0.00 WAT +ATOM 7619 OH2 TIP3 437 12.948 -38.475 -29.413 1.00 0.00 WAT +ATOM 7620 H1 TIP3 437 12.188 -37.970 -29.749 1.00 0.00 WAT +ATOM 7621 H2 TIP3 437 12.560 -38.905 -28.643 1.00 0.00 WAT +ATOM 7622 OH2 TIP3 438 -1.483 -40.488 -30.958 1.00 0.00 WAT +ATOM 7623 H1 TIP3 438 -1.767 -39.915 -31.692 1.00 0.00 WAT +ATOM 7624 H2 TIP3 438 -2.159 -40.276 -30.281 1.00 0.00 WAT +ATOM 7625 OH2 TIP3 439 5.994 -30.826 -37.489 1.00 0.00 WAT +ATOM 7626 H1 TIP3 439 5.708 -31.041 -38.379 1.00 0.00 WAT +ATOM 7627 H2 TIP3 439 5.566 -29.968 -37.325 1.00 0.00 WAT +ATOM 7628 OH2 TIP3 440 1.453 -32.702 -30.730 1.00 0.00 WAT +ATOM 7629 H1 TIP3 440 0.710 -32.095 -30.537 1.00 0.00 WAT +ATOM 7630 H2 TIP3 440 2.081 -32.122 -31.198 1.00 0.00 WAT +ATOM 7631 OH2 TIP3 441 9.516 -40.113 -34.694 1.00 0.00 WAT +ATOM 7632 H1 TIP3 441 9.035 -40.667 -34.065 1.00 0.00 WAT +ATOM 7633 H2 TIP3 441 9.969 -39.491 -34.100 1.00 0.00 WAT +ATOM 7634 OH2 TIP3 442 -1.595 -38.725 -33.236 1.00 0.00 WAT +ATOM 7635 H1 TIP3 442 -1.007 -38.056 -32.824 1.00 0.00 WAT +ATOM 7636 H2 TIP3 442 -1.131 -38.789 -34.089 1.00 0.00 WAT +ATOM 7637 OH2 TIP3 443 -0.621 -30.828 -30.164 1.00 0.00 WAT +ATOM 7638 H1 TIP3 443 -0.597 -29.867 -30.337 1.00 0.00 WAT +ATOM 7639 H2 TIP3 443 -1.431 -30.889 -29.622 1.00 0.00 WAT +ATOM 7640 OH2 TIP3 444 -4.273 -31.134 -39.136 1.00 0.00 WAT +ATOM 7641 H1 TIP3 444 -4.428 -30.760 -40.029 1.00 0.00 WAT +ATOM 7642 H2 TIP3 444 -4.114 -30.347 -38.578 1.00 0.00 WAT +ATOM 7643 OH2 TIP3 445 9.200 -29.678 -32.399 1.00 0.00 WAT +ATOM 7644 H1 TIP3 445 8.234 -29.551 -32.365 1.00 0.00 WAT +ATOM 7645 H2 TIP3 445 9.485 -28.815 -32.750 1.00 0.00 WAT +ATOM 7646 OH2 TIP3 446 9.632 -41.089 -30.650 1.00 0.00 WAT +ATOM 7647 H1 TIP3 446 8.820 -40.793 -31.096 1.00 0.00 WAT +ATOM 7648 H2 TIP3 446 10.284 -40.986 -31.368 1.00 0.00 WAT +ATOM 7649 OH2 TIP3 447 2.756 43.699 -33.275 1.00 0.00 WAT +ATOM 7650 H1 TIP3 447 2.716 42.856 -33.748 1.00 0.00 WAT +ATOM 7651 H2 TIP3 447 1.856 44.070 -33.332 1.00 0.00 WAT +ATOM 7652 OH2 TIP3 448 7.489 -27.729 -35.856 1.00 0.00 WAT +ATOM 7653 H1 TIP3 448 7.982 -28.529 -36.129 1.00 0.00 WAT +ATOM 7654 H2 TIP3 448 8.193 -27.052 -35.904 1.00 0.00 WAT +ATOM 7655 OH2 TIP3 449 8.954 -29.864 -37.192 1.00 0.00 WAT +ATOM 7656 H1 TIP3 449 8.452 -30.331 -37.873 1.00 0.00 WAT +ATOM 7657 H2 TIP3 449 8.911 -30.503 -36.453 1.00 0.00 WAT +ATOM 7658 OH2 TIP3 450 10.496 -31.048 -28.707 1.00 0.00 WAT +ATOM 7659 H1 TIP3 450 10.392 -31.693 -29.431 1.00 0.00 WAT +ATOM 7660 H2 TIP3 450 10.616 -30.212 -29.196 1.00 0.00 WAT +ATOM 7661 OH2 TIP3 451 4.796 -34.154 -39.056 1.00 0.00 WAT +ATOM 7662 H1 TIP3 451 4.131 -33.553 -39.436 1.00 0.00 WAT +ATOM 7663 H2 TIP3 451 5.531 -34.076 -39.683 1.00 0.00 WAT +ATOM 7664 OH2 TIP3 452 4.942 -35.912 -42.075 1.00 0.00 WAT +ATOM 7665 H1 TIP3 452 5.612 -35.623 -41.434 1.00 0.00 WAT +ATOM 7666 H2 TIP3 452 5.485 -36.524 -42.620 1.00 0.00 WAT +ATOM 7667 OH2 TIP3 453 12.257 -34.876 -30.767 1.00 0.00 WAT +ATOM 7668 H1 TIP3 453 11.527 -34.231 -30.682 1.00 0.00 WAT +ATOM 7669 H2 TIP3 453 12.725 -34.527 -31.550 1.00 0.00 WAT +ATOM 7670 OH2 TIP3 454 8.274 -34.154 -37.949 1.00 0.00 WAT +ATOM 7671 H1 TIP3 454 7.584 -33.942 -37.278 1.00 0.00 WAT +ATOM 7672 H2 TIP3 454 8.867 -34.717 -37.419 1.00 0.00 WAT +ATOM 7673 OH2 TIP3 455 8.115 -35.619 -29.102 1.00 0.00 WAT +ATOM 7674 H1 TIP3 455 8.163 -34.808 -28.571 1.00 0.00 WAT +ATOM 7675 H2 TIP3 455 7.460 -35.328 -29.762 1.00 0.00 WAT +ATOM 7676 OH2 TIP3 456 1.205 -30.009 -33.416 1.00 0.00 WAT +ATOM 7677 H1 TIP3 456 1.212 -30.362 -34.313 1.00 0.00 WAT +ATOM 7678 H2 TIP3 456 2.002 -30.432 -33.038 1.00 0.00 WAT +ATOM 7679 OH2 TIP3 457 0.281 -33.948 -33.136 1.00 0.00 WAT +ATOM 7680 H1 TIP3 457 0.811 -34.623 -33.612 1.00 0.00 WAT +ATOM 7681 H2 TIP3 457 0.781 -33.851 -32.305 1.00 0.00 WAT +ATOM 7682 OH2 TIP3 458 6.377 -29.042 -32.096 1.00 0.00 WAT +ATOM 7683 H1 TIP3 458 6.425 -28.375 -31.389 1.00 0.00 WAT +ATOM 7684 H2 TIP3 458 6.174 -29.865 -31.616 1.00 0.00 WAT +ATOM 7685 OH2 TIP3 459 1.295 -30.243 -27.832 1.00 0.00 WAT +ATOM 7686 H1 TIP3 459 0.796 -29.574 -27.330 1.00 0.00 WAT +ATOM 7687 H2 TIP3 459 0.652 -30.497 -28.515 1.00 0.00 WAT +ATOM 7688 OH2 TIP3 460 7.349 -34.674 -40.569 1.00 0.00 WAT +ATOM 7689 H1 TIP3 460 7.763 -34.426 -39.715 1.00 0.00 WAT +ATOM 7690 H2 TIP3 460 7.965 -34.255 -41.201 1.00 0.00 WAT +ATOM 7691 OH2 TIP3 461 -1.819 -33.779 -28.802 1.00 0.00 WAT +ATOM 7692 H1 TIP3 461 -1.721 -33.273 -27.975 1.00 0.00 WAT +ATOM 7693 H2 TIP3 461 -2.765 -33.998 -28.782 1.00 0.00 WAT +ATOM 7694 OH2 TIP3 462 4.610 -28.108 -36.921 1.00 0.00 WAT +ATOM 7695 H1 TIP3 462 5.175 -27.845 -36.182 1.00 0.00 WAT +ATOM 7696 H2 TIP3 462 4.208 -27.269 -37.192 1.00 0.00 WAT +ATOM 7697 OH2 TIP3 463 -0.604 -28.066 -27.024 1.00 0.00 WAT +ATOM 7698 H1 TIP3 463 -0.718 -28.019 -27.988 1.00 0.00 WAT +ATOM 7699 H2 TIP3 463 -1.485 -28.336 -26.704 1.00 0.00 WAT +ATOM 7700 OH2 TIP3 464 10.567 -43.384 -41.258 1.00 0.00 WAT +ATOM 7701 H1 TIP3 464 9.964 -43.298 -40.500 1.00 0.00 WAT +ATOM 7702 H2 TIP3 464 11.187 -42.668 -41.066 1.00 0.00 WAT +ATOM 7703 OH2 TIP3 465 -1.291 -34.318 -38.117 1.00 0.00 WAT +ATOM 7704 H1 TIP3 465 -1.350 -33.856 -38.966 1.00 0.00 WAT +ATOM 7705 H2 TIP3 465 -1.491 -35.239 -38.339 1.00 0.00 WAT +ATOM 7706 OH2 TIP3 466 11.830 -28.760 -42.527 1.00 0.00 WAT +ATOM 7707 H1 TIP3 466 12.066 -27.922 -42.101 1.00 0.00 WAT +ATOM 7708 H2 TIP3 466 12.598 -29.330 -42.353 1.00 0.00 WAT +ATOM 7709 OH2 TIP3 467 -5.102 -31.969 -29.942 1.00 0.00 WAT +ATOM 7710 H1 TIP3 467 -5.646 -31.959 -30.756 1.00 0.00 WAT +ATOM 7711 H2 TIP3 467 -5.043 -32.922 -29.742 1.00 0.00 WAT +ATOM 7712 OH2 TIP3 468 -5.100 -29.035 -32.977 1.00 0.00 WAT +ATOM 7713 H1 TIP3 468 -4.172 -29.291 -32.894 1.00 0.00 WAT +ATOM 7714 H2 TIP3 468 -5.193 -28.417 -32.237 1.00 0.00 WAT +ATOM 7715 OH2 TIP3 469 13.291 -28.423 -27.186 1.00 0.00 WAT +ATOM 7716 H1 TIP3 469 13.169 -29.372 -27.362 1.00 0.00 WAT +ATOM 7717 H2 TIP3 469 12.385 -28.170 -26.904 1.00 0.00 WAT +ATOM 7718 OH2 TIP3 470 3.933 -29.186 -28.404 1.00 0.00 WAT +ATOM 7719 H1 TIP3 470 4.022 -28.370 -27.871 1.00 0.00 WAT +ATOM 7720 H2 TIP3 470 3.039 -29.490 -28.153 1.00 0.00 WAT +ATOM 7721 OH2 TIP3 471 4.247 -25.401 -38.472 1.00 0.00 WAT +ATOM 7722 H1 TIP3 471 4.227 -25.270 -39.436 1.00 0.00 WAT +ATOM 7723 H2 TIP3 471 4.283 -24.491 -38.135 1.00 0.00 WAT +ATOM 7724 OH2 TIP3 472 -1.977 -26.276 -36.809 1.00 0.00 WAT +ATOM 7725 H1 TIP3 472 -1.808 -26.699 -35.944 1.00 0.00 WAT +ATOM 7726 H2 TIP3 472 -2.852 -26.629 -37.017 1.00 0.00 WAT +ATOM 7727 OH2 TIP3 473 7.303 -25.656 -41.016 1.00 0.00 WAT +ATOM 7728 H1 TIP3 473 7.796 -26.014 -41.767 1.00 0.00 WAT +ATOM 7729 H2 TIP3 473 7.481 -26.297 -40.298 1.00 0.00 WAT +ATOM 7730 OH2 TIP3 474 6.975 -26.728 -38.490 1.00 0.00 WAT +ATOM 7731 H1 TIP3 474 6.072 -26.421 -38.323 1.00 0.00 WAT +ATOM 7732 H2 TIP3 474 7.144 -27.268 -37.697 1.00 0.00 WAT +ATOM 7733 OH2 TIP3 475 10.090 -37.082 -26.803 1.00 0.00 WAT +ATOM 7734 H1 TIP3 475 9.565 -36.688 -27.513 1.00 0.00 WAT +ATOM 7735 H2 TIP3 475 10.148 -38.011 -27.092 1.00 0.00 WAT +ATOM 7736 OH2 TIP3 476 -2.964 -30.405 -28.652 1.00 0.00 WAT +ATOM 7737 H1 TIP3 476 -2.685 -30.876 -27.839 1.00 0.00 WAT +ATOM 7738 H2 TIP3 476 -3.676 -30.973 -28.998 1.00 0.00 WAT +ATOM 7739 OH2 TIP3 477 0.215 -42.162 -32.769 1.00 0.00 WAT +ATOM 7740 H1 TIP3 477 -0.612 -42.443 -33.185 1.00 0.00 WAT +ATOM 7741 H2 TIP3 477 -0.074 -41.368 -32.287 1.00 0.00 WAT +ATOM 7742 OH2 TIP3 478 4.828 -42.604 -29.149 1.00 0.00 WAT +ATOM 7743 H1 TIP3 478 4.983 -43.091 -28.335 1.00 0.00 WAT +ATOM 7744 H2 TIP3 478 3.886 -42.770 -29.294 1.00 0.00 WAT +ATOM 7745 OH2 TIP3 479 7.792 -38.632 -28.728 1.00 0.00 WAT +ATOM 7746 H1 TIP3 479 7.186 -38.753 -27.974 1.00 0.00 WAT +ATOM 7747 H2 TIP3 479 7.718 -37.682 -28.921 1.00 0.00 WAT +ATOM 7748 OH2 TIP3 480 9.575 -33.857 -42.530 1.00 0.00 WAT +ATOM 7749 H1 TIP3 480 9.118 -34.031 -43.366 1.00 0.00 WAT +ATOM 7750 H2 TIP3 480 9.869 -32.951 -42.702 1.00 0.00 WAT +ATOM 7751 OH2 TIP3 481 4.419 -39.973 -42.129 1.00 0.00 WAT +ATOM 7752 H1 TIP3 481 3.870 -39.947 -41.321 1.00 0.00 WAT +ATOM 7753 H2 TIP3 481 3.937 -40.646 -42.623 1.00 0.00 WAT +ATOM 7754 OH2 TIP3 482 0.048 -37.184 -31.463 1.00 0.00 WAT +ATOM 7755 H1 TIP3 482 -0.605 -37.030 -30.760 1.00 0.00 WAT +ATOM 7756 H2 TIP3 482 0.033 -36.362 -31.971 1.00 0.00 WAT +ATOM 7757 OH2 TIP3 483 5.695 -36.544 -37.851 1.00 0.00 WAT +ATOM 7758 H1 TIP3 483 5.284 -35.718 -38.176 1.00 0.00 WAT +ATOM 7759 H2 TIP3 483 6.322 -36.742 -38.565 1.00 0.00 WAT +ATOM 7760 OH2 TIP3 484 4.834 -36.319 -26.491 1.00 0.00 WAT +ATOM 7761 H1 TIP3 484 4.329 -37.066 -26.108 1.00 0.00 WAT +ATOM 7762 H2 TIP3 484 5.703 -36.427 -26.060 1.00 0.00 WAT +ATOM 7763 OH2 TIP3 485 6.507 -37.111 -35.044 1.00 0.00 WAT +ATOM 7764 H1 TIP3 485 6.206 -36.541 -35.778 1.00 0.00 WAT +ATOM 7765 H2 TIP3 485 6.687 -37.934 -35.537 1.00 0.00 WAT +ATOM 7766 OH2 TIP3 486 -2.591 -36.914 -29.718 1.00 0.00 WAT +ATOM 7767 H1 TIP3 486 -2.207 -36.671 -28.866 1.00 0.00 WAT +ATOM 7768 H2 TIP3 486 -2.964 -37.793 -29.507 1.00 0.00 WAT +ATOM 7769 OH2 TIP3 487 1.171 -39.582 -43.124 1.00 0.00 WAT +ATOM 7770 H1 TIP3 487 0.887 -39.845 -42.234 1.00 0.00 WAT +ATOM 7771 H2 TIP3 487 0.396 -39.079 -43.438 1.00 0.00 WAT +ATOM 7772 OH2 TIP3 488 -5.662 -39.501 -36.011 1.00 0.00 WAT +ATOM 7773 H1 TIP3 488 -5.120 -39.616 -35.208 1.00 0.00 WAT +ATOM 7774 H2 TIP3 488 -5.173 -39.973 -36.700 1.00 0.00 WAT +ATOM 7775 OH2 TIP3 489 -4.245 -39.172 -40.465 1.00 0.00 WAT +ATOM 7776 H1 TIP3 489 -3.542 -38.685 -40.927 1.00 0.00 WAT +ATOM 7777 H2 TIP3 489 -4.813 -38.452 -40.137 1.00 0.00 WAT +ATOM 7778 OH2 TIP3 490 5.599 -35.435 -30.575 1.00 0.00 WAT +ATOM 7779 H1 TIP3 490 6.027 -36.153 -31.096 1.00 0.00 WAT +ATOM 7780 H2 TIP3 490 5.272 -35.925 -29.808 1.00 0.00 WAT +ATOM 7781 OH2 TIP3 491 2.548 -39.670 -35.643 1.00 0.00 WAT +ATOM 7782 H1 TIP3 491 1.692 -39.249 -35.465 1.00 0.00 WAT +ATOM 7783 H2 TIP3 491 2.931 -39.754 -34.758 1.00 0.00 WAT +ATOM 7784 OH2 TIP3 492 -2.408 -37.988 -37.357 1.00 0.00 WAT +ATOM 7785 H1 TIP3 492 -3.357 -38.078 -37.241 1.00 0.00 WAT +ATOM 7786 H2 TIP3 492 -2.042 -38.889 -37.277 1.00 0.00 WAT +ATOM 7787 OH2 TIP3 493 0.868 -38.024 -39.330 1.00 0.00 WAT +ATOM 7788 H1 TIP3 493 1.677 -37.806 -38.843 1.00 0.00 WAT +ATOM 7789 H2 TIP3 493 0.667 -37.218 -39.816 1.00 0.00 WAT +ATOM 7790 OH2 TIP3 494 7.154 -40.306 -32.538 1.00 0.00 WAT +ATOM 7791 H1 TIP3 494 6.496 -40.347 -31.818 1.00 0.00 WAT +ATOM 7792 H2 TIP3 494 6.617 -40.650 -33.274 1.00 0.00 WAT +ATOM 7793 OH2 TIP3 495 -0.503 -36.634 -41.656 1.00 0.00 WAT +ATOM 7794 H1 TIP3 495 -0.993 -37.308 -42.153 1.00 0.00 WAT +ATOM 7795 H2 TIP3 495 0.347 -36.602 -42.117 1.00 0.00 WAT +ATOM 7796 OH2 TIP3 496 10.185 -24.541 -25.889 1.00 0.00 WAT +ATOM 7797 H1 TIP3 496 10.435 -24.093 -26.717 1.00 0.00 WAT +ATOM 7798 H2 TIP3 496 10.912 -24.264 -25.301 1.00 0.00 WAT +ATOM 7799 OH2 TIP3 497 -1.885 -31.943 -26.475 1.00 0.00 WAT +ATOM 7800 H1 TIP3 497 -1.206 -31.870 -25.772 1.00 0.00 WAT +ATOM 7801 H2 TIP3 497 -2.688 -31.963 -25.921 1.00 0.00 WAT +ATOM 7802 OH2 TIP3 498 3.877 -36.768 -33.736 1.00 0.00 WAT +ATOM 7803 H1 TIP3 498 4.450 -37.285 -34.315 1.00 0.00 WAT +ATOM 7804 H2 TIP3 498 3.541 -37.434 -33.114 1.00 0.00 WAT +ATOM 7805 OH2 TIP3 499 -1.000 -40.558 -37.300 1.00 0.00 WAT +ATOM 7806 H1 TIP3 499 -1.390 -41.444 -37.303 1.00 0.00 WAT +ATOM 7807 H2 TIP3 499 -0.177 -40.680 -37.787 1.00 0.00 WAT +ATOM 7808 OH2 TIP3 500 2.787 -38.445 -31.558 1.00 0.00 WAT +ATOM 7809 H1 TIP3 500 2.018 -37.853 -31.525 1.00 0.00 WAT +ATOM 7810 H2 TIP3 500 3.290 -38.197 -30.757 1.00 0.00 WAT +ATOM 7811 OH2 TIP3 501 2.895 -32.088 -39.568 1.00 0.00 WAT +ATOM 7812 H1 TIP3 501 2.146 -32.608 -39.924 1.00 0.00 WAT +ATOM 7813 H2 TIP3 501 2.725 -32.118 -38.600 1.00 0.00 WAT +ATOM 7814 OH2 TIP3 502 10.162 -32.934 -30.867 1.00 0.00 WAT +ATOM 7815 H1 TIP3 502 10.654 -32.391 -31.520 1.00 0.00 WAT +ATOM 7816 H2 TIP3 502 9.305 -33.050 -31.322 1.00 0.00 WAT +ATOM 7817 OH2 TIP3 503 7.112 -39.284 -41.933 1.00 0.00 WAT +ATOM 7818 H1 TIP3 503 6.138 -39.382 -41.857 1.00 0.00 WAT +ATOM 7819 H2 TIP3 503 7.328 -38.595 -41.271 1.00 0.00 WAT +ATOM 7820 OH2 TIP3 504 4.539 -32.095 -28.296 1.00 0.00 WAT +ATOM 7821 H1 TIP3 504 4.310 -32.408 -27.410 1.00 0.00 WAT +ATOM 7822 H2 TIP3 504 4.282 -31.162 -28.268 1.00 0.00 WAT +ATOM 7823 OH2 TIP3 505 7.708 -37.501 -39.905 1.00 0.00 WAT +ATOM 7824 H1 TIP3 505 8.555 -37.657 -39.439 1.00 0.00 WAT +ATOM 7825 H2 TIP3 505 7.846 -36.615 -40.287 1.00 0.00 WAT +ATOM 7826 OH2 TIP3 506 5.377 -30.756 -40.701 1.00 0.00 WAT +ATOM 7827 H1 TIP3 506 5.097 -29.875 -40.381 1.00 0.00 WAT +ATOM 7828 H2 TIP3 506 4.620 -31.295 -40.409 1.00 0.00 WAT +ATOM 7829 OH2 TIP3 507 -4.691 -34.426 -28.504 1.00 0.00 WAT +ATOM 7830 H1 TIP3 507 -4.510 -34.873 -27.652 1.00 0.00 WAT +ATOM 7831 H2 TIP3 507 -5.253 -35.070 -28.964 1.00 0.00 WAT +ATOM 7832 OH2 TIP3 508 2.299 -34.928 -26.565 1.00 0.00 WAT +ATOM 7833 H1 TIP3 508 2.019 -35.165 -27.465 1.00 0.00 WAT +ATOM 7834 H2 TIP3 508 3.232 -35.211 -26.595 1.00 0.00 WAT +ATOM 7835 OH2 TIP3 509 6.836 -29.505 -28.815 1.00 0.00 WAT +ATOM 7836 H1 TIP3 509 5.871 -29.405 -28.867 1.00 0.00 WAT +ATOM 7837 H2 TIP3 509 7.015 -29.240 -27.898 1.00 0.00 WAT +ATOM 7838 OH2 TIP3 510 12.433 -37.383 -40.022 1.00 0.00 WAT +ATOM 7839 H1 TIP3 510 11.770 -37.559 -40.716 1.00 0.00 WAT +ATOM 7840 H2 TIP3 510 12.543 -36.426 -40.169 1.00 0.00 WAT +ATOM 7841 OH2 TIP3 511 12.821 -31.407 -27.240 1.00 0.00 WAT +ATOM 7842 H1 TIP3 511 11.883 -31.188 -27.422 1.00 0.00 WAT +ATOM 7843 H2 TIP3 511 13.148 -31.578 -28.144 1.00 0.00 WAT +ATOM 7844 OH2 TIP3 512 10.684 -28.814 -39.904 1.00 0.00 WAT +ATOM 7845 H1 TIP3 512 10.359 -29.574 -39.400 1.00 0.00 WAT +ATOM 7846 H2 TIP3 512 10.942 -29.212 -40.749 1.00 0.00 WAT +ATOM 7847 OH2 TIP3 513 7.815 -33.498 -32.571 1.00 0.00 WAT +ATOM 7848 H1 TIP3 513 6.882 -33.662 -32.809 1.00 0.00 WAT +ATOM 7849 H2 TIP3 513 8.254 -34.226 -33.053 1.00 0.00 WAT +ATOM 7850 OH2 TIP3 514 0.419 -29.467 -36.543 1.00 0.00 WAT +ATOM 7851 H1 TIP3 514 0.919 -28.639 -36.631 1.00 0.00 WAT +ATOM 7852 H2 TIP3 514 -0.471 -29.170 -36.773 1.00 0.00 WAT +ATOM 7853 OH2 TIP3 515 -3.627 -34.074 -42.430 1.00 0.00 WAT +ATOM 7854 H1 TIP3 515 -3.038 -33.792 -41.702 1.00 0.00 WAT +ATOM 7855 H2 TIP3 515 -4.483 -34.130 -41.951 1.00 0.00 WAT +ATOM 7856 OH2 TIP3 516 2.077 -31.904 -36.856 1.00 0.00 WAT +ATOM 7857 H1 TIP3 516 1.795 -30.984 -36.728 1.00 0.00 WAT +ATOM 7858 H2 TIP3 516 1.351 -32.398 -36.465 1.00 0.00 WAT +ATOM 7859 OH2 TIP3 517 2.446 -27.471 -30.559 1.00 0.00 WAT +ATOM 7860 H1 TIP3 517 3.007 -26.719 -30.820 1.00 0.00 WAT +ATOM 7861 H2 TIP3 517 3.058 -27.969 -29.992 1.00 0.00 WAT +ATOM 7862 OH2 TIP3 518 0.891 -26.521 -37.340 1.00 0.00 WAT +ATOM 7863 H1 TIP3 518 -0.062 -26.361 -37.243 1.00 0.00 WAT +ATOM 7864 H2 TIP3 518 1.258 -25.655 -37.076 1.00 0.00 WAT +ATOM 7865 OH2 TIP3 519 5.855 -31.717 -30.986 1.00 0.00 WAT +ATOM 7866 H1 TIP3 519 5.576 -31.998 -30.096 1.00 0.00 WAT +ATOM 7867 H2 TIP3 519 6.590 -32.327 -31.165 1.00 0.00 WAT +ATOM 7868 OH2 TIP3 520 7.956 -30.294 -42.001 1.00 0.00 WAT +ATOM 7869 H1 TIP3 520 8.524 -30.718 -41.333 1.00 0.00 WAT +ATOM 7870 H2 TIP3 520 7.089 -30.478 -41.604 1.00 0.00 WAT +ATOM 7871 OH2 TIP3 521 8.803 -27.153 -28.592 1.00 0.00 WAT +ATOM 7872 H1 TIP3 521 8.041 -27.588 -29.019 1.00 0.00 WAT +ATOM 7873 H2 TIP3 521 8.916 -26.349 -29.132 1.00 0.00 WAT +ATOM 7874 OH2 TIP3 522 12.934 -25.984 -41.596 1.00 0.00 WAT +ATOM 7875 H1 TIP3 522 13.597 -25.277 -41.452 1.00 0.00 WAT +ATOM 7876 H2 TIP3 522 12.104 -25.505 -41.401 1.00 0.00 WAT +ATOM 7877 OH2 TIP3 523 -3.324 -39.600 -28.962 1.00 0.00 WAT +ATOM 7878 H1 TIP3 523 -4.248 -39.428 -29.244 1.00 0.00 WAT +ATOM 7879 H2 TIP3 523 -3.456 -40.457 -28.502 1.00 0.00 WAT +ATOM 7880 OH2 TIP3 524 8.993 -31.825 -39.688 1.00 0.00 WAT +ATOM 7881 H1 TIP3 524 8.730 -32.529 -39.068 1.00 0.00 WAT +ATOM 7882 H2 TIP3 524 9.965 -31.855 -39.606 1.00 0.00 WAT +ATOM 7883 OH2 TIP3 525 -3.565 -28.050 -30.506 1.00 0.00 WAT +ATOM 7884 H1 TIP3 525 -3.295 -28.948 -30.263 1.00 0.00 WAT +ATOM 7885 H2 TIP3 525 -3.381 -27.582 -29.682 1.00 0.00 WAT +ATOM 7886 OH2 TIP3 526 2.472 -29.392 -43.371 1.00 0.00 WAT +ATOM 7887 H1 TIP3 526 2.891 -30.231 -43.643 1.00 0.00 WAT +ATOM 7888 H2 TIP3 526 2.003 -29.671 -42.563 1.00 0.00 WAT +ATOM 7889 OH2 TIP3 527 1.043 -29.876 -40.754 1.00 0.00 WAT +ATOM 7890 H1 TIP3 527 1.599 -30.394 -40.152 1.00 0.00 WAT +ATOM 7891 H2 TIP3 527 1.255 -28.957 -40.494 1.00 0.00 WAT +ATOM 7892 OH2 TIP3 528 -2.088 -32.511 -40.434 1.00 0.00 WAT +ATOM 7893 H1 TIP3 528 -2.822 -32.147 -39.902 1.00 0.00 WAT +ATOM 7894 H2 TIP3 528 -1.593 -31.703 -40.639 1.00 0.00 WAT +ATOM 7895 OH2 TIP3 529 5.509 -40.036 -30.221 1.00 0.00 WAT +ATOM 7896 H1 TIP3 529 6.195 -39.821 -29.575 1.00 0.00 WAT +ATOM 7897 H2 TIP3 529 5.192 -40.910 -29.922 1.00 0.00 WAT +ATOM 7898 OH2 TIP3 530 6.400 -40.502 -39.229 1.00 0.00 WAT +ATOM 7899 H1 TIP3 530 6.557 -39.854 -39.929 1.00 0.00 WAT +ATOM 7900 H2 TIP3 530 6.696 -40.020 -38.441 1.00 0.00 WAT +ATOM 7901 OH2 TIP3 531 3.987 -28.270 -40.305 1.00 0.00 WAT +ATOM 7902 H1 TIP3 531 3.250 -27.717 -40.004 1.00 0.00 WAT +ATOM 7903 H2 TIP3 531 4.559 -27.609 -40.713 1.00 0.00 WAT +ATOM 7904 OH2 TIP3 532 3.642 -38.545 -38.051 1.00 0.00 WAT +ATOM 7905 H1 TIP3 532 4.382 -37.931 -37.877 1.00 0.00 WAT +ATOM 7906 H2 TIP3 532 3.266 -38.684 -37.163 1.00 0.00 WAT +ATOM 7907 OH2 TIP3 533 4.005 -37.586 -28.994 1.00 0.00 WAT +ATOM 7908 H1 TIP3 533 4.134 -37.113 -28.154 1.00 0.00 WAT +ATOM 7909 H2 TIP3 533 4.553 -38.374 -28.874 1.00 0.00 WAT +ATOM 7910 OH2 TIP3 534 4.396 -41.656 -37.142 1.00 0.00 WAT +ATOM 7911 H1 TIP3 534 4.086 -40.900 -36.622 1.00 0.00 WAT +ATOM 7912 H2 TIP3 534 4.961 -41.244 -37.815 1.00 0.00 WAT +ATOM 7913 OH2 TIP3 535 1.172 -27.062 -40.260 1.00 0.00 WAT +ATOM 7914 H1 TIP3 535 1.271 -26.210 -40.735 1.00 0.00 WAT +ATOM 7915 H2 TIP3 535 1.094 -26.772 -39.332 1.00 0.00 WAT +ATOM 7916 OH2 TIP3 536 -0.110 -40.349 -40.571 1.00 0.00 WAT +ATOM 7917 H1 TIP3 536 -0.077 -39.530 -40.032 1.00 0.00 WAT +ATOM 7918 H2 TIP3 536 0.745 -40.736 -40.305 1.00 0.00 WAT +ATOM 7919 OH2 TIP3 537 10.407 -39.633 -28.185 1.00 0.00 WAT +ATOM 7920 H1 TIP3 537 9.439 -39.520 -28.263 1.00 0.00 WAT +ATOM 7921 H2 TIP3 537 10.588 -39.897 -29.099 1.00 0.00 WAT +ATOM 7922 OH2 TIP3 538 8.815 -35.744 -34.099 1.00 0.00 WAT +ATOM 7923 H1 TIP3 538 7.984 -36.195 -34.342 1.00 0.00 WAT +ATOM 7924 H2 TIP3 538 9.297 -36.457 -33.622 1.00 0.00 WAT +ATOM 7925 OH2 TIP3 539 -1.657 -29.552 -41.784 1.00 0.00 WAT +ATOM 7926 H1 TIP3 539 -0.968 -29.146 -41.235 1.00 0.00 WAT +ATOM 7927 H2 TIP3 539 -1.121 -30.205 -42.268 1.00 0.00 WAT +ATOM 7928 OH2 TIP3 540 -3.357 -37.325 -42.705 1.00 0.00 WAT +ATOM 7929 H1 TIP3 540 -3.274 -36.444 -42.320 1.00 0.00 WAT +ATOM 7930 H2 TIP3 540 -4.312 -37.444 -42.819 1.00 0.00 WAT +ATOM 7931 OH2 TIP3 541 9.838 -26.903 -32.715 1.00 0.00 WAT +ATOM 7932 H1 TIP3 541 9.674 -26.065 -33.192 1.00 0.00 WAT +ATOM 7933 H2 TIP3 541 10.760 -26.767 -32.443 1.00 0.00 WAT +ATOM 7934 OH2 TIP3 542 -3.378 -42.428 -33.566 1.00 0.00 WAT +ATOM 7935 H1 TIP3 542 -2.941 -42.418 -34.427 1.00 0.00 WAT +ATOM 7936 H2 TIP3 542 -3.143 -43.328 -33.284 1.00 0.00 WAT +ATOM 7937 OH2 TIP3 543 -3.680 -28.879 -37.461 1.00 0.00 WAT +ATOM 7938 H1 TIP3 543 -4.464 -28.362 -37.236 1.00 0.00 WAT +ATOM 7939 H2 TIP3 543 -3.278 -28.349 -38.163 1.00 0.00 WAT +ATOM 7940 OH2 TIP3 544 -4.251 -25.986 -26.288 1.00 0.00 WAT +ATOM 7941 H1 TIP3 544 -3.675 -26.261 -25.548 1.00 0.00 WAT +ATOM 7942 H2 TIP3 544 -4.644 -26.838 -26.562 1.00 0.00 WAT +ATOM 7943 OH2 TIP3 545 0.361 -26.949 -24.493 1.00 0.00 WAT +ATOM 7944 H1 TIP3 545 1.116 -27.520 -24.283 1.00 0.00 WAT +ATOM 7945 H2 TIP3 545 0.205 -27.187 -25.422 1.00 0.00 WAT +ATOM 7946 OH2 TIP3 546 4.679 -27.571 -43.304 1.00 0.00 WAT +ATOM 7947 H1 TIP3 546 3.865 -28.111 -43.258 1.00 0.00 WAT +ATOM 7948 H2 TIP3 546 5.317 -28.255 -43.560 1.00 0.00 WAT +ATOM 7949 OH2 TIP3 547 6.907 -28.651 -25.919 1.00 0.00 WAT +ATOM 7950 H1 TIP3 547 6.542 -29.469 -25.539 1.00 0.00 WAT +ATOM 7951 H2 TIP3 547 7.606 -28.420 -25.280 1.00 0.00 WAT +ATOM 7952 OH2 TIP3 548 8.669 -28.225 42.831 1.00 0.00 WAT +ATOM 7953 H1 TIP3 548 8.557 -28.677 43.677 1.00 0.00 WAT +ATOM 7954 H2 TIP3 548 9.577 -27.914 42.854 1.00 0.00 WAT +ATOM 7955 OH2 TIP3 549 -4.289 -32.357 -25.154 1.00 0.00 WAT +ATOM 7956 H1 TIP3 549 -4.199 -33.262 -25.495 1.00 0.00 WAT +ATOM 7957 H2 TIP3 549 -5.064 -32.051 -25.664 1.00 0.00 WAT +ATOM 7958 OH2 TIP3 550 -0.468 -31.872 -43.111 1.00 0.00 WAT +ATOM 7959 H1 TIP3 550 -0.011 -32.445 -42.474 1.00 0.00 WAT +ATOM 7960 H2 TIP3 550 0.219 -31.755 -43.796 1.00 0.00 WAT +ATOM 7961 OH2 TIP3 551 2.284 -32.165 -25.806 1.00 0.00 WAT +ATOM 7962 H1 TIP3 551 2.037 -31.838 -26.687 1.00 0.00 WAT +ATOM 7963 H2 TIP3 551 2.403 -33.125 -25.961 1.00 0.00 WAT +ATOM 7964 OH2 TIP3 552 5.270 -30.750 -43.471 1.00 0.00 WAT +ATOM 7965 H1 TIP3 552 5.416 -30.654 -42.512 1.00 0.00 WAT +ATOM 7966 H2 TIP3 552 5.897 -31.447 -43.712 1.00 0.00 WAT +ATOM 7967 OH2 TIP3 553 7.694 -32.532 -28.438 1.00 0.00 WAT +ATOM 7968 H1 TIP3 553 8.490 -32.012 -28.625 1.00 0.00 WAT +ATOM 7969 H2 TIP3 553 7.012 -31.842 -28.456 1.00 0.00 WAT +ATOM 7970 OH2 TIP3 554 -3.426 -35.209 -26.010 1.00 0.00 WAT +ATOM 7971 H1 TIP3 554 -2.693 -35.850 -26.007 1.00 0.00 WAT +ATOM 7972 H2 TIP3 554 -3.505 -35.030 -25.059 1.00 0.00 WAT +ATOM 7973 OH2 TIP3 555 0.980 -33.857 -40.838 1.00 0.00 WAT +ATOM 7974 H1 TIP3 555 0.465 -34.389 -40.220 1.00 0.00 WAT +ATOM 7975 H2 TIP3 555 1.332 -34.540 -41.439 1.00 0.00 WAT +ATOM 7976 OH2 TIP3 556 0.166 -36.110 -28.611 1.00 0.00 WAT +ATOM 7977 H1 TIP3 556 -0.268 -35.287 -28.335 1.00 0.00 WAT +ATOM 7978 H2 TIP3 556 0.876 -35.774 -29.190 1.00 0.00 WAT +ATOM 7979 OH2 TIP3 557 2.153 -35.659 -42.813 1.00 0.00 WAT +ATOM 7980 H1 TIP3 557 2.248 -35.968 -43.728 1.00 0.00 WAT +ATOM 7981 H2 TIP3 557 3.088 -35.724 -42.517 1.00 0.00 WAT +ATOM 7982 OH2 TIP3 558 5.509 -33.379 -25.020 1.00 0.00 WAT +ATOM 7983 H1 TIP3 558 6.420 -33.562 -25.297 1.00 0.00 WAT +ATOM 7984 H2 TIP3 558 5.275 -34.209 -24.579 1.00 0.00 WAT +ATOM 7985 OH2 TIP3 559 0.789 -38.801 -27.452 1.00 0.00 WAT +ATOM 7986 H1 TIP3 559 0.893 -39.458 -28.161 1.00 0.00 WAT +ATOM 7987 H2 TIP3 559 0.608 -37.992 -27.962 1.00 0.00 WAT +ATOM 7988 OH2 TIP3 560 1.186 -40.365 -30.032 1.00 0.00 WAT +ATOM 7989 H1 TIP3 560 1.722 -39.828 -30.650 1.00 0.00 WAT +ATOM 7990 H2 TIP3 560 0.283 -40.253 -30.390 1.00 0.00 WAT +ATOM 7991 OH2 TIP3 561 2.654 -34.890 -29.561 1.00 0.00 WAT +ATOM 7992 H1 TIP3 561 3.507 -34.989 -30.012 1.00 0.00 WAT +ATOM 7993 H2 TIP3 561 2.387 -33.997 -29.859 1.00 0.00 WAT +ATOM 7994 OH2 TIP3 562 7.261 -36.943 -24.799 1.00 0.00 WAT +ATOM 7995 H1 TIP3 562 7.465 -37.874 -24.612 1.00 0.00 WAT +ATOM 7996 H2 TIP3 562 8.147 -36.549 -24.808 1.00 0.00 WAT +ATOM 7997 OH2 TIP3 563 8.243 -34.152 -26.302 1.00 0.00 WAT +ATOM 7998 H1 TIP3 563 7.897 -33.537 -26.982 1.00 0.00 WAT +ATOM 7999 H2 TIP3 563 9.138 -34.309 -26.663 1.00 0.00 WAT +ATOM 8000 OH2 TIP3 564 -0.990 -36.950 -25.644 1.00 0.00 WAT +ATOM 8001 H1 TIP3 564 -1.498 -37.779 -25.620 1.00 0.00 WAT +ATOM 8002 H2 TIP3 564 -0.168 -37.245 -26.066 1.00 0.00 WAT +ATOM 8003 OH2 TIP3 565 1.729 -42.764 -28.718 1.00 0.00 WAT +ATOM 8004 H1 TIP3 565 1.749 -41.878 -29.137 1.00 0.00 WAT +ATOM 8005 H2 TIP3 565 0.963 -43.150 -29.166 1.00 0.00 WAT +ATOM 8006 OH2 TIP3 566 3.137 -38.428 -25.851 1.00 0.00 WAT +ATOM 8007 H1 TIP3 566 2.837 -38.712 -24.970 1.00 0.00 WAT +ATOM 8008 H2 TIP3 566 2.335 -38.637 -26.372 1.00 0.00 WAT +ATOM 8009 OH2 TIP3 567 5.747 -39.438 -26.861 1.00 0.00 WAT +ATOM 8010 H1 TIP3 567 4.850 -39.308 -26.504 1.00 0.00 WAT +ATOM 8011 H2 TIP3 567 6.112 -40.095 -26.243 1.00 0.00 WAT +ATOM 8012 OH2 TIP3 568 7.471 -41.357 -25.170 1.00 0.00 WAT +ATOM 8013 H1 TIP3 568 7.295 -42.227 -24.794 1.00 0.00 WAT +ATOM 8014 H2 TIP3 568 7.313 -40.760 -24.419 1.00 0.00 WAT +ATOM 8015 OH2 TIP3 569 -2.203 -39.583 -25.746 1.00 0.00 WAT +ATOM 8016 H1 TIP3 569 -2.441 -40.202 -26.459 1.00 0.00 WAT +ATOM 8017 H2 TIP3 569 -2.633 -39.989 -24.977 1.00 0.00 WAT +ATOM 8018 OH2 TIP3 570 2.759 -41.457 -24.755 1.00 0.00 WAT +ATOM 8019 H1 TIP3 570 2.545 -42.288 -25.218 1.00 0.00 WAT +ATOM 8020 H2 TIP3 570 1.904 -41.001 -24.715 1.00 0.00 WAT +ATOM 8021 OH2 TIP3 571 1.775 -24.629 -41.735 1.00 0.00 WAT +ATOM 8022 H1 TIP3 571 2.728 -24.480 -41.606 1.00 0.00 WAT +ATOM 8023 H2 TIP3 571 1.539 -23.973 -42.410 1.00 0.00 WAT +ATOM 8024 OH2 TIP3 572 -4.343 -30.620 -41.848 1.00 0.00 WAT +ATOM 8025 H1 TIP3 572 -3.509 -30.134 -41.984 1.00 0.00 WAT +ATOM 8026 H2 TIP3 572 -4.665 -30.790 -42.749 1.00 0.00 WAT +ATOM 8027 OH2 TIP3 573 -5.337 -25.028 -37.214 1.00 0.00 WAT +ATOM 8028 H1 TIP3 573 -6.070 -25.374 -37.764 1.00 0.00 WAT +ATOM 8029 H2 TIP3 573 -5.300 -25.694 -36.499 1.00 0.00 WAT +ATOM 8030 OH2 TIP3 574 -4.973 -26.993 -35.202 1.00 0.00 WAT +ATOM 8031 H1 TIP3 574 -5.289 -27.853 -34.879 1.00 0.00 WAT +ATOM 8032 H2 TIP3 574 -4.639 -26.626 -34.368 1.00 0.00 WAT +ATOM 8033 OH2 TIP3 575 12.565 -25.777 -32.206 1.00 0.00 WAT +ATOM 8034 H1 TIP3 575 12.668 -25.690 -31.245 1.00 0.00 WAT +ATOM 8035 H2 TIP3 575 13.398 -25.394 -32.510 1.00 0.00 WAT +ATOM 8036 OH2 TIP3 576 12.429 -26.269 -29.309 1.00 0.00 WAT +ATOM 8037 H1 TIP3 576 11.942 -27.034 -29.668 1.00 0.00 WAT +ATOM 8038 H2 TIP3 576 13.006 -26.714 -28.670 1.00 0.00 WAT +ATOM 8039 OH2 TIP3 577 10.454 -30.848 -25.029 1.00 0.00 WAT +ATOM 8040 H1 TIP3 577 9.572 -30.774 -24.626 1.00 0.00 WAT +ATOM 8041 H2 TIP3 577 10.904 -30.046 -24.715 1.00 0.00 WAT +ATOM 8042 OH2 TIP3 578 11.850 -32.020 -39.303 1.00 0.00 WAT +ATOM 8043 H1 TIP3 578 12.746 -31.660 -39.162 1.00 0.00 WAT +ATOM 8044 H2 TIP3 578 11.803 -32.653 -38.562 1.00 0.00 WAT +ATOM 8045 OH2 TIP3 579 12.313 -34.018 -37.324 1.00 0.00 WAT +ATOM 8046 H1 TIP3 579 11.633 -34.559 -36.874 1.00 0.00 WAT +ATOM 8047 H2 TIP3 579 12.985 -33.875 -36.629 1.00 0.00 WAT +ATOM 8048 OH2 TIP3 580 12.034 -31.489 -32.339 1.00 0.00 WAT +ATOM 8049 H1 TIP3 580 12.662 -31.975 -32.895 1.00 0.00 WAT +ATOM 8050 H2 TIP3 580 12.168 -30.573 -32.637 1.00 0.00 WAT +ATOM 8051 OH2 TIP3 581 10.752 -28.579 -30.098 1.00 0.00 WAT +ATOM 8052 H1 TIP3 581 10.029 -28.168 -29.591 1.00 0.00 WAT +ATOM 8053 H2 TIP3 581 10.281 -28.940 -30.874 1.00 0.00 WAT +ATOM 8054 OH2 TIP3 582 12.583 -34.341 -41.085 1.00 0.00 WAT +ATOM 8055 H1 TIP3 582 11.963 -34.028 -41.763 1.00 0.00 WAT +ATOM 8056 H2 TIP3 582 12.411 -33.684 -40.390 1.00 0.00 WAT +ATOM 8057 OH2 TIP3 583 10.775 -36.964 -42.189 1.00 0.00 WAT +ATOM 8058 H1 TIP3 583 11.103 -36.206 -42.702 1.00 0.00 WAT +ATOM 8059 H2 TIP3 583 11.227 -37.702 -42.606 1.00 0.00 WAT +ATOM 8060 OH2 TIP3 584 10.252 -35.851 -36.496 1.00 0.00 WAT +ATOM 8061 H1 TIP3 584 10.157 -36.801 -36.669 1.00 0.00 WAT +ATOM 8062 H2 TIP3 584 9.859 -35.765 -35.603 1.00 0.00 WAT +ATOM 8063 OH2 TIP3 585 -4.710 -33.626 -33.216 1.00 0.00 WAT +ATOM 8064 H1 TIP3 585 -4.564 -34.257 -33.931 1.00 0.00 WAT +ATOM 8065 H2 TIP3 585 -4.007 -33.885 -32.587 1.00 0.00 WAT +ATOM 8066 OH2 TIP3 586 10.853 -33.928 -27.363 1.00 0.00 WAT +ATOM 8067 H1 TIP3 586 11.586 -34.547 -27.185 1.00 0.00 WAT +ATOM 8068 H2 TIP3 586 11.316 -33.097 -27.537 1.00 0.00 WAT +ATOM 8069 OH2 TIP3 587 12.412 -35.834 -26.157 1.00 0.00 WAT +ATOM 8070 H1 TIP3 587 11.615 -36.363 -26.376 1.00 0.00 WAT +ATOM 8071 H2 TIP3 587 13.102 -36.523 -26.160 1.00 0.00 WAT +ATOM 8072 OH2 TIP3 588 10.048 -40.282 -43.405 1.00 0.00 WAT +ATOM 8073 H1 TIP3 588 10.621 -40.430 -42.643 1.00 0.00 WAT +ATOM 8074 H2 TIP3 588 9.155 -40.453 -43.068 1.00 0.00 WAT +ATOM 8075 OH2 TIP3 589 10.019 -38.263 -38.368 1.00 0.00 WAT +ATOM 8076 H1 TIP3 589 10.215 -39.225 -38.275 1.00 0.00 WAT +ATOM 8077 H2 TIP3 589 10.867 -37.943 -38.713 1.00 0.00 WAT +ATOM 8078 OH2 TIP3 590 10.342 -37.730 -32.920 1.00 0.00 WAT +ATOM 8079 H1 TIP3 590 11.319 -37.679 -32.921 1.00 0.00 WAT +ATOM 8080 H2 TIP3 590 10.180 -37.770 -31.962 1.00 0.00 WAT +ATOM 8081 OH2 TIP3 591 10.490 -37.065 -30.060 1.00 0.00 WAT +ATOM 8082 H1 TIP3 591 9.643 -36.655 -29.802 1.00 0.00 WAT +ATOM 8083 H2 TIP3 591 11.032 -36.284 -30.277 1.00 0.00 WAT +ATOM 8084 OH2 TIP3 592 -5.048 -38.351 -26.264 1.00 0.00 WAT +ATOM 8085 H1 TIP3 592 -4.126 -38.588 -26.441 1.00 0.00 WAT +ATOM 8086 H2 TIP3 592 -5.489 -39.215 -26.304 1.00 0.00 WAT +ATOM 8087 OH2 TIP3 593 12.622 -42.810 -24.299 1.00 0.00 WAT +ATOM 8088 H1 TIP3 593 13.160 -43.571 -24.537 1.00 0.00 WAT +ATOM 8089 H2 TIP3 593 12.652 -42.196 -25.068 1.00 0.00 WAT +ATOM 8090 OH2 TIP3 594 10.373 -40.974 -38.241 1.00 0.00 WAT +ATOM 8091 H1 TIP3 594 10.562 -41.475 -37.436 1.00 0.00 WAT +ATOM 8092 H2 TIP3 594 9.756 -41.580 -38.692 1.00 0.00 WAT +ATOM 8093 OH2 TIP3 595 -4.267 -39.887 -33.567 1.00 0.00 WAT +ATOM 8094 H1 TIP3 595 -4.004 -40.833 -33.474 1.00 0.00 WAT +ATOM 8095 H2 TIP3 595 -3.434 -39.446 -33.326 1.00 0.00 WAT +ATOM 8096 OH2 TIP3 596 -5.667 -37.264 -32.591 1.00 0.00 WAT +ATOM 8097 H1 TIP3 596 -5.083 -37.375 -33.349 1.00 0.00 WAT +ATOM 8098 H2 TIP3 596 -5.268 -36.530 -32.111 1.00 0.00 WAT +ATOM 8099 OH2 TIP3 597 12.439 -41.126 -26.443 1.00 0.00 WAT +ATOM 8100 H1 TIP3 597 11.592 -40.648 -26.353 1.00 0.00 WAT +ATOM 8101 H2 TIP3 597 12.329 -41.472 -27.346 1.00 0.00 WAT +ATOM 8102 OH2 TIP3 598 12.567 -40.719 -41.744 1.00 0.00 WAT +ATOM 8103 H1 TIP3 598 12.815 -41.465 -42.301 1.00 0.00 WAT +ATOM 8104 H2 TIP3 598 13.384 -40.196 -41.713 1.00 0.00 WAT +ATOM 8105 OH2 TIP3 599 -5.161 -40.972 -38.497 1.00 0.00 WAT +ATOM 8106 H1 TIP3 599 -6.103 -40.953 -38.734 1.00 0.00 WAT +ATOM 8107 H2 TIP3 599 -4.763 -40.336 -39.124 1.00 0.00 WAT +ATOM 8108 OH2 TIP3 600 9.421 -25.710 -36.416 1.00 0.00 WAT +ATOM 8109 H1 TIP3 600 9.929 -25.966 -37.202 1.00 0.00 WAT +ATOM 8110 H2 TIP3 600 10.097 -25.310 -35.856 1.00 0.00 WAT +ATOM 8111 OH2 TIP3 601 -5.408 -41.251 -30.005 1.00 0.00 WAT +ATOM 8112 H1 TIP3 601 -5.396 -42.183 -29.708 1.00 0.00 WAT +ATOM 8113 H2 TIP3 601 -5.540 -41.369 -30.953 1.00 0.00 WAT +ATOM 8114 OH2 TIP3 602 -3.160 -29.005 -25.654 1.00 0.00 WAT +ATOM 8115 H1 TIP3 602 -3.871 -28.991 -26.311 1.00 0.00 WAT +ATOM 8116 H2 TIP3 602 -3.642 -28.951 -24.821 1.00 0.00 WAT +ATOM 8117 OH2 TIP3 603 -0.309 -27.999 -30.008 1.00 0.00 WAT +ATOM 8118 H1 TIP3 603 -0.621 -27.140 -30.342 1.00 0.00 WAT +ATOM 8119 H2 TIP3 603 0.651 -27.893 -30.172 1.00 0.00 WAT +ATOM 8120 OH2 TIP3 604 4.190 -26.680 -26.981 1.00 0.00 WAT +ATOM 8121 H1 TIP3 604 4.350 -26.848 -26.037 1.00 0.00 WAT +ATOM 8122 H2 TIP3 604 5.019 -26.226 -27.239 1.00 0.00 WAT +ATOM 8123 OH2 TIP3 605 6.472 -25.229 -27.746 1.00 0.00 WAT +ATOM 8124 H1 TIP3 605 7.174 -25.859 -27.967 1.00 0.00 WAT +ATOM 8125 H2 TIP3 605 6.781 -24.904 -26.877 1.00 0.00 WAT +ATOM 8126 OH2 TIP3 606 11.077 -42.763 -28.542 1.00 0.00 WAT +ATOM 8127 H1 TIP3 606 10.562 -42.146 -29.092 1.00 0.00 WAT +ATOM 8128 H2 TIP3 606 11.256 -43.452 -29.203 1.00 0.00 WAT +ATOM 8129 OH2 TIP3 607 -2.962 -25.047 -29.664 1.00 0.00 WAT +ATOM 8130 H1 TIP3 607 -3.540 -24.396 -30.102 1.00 0.00 WAT +ATOM 8131 H2 TIP3 607 -3.269 -24.968 -28.753 1.00 0.00 WAT +ATOM 8132 OH2 TIP3 608 -0.458 -25.263 -31.122 1.00 0.00 WAT +ATOM 8133 H1 TIP3 608 -1.302 -25.053 -30.677 1.00 0.00 WAT +ATOM 8134 H2 TIP3 608 -0.402 -24.561 -31.796 1.00 0.00 WAT +ATOM 8135 OH2 TIP3 609 4.285 -25.259 -31.550 1.00 0.00 WAT +ATOM 8136 H1 TIP3 609 3.935 -24.793 -32.329 1.00 0.00 WAT +ATOM 8137 H2 TIP3 609 4.394 -24.521 -30.919 1.00 0.00 WAT +ATOM 8138 OH2 TIP3 610 6.639 -26.542 -30.644 1.00 0.00 WAT +ATOM 8139 H1 TIP3 610 5.795 -26.170 -30.961 1.00 0.00 WAT +ATOM 8140 H2 TIP3 610 7.209 -25.758 -30.643 1.00 0.00 WAT +ATOM 8141 OH2 TIP3 611 9.153 -24.818 -30.434 1.00 0.00 WAT +ATOM 8142 H1 TIP3 611 9.141 -23.857 -30.619 1.00 0.00 WAT +ATOM 8143 H2 TIP3 611 9.463 -25.159 -31.288 1.00 0.00 WAT +ATOM 8144 OH2 TIP3 612 -3.367 -26.237 -32.726 1.00 0.00 WAT +ATOM 8145 H1 TIP3 612 -3.379 -26.705 -31.864 1.00 0.00 WAT +ATOM 8146 H2 TIP3 612 -2.593 -26.662 -33.147 1.00 0.00 WAT +ATOM 8147 OH2 TIP3 613 -1.348 -27.524 -34.249 1.00 0.00 WAT +ATOM 8148 H1 TIP3 613 -1.465 -28.466 -34.006 1.00 0.00 WAT +ATOM 8149 H2 TIP3 613 -0.435 -27.352 -33.942 1.00 0.00 WAT +ATOM 8150 OH2 TIP3 614 1.385 -27.024 -33.393 1.00 0.00 WAT +ATOM 8151 H1 TIP3 614 1.623 -27.942 -33.605 1.00 0.00 WAT +ATOM 8152 H2 TIP3 614 1.489 -27.032 -32.427 1.00 0.00 WAT +ATOM 8153 OH2 TIP3 615 4.761 -41.150 -34.120 1.00 0.00 WAT +ATOM 8154 H1 TIP3 615 4.160 -41.834 -33.776 1.00 0.00 WAT +ATOM 8155 H2 TIP3 615 5.305 -41.661 -34.737 1.00 0.00 WAT +ATOM 8156 OH2 TIP3 616 9.940 -43.260 -33.596 1.00 0.00 WAT +ATOM 8157 H1 TIP3 616 10.537 -42.914 -34.278 1.00 0.00 WAT +ATOM 8158 H2 TIP3 616 9.069 -43.165 -34.020 1.00 0.00 WAT +ATOM 8159 OH2 TIP3 617 12.049 -42.282 -35.791 1.00 0.00 WAT +ATOM 8160 H1 TIP3 617 12.457 -42.451 -36.646 1.00 0.00 WAT +ATOM 8161 H2 TIP3 617 12.111 -41.317 -35.703 1.00 0.00 WAT +ATOM 8162 OH2 TIP3 618 -2.962 -42.813 -36.827 1.00 0.00 WAT +ATOM 8163 H1 TIP3 618 -3.860 -43.118 -36.990 1.00 0.00 WAT +ATOM 8164 H2 TIP3 618 -2.528 -43.593 -36.471 1.00 0.00 WAT +ATOM 8165 OH2 TIP3 619 -4.339 -42.821 -40.670 1.00 0.00 WAT +ATOM 8166 H1 TIP3 619 -3.821 -42.321 -41.332 1.00 0.00 WAT +ATOM 8167 H2 TIP3 619 -4.666 -42.106 -40.103 1.00 0.00 WAT +ATOM 8168 OH2 TIP3 620 1.707 -42.751 -36.740 1.00 0.00 WAT +ATOM 8169 H1 TIP3 620 2.590 -42.344 -36.724 1.00 0.00 WAT +ATOM 8170 H2 TIP3 620 1.497 -42.846 -35.810 1.00 0.00 WAT +ATOM 8171 OH2 TIP3 621 7.304 -42.722 -35.170 1.00 0.00 WAT +ATOM 8172 H1 TIP3 621 7.216 -42.702 -36.126 1.00 0.00 WAT +ATOM 8173 H2 TIP3 621 6.864 -43.585 -34.983 1.00 0.00 WAT +ATOM 8174 OH2 TIP3 622 8.258 -42.742 -39.324 1.00 0.00 WAT +ATOM 8175 H1 TIP3 622 7.480 -42.164 -39.457 1.00 0.00 WAT +ATOM 8176 H2 TIP3 622 7.853 -43.563 -39.003 1.00 0.00 WAT +ATOM 8177 OH2 TIP3 623 -4.014 -26.966 -39.659 1.00 0.00 WAT +ATOM 8178 H1 TIP3 623 -4.751 -26.975 -40.296 1.00 0.00 WAT +ATOM 8179 H2 TIP3 623 -4.017 -26.037 -39.404 1.00 0.00 WAT +ATOM 8180 OH2 TIP3 624 -2.383 -41.196 -42.221 1.00 0.00 WAT +ATOM 8181 H1 TIP3 624 -1.751 -41.630 -42.810 1.00 0.00 WAT +ATOM 8182 H2 TIP3 624 -1.784 -40.633 -41.697 1.00 0.00 WAT +ATOM 8183 OH2 TIP3 625 2.754 -40.579 -39.837 1.00 0.00 WAT +ATOM 8184 H1 TIP3 625 2.941 -41.442 -39.420 1.00 0.00 WAT +ATOM 8185 H2 TIP3 625 2.999 -39.937 -39.139 1.00 0.00 WAT +ATOM 8186 OH2 TIP3 626 4.604 -25.302 -41.456 1.00 0.00 WAT +ATOM 8187 H1 TIP3 626 5.570 -25.146 -41.369 1.00 0.00 WAT +ATOM 8188 H2 TIP3 626 4.600 -25.910 -42.220 1.00 0.00 WAT +ATOM 8189 OH2 TIP3 627 11.382 -26.134 -38.837 1.00 0.00 WAT +ATOM 8190 H1 TIP3 627 11.080 -26.960 -39.269 1.00 0.00 WAT +ATOM 8191 H2 TIP3 627 11.150 -25.457 -39.509 1.00 0.00 WAT +ATOM 8192 OH2 TIP3 628 -3.297 -41.768 -27.320 1.00 0.00 WAT +ATOM 8193 H1 TIP3 628 -3.758 -42.558 -27.003 1.00 0.00 WAT +ATOM 8194 H2 TIP3 628 -2.418 -42.157 -27.452 1.00 0.00 WAT +ATOM 8195 OH2 TIP3 629 -0.379 -42.778 -24.668 1.00 0.00 WAT +ATOM 8196 H1 TIP3 629 0.486 -43.044 -25.055 1.00 0.00 WAT +ATOM 8197 H2 TIP3 629 -0.627 -43.581 -24.196 1.00 0.00 WAT +ATOM 8198 OH2 TIP3 630 -2.068 -25.886 -42.312 1.00 0.00 WAT +ATOM 8199 H1 TIP3 630 -2.454 -25.610 -41.471 1.00 0.00 WAT +ATOM 8200 H2 TIP3 630 -1.362 -26.485 -42.049 1.00 0.00 WAT +ATOM 8201 OH2 TIP3 631 10.773 -27.337 -26.412 1.00 0.00 WAT +ATOM 8202 H1 TIP3 631 10.030 -27.522 -27.013 1.00 0.00 WAT +ATOM 8203 H2 TIP3 631 10.615 -26.396 -26.210 1.00 0.00 WAT +ATOM 8204 OH2 TIP3 632 24.971 -33.680 -36.283 1.00 0.00 WAT +ATOM 8205 H1 TIP3 632 24.972 -32.720 -36.137 1.00 0.00 WAT +ATOM 8206 H2 TIP3 632 24.185 -33.788 -36.834 1.00 0.00 WAT +ATOM 8207 OH2 TIP3 633 23.821 -34.225 -33.207 1.00 0.00 WAT +ATOM 8208 H1 TIP3 633 23.806 -34.772 -32.404 1.00 0.00 WAT +ATOM 8209 H2 TIP3 633 23.535 -34.861 -33.880 1.00 0.00 WAT +ATOM 8210 OH2 TIP3 634 16.312 -34.644 -31.542 1.00 0.00 WAT +ATOM 8211 H1 TIP3 634 16.275 -35.389 -30.913 1.00 0.00 WAT +ATOM 8212 H2 TIP3 634 16.992 -34.091 -31.130 1.00 0.00 WAT +ATOM 8213 OH2 TIP3 635 27.478 -31.489 -34.880 1.00 0.00 WAT +ATOM 8214 H1 TIP3 635 27.128 -32.193 -34.318 1.00 0.00 WAT +ATOM 8215 H2 TIP3 635 27.816 -30.873 -34.216 1.00 0.00 WAT +ATOM 8216 OH2 TIP3 636 16.960 -29.984 -33.058 1.00 0.00 WAT +ATOM 8217 H1 TIP3 636 16.710 -30.905 -33.285 1.00 0.00 WAT +ATOM 8218 H2 TIP3 636 17.879 -30.125 -32.787 1.00 0.00 WAT +ATOM 8219 OH2 TIP3 637 13.966 -36.592 -37.646 1.00 0.00 WAT +ATOM 8220 H1 TIP3 637 13.542 -35.729 -37.513 1.00 0.00 WAT +ATOM 8221 H2 TIP3 637 13.238 -37.106 -38.018 1.00 0.00 WAT +ATOM 8222 OH2 TIP3 638 14.757 -34.135 -35.787 1.00 0.00 WAT +ATOM 8223 H1 TIP3 638 14.895 -34.968 -35.293 1.00 0.00 WAT +ATOM 8224 H2 TIP3 638 15.600 -34.045 -36.250 1.00 0.00 WAT +ATOM 8225 OH2 TIP3 639 24.560 -26.117 -34.317 1.00 0.00 WAT +ATOM 8226 H1 TIP3 639 25.136 -26.835 -34.641 1.00 0.00 WAT +ATOM 8227 H2 TIP3 639 24.278 -26.462 -33.460 1.00 0.00 WAT +ATOM 8228 OH2 TIP3 640 22.307 -31.713 -32.646 1.00 0.00 WAT +ATOM 8229 H1 TIP3 640 22.637 -32.440 -33.202 1.00 0.00 WAT +ATOM 8230 H2 TIP3 640 23.111 -31.552 -32.117 1.00 0.00 WAT +ATOM 8231 OH2 TIP3 641 30.865 -40.175 -32.071 1.00 0.00 WAT +ATOM 8232 H1 TIP3 641 31.193 -39.719 -31.279 1.00 0.00 WAT +ATOM 8233 H2 TIP3 641 31.514 -39.868 -32.730 1.00 0.00 WAT +ATOM 8234 OH2 TIP3 642 25.591 -37.405 -32.113 1.00 0.00 WAT +ATOM 8235 H1 TIP3 642 25.785 -38.358 -32.101 1.00 0.00 WAT +ATOM 8236 H2 TIP3 642 25.504 -37.242 -33.066 1.00 0.00 WAT +ATOM 8237 OH2 TIP3 643 18.563 -39.414 -35.028 1.00 0.00 WAT +ATOM 8238 H1 TIP3 643 18.714 -38.560 -35.476 1.00 0.00 WAT +ATOM 8239 H2 TIP3 643 18.211 -39.939 -35.770 1.00 0.00 WAT +ATOM 8240 OH2 TIP3 644 26.436 -39.242 -36.725 1.00 0.00 WAT +ATOM 8241 H1 TIP3 644 27.027 -39.667 -36.070 1.00 0.00 WAT +ATOM 8242 H2 TIP3 644 27.080 -38.779 -37.281 1.00 0.00 WAT +ATOM 8243 OH2 TIP3 645 15.284 -36.605 -34.553 1.00 0.00 WAT +ATOM 8244 H1 TIP3 645 15.861 -37.110 -33.958 1.00 0.00 WAT +ATOM 8245 H2 TIP3 645 15.330 -37.132 -35.368 1.00 0.00 WAT +ATOM 8246 OH2 TIP3 646 20.658 -35.250 -35.100 1.00 0.00 WAT +ATOM 8247 H1 TIP3 646 21.351 -35.803 -34.690 1.00 0.00 WAT +ATOM 8248 H2 TIP3 646 20.137 -35.922 -35.577 1.00 0.00 WAT +ATOM 8249 OH2 TIP3 647 31.802 -38.478 -29.415 1.00 0.00 WAT +ATOM 8250 H1 TIP3 647 31.052 -37.961 -29.756 1.00 0.00 WAT +ATOM 8251 H2 TIP3 647 31.410 -38.890 -28.637 1.00 0.00 WAT +ATOM 8252 OH2 TIP3 648 17.372 -40.562 -30.869 1.00 0.00 WAT +ATOM 8253 H1 TIP3 648 17.024 -40.010 -31.589 1.00 0.00 WAT +ATOM 8254 H2 TIP3 648 16.701 -40.375 -30.180 1.00 0.00 WAT +ATOM 8255 OH2 TIP3 649 24.859 -30.830 -37.501 1.00 0.00 WAT +ATOM 8256 H1 TIP3 649 24.524 -31.039 -38.375 1.00 0.00 WAT +ATOM 8257 H2 TIP3 649 24.427 -29.980 -37.306 1.00 0.00 WAT +ATOM 8258 OH2 TIP3 650 20.308 -32.697 -30.767 1.00 0.00 WAT +ATOM 8259 H1 TIP3 650 19.569 -32.108 -30.502 1.00 0.00 WAT +ATOM 8260 H2 TIP3 650 20.924 -32.075 -31.193 1.00 0.00 WAT +ATOM 8261 OH2 TIP3 651 28.330 -40.131 -34.674 1.00 0.00 WAT +ATOM 8262 H1 TIP3 651 27.848 -40.602 -33.982 1.00 0.00 WAT +ATOM 8263 H2 TIP3 651 28.847 -39.498 -34.147 1.00 0.00 WAT +ATOM 8264 OH2 TIP3 652 16.976 -38.555 -32.930 1.00 0.00 WAT +ATOM 8265 H1 TIP3 652 17.603 -37.945 -32.486 1.00 0.00 WAT +ATOM 8266 H2 TIP3 652 17.547 -38.900 -33.651 1.00 0.00 WAT +ATOM 8267 OH2 TIP3 653 18.290 -30.832 -30.055 1.00 0.00 WAT +ATOM 8268 H1 TIP3 653 18.264 -29.896 -30.330 1.00 0.00 WAT +ATOM 8269 H2 TIP3 653 17.428 -30.892 -29.597 1.00 0.00 WAT +ATOM 8270 OH2 TIP3 654 14.618 -31.123 -39.186 1.00 0.00 WAT +ATOM 8271 H1 TIP3 654 14.402 -30.688 -40.035 1.00 0.00 WAT +ATOM 8272 H2 TIP3 654 14.761 -30.376 -38.571 1.00 0.00 WAT +ATOM 8273 OH2 TIP3 655 28.052 -29.667 -32.387 1.00 0.00 WAT +ATOM 8274 H1 TIP3 655 27.087 -29.525 -32.373 1.00 0.00 WAT +ATOM 8275 H2 TIP3 655 28.357 -28.821 -32.753 1.00 0.00 WAT +ATOM 8276 OH2 TIP3 656 28.488 -41.102 -30.657 1.00 0.00 WAT +ATOM 8277 H1 TIP3 656 27.681 -40.778 -31.091 1.00 0.00 WAT +ATOM 8278 H2 TIP3 656 29.150 -40.966 -31.360 1.00 0.00 WAT +ATOM 8279 OH2 TIP3 657 21.586 43.812 -33.645 1.00 0.00 WAT +ATOM 8280 H1 TIP3 657 21.544 42.855 -33.534 1.00 0.00 WAT +ATOM 8281 H2 TIP3 657 20.717 44.127 -33.324 1.00 0.00 WAT +ATOM 8282 OH2 TIP3 658 26.357 -27.723 -35.843 1.00 0.00 WAT +ATOM 8283 H1 TIP3 658 26.839 -28.524 -36.136 1.00 0.00 WAT +ATOM 8284 H2 TIP3 658 27.060 -27.048 -35.918 1.00 0.00 WAT +ATOM 8285 OH2 TIP3 659 27.789 -29.850 -37.190 1.00 0.00 WAT +ATOM 8286 H1 TIP3 659 27.300 -30.326 -37.874 1.00 0.00 WAT +ATOM 8287 H2 TIP3 659 27.775 -30.497 -36.459 1.00 0.00 WAT +ATOM 8288 OH2 TIP3 660 29.340 -31.051 -28.707 1.00 0.00 WAT +ATOM 8289 H1 TIP3 660 29.253 -31.699 -29.431 1.00 0.00 WAT +ATOM 8290 H2 TIP3 660 29.486 -30.220 -29.198 1.00 0.00 WAT +ATOM 8291 OH2 TIP3 661 23.640 -34.198 -39.068 1.00 0.00 WAT +ATOM 8292 H1 TIP3 661 22.978 -33.550 -39.377 1.00 0.00 WAT +ATOM 8293 H2 TIP3 661 24.372 -34.052 -39.684 1.00 0.00 WAT +ATOM 8294 OH2 TIP3 662 23.849 -35.900 -42.131 1.00 0.00 WAT +ATOM 8295 H1 TIP3 662 24.482 -35.620 -41.447 1.00 0.00 WAT +ATOM 8296 H2 TIP3 662 24.410 -36.517 -42.647 1.00 0.00 WAT +ATOM 8297 OH2 TIP3 663 31.104 -34.888 -30.768 1.00 0.00 WAT +ATOM 8298 H1 TIP3 663 30.393 -34.223 -30.691 1.00 0.00 WAT +ATOM 8299 H2 TIP3 663 31.598 -34.541 -31.539 1.00 0.00 WAT +ATOM 8300 OH2 TIP3 664 27.113 -34.174 -37.950 1.00 0.00 WAT +ATOM 8301 H1 TIP3 664 26.439 -33.945 -37.270 1.00 0.00 WAT +ATOM 8302 H2 TIP3 664 27.736 -34.701 -37.416 1.00 0.00 WAT +ATOM 8303 OH2 TIP3 665 26.966 -35.622 -29.102 1.00 0.00 WAT +ATOM 8304 H1 TIP3 665 27.025 -34.812 -28.567 1.00 0.00 WAT +ATOM 8305 H2 TIP3 665 26.319 -35.315 -29.762 1.00 0.00 WAT +ATOM 8306 OH2 TIP3 666 18.733 -33.372 -36.166 1.00 0.00 WAT +ATOM 8307 H1 TIP3 666 18.421 -33.813 -36.978 1.00 0.00 WAT +ATOM 8308 H2 TIP3 666 19.373 -34.017 -35.817 1.00 0.00 WAT +ATOM 8309 OH2 TIP3 667 20.103 -29.947 -33.433 1.00 0.00 WAT +ATOM 8310 H1 TIP3 667 19.977 -30.376 -34.289 1.00 0.00 WAT +ATOM 8311 H2 TIP3 667 20.882 -30.424 -33.087 1.00 0.00 WAT +ATOM 8312 OH2 TIP3 668 19.327 -34.576 -32.669 1.00 0.00 WAT +ATOM 8313 H1 TIP3 668 19.903 -34.518 -33.455 1.00 0.00 WAT +ATOM 8314 H2 TIP3 668 19.699 -33.894 -32.078 1.00 0.00 WAT +ATOM 8315 OH2 TIP3 669 25.233 -29.021 -32.083 1.00 0.00 WAT +ATOM 8316 H1 TIP3 669 25.301 -28.384 -31.355 1.00 0.00 WAT +ATOM 8317 H2 TIP3 669 25.027 -29.857 -31.631 1.00 0.00 WAT +ATOM 8318 OH2 TIP3 670 20.152 -30.247 -27.840 1.00 0.00 WAT +ATOM 8319 H1 TIP3 670 19.645 -29.583 -27.336 1.00 0.00 WAT +ATOM 8320 H2 TIP3 670 19.500 -30.504 -28.517 1.00 0.00 WAT +ATOM 8321 OH2 TIP3 671 26.219 -34.690 -40.574 1.00 0.00 WAT +ATOM 8322 H1 TIP3 671 26.610 -34.427 -39.713 1.00 0.00 WAT +ATOM 8323 H2 TIP3 671 26.837 -34.253 -41.193 1.00 0.00 WAT +ATOM 8324 OH2 TIP3 672 17.086 -33.850 -28.716 1.00 0.00 WAT +ATOM 8325 H1 TIP3 672 17.137 -33.267 -27.935 1.00 0.00 WAT +ATOM 8326 H2 TIP3 672 16.125 -33.983 -28.788 1.00 0.00 WAT +ATOM 8327 OH2 TIP3 673 23.505 -28.102 -36.943 1.00 0.00 WAT +ATOM 8328 H1 TIP3 673 24.036 -27.844 -36.178 1.00 0.00 WAT +ATOM 8329 H2 TIP3 673 23.053 -27.280 -37.182 1.00 0.00 WAT +ATOM 8330 OH2 TIP3 674 18.259 -28.087 -27.021 1.00 0.00 WAT +ATOM 8331 H1 TIP3 674 18.122 -28.036 -27.982 1.00 0.00 WAT +ATOM 8332 H2 TIP3 674 17.374 -28.326 -26.684 1.00 0.00 WAT +ATOM 8333 OH2 TIP3 675 29.396 -43.347 -41.280 1.00 0.00 WAT +ATOM 8334 H1 TIP3 675 28.923 -43.319 -40.435 1.00 0.00 WAT +ATOM 8335 H2 TIP3 675 30.062 -42.665 -41.117 1.00 0.00 WAT +ATOM 8336 OH2 TIP3 676 17.674 -34.641 -38.651 1.00 0.00 WAT +ATOM 8337 H1 TIP3 676 17.409 -33.873 -39.190 1.00 0.00 WAT +ATOM 8338 H2 TIP3 676 16.975 -35.275 -38.855 1.00 0.00 WAT +ATOM 8339 OH2 TIP3 677 30.692 -28.823 -42.463 1.00 0.00 WAT +ATOM 8340 H1 TIP3 677 30.952 -27.936 -42.166 1.00 0.00 WAT +ATOM 8341 H2 TIP3 677 31.514 -29.333 -42.367 1.00 0.00 WAT +ATOM 8342 OH2 TIP3 678 13.708 -31.963 -29.901 1.00 0.00 WAT +ATOM 8343 H1 TIP3 678 13.258 -31.974 -30.768 1.00 0.00 WAT +ATOM 8344 H2 TIP3 678 13.833 -32.914 -29.724 1.00 0.00 WAT +ATOM 8345 OH2 TIP3 679 13.764 -29.022 -32.980 1.00 0.00 WAT +ATOM 8346 H1 TIP3 679 14.683 -29.316 -32.897 1.00 0.00 WAT +ATOM 8347 H2 TIP3 679 13.689 -28.423 -32.223 1.00 0.00 WAT +ATOM 8348 OH2 TIP3 680 32.150 -28.398 -27.188 1.00 0.00 WAT +ATOM 8349 H1 TIP3 680 32.062 -29.341 -27.409 1.00 0.00 WAT +ATOM 8350 H2 TIP3 680 31.234 -28.188 -26.902 1.00 0.00 WAT +ATOM 8351 OH2 TIP3 681 22.790 -29.196 -28.403 1.00 0.00 WAT +ATOM 8352 H1 TIP3 681 22.871 -28.379 -27.868 1.00 0.00 WAT +ATOM 8353 H2 TIP3 681 21.890 -29.497 -28.164 1.00 0.00 WAT +ATOM 8354 OH2 TIP3 682 23.087 -25.389 -38.464 1.00 0.00 WAT +ATOM 8355 H1 TIP3 682 23.083 -25.278 -39.430 1.00 0.00 WAT +ATOM 8356 H2 TIP3 682 23.156 -24.477 -38.141 1.00 0.00 WAT +ATOM 8357 OH2 TIP3 683 16.874 -26.250 -36.798 1.00 0.00 WAT +ATOM 8358 H1 TIP3 683 17.053 -26.692 -35.941 1.00 0.00 WAT +ATOM 8359 H2 TIP3 683 16.029 -26.657 -37.032 1.00 0.00 WAT +ATOM 8360 OH2 TIP3 684 26.188 -25.668 -41.068 1.00 0.00 WAT +ATOM 8361 H1 TIP3 684 26.732 -26.083 -41.751 1.00 0.00 WAT +ATOM 8362 H2 TIP3 684 26.271 -26.285 -40.310 1.00 0.00 WAT +ATOM 8363 OH2 TIP3 685 25.806 -26.655 -38.534 1.00 0.00 WAT +ATOM 8364 H1 TIP3 685 24.893 -26.417 -38.312 1.00 0.00 WAT +ATOM 8365 H2 TIP3 685 26.025 -27.263 -37.808 1.00 0.00 WAT +ATOM 8366 OH2 TIP3 686 28.942 -37.093 -26.793 1.00 0.00 WAT +ATOM 8367 H1 TIP3 686 28.424 -36.676 -27.496 1.00 0.00 WAT +ATOM 8368 H2 TIP3 686 29.004 -38.012 -27.110 1.00 0.00 WAT +ATOM 8369 OH2 TIP3 687 15.905 -30.417 -28.668 1.00 0.00 WAT +ATOM 8370 H1 TIP3 687 16.165 -30.867 -27.838 1.00 0.00 WAT +ATOM 8371 H2 TIP3 687 15.158 -30.956 -28.984 1.00 0.00 WAT +ATOM 8372 OH2 TIP3 688 19.116 -42.189 -32.739 1.00 0.00 WAT +ATOM 8373 H1 TIP3 688 18.296 -42.460 -33.177 1.00 0.00 WAT +ATOM 8374 H2 TIP3 688 18.835 -41.366 -32.311 1.00 0.00 WAT +ATOM 8375 OH2 TIP3 689 23.666 -42.621 -29.157 1.00 0.00 WAT +ATOM 8376 H1 TIP3 689 23.838 -43.095 -28.338 1.00 0.00 WAT +ATOM 8377 H2 TIP3 689 22.718 -42.772 -29.271 1.00 0.00 WAT +ATOM 8378 OH2 TIP3 690 26.646 -38.632 -28.730 1.00 0.00 WAT +ATOM 8379 H1 TIP3 690 26.044 -38.743 -27.972 1.00 0.00 WAT +ATOM 8380 H2 TIP3 690 26.580 -37.681 -28.925 1.00 0.00 WAT +ATOM 8381 OH2 TIP3 691 28.364 -33.846 -42.522 1.00 0.00 WAT +ATOM 8382 H1 TIP3 691 28.002 -33.957 -43.410 1.00 0.00 WAT +ATOM 8383 H2 TIP3 691 28.756 -32.967 -42.613 1.00 0.00 WAT +ATOM 8384 OH2 TIP3 692 23.279 -39.976 -42.141 1.00 0.00 WAT +ATOM 8385 H1 TIP3 692 22.734 -39.950 -41.329 1.00 0.00 WAT +ATOM 8386 H2 TIP3 692 22.777 -40.630 -42.641 1.00 0.00 WAT +ATOM 8387 OH2 TIP3 693 18.953 -37.157 -31.474 1.00 0.00 WAT +ATOM 8388 H1 TIP3 693 18.356 -37.039 -30.715 1.00 0.00 WAT +ATOM 8389 H2 TIP3 693 19.021 -36.244 -31.829 1.00 0.00 WAT +ATOM 8390 OH2 TIP3 694 18.889 -37.081 -36.592 1.00 0.00 WAT +ATOM 8391 H1 TIP3 694 17.931 -37.192 -36.744 1.00 0.00 WAT +ATOM 8392 H2 TIP3 694 19.232 -37.269 -37.487 1.00 0.00 WAT +ATOM 8393 OH2 TIP3 695 24.564 -36.546 -37.865 1.00 0.00 WAT +ATOM 8394 H1 TIP3 695 24.160 -35.705 -38.170 1.00 0.00 WAT +ATOM 8395 H2 TIP3 695 25.215 -36.706 -38.566 1.00 0.00 WAT +ATOM 8396 OH2 TIP3 696 23.701 -36.329 -26.503 1.00 0.00 WAT +ATOM 8397 H1 TIP3 696 23.178 -37.054 -26.107 1.00 0.00 WAT +ATOM 8398 H2 TIP3 696 24.562 -36.433 -26.055 1.00 0.00 WAT +ATOM 8399 OH2 TIP3 697 25.364 -37.122 -35.048 1.00 0.00 WAT +ATOM 8400 H1 TIP3 697 25.084 -36.533 -35.777 1.00 0.00 WAT +ATOM 8401 H2 TIP3 697 25.557 -37.932 -35.560 1.00 0.00 WAT +ATOM 8402 OH2 TIP3 698 16.333 -36.974 -29.663 1.00 0.00 WAT +ATOM 8403 H1 TIP3 698 16.560 -36.677 -28.774 1.00 0.00 WAT +ATOM 8404 H2 TIP3 698 15.916 -37.838 -29.472 1.00 0.00 WAT +ATOM 8405 OH2 TIP3 699 20.047 -39.576 -43.154 1.00 0.00 WAT +ATOM 8406 H1 TIP3 699 19.732 -39.852 -42.275 1.00 0.00 WAT +ATOM 8407 H2 TIP3 699 19.280 -39.061 -43.472 1.00 0.00 WAT +ATOM 8408 OH2 TIP3 700 13.163 -39.459 -36.046 1.00 0.00 WAT +ATOM 8409 H1 TIP3 700 13.685 -39.565 -35.226 1.00 0.00 WAT +ATOM 8410 H2 TIP3 700 13.650 -39.975 -36.701 1.00 0.00 WAT +ATOM 8411 OH2 TIP3 701 14.686 -39.112 -40.393 1.00 0.00 WAT +ATOM 8412 H1 TIP3 701 15.258 -38.602 -40.998 1.00 0.00 WAT +ATOM 8413 H2 TIP3 701 14.022 -38.439 -40.152 1.00 0.00 WAT +ATOM 8414 OH2 TIP3 702 24.452 -35.432 -30.592 1.00 0.00 WAT +ATOM 8415 H1 TIP3 702 24.889 -36.165 -31.082 1.00 0.00 WAT +ATOM 8416 H2 TIP3 702 24.123 -35.892 -29.807 1.00 0.00 WAT +ATOM 8417 OH2 TIP3 703 21.661 -39.443 -35.613 1.00 0.00 WAT +ATOM 8418 H1 TIP3 703 20.724 -39.571 -35.390 1.00 0.00 WAT +ATOM 8419 H2 TIP3 703 22.095 -39.714 -34.787 1.00 0.00 WAT +ATOM 8420 OH2 TIP3 704 16.272 -38.263 -36.927 1.00 0.00 WAT +ATOM 8421 H1 TIP3 704 15.418 -38.011 -37.323 1.00 0.00 WAT +ATOM 8422 H2 TIP3 704 16.500 -39.094 -37.384 1.00 0.00 WAT +ATOM 8423 OH2 TIP3 705 19.835 -37.878 -39.227 1.00 0.00 WAT +ATOM 8424 H1 TIP3 705 20.804 -37.818 -39.170 1.00 0.00 WAT +ATOM 8425 H2 TIP3 705 19.603 -37.276 -39.954 1.00 0.00 WAT +ATOM 8426 OH2 TIP3 706 26.005 -40.326 -32.561 1.00 0.00 WAT +ATOM 8427 H1 TIP3 706 25.379 -40.345 -31.808 1.00 0.00 WAT +ATOM 8428 H2 TIP3 706 25.417 -40.636 -33.271 1.00 0.00 WAT +ATOM 8429 OH2 TIP3 707 18.434 -36.732 -41.579 1.00 0.00 WAT +ATOM 8430 H1 TIP3 707 17.798 -37.211 -42.133 1.00 0.00 WAT +ATOM 8431 H2 TIP3 707 19.174 -36.568 -42.178 1.00 0.00 WAT +ATOM 8432 OH2 TIP3 708 29.021 -24.483 -25.874 1.00 0.00 WAT +ATOM 8433 H1 TIP3 708 29.348 -24.225 -26.746 1.00 0.00 WAT +ATOM 8434 H2 TIP3 708 29.783 -24.290 -25.293 1.00 0.00 WAT +ATOM 8435 OH2 TIP3 709 16.971 -31.950 -26.470 1.00 0.00 WAT +ATOM 8436 H1 TIP3 709 17.641 -31.860 -25.759 1.00 0.00 WAT +ATOM 8437 H2 TIP3 709 16.162 -31.965 -25.920 1.00 0.00 WAT +ATOM 8438 OH2 TIP3 710 22.683 -36.939 -33.748 1.00 0.00 WAT +ATOM 8439 H1 TIP3 710 23.410 -37.384 -34.208 1.00 0.00 WAT +ATOM 8440 H2 TIP3 710 22.508 -37.551 -33.006 1.00 0.00 WAT +ATOM 8441 OH2 TIP3 711 17.830 -40.669 -37.583 1.00 0.00 WAT +ATOM 8442 H1 TIP3 711 17.354 -41.506 -37.438 1.00 0.00 WAT +ATOM 8443 H2 TIP3 711 18.705 -40.977 -37.862 1.00 0.00 WAT +ATOM 8444 OH2 TIP3 712 21.653 -38.478 -31.493 1.00 0.00 WAT +ATOM 8445 H1 TIP3 712 20.883 -37.884 -31.488 1.00 0.00 WAT +ATOM 8446 H2 TIP3 712 22.137 -38.213 -30.684 1.00 0.00 WAT +ATOM 8447 OH2 TIP3 713 21.821 -32.121 -39.600 1.00 0.00 WAT +ATOM 8448 H1 TIP3 713 21.037 -32.595 -39.945 1.00 0.00 WAT +ATOM 8449 H2 TIP3 713 21.608 -32.038 -38.639 1.00 0.00 WAT +ATOM 8450 OH2 TIP3 714 29.019 -32.937 -30.867 1.00 0.00 WAT +ATOM 8451 H1 TIP3 714 29.523 -32.393 -31.512 1.00 0.00 WAT +ATOM 8452 H2 TIP3 714 28.165 -33.039 -31.330 1.00 0.00 WAT +ATOM 8453 OH2 TIP3 715 25.946 -39.240 -41.968 1.00 0.00 WAT +ATOM 8454 H1 TIP3 715 24.978 -39.359 -41.860 1.00 0.00 WAT +ATOM 8455 H2 TIP3 715 26.183 -38.587 -41.276 1.00 0.00 WAT +ATOM 8456 OH2 TIP3 716 23.442 -32.078 -28.281 1.00 0.00 WAT +ATOM 8457 H1 TIP3 716 23.136 -32.406 -27.423 1.00 0.00 WAT +ATOM 8458 H2 TIP3 716 23.119 -31.164 -28.280 1.00 0.00 WAT +ATOM 8459 OH2 TIP3 717 26.568 -37.506 -39.908 1.00 0.00 WAT +ATOM 8460 H1 TIP3 717 27.416 -37.659 -39.441 1.00 0.00 WAT +ATOM 8461 H2 TIP3 717 26.700 -36.613 -40.276 1.00 0.00 WAT +ATOM 8462 OH2 TIP3 718 16.940 -32.700 -33.775 1.00 0.00 WAT +ATOM 8463 H1 TIP3 718 17.493 -32.820 -34.565 1.00 0.00 WAT +ATOM 8464 H2 TIP3 718 17.020 -33.563 -33.337 1.00 0.00 WAT +ATOM 8465 OH2 TIP3 719 24.235 -30.752 -40.705 1.00 0.00 WAT +ATOM 8466 H1 TIP3 719 23.960 -29.870 -40.378 1.00 0.00 WAT +ATOM 8467 H2 TIP3 719 23.472 -31.287 -40.416 1.00 0.00 WAT +ATOM 8468 OH2 TIP3 720 14.190 -34.437 -28.524 1.00 0.00 WAT +ATOM 8469 H1 TIP3 720 14.337 -34.874 -27.662 1.00 0.00 WAT +ATOM 8470 H2 TIP3 720 13.579 -35.047 -28.971 1.00 0.00 WAT +ATOM 8471 OH2 TIP3 721 21.162 -34.925 -26.533 1.00 0.00 WAT +ATOM 8472 H1 TIP3 721 20.805 -35.179 -27.401 1.00 0.00 WAT +ATOM 8473 H2 TIP3 721 22.094 -35.191 -26.635 1.00 0.00 WAT +ATOM 8474 OH2 TIP3 722 25.727 -29.385 -28.824 1.00 0.00 WAT +ATOM 8475 H1 TIP3 722 24.756 -29.390 -28.877 1.00 0.00 WAT +ATOM 8476 H2 TIP3 722 25.869 -29.224 -27.875 1.00 0.00 WAT +ATOM 8477 OH2 TIP3 723 31.277 -37.372 -40.012 1.00 0.00 WAT +ATOM 8478 H1 TIP3 723 30.622 -37.542 -40.714 1.00 0.00 WAT +ATOM 8479 H2 TIP3 723 31.400 -36.416 -40.158 1.00 0.00 WAT +ATOM 8480 OH2 TIP3 724 31.676 -31.419 -27.234 1.00 0.00 WAT +ATOM 8481 H1 TIP3 724 30.743 -31.189 -27.427 1.00 0.00 WAT +ATOM 8482 H2 TIP3 724 32.015 -31.583 -28.137 1.00 0.00 WAT +ATOM 8483 OH2 TIP3 725 29.386 -28.831 -39.945 1.00 0.00 WAT +ATOM 8484 H1 TIP3 725 29.276 -29.596 -39.365 1.00 0.00 WAT +ATOM 8485 H2 TIP3 725 29.851 -29.196 -40.714 1.00 0.00 WAT +ATOM 8486 OH2 TIP3 726 26.669 -33.497 -32.564 1.00 0.00 WAT +ATOM 8487 H1 TIP3 726 25.737 -33.658 -32.804 1.00 0.00 WAT +ATOM 8488 H2 TIP3 726 27.113 -34.217 -33.054 1.00 0.00 WAT +ATOM 8489 OH2 TIP3 727 19.314 -29.434 -36.566 1.00 0.00 WAT +ATOM 8490 H1 TIP3 727 19.724 -28.559 -36.646 1.00 0.00 WAT +ATOM 8491 H2 TIP3 727 18.384 -29.234 -36.734 1.00 0.00 WAT +ATOM 8492 OH2 TIP3 728 15.383 -34.514 -41.988 1.00 0.00 WAT +ATOM 8493 H1 TIP3 728 15.920 -33.849 -41.516 1.00 0.00 WAT +ATOM 8494 H2 TIP3 728 14.480 -34.307 -41.676 1.00 0.00 WAT +ATOM 8495 OH2 TIP3 729 21.132 -31.728 -36.929 1.00 0.00 WAT +ATOM 8496 H1 TIP3 729 20.834 -30.819 -36.758 1.00 0.00 WAT +ATOM 8497 H2 TIP3 729 20.439 -32.235 -36.480 1.00 0.00 WAT +ATOM 8498 OH2 TIP3 730 21.305 -27.470 -30.557 1.00 0.00 WAT +ATOM 8499 H1 TIP3 730 21.867 -26.721 -30.817 1.00 0.00 WAT +ATOM 8500 H2 TIP3 730 21.905 -27.964 -29.975 1.00 0.00 WAT +ATOM 8501 OH2 TIP3 731 19.747 -26.518 -37.352 1.00 0.00 WAT +ATOM 8502 H1 TIP3 731 18.791 -26.389 -37.236 1.00 0.00 WAT +ATOM 8503 H2 TIP3 731 20.094 -25.650 -37.078 1.00 0.00 WAT +ATOM 8504 OH2 TIP3 732 24.715 -31.712 -30.977 1.00 0.00 WAT +ATOM 8505 H1 TIP3 732 24.421 -32.001 -30.095 1.00 0.00 WAT +ATOM 8506 H2 TIP3 732 25.452 -32.320 -31.153 1.00 0.00 WAT +ATOM 8507 OH2 TIP3 733 26.839 -30.427 -41.997 1.00 0.00 WAT +ATOM 8508 H1 TIP3 733 27.392 -30.746 -41.257 1.00 0.00 WAT +ATOM 8509 H2 TIP3 733 25.967 -30.530 -41.579 1.00 0.00 WAT +ATOM 8510 OH2 TIP3 734 27.681 -27.101 -28.636 1.00 0.00 WAT +ATOM 8511 H1 TIP3 734 26.929 -27.617 -28.990 1.00 0.00 WAT +ATOM 8512 H2 TIP3 734 27.681 -26.328 -29.215 1.00 0.00 WAT +ATOM 8513 OH2 TIP3 735 31.737 -25.967 -41.608 1.00 0.00 WAT +ATOM 8514 H1 TIP3 735 32.478 -25.352 -41.398 1.00 0.00 WAT +ATOM 8515 H2 TIP3 735 30.969 -25.415 -41.374 1.00 0.00 WAT +ATOM 8516 OH2 TIP3 736 15.522 -39.613 -28.930 1.00 0.00 WAT +ATOM 8517 H1 TIP3 736 14.608 -39.425 -29.239 1.00 0.00 WAT +ATOM 8518 H2 TIP3 736 15.360 -40.474 -28.487 1.00 0.00 WAT +ATOM 8519 OH2 TIP3 737 27.846 -31.859 -39.702 1.00 0.00 WAT +ATOM 8520 H1 TIP3 737 27.604 -32.540 -39.050 1.00 0.00 WAT +ATOM 8521 H2 TIP3 737 28.817 -31.845 -39.611 1.00 0.00 WAT +ATOM 8522 OH2 TIP3 738 15.281 -28.044 -30.525 1.00 0.00 WAT +ATOM 8523 H1 TIP3 738 15.570 -28.941 -30.298 1.00 0.00 WAT +ATOM 8524 H2 TIP3 738 15.444 -27.588 -29.689 1.00 0.00 WAT +ATOM 8525 OH2 TIP3 739 21.353 -29.402 -43.278 1.00 0.00 WAT +ATOM 8526 H1 TIP3 739 21.743 -30.252 -43.538 1.00 0.00 WAT +ATOM 8527 H2 TIP3 739 20.824 -29.669 -42.500 1.00 0.00 WAT +ATOM 8528 OH2 TIP3 740 19.932 -29.845 -40.764 1.00 0.00 WAT +ATOM 8529 H1 TIP3 740 20.429 -30.369 -40.120 1.00 0.00 WAT +ATOM 8530 H2 TIP3 740 20.125 -28.928 -40.485 1.00 0.00 WAT +ATOM 8531 OH2 TIP3 741 16.787 -32.476 -40.366 1.00 0.00 WAT +ATOM 8532 H1 TIP3 741 16.030 -32.073 -39.889 1.00 0.00 WAT +ATOM 8533 H2 TIP3 741 17.250 -31.678 -40.665 1.00 0.00 WAT +ATOM 8534 OH2 TIP3 742 24.430 -40.085 -30.275 1.00 0.00 WAT +ATOM 8535 H1 TIP3 742 25.041 -39.811 -29.578 1.00 0.00 WAT +ATOM 8536 H2 TIP3 742 24.055 -40.915 -29.925 1.00 0.00 WAT +ATOM 8537 OH2 TIP3 743 25.236 -40.496 -39.229 1.00 0.00 WAT +ATOM 8538 H1 TIP3 743 25.377 -39.838 -39.924 1.00 0.00 WAT +ATOM 8539 H2 TIP3 743 25.570 -40.026 -38.448 1.00 0.00 WAT +ATOM 8540 OH2 TIP3 744 22.867 -28.268 -40.293 1.00 0.00 WAT +ATOM 8541 H1 TIP3 744 22.101 -27.745 -40.010 1.00 0.00 WAT +ATOM 8542 H2 TIP3 744 23.398 -27.595 -40.736 1.00 0.00 WAT +ATOM 8543 OH2 TIP3 745 22.541 -38.497 -38.122 1.00 0.00 WAT +ATOM 8544 H1 TIP3 745 23.292 -37.887 -37.971 1.00 0.00 WAT +ATOM 8545 H2 TIP3 745 22.234 -38.665 -37.207 1.00 0.00 WAT +ATOM 8546 OH2 TIP3 746 22.883 -37.608 -29.006 1.00 0.00 WAT +ATOM 8547 H1 TIP3 746 22.947 -37.093 -28.183 1.00 0.00 WAT +ATOM 8548 H2 TIP3 746 23.447 -38.366 -28.814 1.00 0.00 WAT +ATOM 8549 OH2 TIP3 747 23.296 -41.708 -37.120 1.00 0.00 WAT +ATOM 8550 H1 TIP3 747 22.953 -40.960 -36.605 1.00 0.00 WAT +ATOM 8551 H2 TIP3 747 23.811 -41.256 -37.809 1.00 0.00 WAT +ATOM 8552 OH2 TIP3 748 20.074 -27.069 -40.250 1.00 0.00 WAT +ATOM 8553 H1 TIP3 748 20.116 -26.211 -40.720 1.00 0.00 WAT +ATOM 8554 H2 TIP3 748 19.943 -26.791 -39.324 1.00 0.00 WAT +ATOM 8555 OH2 TIP3 749 18.824 -40.435 -40.760 1.00 0.00 WAT +ATOM 8556 H1 TIP3 749 18.749 -39.676 -40.157 1.00 0.00 WAT +ATOM 8557 H2 TIP3 749 19.652 -40.835 -40.437 1.00 0.00 WAT +ATOM 8558 OH2 TIP3 750 29.257 -39.636 -28.176 1.00 0.00 WAT +ATOM 8559 H1 TIP3 750 28.292 -39.518 -28.272 1.00 0.00 WAT +ATOM 8560 H2 TIP3 750 29.460 -39.881 -29.090 1.00 0.00 WAT +ATOM 8561 OH2 TIP3 751 27.671 -35.744 -34.087 1.00 0.00 WAT +ATOM 8562 H1 TIP3 751 26.851 -36.203 -34.347 1.00 0.00 WAT +ATOM 8563 H2 TIP3 751 28.164 -36.454 -33.617 1.00 0.00 WAT +ATOM 8564 OH2 TIP3 752 17.194 -29.497 -41.573 1.00 0.00 WAT +ATOM 8565 H1 TIP3 752 18.016 -29.222 -41.134 1.00 0.00 WAT +ATOM 8566 H2 TIP3 752 17.557 -30.021 -42.304 1.00 0.00 WAT +ATOM 8567 OH2 TIP3 753 15.469 -37.335 -42.573 1.00 0.00 WAT +ATOM 8568 H1 TIP3 753 15.582 -36.381 -42.386 1.00 0.00 WAT +ATOM 8569 H2 TIP3 753 14.549 -37.355 -42.891 1.00 0.00 WAT +ATOM 8570 OH2 TIP3 754 28.637 -26.783 -32.523 1.00 0.00 WAT +ATOM 8571 H1 TIP3 754 28.501 -26.026 -33.123 1.00 0.00 WAT +ATOM 8572 H2 TIP3 754 29.595 -26.733 -32.394 1.00 0.00 WAT +ATOM 8573 OH2 TIP3 755 15.508 -42.410 -33.529 1.00 0.00 WAT +ATOM 8574 H1 TIP3 755 15.914 -42.445 -34.403 1.00 0.00 WAT +ATOM 8575 H2 TIP3 755 15.684 -43.316 -33.234 1.00 0.00 WAT +ATOM 8576 OH2 TIP3 756 15.189 -28.858 -37.466 1.00 0.00 WAT +ATOM 8577 H1 TIP3 756 14.396 -28.355 -37.241 1.00 0.00 WAT +ATOM 8578 H2 TIP3 756 15.561 -28.349 -38.199 1.00 0.00 WAT +ATOM 8579 OH2 TIP3 757 14.580 -25.963 -26.254 1.00 0.00 WAT +ATOM 8580 H1 TIP3 757 15.152 -26.237 -25.511 1.00 0.00 WAT +ATOM 8581 H2 TIP3 757 14.189 -26.815 -26.529 1.00 0.00 WAT +ATOM 8582 OH2 TIP3 758 19.282 -26.917 -24.508 1.00 0.00 WAT +ATOM 8583 H1 TIP3 758 19.976 -27.553 -24.282 1.00 0.00 WAT +ATOM 8584 H2 TIP3 758 19.065 -27.188 -25.415 1.00 0.00 WAT +ATOM 8585 OH2 TIP3 759 23.527 -27.557 -43.300 1.00 0.00 WAT +ATOM 8586 H1 TIP3 759 22.726 -28.116 -43.248 1.00 0.00 WAT +ATOM 8587 H2 TIP3 759 24.187 -28.220 -43.555 1.00 0.00 WAT +ATOM 8588 OH2 TIP3 760 25.810 -28.673 -25.950 1.00 0.00 WAT +ATOM 8589 H1 TIP3 760 25.380 -29.453 -25.554 1.00 0.00 WAT +ATOM 8590 H2 TIP3 760 26.464 -28.434 -25.268 1.00 0.00 WAT +ATOM 8591 OH2 TIP3 761 27.068 -28.172 43.119 1.00 0.00 WAT +ATOM 8592 H1 TIP3 761 27.061 -28.914 43.744 1.00 0.00 WAT +ATOM 8593 H2 TIP3 761 27.959 -28.206 42.761 1.00 0.00 WAT +ATOM 8594 OH2 TIP3 762 14.563 -32.351 -25.172 1.00 0.00 WAT +ATOM 8595 H1 TIP3 762 14.641 -33.260 -25.504 1.00 0.00 WAT +ATOM 8596 H2 TIP3 762 13.785 -32.040 -25.673 1.00 0.00 WAT +ATOM 8597 OH2 TIP3 763 18.811 -31.797 -43.079 1.00 0.00 WAT +ATOM 8598 H1 TIP3 763 18.976 -32.452 -42.387 1.00 0.00 WAT +ATOM 8599 H2 TIP3 763 19.539 -31.939 -43.700 1.00 0.00 WAT +ATOM 8600 OH2 TIP3 764 21.207 -32.157 -25.833 1.00 0.00 WAT +ATOM 8601 H1 TIP3 764 20.869 -31.827 -26.682 1.00 0.00 WAT +ATOM 8602 H2 TIP3 764 21.251 -33.125 -25.977 1.00 0.00 WAT +ATOM 8603 OH2 TIP3 765 24.097 -30.774 -43.469 1.00 0.00 WAT +ATOM 8604 H1 TIP3 765 24.255 -30.616 -42.519 1.00 0.00 WAT +ATOM 8605 H2 TIP3 765 24.759 -31.444 -43.681 1.00 0.00 WAT +ATOM 8606 OH2 TIP3 766 26.557 -32.544 -28.441 1.00 0.00 WAT +ATOM 8607 H1 TIP3 766 27.333 -31.992 -28.627 1.00 0.00 WAT +ATOM 8608 H2 TIP3 766 25.847 -31.884 -28.435 1.00 0.00 WAT +ATOM 8609 OH2 TIP3 767 15.419 -35.222 -25.997 1.00 0.00 WAT +ATOM 8610 H1 TIP3 767 16.152 -35.859 -25.974 1.00 0.00 WAT +ATOM 8611 H2 TIP3 767 15.361 -34.986 -25.056 1.00 0.00 WAT +ATOM 8612 OH2 TIP3 768 19.837 -33.841 -40.911 1.00 0.00 WAT +ATOM 8613 H1 TIP3 768 19.222 -34.283 -40.304 1.00 0.00 WAT +ATOM 8614 H2 TIP3 768 20.183 -34.592 -41.427 1.00 0.00 WAT +ATOM 8615 OH2 TIP3 769 19.076 -36.089 -28.554 1.00 0.00 WAT +ATOM 8616 H1 TIP3 769 18.526 -35.307 -28.360 1.00 0.00 WAT +ATOM 8617 H2 TIP3 769 19.718 -35.723 -29.188 1.00 0.00 WAT +ATOM 8618 OH2 TIP3 770 21.035 -35.751 -42.734 1.00 0.00 WAT +ATOM 8619 H1 TIP3 770 21.064 -35.983 -43.672 1.00 0.00 WAT +ATOM 8620 H2 TIP3 770 21.989 -35.769 -42.506 1.00 0.00 WAT +ATOM 8621 OH2 TIP3 771 24.374 -33.379 -25.018 1.00 0.00 WAT +ATOM 8622 H1 TIP3 771 25.283 -33.564 -25.295 1.00 0.00 WAT +ATOM 8623 H2 TIP3 771 24.127 -34.208 -24.587 1.00 0.00 WAT +ATOM 8624 OH2 TIP3 772 19.669 -38.785 -27.455 1.00 0.00 WAT +ATOM 8625 H1 TIP3 772 19.736 -39.435 -28.172 1.00 0.00 WAT +ATOM 8626 H2 TIP3 772 19.453 -37.971 -27.945 1.00 0.00 WAT +ATOM 8627 OH2 TIP3 773 20.047 -40.381 -30.030 1.00 0.00 WAT +ATOM 8628 H1 TIP3 773 20.565 -39.818 -30.641 1.00 0.00 WAT +ATOM 8629 H2 TIP3 773 19.134 -40.273 -30.366 1.00 0.00 WAT +ATOM 8630 OH2 TIP3 774 21.553 -34.876 -29.569 1.00 0.00 WAT +ATOM 8631 H1 TIP3 774 22.389 -34.947 -30.053 1.00 0.00 WAT +ATOM 8632 H2 TIP3 774 21.233 -34.003 -29.868 1.00 0.00 WAT +ATOM 8633 OH2 TIP3 775 26.111 -36.932 -24.797 1.00 0.00 WAT +ATOM 8634 H1 TIP3 775 26.333 -37.861 -24.629 1.00 0.00 WAT +ATOM 8635 H2 TIP3 775 26.991 -36.524 -24.832 1.00 0.00 WAT +ATOM 8636 OH2 TIP3 776 27.107 -34.161 -26.308 1.00 0.00 WAT +ATOM 8637 H1 TIP3 776 26.748 -33.542 -26.978 1.00 0.00 WAT +ATOM 8638 H2 TIP3 776 28.009 -34.282 -26.667 1.00 0.00 WAT +ATOM 8639 OH2 TIP3 777 17.894 -36.965 -25.609 1.00 0.00 WAT +ATOM 8640 H1 TIP3 777 17.356 -37.774 -25.608 1.00 0.00 WAT +ATOM 8641 H2 TIP3 777 18.690 -37.261 -26.077 1.00 0.00 WAT +ATOM 8642 OH2 TIP3 778 20.530 -42.778 -28.809 1.00 0.00 WAT +ATOM 8643 H1 TIP3 778 20.633 -41.869 -29.160 1.00 0.00 WAT +ATOM 8644 H2 TIP3 778 19.602 -42.925 -29.034 1.00 0.00 WAT +ATOM 8645 OH2 TIP3 779 22.005 -38.451 -25.856 1.00 0.00 WAT +ATOM 8646 H1 TIP3 779 21.675 -38.705 -24.976 1.00 0.00 WAT +ATOM 8647 H2 TIP3 779 21.196 -38.629 -26.381 1.00 0.00 WAT +ATOM 8648 OH2 TIP3 780 24.582 -39.451 -26.877 1.00 0.00 WAT +ATOM 8649 H1 TIP3 780 23.689 -39.287 -26.518 1.00 0.00 WAT +ATOM 8650 H2 TIP3 780 24.935 -40.086 -26.234 1.00 0.00 WAT +ATOM 8651 OH2 TIP3 781 26.420 -41.388 -25.129 1.00 0.00 WAT +ATOM 8652 H1 TIP3 781 26.103 -42.240 -24.805 1.00 0.00 WAT +ATOM 8653 H2 TIP3 781 26.159 -40.773 -24.424 1.00 0.00 WAT +ATOM 8654 OH2 TIP3 782 16.681 -39.605 -25.749 1.00 0.00 WAT +ATOM 8655 H1 TIP3 782 16.396 -40.203 -26.462 1.00 0.00 WAT +ATOM 8656 H2 TIP3 782 16.212 -39.967 -24.982 1.00 0.00 WAT +ATOM 8657 OH2 TIP3 783 21.631 -41.461 -24.749 1.00 0.00 WAT +ATOM 8658 H1 TIP3 783 21.392 -42.280 -25.220 1.00 0.00 WAT +ATOM 8659 H2 TIP3 783 20.782 -40.986 -24.688 1.00 0.00 WAT +ATOM 8660 OH2 TIP3 784 20.628 -24.577 -41.706 1.00 0.00 WAT +ATOM 8661 H1 TIP3 784 21.591 -24.479 -41.628 1.00 0.00 WAT +ATOM 8662 H2 TIP3 784 20.398 -23.979 -42.434 1.00 0.00 WAT +ATOM 8663 OH2 TIP3 785 14.487 -30.521 -41.940 1.00 0.00 WAT +ATOM 8664 H1 TIP3 785 15.391 -30.163 -41.988 1.00 0.00 WAT +ATOM 8665 H2 TIP3 785 14.412 -31.052 -42.748 1.00 0.00 WAT +ATOM 8666 OH2 TIP3 786 13.506 -25.011 -37.199 1.00 0.00 WAT +ATOM 8667 H1 TIP3 786 12.787 -25.372 -37.757 1.00 0.00 WAT +ATOM 8668 H2 TIP3 786 13.563 -25.692 -36.497 1.00 0.00 WAT +ATOM 8669 OH2 TIP3 787 13.881 -26.982 -35.202 1.00 0.00 WAT +ATOM 8670 H1 TIP3 787 13.580 -27.853 -34.889 1.00 0.00 WAT +ATOM 8671 H2 TIP3 787 14.198 -26.623 -34.358 1.00 0.00 WAT +ATOM 8672 OH2 TIP3 788 31.381 -25.500 -32.037 1.00 0.00 WAT +ATOM 8673 H1 TIP3 788 31.716 -25.813 -31.188 1.00 0.00 WAT +ATOM 8674 H2 TIP3 788 32.184 -25.476 -32.578 1.00 0.00 WAT +ATOM 8675 OH2 TIP3 789 31.279 -26.184 -29.195 1.00 0.00 WAT +ATOM 8676 H1 TIP3 789 30.792 -26.916 -29.619 1.00 0.00 WAT +ATOM 8677 H2 TIP3 789 31.864 -26.705 -28.619 1.00 0.00 WAT +ATOM 8678 OH2 TIP3 790 29.305 -30.850 -25.022 1.00 0.00 WAT +ATOM 8679 H1 TIP3 790 28.422 -30.765 -24.623 1.00 0.00 WAT +ATOM 8680 H2 TIP3 790 29.761 -30.050 -24.709 1.00 0.00 WAT +ATOM 8681 OH2 TIP3 791 30.704 -32.020 -39.314 1.00 0.00 WAT +ATOM 8682 H1 TIP3 791 31.580 -31.597 -39.194 1.00 0.00 WAT +ATOM 8683 H2 TIP3 791 30.709 -32.632 -38.552 1.00 0.00 WAT +ATOM 8684 OH2 TIP3 792 31.162 -34.026 -37.338 1.00 0.00 WAT +ATOM 8685 H1 TIP3 792 30.506 -34.565 -36.856 1.00 0.00 WAT +ATOM 8686 H2 TIP3 792 31.853 -33.856 -36.664 1.00 0.00 WAT +ATOM 8687 OH2 TIP3 793 30.870 -31.494 -32.354 1.00 0.00 WAT +ATOM 8688 H1 TIP3 793 31.505 -31.975 -32.906 1.00 0.00 WAT +ATOM 8689 H2 TIP3 793 31.083 -30.572 -32.597 1.00 0.00 WAT +ATOM 8690 OH2 TIP3 794 29.634 -28.571 -30.085 1.00 0.00 WAT +ATOM 8691 H1 TIP3 794 28.886 -28.178 -29.603 1.00 0.00 WAT +ATOM 8692 H2 TIP3 794 29.196 -28.947 -30.874 1.00 0.00 WAT +ATOM 8693 OH2 TIP3 795 31.418 -34.358 -41.075 1.00 0.00 WAT +ATOM 8694 H1 TIP3 795 30.839 -33.988 -41.757 1.00 0.00 WAT +ATOM 8695 H2 TIP3 795 31.284 -33.702 -40.369 1.00 0.00 WAT +ATOM 8696 OH2 TIP3 796 29.627 -36.970 -42.197 1.00 0.00 WAT +ATOM 8697 H1 TIP3 796 29.986 -36.206 -42.678 1.00 0.00 WAT +ATOM 8698 H2 TIP3 796 30.110 -37.700 -42.595 1.00 0.00 WAT +ATOM 8699 OH2 TIP3 797 29.089 -35.856 -36.498 1.00 0.00 WAT +ATOM 8700 H1 TIP3 797 29.004 -36.809 -36.655 1.00 0.00 WAT +ATOM 8701 H2 TIP3 797 28.721 -35.757 -35.597 1.00 0.00 WAT +ATOM 8702 OH2 TIP3 798 13.949 -33.641 -32.801 1.00 0.00 WAT +ATOM 8703 H1 TIP3 798 14.203 -33.589 -33.737 1.00 0.00 WAT +ATOM 8704 H2 TIP3 798 14.812 -33.858 -32.393 1.00 0.00 WAT +ATOM 8705 OH2 TIP3 799 29.709 -33.928 -27.345 1.00 0.00 WAT +ATOM 8706 H1 TIP3 799 30.456 -34.536 -27.186 1.00 0.00 WAT +ATOM 8707 H2 TIP3 799 30.157 -33.097 -27.554 1.00 0.00 WAT +ATOM 8708 OH2 TIP3 800 31.265 -35.838 -26.134 1.00 0.00 WAT +ATOM 8709 H1 TIP3 800 30.472 -36.365 -26.369 1.00 0.00 WAT +ATOM 8710 H2 TIP3 800 31.962 -36.518 -26.157 1.00 0.00 WAT +ATOM 8711 OH2 TIP3 801 28.906 -40.227 -43.406 1.00 0.00 WAT +ATOM 8712 H1 TIP3 801 29.502 -40.441 -42.675 1.00 0.00 WAT +ATOM 8713 H2 TIP3 801 28.027 -40.445 -43.063 1.00 0.00 WAT +ATOM 8714 OH2 TIP3 802 28.864 -38.266 -38.366 1.00 0.00 WAT +ATOM 8715 H1 TIP3 802 29.080 -39.224 -38.279 1.00 0.00 WAT +ATOM 8716 H2 TIP3 802 29.708 -37.924 -38.703 1.00 0.00 WAT +ATOM 8717 OH2 TIP3 803 29.195 -37.741 -32.922 1.00 0.00 WAT +ATOM 8718 H1 TIP3 803 30.171 -37.666 -32.938 1.00 0.00 WAT +ATOM 8719 H2 TIP3 803 29.048 -37.754 -31.961 1.00 0.00 WAT +ATOM 8720 OH2 TIP3 804 29.342 -37.062 -30.061 1.00 0.00 WAT +ATOM 8721 H1 TIP3 804 28.501 -36.640 -29.801 1.00 0.00 WAT +ATOM 8722 H2 TIP3 804 29.893 -36.286 -30.281 1.00 0.00 WAT +ATOM 8723 OH2 TIP3 805 13.806 -38.353 -26.262 1.00 0.00 WAT +ATOM 8724 H1 TIP3 805 14.724 -38.588 -26.452 1.00 0.00 WAT +ATOM 8725 H2 TIP3 805 13.360 -39.213 -26.304 1.00 0.00 WAT +ATOM 8726 OH2 TIP3 806 31.417 -42.815 -24.327 1.00 0.00 WAT +ATOM 8727 H1 TIP3 806 32.136 -43.449 -24.474 1.00 0.00 WAT +ATOM 8728 H2 TIP3 806 31.505 -42.167 -25.067 1.00 0.00 WAT +ATOM 8729 OH2 TIP3 807 29.240 -40.972 -38.232 1.00 0.00 WAT +ATOM 8730 H1 TIP3 807 29.485 -41.464 -37.435 1.00 0.00 WAT +ATOM 8731 H2 TIP3 807 28.615 -41.594 -38.651 1.00 0.00 WAT +ATOM 8732 OH2 TIP3 808 14.558 -39.892 -33.618 1.00 0.00 WAT +ATOM 8733 H1 TIP3 808 14.856 -40.822 -33.500 1.00 0.00 WAT +ATOM 8734 H2 TIP3 808 15.299 -39.402 -33.217 1.00 0.00 WAT +ATOM 8735 OH2 TIP3 809 13.173 -37.286 -32.562 1.00 0.00 WAT +ATOM 8736 H1 TIP3 809 13.750 -37.325 -33.339 1.00 0.00 WAT +ATOM 8737 H2 TIP3 809 13.539 -36.530 -32.086 1.00 0.00 WAT +ATOM 8738 OH2 TIP3 810 31.290 -41.108 -26.444 1.00 0.00 WAT +ATOM 8739 H1 TIP3 810 30.438 -40.635 -26.385 1.00 0.00 WAT +ATOM 8740 H2 TIP3 810 31.207 -41.465 -27.346 1.00 0.00 WAT +ATOM 8741 OH2 TIP3 811 31.411 -40.724 -41.764 1.00 0.00 WAT +ATOM 8742 H1 TIP3 811 31.703 -41.464 -42.306 1.00 0.00 WAT +ATOM 8743 H2 TIP3 811 32.220 -40.192 -41.687 1.00 0.00 WAT +ATOM 8744 OH2 TIP3 812 13.716 -40.983 -38.505 1.00 0.00 WAT +ATOM 8745 H1 TIP3 812 12.765 -40.979 -38.708 1.00 0.00 WAT +ATOM 8746 H2 TIP3 812 14.077 -40.322 -39.128 1.00 0.00 WAT +ATOM 8747 OH2 TIP3 813 28.294 -25.703 -36.396 1.00 0.00 WAT +ATOM 8748 H1 TIP3 813 28.769 -25.963 -37.204 1.00 0.00 WAT +ATOM 8749 H2 TIP3 813 29.011 -25.320 -35.876 1.00 0.00 WAT +ATOM 8750 OH2 TIP3 814 13.490 -41.264 -29.997 1.00 0.00 WAT +ATOM 8751 H1 TIP3 814 13.488 -42.203 -29.727 1.00 0.00 WAT +ATOM 8752 H2 TIP3 814 13.252 -41.336 -30.932 1.00 0.00 WAT +ATOM 8753 OH2 TIP3 815 15.703 -28.973 -25.679 1.00 0.00 WAT +ATOM 8754 H1 TIP3 815 14.959 -28.961 -26.299 1.00 0.00 WAT +ATOM 8755 H2 TIP3 815 15.259 -28.998 -24.821 1.00 0.00 WAT +ATOM 8756 OH2 TIP3 816 18.544 -27.998 -30.013 1.00 0.00 WAT +ATOM 8757 H1 TIP3 816 18.219 -27.139 -30.331 1.00 0.00 WAT +ATOM 8758 H2 TIP3 816 19.502 -27.886 -30.177 1.00 0.00 WAT +ATOM 8759 OH2 TIP3 817 23.064 -26.699 -26.991 1.00 0.00 WAT +ATOM 8760 H1 TIP3 817 23.160 -26.847 -26.035 1.00 0.00 WAT +ATOM 8761 H2 TIP3 817 23.893 -26.231 -27.205 1.00 0.00 WAT +ATOM 8762 OH2 TIP3 818 25.374 -25.164 -27.765 1.00 0.00 WAT +ATOM 8763 H1 TIP3 818 26.005 -25.871 -27.963 1.00 0.00 WAT +ATOM 8764 H2 TIP3 818 25.633 -24.924 -26.852 1.00 0.00 WAT +ATOM 8765 OH2 TIP3 819 29.932 -42.770 -28.543 1.00 0.00 WAT +ATOM 8766 H1 TIP3 819 29.426 -42.137 -29.083 1.00 0.00 WAT +ATOM 8767 H2 TIP3 819 30.098 -43.452 -29.213 1.00 0.00 WAT +ATOM 8768 OH2 TIP3 820 15.904 -25.059 -29.685 1.00 0.00 WAT +ATOM 8769 H1 TIP3 820 15.305 -24.425 -30.121 1.00 0.00 WAT +ATOM 8770 H2 TIP3 820 15.664 -24.903 -28.760 1.00 0.00 WAT +ATOM 8771 OH2 TIP3 821 18.414 -25.236 -31.110 1.00 0.00 WAT +ATOM 8772 H1 TIP3 821 17.556 -25.093 -30.660 1.00 0.00 WAT +ATOM 8773 H2 TIP3 821 18.405 -24.538 -31.785 1.00 0.00 WAT +ATOM 8774 OH2 TIP3 822 23.178 -25.261 -31.554 1.00 0.00 WAT +ATOM 8775 H1 TIP3 822 22.781 -24.813 -32.320 1.00 0.00 WAT +ATOM 8776 H2 TIP3 822 23.226 -24.531 -30.907 1.00 0.00 WAT +ATOM 8777 OH2 TIP3 823 25.573 -26.442 -30.647 1.00 0.00 WAT +ATOM 8778 H1 TIP3 823 24.684 -26.199 -30.967 1.00 0.00 WAT +ATOM 8779 H2 TIP3 823 26.026 -25.595 -30.714 1.00 0.00 WAT +ATOM 8780 OH2 TIP3 824 28.054 -24.342 -30.592 1.00 0.00 WAT +ATOM 8781 H1 TIP3 824 27.807 -23.657 -31.233 1.00 0.00 WAT +ATOM 8782 H2 TIP3 824 28.311 -25.045 -31.217 1.00 0.00 WAT +ATOM 8783 OH2 TIP3 825 15.517 -26.215 -32.733 1.00 0.00 WAT +ATOM 8784 H1 TIP3 825 15.459 -26.694 -31.877 1.00 0.00 WAT +ATOM 8785 H2 TIP3 825 16.265 -26.685 -33.149 1.00 0.00 WAT +ATOM 8786 OH2 TIP3 826 17.531 -27.485 -34.306 1.00 0.00 WAT +ATOM 8787 H1 TIP3 826 17.352 -28.405 -34.014 1.00 0.00 WAT +ATOM 8788 H2 TIP3 826 18.428 -27.336 -33.951 1.00 0.00 WAT +ATOM 8789 OH2 TIP3 827 20.285 -27.003 -33.394 1.00 0.00 WAT +ATOM 8790 H1 TIP3 827 20.464 -27.936 -33.611 1.00 0.00 WAT +ATOM 8791 H2 TIP3 827 20.339 -27.039 -32.425 1.00 0.00 WAT +ATOM 8792 OH2 TIP3 828 23.569 -41.124 -34.112 1.00 0.00 WAT +ATOM 8793 H1 TIP3 828 22.945 -41.820 -33.825 1.00 0.00 WAT +ATOM 8794 H2 TIP3 828 24.171 -41.621 -34.686 1.00 0.00 WAT +ATOM 8795 OH2 TIP3 829 28.863 -43.292 -33.638 1.00 0.00 WAT +ATOM 8796 H1 TIP3 829 29.448 -42.885 -34.300 1.00 0.00 WAT +ATOM 8797 H2 TIP3 829 27.983 -43.064 -33.964 1.00 0.00 WAT +ATOM 8798 OH2 TIP3 830 30.808 -42.248 -35.828 1.00 0.00 WAT +ATOM 8799 H1 TIP3 830 31.343 -42.455 -36.600 1.00 0.00 WAT +ATOM 8800 H2 TIP3 830 31.004 -41.301 -35.692 1.00 0.00 WAT +ATOM 8801 OH2 TIP3 831 15.942 -42.835 -36.818 1.00 0.00 WAT +ATOM 8802 H1 TIP3 831 15.005 -43.003 -36.973 1.00 0.00 WAT +ATOM 8803 H2 TIP3 831 16.236 -43.656 -36.412 1.00 0.00 WAT +ATOM 8804 OH2 TIP3 832 14.555 -42.822 -40.678 1.00 0.00 WAT +ATOM 8805 H1 TIP3 832 15.045 -42.283 -41.331 1.00 0.00 WAT +ATOM 8806 H2 TIP3 832 14.160 -42.136 -40.117 1.00 0.00 WAT +ATOM 8807 OH2 TIP3 833 20.427 -42.314 -36.583 1.00 0.00 WAT +ATOM 8808 H1 TIP3 833 21.389 -42.335 -36.686 1.00 0.00 WAT +ATOM 8809 H2 TIP3 833 20.275 -42.901 -35.835 1.00 0.00 WAT +ATOM 8810 OH2 TIP3 834 25.984 -42.648 -35.154 1.00 0.00 WAT +ATOM 8811 H1 TIP3 834 26.302 -42.629 -36.065 1.00 0.00 WAT +ATOM 8812 H2 TIP3 834 25.835 -43.590 -34.989 1.00 0.00 WAT +ATOM 8813 OH2 TIP3 835 27.054 -42.709 -39.172 1.00 0.00 WAT +ATOM 8814 H1 TIP3 835 26.305 -42.139 -39.433 1.00 0.00 WAT +ATOM 8815 H2 TIP3 835 26.670 -43.595 -39.186 1.00 0.00 WAT +ATOM 8816 OH2 TIP3 836 14.831 -26.954 -39.663 1.00 0.00 WAT +ATOM 8817 H1 TIP3 836 14.111 -26.979 -40.317 1.00 0.00 WAT +ATOM 8818 H2 TIP3 836 14.815 -26.023 -39.419 1.00 0.00 WAT +ATOM 8819 OH2 TIP3 837 16.422 -41.208 -42.257 1.00 0.00 WAT +ATOM 8820 H1 TIP3 837 17.050 -41.643 -42.846 1.00 0.00 WAT +ATOM 8821 H2 TIP3 837 17.018 -40.616 -41.764 1.00 0.00 WAT +ATOM 8822 OH2 TIP3 838 21.657 -40.568 -39.859 1.00 0.00 WAT +ATOM 8823 H1 TIP3 838 21.756 -41.421 -39.390 1.00 0.00 WAT +ATOM 8824 H2 TIP3 838 21.847 -39.908 -39.165 1.00 0.00 WAT +ATOM 8825 OH2 TIP3 839 23.495 -25.294 -41.466 1.00 0.00 WAT +ATOM 8826 H1 TIP3 839 24.468 -25.174 -41.391 1.00 0.00 WAT +ATOM 8827 H2 TIP3 839 23.466 -25.914 -42.219 1.00 0.00 WAT +ATOM 8828 OH2 TIP3 840 30.220 -26.155 -38.797 1.00 0.00 WAT +ATOM 8829 H1 TIP3 840 29.937 -26.968 -39.258 1.00 0.00 WAT +ATOM 8830 H2 TIP3 840 29.996 -25.457 -39.455 1.00 0.00 WAT +ATOM 8831 OH2 TIP3 841 15.557 -41.777 -27.310 1.00 0.00 WAT +ATOM 8832 H1 TIP3 841 15.090 -42.568 -27.008 1.00 0.00 WAT +ATOM 8833 H2 TIP3 841 16.438 -42.160 -27.433 1.00 0.00 WAT +ATOM 8834 OH2 TIP3 842 18.488 -42.789 -24.679 1.00 0.00 WAT +ATOM 8835 H1 TIP3 842 19.355 -43.059 -25.055 1.00 0.00 WAT +ATOM 8836 H2 TIP3 842 18.245 -43.570 -24.171 1.00 0.00 WAT +ATOM 8837 OH2 TIP3 843 16.847 -25.870 -42.320 1.00 0.00 WAT +ATOM 8838 H1 TIP3 843 16.393 -25.646 -41.498 1.00 0.00 WAT +ATOM 8839 H2 TIP3 843 17.449 -26.574 -42.062 1.00 0.00 WAT +ATOM 8840 OH2 TIP3 844 29.626 -27.348 -26.434 1.00 0.00 WAT +ATOM 8841 H1 TIP3 844 28.886 -27.565 -27.029 1.00 0.00 WAT +ATOM 8842 H2 TIP3 844 29.392 -26.444 -26.169 1.00 0.00 WAT +ATOM 8843 OH2 TIP3 845 42.146 -34.628 -33.119 1.00 0.00 WAT +ATOM 8844 H1 TIP3 845 42.919 -34.297 -32.623 1.00 0.00 WAT +ATOM 8845 H2 TIP3 845 42.461 -34.593 -34.028 1.00 0.00 WAT +ATOM 8846 OH2 TIP3 846 35.155 -34.659 -31.527 1.00 0.00 WAT +ATOM 8847 H1 TIP3 846 35.155 -35.384 -30.876 1.00 0.00 WAT +ATOM 8848 H2 TIP3 846 35.859 -34.090 -31.184 1.00 0.00 WAT +ATOM 8849 OH2 TIP3 847 35.768 -29.988 -32.856 1.00 0.00 WAT +ATOM 8850 H1 TIP3 847 35.540 -30.818 -33.314 1.00 0.00 WAT +ATOM 8851 H2 TIP3 847 36.733 -30.014 -32.904 1.00 0.00 WAT +ATOM 8852 OH2 TIP3 848 32.817 -36.640 -37.645 1.00 0.00 WAT +ATOM 8853 H1 TIP3 848 32.467 -35.748 -37.480 1.00 0.00 WAT +ATOM 8854 H2 TIP3 848 32.060 -37.069 -38.064 1.00 0.00 WAT +ATOM 8855 OH2 TIP3 849 33.579 -34.179 -35.833 1.00 0.00 WAT +ATOM 8856 H1 TIP3 849 33.779 -34.961 -35.284 1.00 0.00 WAT +ATOM 8857 H2 TIP3 849 34.446 -33.961 -36.201 1.00 0.00 WAT +ATOM 8858 OH2 TIP3 850 41.200 -31.720 -32.527 1.00 0.00 WAT +ATOM 8859 H1 TIP3 850 41.463 -32.449 -33.109 1.00 0.00 WAT +ATOM 8860 H2 TIP3 850 42.037 -31.502 -32.099 1.00 0.00 WAT +ATOM 8861 OH2 TIP3 851 37.424 -39.419 -35.031 1.00 0.00 WAT +ATOM 8862 H1 TIP3 851 37.592 -38.555 -35.460 1.00 0.00 WAT +ATOM 8863 H2 TIP3 851 37.063 -39.915 -35.789 1.00 0.00 WAT +ATOM 8864 OH2 TIP3 852 34.115 -36.640 -34.537 1.00 0.00 WAT +ATOM 8865 H1 TIP3 852 34.735 -37.112 -33.960 1.00 0.00 WAT +ATOM 8866 H2 TIP3 852 34.208 -37.130 -35.372 1.00 0.00 WAT +ATOM 8867 OH2 TIP3 853 39.525 -35.284 -35.073 1.00 0.00 WAT +ATOM 8868 H1 TIP3 853 40.271 -35.808 -34.718 1.00 0.00 WAT +ATOM 8869 H2 TIP3 853 39.021 -35.978 -35.533 1.00 0.00 WAT +ATOM 8870 OH2 TIP3 854 36.208 -40.576 -30.876 1.00 0.00 WAT +ATOM 8871 H1 TIP3 854 35.897 -39.995 -31.590 1.00 0.00 WAT +ATOM 8872 H2 TIP3 854 35.549 -40.362 -30.184 1.00 0.00 WAT +ATOM 8873 OH2 TIP3 855 39.151 -32.752 -30.743 1.00 0.00 WAT +ATOM 8874 H1 TIP3 855 38.422 -32.145 -30.493 1.00 0.00 WAT +ATOM 8875 H2 TIP3 855 39.796 -32.139 -31.138 1.00 0.00 WAT +ATOM 8876 OH2 TIP3 856 35.841 -38.573 -32.927 1.00 0.00 WAT +ATOM 8877 H1 TIP3 856 36.457 -37.947 -32.489 1.00 0.00 WAT +ATOM 8878 H2 TIP3 856 36.414 -38.898 -33.656 1.00 0.00 WAT +ATOM 8879 OH2 TIP3 857 37.157 -30.844 -30.000 1.00 0.00 WAT +ATOM 8880 H1 TIP3 857 37.111 -29.972 -30.432 1.00 0.00 WAT +ATOM 8881 H2 TIP3 857 36.271 -30.869 -29.595 1.00 0.00 WAT +ATOM 8882 OH2 TIP3 858 33.411 -31.007 -39.166 1.00 0.00 WAT +ATOM 8883 H1 TIP3 858 33.272 -30.500 -39.984 1.00 0.00 WAT +ATOM 8884 H2 TIP3 858 33.721 -30.323 -38.534 1.00 0.00 WAT +ATOM 8885 OH2 TIP3 859 40.466 43.797 -33.629 1.00 0.00 WAT +ATOM 8886 H1 TIP3 859 40.403 42.850 -33.475 1.00 0.00 WAT +ATOM 8887 H2 TIP3 859 39.614 44.163 -33.318 1.00 0.00 WAT +ATOM 8888 OH2 TIP3 860 42.679 -34.305 -39.193 1.00 0.00 WAT +ATOM 8889 H1 TIP3 860 41.988 -33.614 -39.232 1.00 0.00 WAT +ATOM 8890 H2 TIP3 860 43.344 -33.923 -39.766 1.00 0.00 WAT +ATOM 8891 OH2 TIP3 861 42.869 -35.747 -42.128 1.00 0.00 WAT +ATOM 8892 H1 TIP3 861 43.530 -35.698 -41.418 1.00 0.00 WAT +ATOM 8893 H2 TIP3 861 42.998 -36.633 -42.467 1.00 0.00 WAT +ATOM 8894 OH2 TIP3 862 37.586 -33.407 -36.128 1.00 0.00 WAT +ATOM 8895 H1 TIP3 862 37.290 -33.813 -36.962 1.00 0.00 WAT +ATOM 8896 H2 TIP3 862 38.248 -34.046 -35.808 1.00 0.00 WAT +ATOM 8897 OH2 TIP3 863 38.977 -29.986 -33.393 1.00 0.00 WAT +ATOM 8898 H1 TIP3 863 38.855 -30.343 -34.284 1.00 0.00 WAT +ATOM 8899 H2 TIP3 863 39.769 -30.463 -33.083 1.00 0.00 WAT +ATOM 8900 OH2 TIP3 864 38.171 -34.592 -32.661 1.00 0.00 WAT +ATOM 8901 H1 TIP3 864 38.758 -34.570 -33.442 1.00 0.00 WAT +ATOM 8902 H2 TIP3 864 38.561 -33.904 -32.087 1.00 0.00 WAT +ATOM 8903 OH2 TIP3 865 39.028 -30.235 -27.842 1.00 0.00 WAT +ATOM 8904 H1 TIP3 865 38.520 -29.560 -27.360 1.00 0.00 WAT +ATOM 8905 H2 TIP3 865 38.395 -30.481 -28.545 1.00 0.00 WAT +ATOM 8906 OH2 TIP3 866 35.952 -33.894 -28.682 1.00 0.00 WAT +ATOM 8907 H1 TIP3 866 36.006 -33.270 -27.934 1.00 0.00 WAT +ATOM 8908 H2 TIP3 866 34.990 -33.969 -28.799 1.00 0.00 WAT +ATOM 8909 OH2 TIP3 867 42.570 -28.130 -37.014 1.00 0.00 WAT +ATOM 8910 H1 TIP3 867 42.997 -27.645 -36.288 1.00 0.00 WAT +ATOM 8911 H2 TIP3 867 42.012 -27.444 -37.406 1.00 0.00 WAT +ATOM 8912 OH2 TIP3 868 37.103 -28.040 -27.010 1.00 0.00 WAT +ATOM 8913 H1 TIP3 868 37.007 -28.020 -27.980 1.00 0.00 WAT +ATOM 8914 H2 TIP3 868 36.226 -28.345 -26.707 1.00 0.00 WAT +ATOM 8915 OH2 TIP3 869 36.540 -34.661 -38.669 1.00 0.00 WAT +ATOM 8916 H1 TIP3 869 36.283 -33.857 -39.156 1.00 0.00 WAT +ATOM 8917 H2 TIP3 869 35.801 -35.250 -38.862 1.00 0.00 WAT +ATOM 8918 OH2 TIP3 870 32.542 -31.961 -29.881 1.00 0.00 WAT +ATOM 8919 H1 TIP3 870 32.140 -31.935 -30.772 1.00 0.00 WAT +ATOM 8920 H2 TIP3 870 32.684 -32.916 -29.748 1.00 0.00 WAT +ATOM 8921 OH2 TIP3 871 32.591 -29.191 -32.814 1.00 0.00 WAT +ATOM 8922 H1 TIP3 871 33.526 -29.348 -33.024 1.00 0.00 WAT +ATOM 8923 H2 TIP3 871 32.651 -28.428 -32.228 1.00 0.00 WAT +ATOM 8924 OH2 TIP3 872 41.735 -29.218 -28.327 1.00 0.00 WAT +ATOM 8925 H1 TIP3 872 41.805 -28.327 -27.956 1.00 0.00 WAT +ATOM 8926 H2 TIP3 872 40.817 -29.476 -28.124 1.00 0.00 WAT +ATOM 8927 OH2 TIP3 873 41.889 -25.402 -38.452 1.00 0.00 WAT +ATOM 8928 H1 TIP3 873 42.037 -25.346 -39.406 1.00 0.00 WAT +ATOM 8929 H2 TIP3 873 42.069 -24.509 -38.132 1.00 0.00 WAT +ATOM 8930 OH2 TIP3 874 34.720 -30.390 -28.614 1.00 0.00 WAT +ATOM 8931 H1 TIP3 874 35.020 -30.903 -27.838 1.00 0.00 WAT +ATOM 8932 H2 TIP3 874 34.015 -30.944 -28.995 1.00 0.00 WAT +ATOM 8933 OH2 TIP3 875 37.982 -42.195 -32.736 1.00 0.00 WAT +ATOM 8934 H1 TIP3 875 37.160 -42.450 -33.183 1.00 0.00 WAT +ATOM 8935 H2 TIP3 875 37.724 -41.348 -32.338 1.00 0.00 WAT +ATOM 8936 OH2 TIP3 876 42.266 -43.086 -29.132 1.00 0.00 WAT +ATOM 8937 H1 TIP3 876 42.575 -43.141 -28.224 1.00 0.00 WAT +ATOM 8938 H2 TIP3 876 41.332 -42.834 -29.025 1.00 0.00 WAT +ATOM 8939 OH2 TIP3 877 42.210 -39.838 -42.046 1.00 0.00 WAT +ATOM 8940 H1 TIP3 877 41.561 -39.938 -41.331 1.00 0.00 WAT +ATOM 8941 H2 TIP3 877 41.906 -40.515 -42.662 1.00 0.00 WAT +ATOM 8942 OH2 TIP3 878 37.779 -37.149 -31.476 1.00 0.00 WAT +ATOM 8943 H1 TIP3 878 37.173 -37.013 -30.730 1.00 0.00 WAT +ATOM 8944 H2 TIP3 878 37.881 -36.241 -31.838 1.00 0.00 WAT +ATOM 8945 OH2 TIP3 879 37.746 -37.114 -36.580 1.00 0.00 WAT +ATOM 8946 H1 TIP3 879 36.788 -37.172 -36.746 1.00 0.00 WAT +ATOM 8947 H2 TIP3 879 38.093 -37.242 -37.484 1.00 0.00 WAT +ATOM 8948 OH2 TIP3 880 42.790 -36.731 -37.071 1.00 0.00 WAT +ATOM 8949 H1 TIP3 880 42.779 -35.777 -37.241 1.00 0.00 WAT +ATOM 8950 H2 TIP3 880 43.733 -36.940 -37.011 1.00 0.00 WAT +ATOM 8951 OH2 TIP3 881 42.499 -36.263 -26.283 1.00 0.00 WAT +ATOM 8952 H1 TIP3 881 41.934 -37.058 -26.166 1.00 0.00 WAT +ATOM 8953 H2 TIP3 881 43.373 -36.701 -26.253 1.00 0.00 WAT +ATOM 8954 OH2 TIP3 882 35.199 -36.979 -29.652 1.00 0.00 WAT +ATOM 8955 H1 TIP3 882 35.420 -36.667 -28.767 1.00 0.00 WAT +ATOM 8956 H2 TIP3 882 34.788 -37.843 -29.455 1.00 0.00 WAT +ATOM 8957 OH2 TIP3 883 38.894 -39.623 -43.180 1.00 0.00 WAT +ATOM 8958 H1 TIP3 883 38.611 -39.860 -42.281 1.00 0.00 WAT +ATOM 8959 H2 TIP3 883 38.156 -39.054 -43.464 1.00 0.00 WAT +ATOM 8960 OH2 TIP3 884 31.953 -39.589 -36.011 1.00 0.00 WAT +ATOM 8961 H1 TIP3 884 32.528 -39.552 -35.222 1.00 0.00 WAT +ATOM 8962 H2 TIP3 884 32.536 -39.931 -36.698 1.00 0.00 WAT +ATOM 8963 OH2 TIP3 885 33.524 -39.118 -40.390 1.00 0.00 WAT +ATOM 8964 H1 TIP3 885 34.117 -38.621 -40.988 1.00 0.00 WAT +ATOM 8965 H2 TIP3 885 32.880 -38.426 -40.153 1.00 0.00 WAT +ATOM 8966 OH2 TIP3 886 43.514 -35.726 -30.230 1.00 0.00 WAT +ATOM 8967 H1 TIP3 886 43.799 -36.391 -30.890 1.00 0.00 WAT +ATOM 8968 H2 TIP3 886 42.720 -36.148 -29.882 1.00 0.00 WAT +ATOM 8969 OH2 TIP3 887 40.479 -39.742 -35.602 1.00 0.00 WAT +ATOM 8970 H1 TIP3 887 39.561 -39.600 -35.326 1.00 0.00 WAT +ATOM 8971 H2 TIP3 887 40.949 -39.504 -34.784 1.00 0.00 WAT +ATOM 8972 OH2 TIP3 888 35.078 -38.290 -36.886 1.00 0.00 WAT +ATOM 8973 H1 TIP3 888 34.274 -37.985 -37.344 1.00 0.00 WAT +ATOM 8974 H2 TIP3 888 35.348 -39.084 -37.385 1.00 0.00 WAT +ATOM 8975 OH2 TIP3 889 38.673 -37.890 -39.236 1.00 0.00 WAT +ATOM 8976 H1 TIP3 889 39.640 -37.814 -39.179 1.00 0.00 WAT +ATOM 8977 H2 TIP3 889 38.437 -37.288 -39.965 1.00 0.00 WAT +ATOM 8978 OH2 TIP3 890 37.306 -36.774 -41.577 1.00 0.00 WAT +ATOM 8979 H1 TIP3 890 36.667 -37.219 -42.154 1.00 0.00 WAT +ATOM 8980 H2 TIP3 890 38.032 -36.555 -42.180 1.00 0.00 WAT +ATOM 8981 OH2 TIP3 891 35.818 -31.961 -26.471 1.00 0.00 WAT +ATOM 8982 H1 TIP3 891 36.501 -31.866 -25.774 1.00 0.00 WAT +ATOM 8983 H2 TIP3 891 35.017 -31.955 -25.913 1.00 0.00 WAT +ATOM 8984 OH2 TIP3 892 41.371 -37.409 -34.152 1.00 0.00 WAT +ATOM 8985 H1 TIP3 892 42.180 -37.643 -34.624 1.00 0.00 WAT +ATOM 8986 H2 TIP3 892 41.664 -37.442 -33.226 1.00 0.00 WAT +ATOM 8987 OH2 TIP3 893 36.684 -40.661 -37.555 1.00 0.00 WAT +ATOM 8988 H1 TIP3 893 36.222 -41.511 -37.441 1.00 0.00 WAT +ATOM 8989 H2 TIP3 893 37.535 -40.936 -37.922 1.00 0.00 WAT +ATOM 8990 OH2 TIP3 894 40.468 -38.608 -31.413 1.00 0.00 WAT +ATOM 8991 H1 TIP3 894 39.797 -37.935 -31.621 1.00 0.00 WAT +ATOM 8992 H2 TIP3 894 41.000 -38.153 -30.741 1.00 0.00 WAT +ATOM 8993 OH2 TIP3 895 40.724 -32.281 -39.542 1.00 0.00 WAT +ATOM 8994 H1 TIP3 895 39.916 -32.689 -39.906 1.00 0.00 WAT +ATOM 8995 H2 TIP3 895 40.486 -32.130 -38.596 1.00 0.00 WAT +ATOM 8996 OH2 TIP3 896 42.081 -32.239 -28.317 1.00 0.00 WAT +ATOM 8997 H1 TIP3 896 41.825 -32.325 -27.396 1.00 0.00 WAT +ATOM 8998 H2 TIP3 896 42.129 -31.278 -28.446 1.00 0.00 WAT +ATOM 8999 OH2 TIP3 897 35.750 -32.726 -33.783 1.00 0.00 WAT +ATOM 9000 H1 TIP3 897 36.319 -32.755 -34.569 1.00 0.00 WAT +ATOM 9001 H2 TIP3 897 35.932 -33.579 -33.363 1.00 0.00 WAT +ATOM 9002 OH2 TIP3 898 42.841 -30.813 -40.520 1.00 0.00 WAT +ATOM 9003 H1 TIP3 898 42.540 -29.905 -40.316 1.00 0.00 WAT +ATOM 9004 H2 TIP3 898 42.073 -31.334 -40.207 1.00 0.00 WAT +ATOM 9005 OH2 TIP3 899 33.036 -34.437 -28.515 1.00 0.00 WAT +ATOM 9006 H1 TIP3 899 33.200 -34.888 -27.663 1.00 0.00 WAT +ATOM 9007 H2 TIP3 899 32.442 -35.051 -28.977 1.00 0.00 WAT +ATOM 9008 OH2 TIP3 900 40.014 -34.941 -26.490 1.00 0.00 WAT +ATOM 9009 H1 TIP3 900 39.660 -35.228 -27.350 1.00 0.00 WAT +ATOM 9010 H2 TIP3 900 40.957 -35.171 -26.588 1.00 0.00 WAT +ATOM 9011 OH2 TIP3 901 38.202 -29.437 -36.501 1.00 0.00 WAT +ATOM 9012 H1 TIP3 901 38.475 -28.530 -36.700 1.00 0.00 WAT +ATOM 9013 H2 TIP3 901 37.229 -29.373 -36.636 1.00 0.00 WAT +ATOM 9014 OH2 TIP3 902 34.231 -34.499 -41.991 1.00 0.00 WAT +ATOM 9015 H1 TIP3 902 34.786 -33.844 -41.523 1.00 0.00 WAT +ATOM 9016 H2 TIP3 902 33.341 -34.286 -41.652 1.00 0.00 WAT +ATOM 9017 OH2 TIP3 903 39.949 -31.753 -36.943 1.00 0.00 WAT +ATOM 9018 H1 TIP3 903 39.697 -30.831 -36.759 1.00 0.00 WAT +ATOM 9019 H2 TIP3 903 39.242 -32.228 -36.481 1.00 0.00 WAT +ATOM 9020 OH2 TIP3 904 40.200 -27.438 -30.493 1.00 0.00 WAT +ATOM 9021 H1 TIP3 904 40.769 -26.726 -30.856 1.00 0.00 WAT +ATOM 9022 H2 TIP3 904 40.853 -27.954 -30.000 1.00 0.00 WAT +ATOM 9023 OH2 TIP3 905 38.312 -26.444 -37.405 1.00 0.00 WAT +ATOM 9024 H1 TIP3 905 37.395 -26.483 -37.106 1.00 0.00 WAT +ATOM 9025 H2 TIP3 905 38.621 -25.583 -37.068 1.00 0.00 WAT +ATOM 9026 OH2 TIP3 906 34.371 -39.617 -28.923 1.00 0.00 WAT +ATOM 9027 H1 TIP3 906 33.462 -39.423 -29.242 1.00 0.00 WAT +ATOM 9028 H2 TIP3 906 34.203 -40.481 -28.490 1.00 0.00 WAT +ATOM 9029 OH2 TIP3 907 34.072 -27.967 -30.460 1.00 0.00 WAT +ATOM 9030 H1 TIP3 907 34.374 -28.888 -30.449 1.00 0.00 WAT +ATOM 9031 H2 TIP3 907 34.424 -27.656 -29.618 1.00 0.00 WAT +ATOM 9032 OH2 TIP3 908 40.156 -29.412 -43.319 1.00 0.00 WAT +ATOM 9033 H1 TIP3 908 40.740 -30.170 -43.487 1.00 0.00 WAT +ATOM 9034 H2 TIP3 908 39.716 -29.685 -42.486 1.00 0.00 WAT +ATOM 9035 OH2 TIP3 909 38.863 -29.900 -40.782 1.00 0.00 WAT +ATOM 9036 H1 TIP3 909 39.253 -30.386 -40.042 1.00 0.00 WAT +ATOM 9037 H2 TIP3 909 38.959 -28.974 -40.481 1.00 0.00 WAT +ATOM 9038 OH2 TIP3 910 35.583 -32.452 -40.352 1.00 0.00 WAT +ATOM 9039 H1 TIP3 910 34.850 -32.037 -39.851 1.00 0.00 WAT +ATOM 9040 H2 TIP3 910 36.082 -31.659 -40.604 1.00 0.00 WAT +ATOM 9041 OH2 TIP3 911 43.290 -39.289 -29.773 1.00 0.00 WAT +ATOM 9042 H1 TIP3 911 43.917 -40.029 -29.879 1.00 0.00 WAT +ATOM 9043 H2 TIP3 911 42.696 -39.556 -30.492 1.00 0.00 WAT +ATOM 9044 OH2 TIP3 912 41.691 -28.216 -40.250 1.00 0.00 WAT +ATOM 9045 H1 TIP3 912 40.880 -27.735 -40.013 1.00 0.00 WAT +ATOM 9046 H2 TIP3 912 42.097 -27.606 -40.876 1.00 0.00 WAT +ATOM 9047 OH2 TIP3 913 41.318 -38.674 -38.147 1.00 0.00 WAT +ATOM 9048 H1 TIP3 913 41.957 -37.973 -37.876 1.00 0.00 WAT +ATOM 9049 H2 TIP3 913 40.974 -38.879 -37.256 1.00 0.00 WAT +ATOM 9050 OH2 TIP3 914 41.467 -37.634 -28.794 1.00 0.00 WAT +ATOM 9051 H1 TIP3 914 41.835 -37.015 -28.152 1.00 0.00 WAT +ATOM 9052 H2 TIP3 914 42.206 -38.260 -28.946 1.00 0.00 WAT +ATOM 9053 OH2 TIP3 915 41.978 -41.705 -36.894 1.00 0.00 WAT +ATOM 9054 H1 TIP3 915 41.710 -40.848 -36.496 1.00 0.00 WAT +ATOM 9055 H2 TIP3 915 42.705 -41.453 -37.491 1.00 0.00 WAT +ATOM 9056 OH2 TIP3 916 38.961 -27.099 -40.216 1.00 0.00 WAT +ATOM 9057 H1 TIP3 916 38.982 -26.234 -40.672 1.00 0.00 WAT +ATOM 9058 H2 TIP3 916 38.693 -26.840 -39.311 1.00 0.00 WAT +ATOM 9059 OH2 TIP3 917 37.669 -40.441 -40.727 1.00 0.00 WAT +ATOM 9060 H1 TIP3 917 37.620 -39.650 -40.165 1.00 0.00 WAT +ATOM 9061 H2 TIP3 917 38.528 -40.808 -40.454 1.00 0.00 WAT +ATOM 9062 OH2 TIP3 918 36.043 -29.497 -41.614 1.00 0.00 WAT +ATOM 9063 H1 TIP3 918 36.782 -29.163 -41.083 1.00 0.00 WAT +ATOM 9064 H2 TIP3 918 36.504 -30.035 -42.271 1.00 0.00 WAT +ATOM 9065 OH2 TIP3 919 34.311 -37.338 -42.555 1.00 0.00 WAT +ATOM 9066 H1 TIP3 919 34.448 -36.383 -42.392 1.00 0.00 WAT +ATOM 9067 H2 TIP3 919 33.396 -37.348 -42.881 1.00 0.00 WAT +ATOM 9068 OH2 TIP3 920 34.352 -42.443 -33.552 1.00 0.00 WAT +ATOM 9069 H1 TIP3 920 34.784 -42.455 -34.416 1.00 0.00 WAT +ATOM 9070 H2 TIP3 920 34.553 -43.341 -33.254 1.00 0.00 WAT +ATOM 9071 OH2 TIP3 921 33.425 -25.951 -26.252 1.00 0.00 WAT +ATOM 9072 H1 TIP3 921 34.026 -26.248 -25.541 1.00 0.00 WAT +ATOM 9073 H2 TIP3 921 33.054 -26.808 -26.549 1.00 0.00 WAT +ATOM 9074 OH2 TIP3 922 38.127 -26.914 -24.509 1.00 0.00 WAT +ATOM 9075 H1 TIP3 922 38.812 -27.564 -24.288 1.00 0.00 WAT +ATOM 9076 H2 TIP3 922 37.898 -27.187 -25.414 1.00 0.00 WAT +ATOM 9077 OH2 TIP3 923 42.316 -27.571 -43.178 1.00 0.00 WAT +ATOM 9078 H1 TIP3 923 41.516 -28.127 -43.246 1.00 0.00 WAT +ATOM 9079 H2 TIP3 923 42.974 -28.154 -43.581 1.00 0.00 WAT +ATOM 9080 OH2 TIP3 924 33.407 -32.360 -25.164 1.00 0.00 WAT +ATOM 9081 H1 TIP3 924 33.500 -33.255 -25.526 1.00 0.00 WAT +ATOM 9082 H2 TIP3 924 32.642 -32.037 -25.678 1.00 0.00 WAT +ATOM 9083 OH2 TIP3 925 37.644 -32.006 -43.174 1.00 0.00 WAT +ATOM 9084 H1 TIP3 925 37.916 -32.421 -42.341 1.00 0.00 WAT +ATOM 9085 H2 TIP3 925 38.477 -31.897 -43.659 1.00 0.00 WAT +ATOM 9086 OH2 TIP3 926 40.081 -32.143 -25.844 1.00 0.00 WAT +ATOM 9087 H1 TIP3 926 39.779 -31.807 -26.707 1.00 0.00 WAT +ATOM 9088 H2 TIP3 926 40.143 -33.109 -25.993 1.00 0.00 WAT +ATOM 9089 OH2 TIP3 927 42.719 -30.811 -43.520 1.00 0.00 WAT +ATOM 9090 H1 TIP3 927 43.220 -30.444 -42.760 1.00 0.00 WAT +ATOM 9091 H2 TIP3 927 43.330 -31.490 -43.832 1.00 0.00 WAT +ATOM 9092 OH2 TIP3 928 34.266 -35.248 -25.994 1.00 0.00 WAT +ATOM 9093 H1 TIP3 928 35.029 -35.849 -25.976 1.00 0.00 WAT +ATOM 9094 H2 TIP3 928 34.222 -34.985 -25.061 1.00 0.00 WAT +ATOM 9095 OH2 TIP3 929 38.653 -33.835 -40.945 1.00 0.00 WAT +ATOM 9096 H1 TIP3 929 38.060 -34.270 -40.311 1.00 0.00 WAT +ATOM 9097 H2 TIP3 929 39.009 -34.597 -41.432 1.00 0.00 WAT +ATOM 9098 OH2 TIP3 930 37.962 -36.044 -28.522 1.00 0.00 WAT +ATOM 9099 H1 TIP3 930 37.384 -35.271 -28.375 1.00 0.00 WAT +ATOM 9100 H2 TIP3 930 38.523 -35.732 -29.249 1.00 0.00 WAT +ATOM 9101 OH2 TIP3 931 39.985 -35.915 -42.687 1.00 0.00 WAT +ATOM 9102 H1 TIP3 931 39.810 -35.817 -43.633 1.00 0.00 WAT +ATOM 9103 H2 TIP3 931 40.902 -35.610 -42.588 1.00 0.00 WAT +ATOM 9104 OH2 TIP3 932 42.828 -33.592 -24.841 1.00 0.00 WAT +ATOM 9105 H1 TIP3 932 43.525 -33.886 -25.435 1.00 0.00 WAT +ATOM 9106 H2 TIP3 932 42.668 -34.408 -24.337 1.00 0.00 WAT +ATOM 9107 OH2 TIP3 933 38.517 -38.788 -27.424 1.00 0.00 WAT +ATOM 9108 H1 TIP3 933 38.640 -39.416 -28.153 1.00 0.00 WAT +ATOM 9109 H2 TIP3 933 38.395 -37.953 -27.910 1.00 0.00 WAT +ATOM 9110 OH2 TIP3 934 38.903 -40.413 -30.031 1.00 0.00 WAT +ATOM 9111 H1 TIP3 934 39.430 -39.807 -30.604 1.00 0.00 WAT +ATOM 9112 H2 TIP3 934 37.996 -40.263 -30.361 1.00 0.00 WAT +ATOM 9113 OH2 TIP3 935 40.679 -34.931 -29.672 1.00 0.00 WAT +ATOM 9114 H1 TIP3 935 41.359 -34.907 -30.356 1.00 0.00 WAT +ATOM 9115 H2 TIP3 935 40.284 -34.049 -29.784 1.00 0.00 WAT +ATOM 9116 OH2 TIP3 936 36.748 -36.985 -25.581 1.00 0.00 WAT +ATOM 9117 H1 TIP3 936 36.225 -37.803 -25.633 1.00 0.00 WAT +ATOM 9118 H2 TIP3 936 37.540 -37.231 -26.086 1.00 0.00 WAT +ATOM 9119 OH2 TIP3 937 39.478 -42.796 -28.864 1.00 0.00 WAT +ATOM 9120 H1 TIP3 937 39.427 -41.870 -29.203 1.00 0.00 WAT +ATOM 9121 H2 TIP3 937 38.637 -43.136 -29.198 1.00 0.00 WAT +ATOM 9122 OH2 TIP3 938 41.058 -38.565 -25.878 1.00 0.00 WAT +ATOM 9123 H1 TIP3 938 40.696 -38.869 -25.032 1.00 0.00 WAT +ATOM 9124 H2 TIP3 938 40.303 -38.745 -26.468 1.00 0.00 WAT +ATOM 9125 OH2 TIP3 939 35.523 -39.594 -25.751 1.00 0.00 WAT +ATOM 9126 H1 TIP3 939 35.258 -40.195 -26.468 1.00 0.00 WAT +ATOM 9127 H2 TIP3 939 35.064 -39.972 -24.987 1.00 0.00 WAT +ATOM 9128 OH2 TIP3 940 40.536 -41.466 -24.706 1.00 0.00 WAT +ATOM 9129 H1 TIP3 940 40.271 -42.283 -25.167 1.00 0.00 WAT +ATOM 9130 H2 TIP3 940 39.711 -40.953 -24.680 1.00 0.00 WAT +ATOM 9131 OH2 TIP3 941 39.598 -24.617 -41.721 1.00 0.00 WAT +ATOM 9132 H1 TIP3 941 40.545 -24.454 -41.628 1.00 0.00 WAT +ATOM 9133 H2 TIP3 941 39.327 -23.991 -42.410 1.00 0.00 WAT +ATOM 9134 OH2 TIP3 942 33.323 -30.529 -42.010 1.00 0.00 WAT +ATOM 9135 H1 TIP3 942 34.210 -30.130 -41.933 1.00 0.00 WAT +ATOM 9136 H2 TIP3 942 33.399 -31.056 -42.814 1.00 0.00 WAT +ATOM 9137 OH2 TIP3 943 32.359 -24.978 -37.201 1.00 0.00 WAT +ATOM 9138 H1 TIP3 943 31.653 -25.350 -37.764 1.00 0.00 WAT +ATOM 9139 H2 TIP3 943 32.424 -25.674 -36.511 1.00 0.00 WAT +ATOM 9140 OH2 TIP3 944 32.394 -26.763 -35.051 1.00 0.00 WAT +ATOM 9141 H1 TIP3 944 32.545 -27.696 -35.275 1.00 0.00 WAT +ATOM 9142 H2 TIP3 944 33.025 -26.648 -34.328 1.00 0.00 WAT +ATOM 9143 OH2 TIP3 945 32.795 -33.677 -32.795 1.00 0.00 WAT +ATOM 9144 H1 TIP3 945 33.040 -33.549 -33.726 1.00 0.00 WAT +ATOM 9145 H2 TIP3 945 33.678 -33.849 -32.407 1.00 0.00 WAT +ATOM 9146 OH2 TIP3 946 32.666 -38.363 -26.245 1.00 0.00 WAT +ATOM 9147 H1 TIP3 946 33.583 -38.580 -26.464 1.00 0.00 WAT +ATOM 9148 H2 TIP3 946 32.228 -39.225 -26.318 1.00 0.00 WAT +ATOM 9149 OH2 TIP3 947 33.415 -39.908 -33.606 1.00 0.00 WAT +ATOM 9150 H1 TIP3 947 33.729 -40.833 -33.497 1.00 0.00 WAT +ATOM 9151 H2 TIP3 947 34.162 -39.406 -33.229 1.00 0.00 WAT +ATOM 9152 OH2 TIP3 948 32.025 -37.282 -32.571 1.00 0.00 WAT +ATOM 9153 H1 TIP3 948 32.618 -37.307 -33.338 1.00 0.00 WAT +ATOM 9154 H2 TIP3 948 32.386 -36.528 -32.086 1.00 0.00 WAT +ATOM 9155 OH2 TIP3 949 32.575 -41.026 -38.543 1.00 0.00 WAT +ATOM 9156 H1 TIP3 949 31.619 -40.948 -38.705 1.00 0.00 WAT +ATOM 9157 H2 TIP3 949 32.949 -40.333 -39.125 1.00 0.00 WAT +ATOM 9158 OH2 TIP3 950 32.322 -41.265 -29.978 1.00 0.00 WAT +ATOM 9159 H1 TIP3 950 32.351 -42.210 -29.729 1.00 0.00 WAT +ATOM 9160 H2 TIP3 950 32.121 -41.325 -30.922 1.00 0.00 WAT +ATOM 9161 OH2 TIP3 951 34.559 -28.945 -25.658 1.00 0.00 WAT +ATOM 9162 H1 TIP3 951 33.842 -28.998 -26.307 1.00 0.00 WAT +ATOM 9163 H2 TIP3 951 34.086 -29.013 -24.818 1.00 0.00 WAT +ATOM 9164 OH2 TIP3 952 37.400 -27.950 -29.958 1.00 0.00 WAT +ATOM 9165 H1 TIP3 952 37.102 -27.119 -30.367 1.00 0.00 WAT +ATOM 9166 H2 TIP3 952 38.356 -27.889 -30.152 1.00 0.00 WAT +ATOM 9167 OH2 TIP3 953 42.197 -26.355 -27.098 1.00 0.00 WAT +ATOM 9168 H1 TIP3 953 42.048 -26.714 -26.209 1.00 0.00 WAT +ATOM 9169 H2 TIP3 953 43.144 -26.134 -27.035 1.00 0.00 WAT +ATOM 9170 OH2 TIP3 954 34.784 -25.013 -29.648 1.00 0.00 WAT +ATOM 9171 H1 TIP3 954 34.225 -24.381 -30.125 1.00 0.00 WAT +ATOM 9172 H2 TIP3 954 34.408 -24.976 -28.762 1.00 0.00 WAT +ATOM 9173 OH2 TIP3 955 37.320 -25.233 -31.059 1.00 0.00 WAT +ATOM 9174 H1 TIP3 955 36.449 -25.061 -30.656 1.00 0.00 WAT +ATOM 9175 H2 TIP3 955 37.348 -24.580 -31.781 1.00 0.00 WAT +ATOM 9176 OH2 TIP3 956 41.970 -25.481 -31.541 1.00 0.00 WAT +ATOM 9177 H1 TIP3 956 41.782 -25.003 -32.364 1.00 0.00 WAT +ATOM 9178 H2 TIP3 956 42.580 -24.887 -31.092 1.00 0.00 WAT +ATOM 9179 OH2 TIP3 957 34.295 -26.237 -32.696 1.00 0.00 WAT +ATOM 9180 H1 TIP3 957 34.362 -26.757 -31.867 1.00 0.00 WAT +ATOM 9181 H2 TIP3 957 35.074 -26.606 -33.184 1.00 0.00 WAT +ATOM 9182 OH2 TIP3 958 36.397 -27.185 -34.091 1.00 0.00 WAT +ATOM 9183 H1 TIP3 958 36.161 -28.042 -34.497 1.00 0.00 WAT +ATOM 9184 H2 TIP3 958 37.357 -27.256 -33.962 1.00 0.00 WAT +ATOM 9185 OH2 TIP3 959 39.209 -26.985 -33.403 1.00 0.00 WAT +ATOM 9186 H1 TIP3 959 39.347 -27.924 -33.616 1.00 0.00 WAT +ATOM 9187 H2 TIP3 959 39.198 -27.021 -32.434 1.00 0.00 WAT +ATOM 9188 OH2 TIP3 960 42.587 -41.434 -34.011 1.00 0.00 WAT +ATOM 9189 H1 TIP3 960 41.792 -41.983 -33.886 1.00 0.00 WAT +ATOM 9190 H2 TIP3 960 42.917 -41.762 -34.851 1.00 0.00 WAT +ATOM 9191 OH2 TIP3 961 34.787 -42.835 -36.782 1.00 0.00 WAT +ATOM 9192 H1 TIP3 961 33.863 -42.982 -37.012 1.00 0.00 WAT +ATOM 9193 H2 TIP3 961 35.049 -43.689 -36.426 1.00 0.00 WAT +ATOM 9194 OH2 TIP3 962 33.400 -42.821 -40.684 1.00 0.00 WAT +ATOM 9195 H1 TIP3 962 33.914 -42.301 -41.336 1.00 0.00 WAT +ATOM 9196 H2 TIP3 962 33.048 -42.119 -40.112 1.00 0.00 WAT +ATOM 9197 OH2 TIP3 963 39.339 -42.568 -36.750 1.00 0.00 WAT +ATOM 9198 H1 TIP3 963 40.256 -42.234 -36.678 1.00 0.00 WAT +ATOM 9199 H2 TIP3 963 39.183 -42.887 -35.855 1.00 0.00 WAT +ATOM 9200 OH2 TIP3 964 33.786 -26.898 -39.972 1.00 0.00 WAT +ATOM 9201 H1 TIP3 964 32.886 -26.951 -40.322 1.00 0.00 WAT +ATOM 9202 H2 TIP3 964 33.669 -26.355 -39.186 1.00 0.00 WAT +ATOM 9203 OH2 TIP3 965 35.280 -41.248 -42.240 1.00 0.00 WAT +ATOM 9204 H1 TIP3 965 35.919 -41.634 -42.857 1.00 0.00 WAT +ATOM 9205 H2 TIP3 965 35.858 -40.623 -41.767 1.00 0.00 WAT +ATOM 9206 OH2 TIP3 966 40.507 -40.654 -39.850 1.00 0.00 WAT +ATOM 9207 H1 TIP3 966 40.651 -41.468 -39.338 1.00 0.00 WAT +ATOM 9208 H2 TIP3 966 40.652 -39.946 -39.185 1.00 0.00 WAT +ATOM 9209 OH2 TIP3 967 42.699 -25.442 -41.435 1.00 0.00 WAT +ATOM 9210 H1 TIP3 967 43.554 -25.040 -41.665 1.00 0.00 WAT +ATOM 9211 H2 TIP3 967 42.518 -26.003 -42.220 1.00 0.00 WAT +ATOM 9212 OH2 TIP3 968 34.399 -41.783 -27.294 1.00 0.00 WAT +ATOM 9213 H1 TIP3 968 33.964 -42.595 -27.012 1.00 0.00 WAT +ATOM 9214 H2 TIP3 968 35.288 -42.134 -27.453 1.00 0.00 WAT +ATOM 9215 OH2 TIP3 969 37.320 -42.790 -24.673 1.00 0.00 WAT +ATOM 9216 H1 TIP3 969 38.199 -43.032 -25.041 1.00 0.00 WAT +ATOM 9217 H2 TIP3 969 37.091 -43.591 -24.188 1.00 0.00 WAT +ATOM 9218 OH2 TIP3 970 35.726 -25.844 -42.282 1.00 0.00 WAT +ATOM 9219 H1 TIP3 970 35.198 -25.706 -41.480 1.00 0.00 WAT +ATOM 9220 H2 TIP3 970 36.274 -26.595 -42.039 1.00 0.00 WAT +ATOM 9221 OH2 TIP3 971 -31.616 -14.832 -36.305 1.00 0.00 WAT +ATOM 9222 H1 TIP3 971 -31.608 -13.871 -36.163 1.00 0.00 WAT +ATOM 9223 H2 TIP3 971 -32.399 -14.930 -36.865 1.00 0.00 WAT +ATOM 9224 OH2 TIP3 972 -32.647 -15.361 -33.177 1.00 0.00 WAT +ATOM 9225 H1 TIP3 972 -32.723 -15.937 -32.401 1.00 0.00 WAT +ATOM 9226 H2 TIP3 972 -32.976 -15.936 -33.883 1.00 0.00 WAT +ATOM 9227 OH2 TIP3 973 -40.243 -15.783 -31.583 1.00 0.00 WAT +ATOM 9228 H1 TIP3 973 -40.329 -16.509 -30.939 1.00 0.00 WAT +ATOM 9229 H2 TIP3 973 -39.636 -15.193 -31.115 1.00 0.00 WAT +ATOM 9230 OH2 TIP3 974 -29.051 -12.539 -34.799 1.00 0.00 WAT +ATOM 9231 H1 TIP3 974 -29.385 -13.261 -34.254 1.00 0.00 WAT +ATOM 9232 H2 TIP3 974 -28.789 -11.899 -34.124 1.00 0.00 WAT +ATOM 9233 OH2 TIP3 975 -39.559 -11.143 -33.043 1.00 0.00 WAT +ATOM 9234 H1 TIP3 975 -39.840 -12.057 -33.217 1.00 0.00 WAT +ATOM 9235 H2 TIP3 975 -38.682 -11.284 -32.652 1.00 0.00 WAT +ATOM 9236 OH2 TIP3 976 -42.024 -18.138 -38.453 1.00 0.00 WAT +ATOM 9237 H1 TIP3 976 -42.087 -17.293 -37.992 1.00 0.00 WAT +ATOM 9238 H2 TIP3 976 -42.903 -18.501 -38.262 1.00 0.00 WAT +ATOM 9239 OH2 TIP3 977 -41.983 -15.536 -36.147 1.00 0.00 WAT +ATOM 9240 H1 TIP3 977 -41.897 -16.000 -35.297 1.00 0.00 WAT +ATOM 9241 H2 TIP3 977 -41.220 -14.943 -36.128 1.00 0.00 WAT +ATOM 9242 OH2 TIP3 978 -32.017 -7.271 -34.348 1.00 0.00 WAT +ATOM 9243 H1 TIP3 978 -31.425 -7.998 -34.616 1.00 0.00 WAT +ATOM 9244 H2 TIP3 978 -32.309 -7.548 -33.470 1.00 0.00 WAT +ATOM 9245 OH2 TIP3 979 -34.208 -12.859 -32.645 1.00 0.00 WAT +ATOM 9246 H1 TIP3 979 -33.862 -13.572 -33.207 1.00 0.00 WAT +ATOM 9247 H2 TIP3 979 -33.424 -12.669 -32.111 1.00 0.00 WAT +ATOM 9248 OH2 TIP3 980 -25.627 -21.310 -32.008 1.00 0.00 WAT +ATOM 9249 H1 TIP3 980 -25.351 -20.734 -31.274 1.00 0.00 WAT +ATOM 9250 H2 TIP3 980 -24.978 -21.055 -32.690 1.00 0.00 WAT +ATOM 9251 OH2 TIP3 981 -30.997 -18.525 -32.136 1.00 0.00 WAT +ATOM 9252 H1 TIP3 981 -30.821 -19.477 -32.064 1.00 0.00 WAT +ATOM 9253 H2 TIP3 981 -31.043 -18.408 -33.097 1.00 0.00 WAT +ATOM 9254 OH2 TIP3 982 -37.927 -20.507 -35.067 1.00 0.00 WAT +ATOM 9255 H1 TIP3 982 -37.868 -19.634 -35.501 1.00 0.00 WAT +ATOM 9256 H2 TIP3 982 -38.375 -21.017 -35.771 1.00 0.00 WAT +ATOM 9257 OH2 TIP3 983 -30.141 -20.435 -36.782 1.00 0.00 WAT +ATOM 9258 H1 TIP3 983 -29.559 -20.768 -36.059 1.00 0.00 WAT +ATOM 9259 H2 TIP3 983 -29.495 -19.936 -37.304 1.00 0.00 WAT +ATOM 9260 OH2 TIP3 984 -41.370 -17.786 -34.507 1.00 0.00 WAT +ATOM 9261 H1 TIP3 984 -40.801 -18.199 -33.838 1.00 0.00 WAT +ATOM 9262 H2 TIP3 984 -41.212 -18.362 -35.273 1.00 0.00 WAT +ATOM 9263 OH2 TIP3 985 -35.874 -16.402 -35.126 1.00 0.00 WAT +ATOM 9264 H1 TIP3 985 -35.210 -16.970 -34.689 1.00 0.00 WAT +ATOM 9265 H2 TIP3 985 -36.439 -17.064 -35.564 1.00 0.00 WAT +ATOM 9266 OH2 TIP3 986 -24.863 -19.964 -29.517 1.00 0.00 WAT +ATOM 9267 H1 TIP3 986 -25.479 -19.255 -29.775 1.00 0.00 WAT +ATOM 9268 H2 TIP3 986 -25.073 -20.046 -28.575 1.00 0.00 WAT +ATOM 9269 OH2 TIP3 987 -39.184 -21.694 -30.881 1.00 0.00 WAT +ATOM 9270 H1 TIP3 987 -39.636 -21.225 -31.598 1.00 0.00 WAT +ATOM 9271 H2 TIP3 987 -39.810 -21.539 -30.144 1.00 0.00 WAT +ATOM 9272 OH2 TIP3 988 -31.691 -11.968 -37.503 1.00 0.00 WAT +ATOM 9273 H1 TIP3 988 -32.035 -12.171 -38.377 1.00 0.00 WAT +ATOM 9274 H2 TIP3 988 -32.128 -11.120 -37.302 1.00 0.00 WAT +ATOM 9275 OH2 TIP3 989 -36.292 -13.854 -30.806 1.00 0.00 WAT +ATOM 9276 H1 TIP3 989 -37.019 -13.273 -30.489 1.00 0.00 WAT +ATOM 9277 H2 TIP3 989 -35.687 -13.204 -31.201 1.00 0.00 WAT +ATOM 9278 OH2 TIP3 990 -28.369 -21.076 -34.691 1.00 0.00 WAT +ATOM 9279 H1 TIP3 990 -28.684 -21.696 -34.021 1.00 0.00 WAT +ATOM 9280 H2 TIP3 990 -27.780 -20.513 -34.166 1.00 0.00 WAT +ATOM 9281 OH2 TIP3 991 -39.568 -19.665 -32.965 1.00 0.00 WAT +ATOM 9282 H1 TIP3 991 -38.949 -19.078 -32.486 1.00 0.00 WAT +ATOM 9283 H2 TIP3 991 -38.974 -20.032 -33.653 1.00 0.00 WAT +ATOM 9284 OH2 TIP3 992 -38.333 -11.930 -30.116 1.00 0.00 WAT +ATOM 9285 H1 TIP3 992 -38.203 -10.960 -30.163 1.00 0.00 WAT +ATOM 9286 H2 TIP3 992 -38.857 -11.964 -29.306 1.00 0.00 WAT +ATOM 9287 OH2 TIP3 993 -41.883 -12.383 -39.146 1.00 0.00 WAT +ATOM 9288 H1 TIP3 993 -42.529 -12.130 -39.835 1.00 0.00 WAT +ATOM 9289 H2 TIP3 993 -42.045 -11.723 -38.458 1.00 0.00 WAT +ATOM 9290 OH2 TIP3 994 -28.485 -10.867 -32.056 1.00 0.00 WAT +ATOM 9291 H1 TIP3 994 -29.430 -10.676 -32.217 1.00 0.00 WAT +ATOM 9292 H2 TIP3 994 -28.081 -10.036 -32.360 1.00 0.00 WAT +ATOM 9293 OH2 TIP3 995 -28.198 -21.963 -30.867 1.00 0.00 WAT +ATOM 9294 H1 TIP3 995 -28.957 -21.539 -31.305 1.00 0.00 WAT +ATOM 9295 H2 TIP3 995 -27.462 -21.756 -31.474 1.00 0.00 WAT +ATOM 9296 OH2 TIP3 996 -35.650 -24.623 -34.402 1.00 0.00 WAT +ATOM 9297 H1 TIP3 996 -34.756 -24.267 -34.340 1.00 0.00 WAT +ATOM 9298 H2 TIP3 996 -36.154 -24.040 -33.833 1.00 0.00 WAT +ATOM 9299 OH2 TIP3 997 -30.197 -8.891 -35.812 1.00 0.00 WAT +ATOM 9300 H1 TIP3 997 -29.703 -9.664 -36.144 1.00 0.00 WAT +ATOM 9301 H2 TIP3 997 -29.533 -8.182 -35.920 1.00 0.00 WAT +ATOM 9302 OH2 TIP3 998 -28.736 -11.026 -37.210 1.00 0.00 WAT +ATOM 9303 H1 TIP3 998 -29.295 -11.487 -37.849 1.00 0.00 WAT +ATOM 9304 H2 TIP3 998 -28.789 -11.623 -36.440 1.00 0.00 WAT +ATOM 9305 OH2 TIP3 999 -32.912 -15.354 -39.044 1.00 0.00 WAT +ATOM 9306 H1 TIP3 999 -33.578 -14.701 -39.339 1.00 0.00 WAT +ATOM 9307 H2 TIP3 999 -32.195 -15.206 -39.679 1.00 0.00 WAT +ATOM 9308 OH2 TIP3 1000 -32.725 -17.078 -42.063 1.00 0.00 WAT +ATOM 9309 H1 TIP3 1000 -32.057 -16.735 -41.444 1.00 0.00 WAT +ATOM 9310 H2 TIP3 1000 -32.172 -17.687 -42.599 1.00 0.00 WAT +ATOM 9311 OH2 TIP3 1001 -25.587 -15.954 -30.790 1.00 0.00 WAT +ATOM 9312 H1 TIP3 1001 -26.234 -15.237 -30.658 1.00 0.00 WAT +ATOM 9313 H2 TIP3 1001 -25.083 -15.626 -31.560 1.00 0.00 WAT +ATOM 9314 OH2 TIP3 1002 -29.448 -15.324 -37.947 1.00 0.00 WAT +ATOM 9315 H1 TIP3 1002 -30.128 -15.093 -37.273 1.00 0.00 WAT +ATOM 9316 H2 TIP3 1002 -28.826 -15.850 -37.409 1.00 0.00 WAT +ATOM 9317 OH2 TIP3 1003 -29.573 -16.794 -29.080 1.00 0.00 WAT +ATOM 9318 H1 TIP3 1003 -29.680 -16.152 -28.359 1.00 0.00 WAT +ATOM 9319 H2 TIP3 1003 -30.244 -16.472 -29.713 1.00 0.00 WAT +ATOM 9320 OH2 TIP3 1004 -37.785 -14.493 -36.182 1.00 0.00 WAT +ATOM 9321 H1 TIP3 1004 -38.148 -14.927 -36.976 1.00 0.00 WAT +ATOM 9322 H2 TIP3 1004 -37.176 -15.168 -35.837 1.00 0.00 WAT +ATOM 9323 OH2 TIP3 1005 -36.426 -11.091 -33.455 1.00 0.00 WAT +ATOM 9324 H1 TIP3 1005 -36.569 -11.532 -34.302 1.00 0.00 WAT +ATOM 9325 H2 TIP3 1005 -35.658 -11.571 -33.096 1.00 0.00 WAT +ATOM 9326 OH2 TIP3 1006 -37.265 -15.728 -32.730 1.00 0.00 WAT +ATOM 9327 H1 TIP3 1006 -36.659 -15.641 -33.488 1.00 0.00 WAT +ATOM 9328 H2 TIP3 1006 -36.943 -15.045 -32.113 1.00 0.00 WAT +ATOM 9329 OH2 TIP3 1007 -31.194 -10.242 -32.098 1.00 0.00 WAT +ATOM 9330 H1 TIP3 1007 -31.377 -9.487 -31.515 1.00 0.00 WAT +ATOM 9331 H2 TIP3 1007 -31.545 -11.010 -31.618 1.00 0.00 WAT +ATOM 9332 OH2 TIP3 1008 -30.349 -15.844 -40.577 1.00 0.00 WAT +ATOM 9333 H1 TIP3 1008 -29.943 -15.573 -39.726 1.00 0.00 WAT +ATOM 9334 H2 TIP3 1008 -29.748 -15.407 -41.213 1.00 0.00 WAT +ATOM 9335 OH2 TIP3 1009 -39.562 -15.062 -28.696 1.00 0.00 WAT +ATOM 9336 H1 TIP3 1009 -39.469 -14.483 -27.909 1.00 0.00 WAT +ATOM 9337 H2 TIP3 1009 -40.536 -15.085 -28.768 1.00 0.00 WAT +ATOM 9338 OH2 TIP3 1010 -33.016 -9.235 -36.960 1.00 0.00 WAT +ATOM 9339 H1 TIP3 1010 -32.553 -8.963 -36.158 1.00 0.00 WAT +ATOM 9340 H2 TIP3 1010 -33.511 -8.436 -37.196 1.00 0.00 WAT +ATOM 9341 OH2 TIP3 1011 -26.961 -24.124 -40.766 1.00 0.00 WAT +ATOM 9342 H1 TIP3 1011 -27.836 -23.925 -40.396 1.00 0.00 WAT +ATOM 9343 H2 TIP3 1011 -26.664 -23.255 -41.070 1.00 0.00 WAT +ATOM 9344 OH2 TIP3 1012 -38.870 -15.797 -38.699 1.00 0.00 WAT +ATOM 9345 H1 TIP3 1012 -39.164 -14.993 -39.169 1.00 0.00 WAT +ATOM 9346 H2 TIP3 1012 -39.607 -16.397 -38.872 1.00 0.00 WAT +ATOM 9347 OH2 TIP3 1013 -25.898 -9.853 -42.505 1.00 0.00 WAT +ATOM 9348 H1 TIP3 1013 -25.586 -9.048 -42.061 1.00 0.00 WAT +ATOM 9349 H2 TIP3 1013 -25.148 -10.465 -42.412 1.00 0.00 WAT +ATOM 9350 OH2 TIP3 1014 -42.754 -12.975 -30.213 1.00 0.00 WAT +ATOM 9351 H1 TIP3 1014 -42.928 -13.405 -31.066 1.00 0.00 WAT +ATOM 9352 H2 TIP3 1014 -43.133 -13.614 -29.587 1.00 0.00 WAT +ATOM 9353 OH2 TIP3 1015 -42.751 -10.083 -33.162 1.00 0.00 WAT +ATOM 9354 H1 TIP3 1015 -41.975 -10.596 -32.908 1.00 0.00 WAT +ATOM 9355 H2 TIP3 1015 -43.066 -9.731 -32.322 1.00 0.00 WAT +ATOM 9356 OH2 TIP3 1016 -24.438 -9.569 -27.215 1.00 0.00 WAT +ATOM 9357 H1 TIP3 1016 -24.547 -10.529 -27.317 1.00 0.00 WAT +ATOM 9358 H2 TIP3 1016 -25.316 -9.301 -26.864 1.00 0.00 WAT +ATOM 9359 OH2 TIP3 1017 -33.853 -10.429 -28.374 1.00 0.00 WAT +ATOM 9360 H1 TIP3 1017 -33.622 -9.605 -27.902 1.00 0.00 WAT +ATOM 9361 H2 TIP3 1017 -34.756 -10.576 -28.055 1.00 0.00 WAT +ATOM 9362 OH2 TIP3 1018 -33.460 -6.537 -38.475 1.00 0.00 WAT +ATOM 9363 H1 TIP3 1018 -33.467 -6.408 -39.439 1.00 0.00 WAT +ATOM 9364 H2 TIP3 1018 -33.432 -5.628 -38.134 1.00 0.00 WAT +ATOM 9365 OH2 TIP3 1019 -39.777 -7.392 -36.766 1.00 0.00 WAT +ATOM 9366 H1 TIP3 1019 -39.535 -7.821 -35.920 1.00 0.00 WAT +ATOM 9367 H2 TIP3 1019 -40.540 -7.951 -37.004 1.00 0.00 WAT +ATOM 9368 OH2 TIP3 1020 -30.236 -6.926 -41.388 1.00 0.00 WAT +ATOM 9369 H1 TIP3 1020 -29.785 -7.512 -42.031 1.00 0.00 WAT +ATOM 9370 H2 TIP3 1020 -30.200 -7.457 -40.576 1.00 0.00 WAT +ATOM 9371 OH2 TIP3 1021 -30.751 -7.654 -38.626 1.00 0.00 WAT +ATOM 9372 H1 TIP3 1021 -31.683 -7.480 -38.409 1.00 0.00 WAT +ATOM 9373 H2 TIP3 1021 -30.531 -8.320 -37.956 1.00 0.00 WAT +ATOM 9374 OH2 TIP3 1022 -27.618 -18.156 -26.806 1.00 0.00 WAT +ATOM 9375 H1 TIP3 1022 -28.156 -17.834 -27.539 1.00 0.00 WAT +ATOM 9376 H2 TIP3 1022 -27.610 -19.119 -26.973 1.00 0.00 WAT +ATOM 9377 OH2 TIP3 1023 -41.150 -11.452 -28.344 1.00 0.00 WAT +ATOM 9378 H1 TIP3 1023 -40.402 -11.856 -27.881 1.00 0.00 WAT +ATOM 9379 H2 TIP3 1023 -41.499 -12.140 -28.937 1.00 0.00 WAT +ATOM 9380 OH2 TIP3 1024 -37.455 -23.003 -32.874 1.00 0.00 WAT +ATOM 9381 H1 TIP3 1024 -38.276 -23.172 -33.377 1.00 0.00 WAT +ATOM 9382 H2 TIP3 1024 -37.777 -22.341 -32.243 1.00 0.00 WAT +ATOM 9383 OH2 TIP3 1025 -33.354 -23.821 -28.855 1.00 0.00 WAT +ATOM 9384 H1 TIP3 1025 -32.686 -24.281 -28.707 1.00 0.00 WAT +ATOM 9385 H2 TIP3 1025 -33.194 -22.962 -28.173 1.00 0.00 WAT +ATOM 9386 OH2 TIP3 1026 -30.005 -19.727 -28.764 1.00 0.00 WAT +ATOM 9387 H1 TIP3 1026 -30.533 -19.899 -27.961 1.00 0.00 WAT +ATOM 9388 H2 TIP3 1026 -30.018 -18.758 -28.835 1.00 0.00 WAT +ATOM 9389 OH2 TIP3 1027 -28.140 -15.043 -42.519 1.00 0.00 WAT +ATOM 9390 H1 TIP3 1027 -28.605 -15.173 -43.360 1.00 0.00 WAT +ATOM 9391 H2 TIP3 1027 -27.826 -14.138 -42.650 1.00 0.00 WAT +ATOM 9392 OH2 TIP3 1028 -33.343 -21.228 -41.909 1.00 0.00 WAT +ATOM 9393 H1 TIP3 1028 -33.925 -21.034 -41.171 1.00 0.00 WAT +ATOM 9394 H2 TIP3 1028 -33.883 -21.825 -42.446 1.00 0.00 WAT +ATOM 9395 OH2 TIP3 1029 -37.604 -18.297 -31.468 1.00 0.00 WAT +ATOM 9396 H1 TIP3 1029 -38.213 -18.195 -30.715 1.00 0.00 WAT +ATOM 9397 H2 TIP3 1029 -37.573 -17.387 -31.834 1.00 0.00 WAT +ATOM 9398 OH2 TIP3 1030 -37.689 -18.209 -36.609 1.00 0.00 WAT +ATOM 9399 H1 TIP3 1030 -38.654 -18.293 -36.733 1.00 0.00 WAT +ATOM 9400 H2 TIP3 1030 -37.377 -18.375 -37.515 1.00 0.00 WAT +ATOM 9401 OH2 TIP3 1031 -32.209 -17.821 -37.969 1.00 0.00 WAT +ATOM 9402 H1 TIP3 1031 -32.530 -16.923 -38.206 1.00 0.00 WAT +ATOM 9403 H2 TIP3 1031 -31.442 -17.901 -38.560 1.00 0.00 WAT +ATOM 9404 OH2 TIP3 1032 -32.793 -17.511 -26.493 1.00 0.00 WAT +ATOM 9405 H1 TIP3 1032 -33.358 -18.203 -26.095 1.00 0.00 WAT +ATOM 9406 H2 TIP3 1032 -31.953 -17.646 -26.010 1.00 0.00 WAT +ATOM 9407 OH2 TIP3 1033 -31.222 -18.265 -35.071 1.00 0.00 WAT +ATOM 9408 H1 TIP3 1033 -31.526 -17.675 -35.785 1.00 0.00 WAT +ATOM 9409 H2 TIP3 1033 -31.018 -19.068 -35.588 1.00 0.00 WAT +ATOM 9410 OH2 TIP3 1034 -40.192 -18.155 -29.663 1.00 0.00 WAT +ATOM 9411 H1 TIP3 1034 -40.023 -17.728 -28.815 1.00 0.00 WAT +ATOM 9412 H2 TIP3 1034 -40.514 -19.029 -29.384 1.00 0.00 WAT +ATOM 9413 OH2 TIP3 1035 -36.520 -20.763 -43.084 1.00 0.00 WAT +ATOM 9414 H1 TIP3 1035 -36.990 -21.009 -42.277 1.00 0.00 WAT +ATOM 9415 H2 TIP3 1035 -37.204 -20.208 -43.520 1.00 0.00 WAT +ATOM 9416 OH2 TIP3 1036 -43.210 -20.461 -35.961 1.00 0.00 WAT +ATOM 9417 H1 TIP3 1036 -43.051 -20.758 -35.046 1.00 0.00 WAT +ATOM 9418 H2 TIP3 1036 -42.869 -21.197 -36.474 1.00 0.00 WAT +ATOM 9419 OH2 TIP3 1037 -42.070 -20.280 -40.425 1.00 0.00 WAT +ATOM 9420 H1 TIP3 1037 -41.479 -19.854 -41.065 1.00 0.00 WAT +ATOM 9421 H2 TIP3 1037 -42.750 -19.607 -40.316 1.00 0.00 WAT +ATOM 9422 OH2 TIP3 1038 -32.061 -16.574 -30.531 1.00 0.00 WAT +ATOM 9423 H1 TIP3 1038 -31.653 -17.298 -31.059 1.00 0.00 WAT +ATOM 9424 H2 TIP3 1038 -32.478 -17.077 -29.814 1.00 0.00 WAT +ATOM 9425 OH2 TIP3 1039 -35.044 -20.721 -35.720 1.00 0.00 WAT +ATOM 9426 H1 TIP3 1039 -35.947 -20.671 -35.354 1.00 0.00 WAT +ATOM 9427 H2 TIP3 1039 -34.512 -20.842 -34.916 1.00 0.00 WAT +ATOM 9428 OH2 TIP3 1040 -40.294 -19.448 -36.821 1.00 0.00 WAT +ATOM 9429 H1 TIP3 1040 -41.027 -19.153 -37.403 1.00 0.00 WAT +ATOM 9430 H2 TIP3 1040 -40.029 -20.278 -37.252 1.00 0.00 WAT +ATOM 9431 OH2 TIP3 1041 -36.688 -19.087 -39.302 1.00 0.00 WAT +ATOM 9432 H1 TIP3 1041 -35.749 -18.869 -39.238 1.00 0.00 WAT +ATOM 9433 H2 TIP3 1041 -37.024 -18.445 -39.960 1.00 0.00 WAT +ATOM 9434 OH2 TIP3 1042 -30.568 -21.500 -32.602 1.00 0.00 WAT +ATOM 9435 H1 TIP3 1042 -31.153 -21.515 -31.814 1.00 0.00 WAT +ATOM 9436 H2 TIP3 1042 -31.189 -21.787 -33.287 1.00 0.00 WAT +ATOM 9437 OH2 TIP3 1043 -38.087 -17.943 -41.556 1.00 0.00 WAT +ATOM 9438 H1 TIP3 1043 -38.761 -18.346 -42.132 1.00 0.00 WAT +ATOM 9439 H2 TIP3 1043 -37.407 -17.670 -42.190 1.00 0.00 WAT +ATOM 9440 OH2 TIP3 1044 -27.422 -5.819 -25.919 1.00 0.00 WAT +ATOM 9441 H1 TIP3 1044 -27.311 -5.237 -26.689 1.00 0.00 WAT +ATOM 9442 H2 TIP3 1044 -26.916 -5.332 -25.248 1.00 0.00 WAT +ATOM 9443 OH2 TIP3 1045 -39.657 -13.423 -26.390 1.00 0.00 WAT +ATOM 9444 H1 TIP3 1045 -38.947 -12.930 -25.931 1.00 0.00 WAT +ATOM 9445 H2 TIP3 1045 -40.417 -13.025 -25.930 1.00 0.00 WAT +ATOM 9446 OH2 TIP3 1046 -33.901 -18.106 -33.773 1.00 0.00 WAT +ATOM 9447 H1 TIP3 1046 -33.123 -18.513 -34.181 1.00 0.00 WAT +ATOM 9448 H2 TIP3 1046 -34.064 -18.689 -33.004 1.00 0.00 WAT +ATOM 9449 OH2 TIP3 1047 -38.682 -21.760 -37.511 1.00 0.00 WAT +ATOM 9450 H1 TIP3 1047 -39.262 -22.538 -37.497 1.00 0.00 WAT +ATOM 9451 H2 TIP3 1047 -38.099 -21.939 -38.259 1.00 0.00 WAT +ATOM 9452 OH2 TIP3 1048 -34.882 -19.606 -31.512 1.00 0.00 WAT +ATOM 9453 H1 TIP3 1048 -35.687 -19.058 -31.483 1.00 0.00 WAT +ATOM 9454 H2 TIP3 1048 -34.428 -19.358 -30.679 1.00 0.00 WAT +ATOM 9455 OH2 TIP3 1049 -34.724 -13.295 -39.587 1.00 0.00 WAT +ATOM 9456 H1 TIP3 1049 -35.521 -13.731 -39.952 1.00 0.00 WAT +ATOM 9457 H2 TIP3 1049 -34.963 -13.181 -38.636 1.00 0.00 WAT +ATOM 9458 OH2 TIP3 1050 -27.634 -13.833 -30.580 1.00 0.00 WAT +ATOM 9459 H1 TIP3 1050 -27.116 -13.291 -31.207 1.00 0.00 WAT +ATOM 9460 H2 TIP3 1050 -28.433 -14.016 -31.105 1.00 0.00 WAT +ATOM 9461 OH2 TIP3 1051 -30.696 -20.574 -41.719 1.00 0.00 WAT +ATOM 9462 H1 TIP3 1051 -31.664 -20.467 -41.826 1.00 0.00 WAT +ATOM 9463 H2 TIP3 1051 -30.432 -19.766 -41.233 1.00 0.00 WAT +ATOM 9464 OH2 TIP3 1052 -33.002 -13.258 -28.289 1.00 0.00 WAT +ATOM 9465 H1 TIP3 1052 -33.422 -13.585 -27.475 1.00 0.00 WAT +ATOM 9466 H2 TIP3 1052 -33.330 -12.341 -28.302 1.00 0.00 WAT +ATOM 9467 OH2 TIP3 1053 -30.018 -18.627 -39.880 1.00 0.00 WAT +ATOM 9468 H1 TIP3 1053 -29.155 -18.797 -39.451 1.00 0.00 WAT +ATOM 9469 H2 TIP3 1053 -29.884 -17.742 -40.266 1.00 0.00 WAT +ATOM 9470 OH2 TIP3 1054 -39.821 -13.978 -33.935 1.00 0.00 WAT +ATOM 9471 H1 TIP3 1054 -39.086 -13.991 -34.571 1.00 0.00 WAT +ATOM 9472 H2 TIP3 1054 -39.627 -14.750 -33.376 1.00 0.00 WAT +ATOM 9473 OH2 TIP3 1055 -32.335 -11.902 -40.691 1.00 0.00 WAT +ATOM 9474 H1 TIP3 1055 -32.619 -11.015 -40.385 1.00 0.00 WAT +ATOM 9475 H2 TIP3 1055 -33.106 -12.433 -40.417 1.00 0.00 WAT +ATOM 9476 OH2 TIP3 1056 -42.337 -15.427 -28.239 1.00 0.00 WAT +ATOM 9477 H1 TIP3 1056 -42.328 -16.052 -27.493 1.00 0.00 WAT +ATOM 9478 H2 TIP3 1056 -42.864 -15.919 -28.909 1.00 0.00 WAT +ATOM 9479 OH2 TIP3 1057 -35.425 -16.068 -26.495 1.00 0.00 WAT +ATOM 9480 H1 TIP3 1057 -35.777 -16.317 -27.366 1.00 0.00 WAT +ATOM 9481 H2 TIP3 1057 -34.483 -16.277 -26.602 1.00 0.00 WAT +ATOM 9482 OH2 TIP3 1058 -25.302 -18.505 -39.979 1.00 0.00 WAT +ATOM 9483 H1 TIP3 1058 -25.923 -18.702 -40.703 1.00 0.00 WAT +ATOM 9484 H2 TIP3 1058 -25.168 -17.557 -40.157 1.00 0.00 WAT +ATOM 9485 OH2 TIP3 1059 -25.145 -12.548 -27.458 1.00 0.00 WAT +ATOM 9486 H1 TIP3 1059 -26.038 -12.352 -27.757 1.00 0.00 WAT +ATOM 9487 H2 TIP3 1059 -24.678 -12.715 -28.308 1.00 0.00 WAT +ATOM 9488 OH2 TIP3 1060 -27.083 -9.967 -39.922 1.00 0.00 WAT +ATOM 9489 H1 TIP3 1060 -27.356 -10.725 -39.386 1.00 0.00 WAT +ATOM 9490 H2 TIP3 1060 -26.728 -10.384 -40.721 1.00 0.00 WAT +ATOM 9491 OH2 TIP3 1061 -29.844 -14.683 -32.424 1.00 0.00 WAT +ATOM 9492 H1 TIP3 1061 -30.755 -14.843 -32.731 1.00 0.00 WAT +ATOM 9493 H2 TIP3 1061 -29.361 -15.358 -32.940 1.00 0.00 WAT +ATOM 9494 OH2 TIP3 1062 -37.253 -10.579 -36.584 1.00 0.00 WAT +ATOM 9495 H1 TIP3 1062 -36.869 -9.690 -36.628 1.00 0.00 WAT +ATOM 9496 H2 TIP3 1062 -38.194 -10.394 -36.712 1.00 0.00 WAT +ATOM 9497 OH2 TIP3 1063 -41.577 -15.627 -41.912 1.00 0.00 WAT +ATOM 9498 H1 TIP3 1063 -40.835 -15.044 -41.671 1.00 0.00 WAT +ATOM 9499 H2 TIP3 1063 -42.324 -15.059 -41.697 1.00 0.00 WAT +ATOM 9500 OH2 TIP3 1064 -35.430 -12.869 -36.921 1.00 0.00 WAT +ATOM 9501 H1 TIP3 1064 -35.733 -11.959 -36.760 1.00 0.00 WAT +ATOM 9502 H2 TIP3 1064 -36.147 -13.374 -36.503 1.00 0.00 WAT +ATOM 9503 OH2 TIP3 1065 -35.224 -8.631 -30.570 1.00 0.00 WAT +ATOM 9504 H1 TIP3 1065 -34.679 -7.863 -30.802 1.00 0.00 WAT +ATOM 9505 H2 TIP3 1065 -34.674 -9.083 -29.913 1.00 0.00 WAT +ATOM 9506 OH2 TIP3 1066 -36.813 -7.658 -37.366 1.00 0.00 WAT +ATOM 9507 H1 TIP3 1066 -37.767 -7.545 -37.232 1.00 0.00 WAT +ATOM 9508 H2 TIP3 1066 -36.470 -6.794 -37.070 1.00 0.00 WAT +ATOM 9509 OH2 TIP3 1067 -31.557 -12.804 -30.701 1.00 0.00 WAT +ATOM 9510 H1 TIP3 1067 -32.066 -13.173 -29.949 1.00 0.00 WAT +ATOM 9511 H2 TIP3 1067 -31.063 -13.574 -31.028 1.00 0.00 WAT +ATOM 9512 OH2 TIP3 1068 -29.695 -11.616 -41.946 1.00 0.00 WAT +ATOM 9513 H1 TIP3 1068 -29.214 -12.042 -41.211 1.00 0.00 WAT +ATOM 9514 H2 TIP3 1068 -30.598 -11.668 -41.594 1.00 0.00 WAT +ATOM 9515 OH2 TIP3 1069 -29.082 -8.615 -28.798 1.00 0.00 WAT +ATOM 9516 H1 TIP3 1069 -29.858 -8.486 -29.386 1.00 0.00 WAT +ATOM 9517 H2 TIP3 1069 -28.594 -7.804 -29.035 1.00 0.00 WAT +ATOM 9518 OH2 TIP3 1070 -24.799 -7.121 -41.597 1.00 0.00 WAT +ATOM 9519 H1 TIP3 1070 -24.105 -6.444 -41.442 1.00 0.00 WAT +ATOM 9520 H2 TIP3 1070 -25.600 -6.615 -41.345 1.00 0.00 WAT +ATOM 9521 OH2 TIP3 1071 -41.000 -20.857 -28.878 1.00 0.00 WAT +ATOM 9522 H1 TIP3 1071 -41.864 -20.461 -29.096 1.00 0.00 WAT +ATOM 9523 H2 TIP3 1071 -41.229 -21.703 -28.453 1.00 0.00 WAT +ATOM 9524 OH2 TIP3 1072 -28.712 -12.995 -39.698 1.00 0.00 WAT +ATOM 9525 H1 TIP3 1072 -28.975 -13.680 -39.059 1.00 0.00 WAT +ATOM 9526 H2 TIP3 1072 -27.742 -12.998 -39.595 1.00 0.00 WAT +ATOM 9527 OH2 TIP3 1073 -41.215 -9.041 -30.323 1.00 0.00 WAT +ATOM 9528 H1 TIP3 1073 -41.115 -9.994 -30.452 1.00 0.00 WAT +ATOM 9529 H2 TIP3 1073 -40.802 -8.986 -29.452 1.00 0.00 WAT +ATOM 9530 OH2 TIP3 1074 -35.197 -10.540 -43.261 1.00 0.00 WAT +ATOM 9531 H1 TIP3 1074 -34.837 -11.399 -43.536 1.00 0.00 WAT +ATOM 9532 H2 TIP3 1074 -35.749 -10.806 -42.498 1.00 0.00 WAT +ATOM 9533 OH2 TIP3 1075 -36.630 -10.992 -40.774 1.00 0.00 WAT +ATOM 9534 H1 TIP3 1075 -36.165 -11.500 -40.096 1.00 0.00 WAT +ATOM 9535 H2 TIP3 1075 -36.462 -10.069 -40.495 1.00 0.00 WAT +ATOM 9536 OH2 TIP3 1076 -39.832 -13.633 -40.348 1.00 0.00 WAT +ATOM 9537 H1 TIP3 1076 -40.603 -13.229 -39.880 1.00 0.00 WAT +ATOM 9538 H2 TIP3 1076 -39.412 -12.821 -40.665 1.00 0.00 WAT +ATOM 9539 OH2 TIP3 1077 -32.055 -21.184 -30.375 1.00 0.00 WAT +ATOM 9540 H1 TIP3 1077 -31.487 -20.768 -29.696 1.00 0.00 WAT +ATOM 9541 H2 TIP3 1077 -32.634 -21.758 -29.863 1.00 0.00 WAT +ATOM 9542 OH2 TIP3 1078 -31.632 -21.755 -39.146 1.00 0.00 WAT +ATOM 9543 H1 TIP3 1078 -31.357 -21.258 -39.940 1.00 0.00 WAT +ATOM 9544 H2 TIP3 1078 -31.158 -21.266 -38.446 1.00 0.00 WAT +ATOM 9545 OH2 TIP3 1079 -33.685 -9.412 -40.294 1.00 0.00 WAT +ATOM 9546 H1 TIP3 1079 -34.461 -8.904 -40.009 1.00 0.00 WAT +ATOM 9547 H2 TIP3 1079 -33.167 -8.726 -40.732 1.00 0.00 WAT +ATOM 9548 OH2 TIP3 1080 -33.983 -20.150 -38.217 1.00 0.00 WAT +ATOM 9549 H1 TIP3 1080 -33.382 -19.374 -38.228 1.00 0.00 WAT +ATOM 9550 H2 TIP3 1080 -34.434 -20.019 -37.353 1.00 0.00 WAT +ATOM 9551 OH2 TIP3 1081 -33.610 -18.742 -29.006 1.00 0.00 WAT +ATOM 9552 H1 TIP3 1081 -33.648 -18.216 -28.187 1.00 0.00 WAT +ATOM 9553 H2 TIP3 1081 -33.131 -19.518 -28.694 1.00 0.00 WAT +ATOM 9554 OH2 TIP3 1082 -36.481 -8.219 -40.246 1.00 0.00 WAT +ATOM 9555 H1 TIP3 1082 -36.451 -7.360 -40.714 1.00 0.00 WAT +ATOM 9556 H2 TIP3 1082 -36.629 -7.944 -39.321 1.00 0.00 WAT +ATOM 9557 OH2 TIP3 1083 -37.610 -21.620 -40.539 1.00 0.00 WAT +ATOM 9558 H1 TIP3 1083 -37.572 -20.746 -40.109 1.00 0.00 WAT +ATOM 9559 H2 TIP3 1083 -36.700 -21.941 -40.494 1.00 0.00 WAT +ATOM 9560 OH2 TIP3 1084 -27.404 -20.696 -28.141 1.00 0.00 WAT +ATOM 9561 H1 TIP3 1084 -28.366 -20.612 -28.259 1.00 0.00 WAT +ATOM 9562 H2 TIP3 1084 -27.158 -20.960 -29.037 1.00 0.00 WAT +ATOM 9563 OH2 TIP3 1085 -28.890 -16.877 -34.092 1.00 0.00 WAT +ATOM 9564 H1 TIP3 1085 -29.716 -17.324 -34.346 1.00 0.00 WAT +ATOM 9565 H2 TIP3 1085 -28.408 -17.586 -33.612 1.00 0.00 WAT +ATOM 9566 OH2 TIP3 1086 -39.342 -10.602 -41.618 1.00 0.00 WAT +ATOM 9567 H1 TIP3 1086 -38.533 -10.379 -41.131 1.00 0.00 WAT +ATOM 9568 H2 TIP3 1086 -38.984 -11.199 -42.294 1.00 0.00 WAT +ATOM 9569 OH2 TIP3 1087 -40.989 -18.477 -42.604 1.00 0.00 WAT +ATOM 9570 H1 TIP3 1087 -41.046 -17.528 -42.389 1.00 0.00 WAT +ATOM 9571 H2 TIP3 1087 -41.892 -18.675 -42.912 1.00 0.00 WAT +ATOM 9572 OH2 TIP3 1088 -27.794 -8.050 -32.614 1.00 0.00 WAT +ATOM 9573 H1 TIP3 1088 -28.069 -7.288 -33.161 1.00 0.00 WAT +ATOM 9574 H2 TIP3 1088 -26.863 -7.809 -32.466 1.00 0.00 WAT +ATOM 9575 OH2 TIP3 1089 -40.233 -23.635 -33.744 1.00 0.00 WAT +ATOM 9576 H1 TIP3 1089 -40.598 -23.625 -34.646 1.00 0.00 WAT +ATOM 9577 H2 TIP3 1089 -40.685 -24.410 -33.351 1.00 0.00 WAT +ATOM 9578 OH2 TIP3 1090 -41.321 -9.841 -37.414 1.00 0.00 WAT +ATOM 9579 H1 TIP3 1090 -42.277 -9.664 -37.364 1.00 0.00 WAT +ATOM 9580 H2 TIP3 1090 -41.094 -9.567 -38.310 1.00 0.00 WAT +ATOM 9581 OH2 TIP3 1091 -42.130 -7.108 -26.345 1.00 0.00 WAT +ATOM 9582 H1 TIP3 1091 -41.461 -7.044 -25.630 1.00 0.00 WAT +ATOM 9583 H2 TIP3 1091 -42.148 -8.075 -26.424 1.00 0.00 WAT +ATOM 9584 OH2 TIP3 1092 -37.043 -7.924 -24.611 1.00 0.00 WAT +ATOM 9585 H1 TIP3 1092 -36.545 -8.660 -24.235 1.00 0.00 WAT +ATOM 9586 H2 TIP3 1092 -37.444 -8.364 -25.376 1.00 0.00 WAT +ATOM 9587 OH2 TIP3 1093 -33.053 -8.699 -43.334 1.00 0.00 WAT +ATOM 9588 H1 TIP3 1093 -33.859 -9.251 -43.257 1.00 0.00 WAT +ATOM 9589 H2 TIP3 1093 -32.396 -9.387 -43.517 1.00 0.00 WAT +ATOM 9590 OH2 TIP3 1094 -30.442 -10.176 -26.313 1.00 0.00 WAT +ATOM 9591 H1 TIP3 1094 -31.171 -10.671 -25.878 1.00 0.00 WAT +ATOM 9592 H2 TIP3 1094 -30.128 -9.645 -25.554 1.00 0.00 WAT +ATOM 9593 OH2 TIP3 1095 -29.179 -9.001 -42.892 1.00 0.00 WAT +ATOM 9594 H1 TIP3 1095 -28.929 -9.807 -42.418 1.00 0.00 WAT +ATOM 9595 H2 TIP3 1095 -28.327 -8.606 -43.154 1.00 0.00 WAT +ATOM 9596 OH2 TIP3 1096 -42.156 -13.222 -25.479 1.00 0.00 WAT +ATOM 9597 H1 TIP3 1096 -41.825 -13.938 -26.038 1.00 0.00 WAT +ATOM 9598 H2 TIP3 1096 -42.756 -12.747 -26.074 1.00 0.00 WAT +ATOM 9599 OH2 TIP3 1097 -37.754 -12.965 -43.067 1.00 0.00 WAT +ATOM 9600 H1 TIP3 1097 -37.537 -13.593 -42.364 1.00 0.00 WAT +ATOM 9601 H2 TIP3 1097 -37.029 -13.060 -43.701 1.00 0.00 WAT +ATOM 9602 OH2 TIP3 1098 -35.255 -13.171 -26.137 1.00 0.00 WAT +ATOM 9603 H1 TIP3 1098 -35.977 -12.917 -26.729 1.00 0.00 WAT +ATOM 9604 H2 TIP3 1098 -35.343 -14.139 -26.072 1.00 0.00 WAT +ATOM 9605 OH2 TIP3 1099 -32.448 -11.902 -43.479 1.00 0.00 WAT +ATOM 9606 H1 TIP3 1099 -32.306 -11.771 -42.523 1.00 0.00 WAT +ATOM 9607 H2 TIP3 1099 -31.797 -12.583 -43.698 1.00 0.00 WAT +ATOM 9608 OH2 TIP3 1100 -41.391 -16.612 -25.829 1.00 0.00 WAT +ATOM 9609 H1 TIP3 1100 -40.524 -17.040 -25.955 1.00 0.00 WAT +ATOM 9610 H2 TIP3 1100 -41.215 -16.070 -25.046 1.00 0.00 WAT +ATOM 9611 OH2 TIP3 1101 -36.737 -14.977 -40.908 1.00 0.00 WAT +ATOM 9612 H1 TIP3 1101 -37.367 -15.404 -40.305 1.00 0.00 WAT +ATOM 9613 H2 TIP3 1101 -36.410 -15.732 -41.431 1.00 0.00 WAT +ATOM 9614 OH2 TIP3 1102 -37.474 -17.226 -28.528 1.00 0.00 WAT +ATOM 9615 H1 TIP3 1102 -38.060 -16.468 -28.346 1.00 0.00 WAT +ATOM 9616 H2 TIP3 1102 -36.857 -16.846 -29.176 1.00 0.00 WAT +ATOM 9617 OH2 TIP3 1103 -35.529 -16.951 -42.696 1.00 0.00 WAT +ATOM 9618 H1 TIP3 1103 -35.560 -17.082 -43.654 1.00 0.00 WAT +ATOM 9619 H2 TIP3 1103 -34.565 -16.905 -42.531 1.00 0.00 WAT +ATOM 9620 OH2 TIP3 1104 -32.277 -14.562 -25.023 1.00 0.00 WAT +ATOM 9621 H1 TIP3 1104 -31.370 -14.727 -25.309 1.00 0.00 WAT +ATOM 9622 H2 TIP3 1104 -32.465 -15.359 -24.499 1.00 0.00 WAT +ATOM 9623 OH2 TIP3 1105 -36.899 -19.937 -27.406 1.00 0.00 WAT +ATOM 9624 H1 TIP3 1105 -36.841 -20.593 -28.123 1.00 0.00 WAT +ATOM 9625 H2 TIP3 1105 -37.122 -19.125 -27.895 1.00 0.00 WAT +ATOM 9626 OH2 TIP3 1106 -36.559 -21.458 -29.972 1.00 0.00 WAT +ATOM 9627 H1 TIP3 1106 -36.076 -20.929 -30.626 1.00 0.00 WAT +ATOM 9628 H2 TIP3 1106 -37.482 -21.442 -30.308 1.00 0.00 WAT +ATOM 9629 OH2 TIP3 1107 -35.006 -16.011 -29.570 1.00 0.00 WAT +ATOM 9630 H1 TIP3 1107 -34.176 -16.071 -30.060 1.00 0.00 WAT +ATOM 9631 H2 TIP3 1107 -35.356 -15.153 -29.883 1.00 0.00 WAT +ATOM 9632 OH2 TIP3 1108 -30.418 -18.259 -24.854 1.00 0.00 WAT +ATOM 9633 H1 TIP3 1108 -30.280 -19.179 -24.588 1.00 0.00 WAT +ATOM 9634 H2 TIP3 1108 -29.584 -17.863 -24.562 1.00 0.00 WAT +ATOM 9635 OH2 TIP3 1109 -29.568 -15.116 -26.567 1.00 0.00 WAT +ATOM 9636 H1 TIP3 1109 -29.743 -14.354 -27.122 1.00 0.00 WAT +ATOM 9637 H2 TIP3 1109 -28.621 -15.286 -26.748 1.00 0.00 WAT +ATOM 9638 OH2 TIP3 1110 -38.813 -18.048 -25.645 1.00 0.00 WAT +ATOM 9639 H1 TIP3 1110 -39.301 -18.891 -25.655 1.00 0.00 WAT +ATOM 9640 H2 TIP3 1110 -37.974 -18.295 -26.061 1.00 0.00 WAT +ATOM 9641 OH2 TIP3 1111 -36.036 -24.197 -29.618 1.00 0.00 WAT +ATOM 9642 H1 TIP3 1111 -36.082 -23.248 -29.763 1.00 0.00 WAT +ATOM 9643 H2 TIP3 1111 -36.707 -24.566 -30.236 1.00 0.00 WAT +ATOM 9644 OH2 TIP3 1112 -34.563 -19.560 -25.840 1.00 0.00 WAT +ATOM 9645 H1 TIP3 1112 -34.861 -19.778 -24.938 1.00 0.00 WAT +ATOM 9646 H2 TIP3 1112 -35.383 -19.763 -26.335 1.00 0.00 WAT +ATOM 9647 OH2 TIP3 1113 -32.017 -20.636 -26.925 1.00 0.00 WAT +ATOM 9648 H1 TIP3 1113 -32.891 -20.487 -26.521 1.00 0.00 WAT +ATOM 9649 H2 TIP3 1113 -31.544 -21.048 -26.176 1.00 0.00 WAT +ATOM 9650 OH2 TIP3 1114 -30.296 -21.653 -24.626 1.00 0.00 WAT +ATOM 9651 H1 TIP3 1114 -30.406 -22.620 -24.689 1.00 0.00 WAT +ATOM 9652 H2 TIP3 1114 -30.656 -21.464 -23.746 1.00 0.00 WAT +ATOM 9653 OH2 TIP3 1115 -40.166 -20.588 -25.794 1.00 0.00 WAT +ATOM 9654 H1 TIP3 1115 -40.158 -21.320 -26.431 1.00 0.00 WAT +ATOM 9655 H2 TIP3 1115 -40.319 -21.055 -24.950 1.00 0.00 WAT +ATOM 9656 OH2 TIP3 1116 -36.005 -24.625 -26.773 1.00 0.00 WAT +ATOM 9657 H1 TIP3 1116 -35.406 -25.389 -26.732 1.00 0.00 WAT +ATOM 9658 H2 TIP3 1116 -36.000 -24.462 -27.738 1.00 0.00 WAT +ATOM 9659 OH2 TIP3 1117 -35.004 -22.757 -24.907 1.00 0.00 WAT +ATOM 9660 H1 TIP3 1117 -35.325 -23.353 -25.614 1.00 0.00 WAT +ATOM 9661 H2 TIP3 1117 -35.700 -22.083 -24.862 1.00 0.00 WAT +ATOM 9662 OH2 TIP3 1118 -35.942 -5.730 -41.723 1.00 0.00 WAT +ATOM 9663 H1 TIP3 1118 -34.990 -5.596 -41.603 1.00 0.00 WAT +ATOM 9664 H2 TIP3 1118 -36.164 -5.125 -42.448 1.00 0.00 WAT +ATOM 9665 OH2 TIP3 1119 -41.867 -11.612 -41.928 1.00 0.00 WAT +ATOM 9666 H1 TIP3 1119 -41.050 -11.089 -41.793 1.00 0.00 WAT +ATOM 9667 H2 TIP3 1119 -41.886 -11.727 -42.880 1.00 0.00 WAT +ATOM 9668 OH2 TIP3 1120 -42.718 -8.012 -35.215 1.00 0.00 WAT +ATOM 9669 H1 TIP3 1120 -42.752 -8.926 -34.878 1.00 0.00 WAT +ATOM 9670 H2 TIP3 1120 -42.453 -7.552 -34.409 1.00 0.00 WAT +ATOM 9671 OH2 TIP3 1121 -25.133 -6.930 -32.227 1.00 0.00 WAT +ATOM 9672 H1 TIP3 1121 -25.062 -6.876 -31.261 1.00 0.00 WAT +ATOM 9673 H2 TIP3 1121 -24.294 -6.535 -32.500 1.00 0.00 WAT +ATOM 9674 OH2 TIP3 1122 -25.493 -7.642 -29.419 1.00 0.00 WAT +ATOM 9675 H1 TIP3 1122 -25.952 -8.429 -29.726 1.00 0.00 WAT +ATOM 9676 H2 TIP3 1122 -24.865 -8.014 -28.780 1.00 0.00 WAT +ATOM 9677 OH2 TIP3 1123 -27.429 -11.860 -25.211 1.00 0.00 WAT +ATOM 9678 H1 TIP3 1123 -28.199 -11.908 -24.610 1.00 0.00 WAT +ATOM 9679 H2 TIP3 1123 -26.863 -11.213 -24.753 1.00 0.00 WAT +ATOM 9680 OH2 TIP3 1124 -25.863 -13.155 -39.303 1.00 0.00 WAT +ATOM 9681 H1 TIP3 1124 -24.965 -12.795 -39.169 1.00 0.00 WAT +ATOM 9682 H2 TIP3 1124 -25.902 -13.789 -38.562 1.00 0.00 WAT +ATOM 9683 OH2 TIP3 1125 -25.409 -15.149 -37.318 1.00 0.00 WAT +ATOM 9684 H1 TIP3 1125 -26.069 -15.708 -36.866 1.00 0.00 WAT +ATOM 9685 H2 TIP3 1125 -24.718 -15.018 -36.638 1.00 0.00 WAT +ATOM 9686 OH2 TIP3 1126 -25.663 -12.645 -32.351 1.00 0.00 WAT +ATOM 9687 H1 TIP3 1126 -25.049 -13.144 -32.912 1.00 0.00 WAT +ATOM 9688 H2 TIP3 1126 -25.529 -11.737 -32.673 1.00 0.00 WAT +ATOM 9689 OH2 TIP3 1127 -25.145 -15.495 -41.071 1.00 0.00 WAT +ATOM 9690 H1 TIP3 1127 -25.740 -15.168 -41.763 1.00 0.00 WAT +ATOM 9691 H2 TIP3 1127 -25.299 -14.824 -40.385 1.00 0.00 WAT +ATOM 9692 OH2 TIP3 1128 -26.937 -18.098 -42.156 1.00 0.00 WAT +ATOM 9693 H1 TIP3 1128 -26.604 -17.307 -42.614 1.00 0.00 WAT +ATOM 9694 H2 TIP3 1128 -26.421 -18.798 -42.570 1.00 0.00 WAT +ATOM 9695 OH2 TIP3 1129 -27.502 -17.002 -36.510 1.00 0.00 WAT +ATOM 9696 H1 TIP3 1129 -27.538 -17.963 -36.643 1.00 0.00 WAT +ATOM 9697 H2 TIP3 1129 -27.847 -16.905 -35.600 1.00 0.00 WAT +ATOM 9698 OH2 TIP3 1130 -42.568 -14.511 -32.558 1.00 0.00 WAT +ATOM 9699 H1 TIP3 1130 -42.200 -14.264 -33.417 1.00 0.00 WAT +ATOM 9700 H2 TIP3 1130 -41.783 -14.927 -32.139 1.00 0.00 WAT +ATOM 9701 OH2 TIP3 1131 -26.894 -14.994 -27.340 1.00 0.00 WAT +ATOM 9702 H1 TIP3 1131 -26.285 -15.750 -27.210 1.00 0.00 WAT +ATOM 9703 H2 TIP3 1131 -26.261 -14.286 -27.509 1.00 0.00 WAT +ATOM 9704 OH2 TIP3 1132 -25.292 -16.932 -26.273 1.00 0.00 WAT +ATOM 9705 H1 TIP3 1132 -26.066 -17.512 -26.444 1.00 0.00 WAT +ATOM 9706 H2 TIP3 1132 -24.577 -17.594 -26.202 1.00 0.00 WAT +ATOM 9707 OH2 TIP3 1133 -27.655 -21.452 -43.357 1.00 0.00 WAT +ATOM 9708 H1 TIP3 1133 -26.994 -21.488 -42.652 1.00 0.00 WAT +ATOM 9709 H2 TIP3 1133 -28.503 -21.607 -42.923 1.00 0.00 WAT +ATOM 9710 OH2 TIP3 1134 -27.680 -19.468 -38.378 1.00 0.00 WAT +ATOM 9711 H1 TIP3 1134 -27.393 -20.405 -38.281 1.00 0.00 WAT +ATOM 9712 H2 TIP3 1134 -26.862 -19.072 -38.719 1.00 0.00 WAT +ATOM 9713 OH2 TIP3 1135 -27.370 -18.873 -32.893 1.00 0.00 WAT +ATOM 9714 H1 TIP3 1135 -26.396 -18.775 -32.914 1.00 0.00 WAT +ATOM 9715 H2 TIP3 1135 -27.508 -18.861 -31.929 1.00 0.00 WAT +ATOM 9716 OH2 TIP3 1136 -27.202 -18.202 -30.102 1.00 0.00 WAT +ATOM 9717 H1 TIP3 1136 -28.048 -17.821 -29.802 1.00 0.00 WAT +ATOM 9718 H2 TIP3 1136 -26.680 -17.400 -30.300 1.00 0.00 WAT +ATOM 9719 OH2 TIP3 1137 -42.849 -19.591 -26.501 1.00 0.00 WAT +ATOM 9720 H1 TIP3 1137 -41.949 -19.945 -26.421 1.00 0.00 WAT +ATOM 9721 H2 TIP3 1137 -43.421 -20.327 -26.244 1.00 0.00 WAT +ATOM 9722 OH2 TIP3 1138 -24.640 -24.028 -24.790 1.00 0.00 WAT +ATOM 9723 H1 TIP3 1138 -24.240 -24.731 -25.333 1.00 0.00 WAT +ATOM 9724 H2 TIP3 1138 -24.591 -23.256 -25.384 1.00 0.00 WAT +ATOM 9725 OH2 TIP3 1139 -27.147 -22.186 -38.293 1.00 0.00 WAT +ATOM 9726 H1 TIP3 1139 -26.916 -22.596 -37.433 1.00 0.00 WAT +ATOM 9727 H2 TIP3 1139 -27.871 -22.769 -38.595 1.00 0.00 WAT +ATOM 9728 OH2 TIP3 1140 -41.943 -20.992 -33.335 1.00 0.00 WAT +ATOM 9729 H1 TIP3 1140 -41.606 -21.898 -33.299 1.00 0.00 WAT +ATOM 9730 H2 TIP3 1140 -41.158 -20.463 -33.106 1.00 0.00 WAT +ATOM 9731 OH2 TIP3 1141 -43.316 -18.398 -32.441 1.00 0.00 WAT +ATOM 9732 H1 TIP3 1141 -42.926 -18.858 -33.197 1.00 0.00 WAT +ATOM 9733 H2 TIP3 1141 -43.287 -17.474 -32.725 1.00 0.00 WAT +ATOM 9734 OH2 TIP3 1142 -25.158 -22.005 -26.629 1.00 0.00 WAT +ATOM 9735 H1 TIP3 1142 -26.028 -21.637 -26.373 1.00 0.00 WAT +ATOM 9736 H2 TIP3 1142 -25.409 -22.556 -27.394 1.00 0.00 WAT +ATOM 9737 OH2 TIP3 1143 -25.132 -21.813 -41.796 1.00 0.00 WAT +ATOM 9738 H1 TIP3 1143 -24.846 -22.572 -42.319 1.00 0.00 WAT +ATOM 9739 H2 TIP3 1143 -24.285 -21.346 -41.688 1.00 0.00 WAT +ATOM 9740 OH2 TIP3 1144 -43.156 -22.258 -38.945 1.00 0.00 WAT +ATOM 9741 H1 TIP3 1144 -44.012 -21.991 -39.315 1.00 0.00 WAT +ATOM 9742 H2 TIP3 1144 -42.578 -21.579 -39.364 1.00 0.00 WAT +ATOM 9743 OH2 TIP3 1145 -28.298 -6.869 -36.426 1.00 0.00 WAT +ATOM 9744 H1 TIP3 1145 -27.756 -7.094 -37.198 1.00 0.00 WAT +ATOM 9745 H2 TIP3 1145 -27.663 -6.422 -35.850 1.00 0.00 WAT +ATOM 9746 OH2 TIP3 1146 -42.919 -23.320 -30.585 1.00 0.00 WAT +ATOM 9747 H1 TIP3 1146 -43.592 -23.390 -29.867 1.00 0.00 WAT +ATOM 9748 H2 TIP3 1146 -43.356 -22.804 -31.278 1.00 0.00 WAT +ATOM 9749 OH2 TIP3 1147 -38.084 -9.099 -30.209 1.00 0.00 WAT +ATOM 9750 H1 TIP3 1147 -38.301 -8.174 -30.404 1.00 0.00 WAT +ATOM 9751 H2 TIP3 1147 -37.134 -9.025 -30.030 1.00 0.00 WAT +ATOM 9752 OH2 TIP3 1148 -33.455 -7.877 -27.031 1.00 0.00 WAT +ATOM 9753 H1 TIP3 1148 -33.437 -7.969 -26.065 1.00 0.00 WAT +ATOM 9754 H2 TIP3 1148 -32.659 -7.338 -27.204 1.00 0.00 WAT +ATOM 9755 OH2 TIP3 1149 -31.160 -6.417 -27.791 1.00 0.00 WAT +ATOM 9756 H1 TIP3 1149 -30.491 -7.104 -27.887 1.00 0.00 WAT +ATOM 9757 H2 TIP3 1149 -30.898 -6.021 -26.936 1.00 0.00 WAT +ATOM 9758 OH2 TIP3 1150 -26.391 -23.765 -28.583 1.00 0.00 WAT +ATOM 9759 H1 TIP3 1150 -27.215 -23.594 -29.070 1.00 0.00 WAT +ATOM 9760 H2 TIP3 1150 -26.172 -24.670 -28.888 1.00 0.00 WAT +ATOM 9761 OH2 TIP3 1151 -40.760 -5.604 -29.352 1.00 0.00 WAT +ATOM 9762 H1 TIP3 1151 -41.373 -5.544 -30.103 1.00 0.00 WAT +ATOM 9763 H2 TIP3 1151 -41.053 -6.400 -28.895 1.00 0.00 WAT +ATOM 9764 OH2 TIP3 1152 -38.188 -6.352 -31.113 1.00 0.00 WAT +ATOM 9765 H1 TIP3 1152 -39.006 -6.118 -30.652 1.00 0.00 WAT +ATOM 9766 H2 TIP3 1152 -38.153 -5.690 -31.827 1.00 0.00 WAT +ATOM 9767 OH2 TIP3 1153 -33.378 -6.398 -31.564 1.00 0.00 WAT +ATOM 9768 H1 TIP3 1153 -33.790 -5.932 -32.313 1.00 0.00 WAT +ATOM 9769 H2 TIP3 1153 -33.316 -5.674 -30.906 1.00 0.00 WAT +ATOM 9770 OH2 TIP3 1154 -31.074 -7.725 -30.623 1.00 0.00 WAT +ATOM 9771 H1 TIP3 1154 -31.923 -7.340 -30.926 1.00 0.00 WAT +ATOM 9772 H2 TIP3 1154 -30.523 -6.923 -30.616 1.00 0.00 WAT +ATOM 9773 OH2 TIP3 1155 -28.542 -5.976 -30.430 1.00 0.00 WAT +ATOM 9774 H1 TIP3 1155 -28.582 -5.009 -30.578 1.00 0.00 WAT +ATOM 9775 H2 TIP3 1155 -28.266 -6.275 -31.311 1.00 0.00 WAT +ATOM 9776 OH2 TIP3 1156 -41.161 -7.263 -32.668 1.00 0.00 WAT +ATOM 9777 H1 TIP3 1156 -41.321 -7.826 -31.883 1.00 0.00 WAT +ATOM 9778 H2 TIP3 1156 -40.494 -7.797 -33.137 1.00 0.00 WAT +ATOM 9779 OH2 TIP3 1157 -39.094 -8.619 -34.256 1.00 0.00 WAT +ATOM 9780 H1 TIP3 1157 -39.274 -9.533 -33.944 1.00 0.00 WAT +ATOM 9781 H2 TIP3 1157 -38.213 -8.458 -33.872 1.00 0.00 WAT +ATOM 9782 OH2 TIP3 1158 -36.270 -8.158 -33.388 1.00 0.00 WAT +ATOM 9783 H1 TIP3 1158 -36.150 -9.102 -33.599 1.00 0.00 WAT +ATOM 9784 H2 TIP3 1158 -36.251 -8.201 -32.417 1.00 0.00 WAT +ATOM 9785 OH2 TIP3 1159 -32.951 -22.261 -34.390 1.00 0.00 WAT +ATOM 9786 H1 TIP3 1159 -33.507 -22.908 -33.941 1.00 0.00 WAT +ATOM 9787 H2 TIP3 1159 -32.194 -22.798 -34.685 1.00 0.00 WAT +ATOM 9788 OH2 TIP3 1160 -28.016 -24.213 -33.616 1.00 0.00 WAT +ATOM 9789 H1 TIP3 1160 -27.216 -23.857 -34.038 1.00 0.00 WAT +ATOM 9790 H2 TIP3 1160 -28.738 -23.814 -34.134 1.00 0.00 WAT +ATOM 9791 OH2 TIP3 1161 -25.960 -23.046 -35.773 1.00 0.00 WAT +ATOM 9792 H1 TIP3 1161 -25.268 -23.570 -36.209 1.00 0.00 WAT +ATOM 9793 H2 TIP3 1161 -25.536 -22.166 -35.701 1.00 0.00 WAT +ATOM 9794 OH2 TIP3 1162 -41.008 -23.676 -36.608 1.00 0.00 WAT +ATOM 9795 H1 TIP3 1162 -41.798 -23.942 -37.098 1.00 0.00 WAT +ATOM 9796 H2 TIP3 1162 -40.470 -24.486 -36.646 1.00 0.00 WAT +ATOM 9797 OH2 TIP3 1163 -41.771 -23.999 -40.812 1.00 0.00 WAT +ATOM 9798 H1 TIP3 1163 -41.336 -23.300 -41.339 1.00 0.00 WAT +ATOM 9799 H2 TIP3 1163 -42.301 -23.463 -40.195 1.00 0.00 WAT +ATOM 9800 OH2 TIP3 1164 -30.466 -23.683 -35.203 1.00 0.00 WAT +ATOM 9801 H1 TIP3 1164 -30.416 -23.684 -36.178 1.00 0.00 WAT +ATOM 9802 H2 TIP3 1164 -30.739 -24.576 -34.981 1.00 0.00 WAT +ATOM 9803 OH2 TIP3 1165 -29.430 -23.647 -39.247 1.00 0.00 WAT +ATOM 9804 H1 TIP3 1165 -30.226 -23.130 -39.455 1.00 0.00 WAT +ATOM 9805 H2 TIP3 1165 -29.735 -24.558 -39.326 1.00 0.00 WAT +ATOM 9806 OH2 TIP3 1166 -41.779 -8.043 -39.924 1.00 0.00 WAT +ATOM 9807 H1 TIP3 1166 -42.657 -8.254 -40.269 1.00 0.00 WAT +ATOM 9808 H2 TIP3 1166 -41.860 -7.107 -39.712 1.00 0.00 WAT +ATOM 9809 OH2 TIP3 1167 -40.011 -22.193 -42.330 1.00 0.00 WAT +ATOM 9810 H1 TIP3 1167 -39.499 -22.898 -42.745 1.00 0.00 WAT +ATOM 9811 H2 TIP3 1167 -39.393 -21.843 -41.670 1.00 0.00 WAT +ATOM 9812 OH2 TIP3 1168 -32.976 -6.465 -41.463 1.00 0.00 WAT +ATOM 9813 H1 TIP3 1168 -32.002 -6.337 -41.500 1.00 0.00 WAT +ATOM 9814 H2 TIP3 1168 -33.081 -7.078 -42.214 1.00 0.00 WAT +ATOM 9815 OH2 TIP3 1169 -26.332 -7.273 -38.851 1.00 0.00 WAT +ATOM 9816 H1 TIP3 1169 -26.657 -8.099 -39.267 1.00 0.00 WAT +ATOM 9817 H2 TIP3 1169 -26.576 -6.603 -39.522 1.00 0.00 WAT +ATOM 9818 OH2 TIP3 1170 -40.787 -23.297 -27.030 1.00 0.00 WAT +ATOM 9819 H1 TIP3 1170 -41.245 -24.052 -26.625 1.00 0.00 WAT +ATOM 9820 H2 TIP3 1170 -39.876 -23.448 -26.723 1.00 0.00 WAT +ATOM 9821 OH2 TIP3 1171 -38.449 -23.922 -25.271 1.00 0.00 WAT +ATOM 9822 H1 TIP3 1171 -37.618 -24.264 -25.663 1.00 0.00 WAT +ATOM 9823 H2 TIP3 1171 -38.776 -24.719 -24.818 1.00 0.00 WAT +ATOM 9824 OH2 TIP3 1172 -39.799 -7.026 -42.447 1.00 0.00 WAT +ATOM 9825 H1 TIP3 1172 -40.203 -6.787 -41.602 1.00 0.00 WAT +ATOM 9826 H2 TIP3 1172 -39.175 -7.717 -42.198 1.00 0.00 WAT +ATOM 9827 OH2 TIP3 1173 -30.310 -24.601 -25.089 1.00 0.00 WAT +ATOM 9828 H1 TIP3 1173 -30.288 -25.068 -24.232 1.00 0.00 WAT +ATOM 9829 H2 TIP3 1173 -29.369 -24.642 -25.347 1.00 0.00 WAT +ATOM 9830 OH2 TIP3 1174 -26.927 -8.489 -26.492 1.00 0.00 WAT +ATOM 9831 H1 TIP3 1174 -27.784 -8.588 -26.919 1.00 0.00 WAT +ATOM 9832 H2 TIP3 1174 -26.992 -7.554 -26.191 1.00 0.00 WAT +ATOM 9833 OH2 TIP3 1175 -12.737 -14.819 -36.285 1.00 0.00 WAT +ATOM 9834 H1 TIP3 1175 -12.755 -13.859 -36.144 1.00 0.00 WAT +ATOM 9835 H2 TIP3 1175 -13.515 -14.949 -36.844 1.00 0.00 WAT +ATOM 9836 OH2 TIP3 1176 -13.901 -15.366 -33.204 1.00 0.00 WAT +ATOM 9837 H1 TIP3 1176 -13.905 -15.918 -32.405 1.00 0.00 WAT +ATOM 9838 H2 TIP3 1176 -14.171 -16.004 -33.881 1.00 0.00 WAT +ATOM 9839 OH2 TIP3 1177 -21.417 -15.784 -31.524 1.00 0.00 WAT +ATOM 9840 H1 TIP3 1177 -21.429 -16.538 -30.905 1.00 0.00 WAT +ATOM 9841 H2 TIP3 1177 -20.706 -15.247 -31.144 1.00 0.00 WAT +ATOM 9842 OH2 TIP3 1178 -10.217 -12.616 -34.882 1.00 0.00 WAT +ATOM 9843 H1 TIP3 1178 -10.584 -13.337 -34.352 1.00 0.00 WAT +ATOM 9844 H2 TIP3 1178 -9.926 -12.008 -34.188 1.00 0.00 WAT +ATOM 9845 OH2 TIP3 1179 -20.766 -11.137 -33.045 1.00 0.00 WAT +ATOM 9846 H1 TIP3 1179 -21.000 -12.059 -33.286 1.00 0.00 WAT +ATOM 9847 H2 TIP3 1179 -19.840 -11.264 -32.792 1.00 0.00 WAT +ATOM 9848 OH2 TIP3 1180 -23.763 -17.738 -37.632 1.00 0.00 WAT +ATOM 9849 H1 TIP3 1180 -24.172 -16.865 -37.527 1.00 0.00 WAT +ATOM 9850 H2 TIP3 1180 -24.464 -18.234 -38.076 1.00 0.00 WAT +ATOM 9851 OH2 TIP3 1181 -22.967 -15.291 -35.788 1.00 0.00 WAT +ATOM 9852 H1 TIP3 1181 -22.815 -16.122 -35.296 1.00 0.00 WAT +ATOM 9853 H2 TIP3 1181 -22.123 -15.185 -36.247 1.00 0.00 WAT +ATOM 9854 OH2 TIP3 1182 -13.146 -7.261 -34.320 1.00 0.00 WAT +ATOM 9855 H1 TIP3 1182 -12.570 -7.987 -34.627 1.00 0.00 WAT +ATOM 9856 H2 TIP3 1182 -13.428 -7.584 -33.454 1.00 0.00 WAT +ATOM 9857 OH2 TIP3 1183 -15.405 -12.856 -32.644 1.00 0.00 WAT +ATOM 9858 H1 TIP3 1183 -15.076 -13.588 -33.195 1.00 0.00 WAT +ATOM 9859 H2 TIP3 1183 -14.600 -12.701 -32.111 1.00 0.00 WAT +ATOM 9860 OH2 TIP3 1184 -6.735 -21.346 -31.994 1.00 0.00 WAT +ATOM 9861 H1 TIP3 1184 -6.499 -20.728 -31.281 1.00 0.00 WAT +ATOM 9862 H2 TIP3 1184 -6.127 -21.052 -32.697 1.00 0.00 WAT +ATOM 9863 OH2 TIP3 1185 -12.098 -18.522 -32.127 1.00 0.00 WAT +ATOM 9864 H1 TIP3 1185 -11.974 -19.484 -32.063 1.00 0.00 WAT +ATOM 9865 H2 TIP3 1185 -12.199 -18.407 -33.085 1.00 0.00 WAT +ATOM 9866 OH2 TIP3 1186 -19.140 -20.517 -35.047 1.00 0.00 WAT +ATOM 9867 H1 TIP3 1186 -18.994 -19.665 -35.502 1.00 0.00 WAT +ATOM 9868 H2 TIP3 1186 -19.488 -21.045 -35.790 1.00 0.00 WAT +ATOM 9869 OH2 TIP3 1187 -11.303 -20.355 -36.740 1.00 0.00 WAT +ATOM 9870 H1 TIP3 1187 -10.728 -20.797 -36.079 1.00 0.00 WAT +ATOM 9871 H2 TIP3 1187 -10.639 -19.922 -37.296 1.00 0.00 WAT +ATOM 9872 OH2 TIP3 1188 -22.445 -17.783 -34.537 1.00 0.00 WAT +ATOM 9873 H1 TIP3 1188 -21.815 -18.256 -33.967 1.00 0.00 WAT +ATOM 9874 H2 TIP3 1188 -22.356 -18.276 -35.372 1.00 0.00 WAT +ATOM 9875 OH2 TIP3 1189 -17.063 -16.395 -35.087 1.00 0.00 WAT +ATOM 9876 H1 TIP3 1189 -16.361 -16.945 -34.688 1.00 0.00 WAT +ATOM 9877 H2 TIP3 1189 -17.568 -17.065 -35.585 1.00 0.00 WAT +ATOM 9878 OH2 TIP3 1190 -6.015 -19.974 -29.515 1.00 0.00 WAT +ATOM 9879 H1 TIP3 1190 -6.601 -19.251 -29.801 1.00 0.00 WAT +ATOM 9880 H2 TIP3 1190 -6.198 -19.983 -28.565 1.00 0.00 WAT +ATOM 9881 OH2 TIP3 1191 -20.326 -21.723 -30.893 1.00 0.00 WAT +ATOM 9882 H1 TIP3 1191 -20.749 -21.221 -31.605 1.00 0.00 WAT +ATOM 9883 H2 TIP3 1191 -20.983 -21.605 -30.176 1.00 0.00 WAT +ATOM 9884 OH2 TIP3 1192 -12.811 -11.935 -37.520 1.00 0.00 WAT +ATOM 9885 H1 TIP3 1192 -13.200 -12.208 -38.354 1.00 0.00 WAT +ATOM 9886 H2 TIP3 1192 -13.293 -11.114 -37.318 1.00 0.00 WAT +ATOM 9887 OH2 TIP3 1193 -17.402 -13.840 -30.770 1.00 0.00 WAT +ATOM 9888 H1 TIP3 1193 -18.141 -13.247 -30.513 1.00 0.00 WAT +ATOM 9889 H2 TIP3 1193 -16.780 -13.223 -31.195 1.00 0.00 WAT +ATOM 9890 OH2 TIP3 1194 -9.449 -21.104 -34.700 1.00 0.00 WAT +ATOM 9891 H1 TIP3 1194 -9.866 -21.689 -34.055 1.00 0.00 WAT +ATOM 9892 H2 TIP3 1194 -8.941 -20.504 -34.127 1.00 0.00 WAT +ATOM 9893 OH2 TIP3 1195 -20.744 -19.665 -32.957 1.00 0.00 WAT +ATOM 9894 H1 TIP3 1195 -20.092 -19.106 -32.481 1.00 0.00 WAT +ATOM 9895 H2 TIP3 1195 -20.165 -20.044 -33.655 1.00 0.00 WAT +ATOM 9896 OH2 TIP3 1196 -19.429 -11.974 -30.059 1.00 0.00 WAT +ATOM 9897 H1 TIP3 1196 -19.453 -11.038 -30.333 1.00 0.00 WAT +ATOM 9898 H2 TIP3 1196 -20.281 -12.037 -29.588 1.00 0.00 WAT +ATOM 9899 OH2 TIP3 1197 -23.117 -12.263 -39.186 1.00 0.00 WAT +ATOM 9900 H1 TIP3 1197 -23.304 -11.819 -40.035 1.00 0.00 WAT +ATOM 9901 H2 TIP3 1197 -22.947 -11.523 -38.568 1.00 0.00 WAT +ATOM 9902 OH2 TIP3 1198 -9.658 -10.826 -32.400 1.00 0.00 WAT +ATOM 9903 H1 TIP3 1198 -10.626 -10.697 -32.358 1.00 0.00 WAT +ATOM 9904 H2 TIP3 1198 -9.377 -9.961 -32.750 1.00 0.00 WAT +ATOM 9905 OH2 TIP3 1199 -9.326 -21.946 -30.849 1.00 0.00 WAT +ATOM 9906 H1 TIP3 1199 -10.099 -21.559 -31.302 1.00 0.00 WAT +ATOM 9907 H2 TIP3 1199 -8.605 -21.760 -31.479 1.00 0.00 WAT +ATOM 9908 OH2 TIP3 1200 -16.192 -24.234 -33.797 1.00 0.00 WAT +ATOM 9909 H1 TIP3 1200 -16.424 -25.180 -33.848 1.00 0.00 WAT +ATOM 9910 H2 TIP3 1200 -17.015 -23.850 -33.426 1.00 0.00 WAT +ATOM 9911 OH2 TIP3 1201 -11.362 -8.875 -35.832 1.00 0.00 WAT +ATOM 9912 H1 TIP3 1201 -10.879 -9.672 -36.125 1.00 0.00 WAT +ATOM 9913 H2 TIP3 1201 -10.675 -8.189 -35.921 1.00 0.00 WAT +ATOM 9914 OH2 TIP3 1202 -9.889 -11.012 -37.219 1.00 0.00 WAT +ATOM 9915 H1 TIP3 1202 -10.437 -11.479 -37.865 1.00 0.00 WAT +ATOM 9916 H2 TIP3 1202 -9.936 -11.628 -36.462 1.00 0.00 WAT +ATOM 9917 OH2 TIP3 1203 -8.354 -12.191 -28.704 1.00 0.00 WAT +ATOM 9918 H1 TIP3 1203 -8.463 -12.838 -29.425 1.00 0.00 WAT +ATOM 9919 H2 TIP3 1203 -8.240 -11.356 -29.196 1.00 0.00 WAT +ATOM 9920 OH2 TIP3 1204 -14.059 -15.308 -39.047 1.00 0.00 WAT +ATOM 9921 H1 TIP3 1204 -14.734 -14.700 -39.402 1.00 0.00 WAT +ATOM 9922 H2 TIP3 1204 -13.344 -15.225 -39.696 1.00 0.00 WAT +ATOM 9923 OH2 TIP3 1205 -13.890 -17.057 -42.074 1.00 0.00 WAT +ATOM 9924 H1 TIP3 1205 -13.214 -16.764 -41.441 1.00 0.00 WAT +ATOM 9925 H2 TIP3 1205 -13.353 -17.674 -42.619 1.00 0.00 WAT +ATOM 9926 OH2 TIP3 1206 -6.601 -16.021 -30.761 1.00 0.00 WAT +ATOM 9927 H1 TIP3 1206 -7.322 -15.366 -30.679 1.00 0.00 WAT +ATOM 9928 H2 TIP3 1206 -6.121 -15.673 -31.538 1.00 0.00 WAT +ATOM 9929 OH2 TIP3 1207 -10.582 -15.288 -37.947 1.00 0.00 WAT +ATOM 9930 H1 TIP3 1207 -11.274 -15.087 -37.275 1.00 0.00 WAT +ATOM 9931 H2 TIP3 1207 -9.988 -15.858 -37.424 1.00 0.00 WAT +ATOM 9932 OH2 TIP3 1208 -10.746 -16.751 -29.094 1.00 0.00 WAT +ATOM 9933 H1 TIP3 1208 -10.689 -15.927 -28.582 1.00 0.00 WAT +ATOM 9934 H2 TIP3 1208 -11.397 -16.465 -29.760 1.00 0.00 WAT +ATOM 9935 OH2 TIP3 1209 -18.988 -14.518 -36.161 1.00 0.00 WAT +ATOM 9936 H1 TIP3 1209 -19.295 -14.959 -36.976 1.00 0.00 WAT +ATOM 9937 H2 TIP3 1209 -18.344 -15.161 -35.815 1.00 0.00 WAT +ATOM 9938 OH2 TIP3 1210 -17.617 -11.102 -33.431 1.00 0.00 WAT +ATOM 9939 H1 TIP3 1210 -17.728 -11.523 -34.293 1.00 0.00 WAT +ATOM 9940 H2 TIP3 1210 -16.833 -11.571 -33.084 1.00 0.00 WAT +ATOM 9941 OH2 TIP3 1211 -18.407 -15.697 -32.674 1.00 0.00 WAT +ATOM 9942 H1 TIP3 1211 -17.821 -15.675 -33.454 1.00 0.00 WAT +ATOM 9943 H2 TIP3 1211 -17.998 -15.040 -32.079 1.00 0.00 WAT +ATOM 9944 OH2 TIP3 1212 -12.449 -10.196 -32.095 1.00 0.00 WAT +ATOM 9945 H1 TIP3 1212 -12.436 -9.520 -31.395 1.00 0.00 WAT +ATOM 9946 H2 TIP3 1212 -12.684 -11.011 -31.617 1.00 0.00 WAT +ATOM 9947 OH2 TIP3 1213 -17.558 -11.389 -27.839 1.00 0.00 WAT +ATOM 9948 H1 TIP3 1213 -18.063 -10.726 -27.334 1.00 0.00 WAT +ATOM 9949 H2 TIP3 1213 -18.207 -11.648 -28.518 1.00 0.00 WAT +ATOM 9950 OH2 TIP3 1214 -11.510 -15.815 -40.570 1.00 0.00 WAT +ATOM 9951 H1 TIP3 1214 -11.091 -15.572 -39.717 1.00 0.00 WAT +ATOM 9952 H2 TIP3 1214 -10.887 -15.412 -41.206 1.00 0.00 WAT +ATOM 9953 OH2 TIP3 1215 -20.635 -14.956 -28.734 1.00 0.00 WAT +ATOM 9954 H1 TIP3 1215 -20.581 -14.417 -27.923 1.00 0.00 WAT +ATOM 9955 H2 TIP3 1215 -21.587 -15.144 -28.780 1.00 0.00 WAT +ATOM 9956 OH2 TIP3 1216 -14.176 -9.232 -36.962 1.00 0.00 WAT +ATOM 9957 H1 TIP3 1216 -13.683 -8.982 -36.171 1.00 0.00 WAT +ATOM 9958 H2 TIP3 1216 -14.653 -8.419 -37.184 1.00 0.00 WAT +ATOM 9959 OH2 TIP3 1217 -19.451 -9.215 -27.019 1.00 0.00 WAT +ATOM 9960 H1 TIP3 1217 -19.578 -9.171 -27.982 1.00 0.00 WAT +ATOM 9961 H2 TIP3 1217 -20.332 -9.471 -26.687 1.00 0.00 WAT +ATOM 9962 OH2 TIP3 1218 -8.111 -24.159 -40.567 1.00 0.00 WAT +ATOM 9963 H1 TIP3 1218 -9.076 -24.076 -40.473 1.00 0.00 WAT +ATOM 9964 H2 TIP3 1218 -7.900 -23.361 -41.070 1.00 0.00 WAT +ATOM 9965 OH2 TIP3 1219 -20.062 -15.767 -38.621 1.00 0.00 WAT +ATOM 9966 H1 TIP3 1219 -20.297 -15.020 -39.200 1.00 0.00 WAT +ATOM 9967 H2 TIP3 1219 -20.718 -16.429 -38.875 1.00 0.00 WAT +ATOM 9968 OH2 TIP3 1220 -7.006 -9.823 -42.560 1.00 0.00 WAT +ATOM 9969 H1 TIP3 1220 -6.719 -9.059 -42.034 1.00 0.00 WAT +ATOM 9970 H2 TIP3 1220 -6.302 -10.477 -42.391 1.00 0.00 WAT +ATOM 9971 OH2 TIP3 1221 -24.047 -13.115 -29.906 1.00 0.00 WAT +ATOM 9972 H1 TIP3 1221 -24.422 -13.143 -30.809 1.00 0.00 WAT +ATOM 9973 H2 TIP3 1221 -23.847 -14.057 -29.740 1.00 0.00 WAT +ATOM 9974 OH2 TIP3 1222 -23.945 -10.187 -32.951 1.00 0.00 WAT +ATOM 9975 H1 TIP3 1222 -23.018 -10.471 -32.925 1.00 0.00 WAT +ATOM 9976 H2 TIP3 1222 -23.958 -9.525 -32.245 1.00 0.00 WAT +ATOM 9977 OH2 TIP3 1223 -5.570 -9.548 -27.209 1.00 0.00 WAT +ATOM 9978 H1 TIP3 1223 -5.669 -10.499 -27.385 1.00 0.00 WAT +ATOM 9979 H2 TIP3 1223 -6.477 -9.319 -26.907 1.00 0.00 WAT +ATOM 9980 OH2 TIP3 1224 -14.925 -10.333 -28.407 1.00 0.00 WAT +ATOM 9981 H1 TIP3 1224 -14.840 -9.518 -27.870 1.00 0.00 WAT +ATOM 9982 H2 TIP3 1224 -15.822 -10.636 -28.161 1.00 0.00 WAT +ATOM 9983 OH2 TIP3 1225 -14.607 -6.536 -38.471 1.00 0.00 WAT +ATOM 9984 H1 TIP3 1225 -14.621 -6.417 -39.435 1.00 0.00 WAT +ATOM 9985 H2 TIP3 1225 -14.573 -5.625 -38.139 1.00 0.00 WAT +ATOM 9986 OH2 TIP3 1226 -20.832 -7.408 -36.809 1.00 0.00 WAT +ATOM 9987 H1 TIP3 1226 -20.657 -7.834 -35.944 1.00 0.00 WAT +ATOM 9988 H2 TIP3 1226 -21.696 -7.785 -37.023 1.00 0.00 WAT +ATOM 9989 OH2 TIP3 1227 -11.379 -6.914 -41.327 1.00 0.00 WAT +ATOM 9990 H1 TIP3 1227 -10.938 -7.520 -41.960 1.00 0.00 WAT +ATOM 9991 H2 TIP3 1227 -11.381 -7.444 -40.510 1.00 0.00 WAT +ATOM 9992 OH2 TIP3 1228 -11.897 -7.660 -38.618 1.00 0.00 WAT +ATOM 9993 H1 TIP3 1228 -12.831 -7.493 -38.399 1.00 0.00 WAT +ATOM 9994 H2 TIP3 1228 -11.680 -8.341 -37.962 1.00 0.00 WAT +ATOM 9995 OH2 TIP3 1229 -8.781 -18.205 -26.772 1.00 0.00 WAT +ATOM 9996 H1 TIP3 1229 -9.303 -17.810 -27.485 1.00 0.00 WAT +ATOM 9997 H2 TIP3 1229 -8.736 -19.137 -27.057 1.00 0.00 WAT +ATOM 9998 OH2 TIP3 1230 -21.841 -11.553 -28.632 1.00 0.00 WAT +ATOM 9999 H1 TIP3 1230 -21.543 -12.019 -27.823 1.00 0.00 WAT +ATOM 10000 H2 TIP3 1230 -22.538 -12.135 -28.979 1.00 0.00 WAT +ATOM 10001 OH2 TIP3 1231 -18.616 -23.079 -32.890 1.00 0.00 WAT +ATOM 10002 H1 TIP3 1231 -19.438 -23.146 -33.407 1.00 0.00 WAT +ATOM 10003 H2 TIP3 1231 -18.856 -22.359 -32.286 1.00 0.00 WAT +ATOM 10004 OH2 TIP3 1232 -14.247 -23.507 -29.248 1.00 0.00 WAT +ATOM 10005 H1 TIP3 1232 -13.728 -24.032 -28.608 1.00 0.00 WAT +ATOM 10006 H2 TIP3 1232 -15.156 -23.840 -29.119 1.00 0.00 WAT +ATOM 10007 OH2 TIP3 1233 -11.082 -19.707 -28.716 1.00 0.00 WAT +ATOM 10008 H1 TIP3 1233 -11.700 -19.867 -27.978 1.00 0.00 WAT +ATOM 10009 H2 TIP3 1233 -11.162 -18.750 -28.870 1.00 0.00 WAT +ATOM 10010 OH2 TIP3 1234 -9.289 -15.025 -42.501 1.00 0.00 WAT +ATOM 10011 H1 TIP3 1234 -9.759 -15.199 -43.333 1.00 0.00 WAT +ATOM 10012 H2 TIP3 1234 -8.956 -14.138 -42.682 1.00 0.00 WAT +ATOM 10013 OH2 TIP3 1235 -14.418 -21.123 -42.159 1.00 0.00 WAT +ATOM 10014 H1 TIP3 1235 -14.970 -21.092 -41.366 1.00 0.00 WAT +ATOM 10015 H2 TIP3 1235 -14.876 -21.807 -42.663 1.00 0.00 WAT +ATOM 10016 OH2 TIP3 1236 -18.770 -18.301 -31.498 1.00 0.00 WAT +ATOM 10017 H1 TIP3 1236 -19.307 -18.183 -30.697 1.00 0.00 WAT +ATOM 10018 H2 TIP3 1236 -18.691 -17.383 -31.835 1.00 0.00 WAT +ATOM 10019 OH2 TIP3 1237 -18.819 -18.213 -36.606 1.00 0.00 WAT +ATOM 10020 H1 TIP3 1237 -19.773 -18.331 -36.766 1.00 0.00 WAT +ATOM 10021 H2 TIP3 1237 -18.465 -18.419 -37.496 1.00 0.00 WAT +ATOM 10022 OH2 TIP3 1238 -13.137 -17.677 -37.854 1.00 0.00 WAT +ATOM 10023 H1 TIP3 1238 -13.546 -16.850 -38.184 1.00 0.00 WAT +ATOM 10024 H2 TIP3 1238 -12.504 -17.877 -38.564 1.00 0.00 WAT +ATOM 10025 OH2 TIP3 1239 -14.023 -17.453 -26.469 1.00 0.00 WAT +ATOM 10026 H1 TIP3 1239 -14.529 -18.209 -26.107 1.00 0.00 WAT +ATOM 10027 H2 TIP3 1239 -13.147 -17.588 -26.061 1.00 0.00 WAT +ATOM 10028 OH2 TIP3 1240 -12.354 -18.267 -35.054 1.00 0.00 WAT +ATOM 10029 H1 TIP3 1240 -12.631 -17.694 -35.796 1.00 0.00 WAT +ATOM 10030 H2 TIP3 1240 -12.142 -19.080 -35.556 1.00 0.00 WAT +ATOM 10031 OH2 TIP3 1241 -21.455 -18.114 -29.627 1.00 0.00 WAT +ATOM 10032 H1 TIP3 1241 -21.106 -17.850 -28.767 1.00 0.00 WAT +ATOM 10033 H2 TIP3 1241 -21.766 -19.018 -29.439 1.00 0.00 WAT +ATOM 10034 OH2 TIP3 1242 -17.642 -20.656 -43.111 1.00 0.00 WAT +ATOM 10035 H1 TIP3 1242 -18.010 -20.998 -42.273 1.00 0.00 WAT +ATOM 10036 H2 TIP3 1242 -18.427 -20.206 -43.478 1.00 0.00 WAT +ATOM 10037 OH2 TIP3 1243 -24.559 -20.643 -36.007 1.00 0.00 WAT +ATOM 10038 H1 TIP3 1243 -23.945 -20.687 -35.252 1.00 0.00 WAT +ATOM 10039 H2 TIP3 1243 -24.062 -21.053 -36.734 1.00 0.00 WAT +ATOM 10040 OH2 TIP3 1244 -23.012 -20.231 -40.376 1.00 0.00 WAT +ATOM 10041 H1 TIP3 1244 -22.425 -19.777 -41.012 1.00 0.00 WAT +ATOM 10042 H2 TIP3 1244 -23.664 -19.539 -40.176 1.00 0.00 WAT +ATOM 10043 OH2 TIP3 1245 -13.257 -16.583 -30.587 1.00 0.00 WAT +ATOM 10044 H1 TIP3 1245 -12.816 -17.307 -31.088 1.00 0.00 WAT +ATOM 10045 H2 TIP3 1245 -13.590 -17.061 -29.814 1.00 0.00 WAT +ATOM 10046 OH2 TIP3 1246 -16.044 -20.626 -35.573 1.00 0.00 WAT +ATOM 10047 H1 TIP3 1246 -16.989 -20.680 -35.353 1.00 0.00 WAT +ATOM 10048 H2 TIP3 1246 -15.633 -20.827 -34.715 1.00 0.00 WAT +ATOM 10049 OH2 TIP3 1247 -21.474 -19.406 -36.898 1.00 0.00 WAT +ATOM 10050 H1 TIP3 1247 -22.294 -19.151 -37.358 1.00 0.00 WAT +ATOM 10051 H2 TIP3 1247 -21.182 -20.200 -37.384 1.00 0.00 WAT +ATOM 10052 OH2 TIP3 1248 -17.874 -18.987 -39.202 1.00 0.00 WAT +ATOM 10053 H1 TIP3 1248 -16.902 -18.976 -39.159 1.00 0.00 WAT +ATOM 10054 H2 TIP3 1248 -18.086 -18.433 -39.970 1.00 0.00 WAT +ATOM 10055 OH2 TIP3 1249 -11.658 -21.494 -32.558 1.00 0.00 WAT +ATOM 10056 H1 TIP3 1249 -12.295 -21.485 -31.810 1.00 0.00 WAT +ATOM 10057 H2 TIP3 1249 -12.240 -21.829 -33.262 1.00 0.00 WAT +ATOM 10058 OH2 TIP3 1250 -19.303 -17.843 -41.598 1.00 0.00 WAT +ATOM 10059 H1 TIP3 1250 -19.905 -18.390 -42.131 1.00 0.00 WAT +ATOM 10060 H2 TIP3 1250 -18.538 -17.736 -42.179 1.00 0.00 WAT +ATOM 10061 OH2 TIP3 1251 -8.656 -5.723 -25.903 1.00 0.00 WAT +ATOM 10062 H1 TIP3 1251 -8.416 -5.246 -26.715 1.00 0.00 WAT +ATOM 10063 H2 TIP3 1251 -8.005 -5.380 -25.269 1.00 0.00 WAT +ATOM 10064 OH2 TIP3 1252 -20.752 -13.097 -26.469 1.00 0.00 WAT +ATOM 10065 H1 TIP3 1252 -20.081 -13.017 -25.757 1.00 0.00 WAT +ATOM 10066 H2 TIP3 1252 -21.564 -13.088 -25.926 1.00 0.00 WAT +ATOM 10067 OH2 TIP3 1253 -15.031 -18.084 -33.746 1.00 0.00 WAT +ATOM 10068 H1 TIP3 1253 -14.301 -18.525 -34.204 1.00 0.00 WAT +ATOM 10069 H2 TIP3 1253 -15.199 -18.693 -32.998 1.00 0.00 WAT +ATOM 10070 OH2 TIP3 1254 -19.719 -21.667 -37.619 1.00 0.00 WAT +ATOM 10071 H1 TIP3 1254 -20.275 -22.450 -37.476 1.00 0.00 WAT +ATOM 10072 H2 TIP3 1254 -18.900 -22.057 -37.956 1.00 0.00 WAT +ATOM 10073 OH2 TIP3 1255 -16.053 -19.618 -31.512 1.00 0.00 WAT +ATOM 10074 H1 TIP3 1255 -16.838 -19.046 -31.486 1.00 0.00 WAT +ATOM 10075 H2 TIP3 1255 -15.575 -19.375 -30.693 1.00 0.00 WAT +ATOM 10076 OH2 TIP3 1256 -15.908 -13.244 -39.606 1.00 0.00 WAT +ATOM 10077 H1 TIP3 1256 -16.677 -13.741 -39.954 1.00 0.00 WAT +ATOM 10078 H2 TIP3 1256 -16.111 -13.191 -38.643 1.00 0.00 WAT +ATOM 10079 OH2 TIP3 1257 -8.693 -14.079 -30.870 1.00 0.00 WAT +ATOM 10080 H1 TIP3 1257 -8.199 -13.533 -31.519 1.00 0.00 WAT +ATOM 10081 H2 TIP3 1257 -9.551 -14.188 -31.325 1.00 0.00 WAT +ATOM 10082 OH2 TIP3 1258 -11.749 -20.472 -41.831 1.00 0.00 WAT +ATOM 10083 H1 TIP3 1258 -12.728 -20.509 -41.863 1.00 0.00 WAT +ATOM 10084 H2 TIP3 1258 -11.557 -19.709 -41.250 1.00 0.00 WAT +ATOM 10085 OH2 TIP3 1259 -14.288 -13.232 -28.287 1.00 0.00 WAT +ATOM 10086 H1 TIP3 1259 -14.575 -13.551 -27.420 1.00 0.00 WAT +ATOM 10087 H2 TIP3 1259 -14.583 -12.308 -28.278 1.00 0.00 WAT +ATOM 10088 OH2 TIP3 1260 -11.153 -18.614 -39.879 1.00 0.00 WAT +ATOM 10089 H1 TIP3 1260 -10.291 -18.797 -39.454 1.00 0.00 WAT +ATOM 10090 H2 TIP3 1260 -11.000 -17.746 -40.293 1.00 0.00 WAT +ATOM 10091 OH2 TIP3 1261 -20.788 -13.852 -33.783 1.00 0.00 WAT +ATOM 10092 H1 TIP3 1261 -20.221 -13.959 -34.565 1.00 0.00 WAT +ATOM 10093 H2 TIP3 1261 -20.673 -14.706 -33.335 1.00 0.00 WAT +ATOM 10094 OH2 TIP3 1262 -13.482 -11.894 -40.720 1.00 0.00 WAT +ATOM 10095 H1 TIP3 1262 -13.764 -11.020 -40.378 1.00 0.00 WAT +ATOM 10096 H2 TIP3 1262 -14.232 -12.443 -40.423 1.00 0.00 WAT +ATOM 10097 OH2 TIP3 1263 -23.565 -15.572 -28.531 1.00 0.00 WAT +ATOM 10098 H1 TIP3 1263 -23.375 -16.003 -27.672 1.00 0.00 WAT +ATOM 10099 H2 TIP3 1263 -24.150 -16.218 -28.958 1.00 0.00 WAT +ATOM 10100 OH2 TIP3 1264 -16.548 -16.061 -26.545 1.00 0.00 WAT +ATOM 10101 H1 TIP3 1264 -16.882 -16.321 -27.419 1.00 0.00 WAT +ATOM 10102 H2 TIP3 1264 -15.619 -16.345 -26.615 1.00 0.00 WAT +ATOM 10103 OH2 TIP3 1265 -12.017 -10.638 -28.816 1.00 0.00 WAT +ATOM 10104 H1 TIP3 1265 -12.984 -10.551 -28.868 1.00 0.00 WAT +ATOM 10105 H2 TIP3 1265 -11.847 -10.389 -27.891 1.00 0.00 WAT +ATOM 10106 OH2 TIP3 1266 -6.441 -18.514 -39.990 1.00 0.00 WAT +ATOM 10107 H1 TIP3 1266 -7.069 -18.715 -40.711 1.00 0.00 WAT +ATOM 10108 H2 TIP3 1266 -6.320 -17.565 -40.170 1.00 0.00 WAT +ATOM 10109 OH2 TIP3 1267 -6.033 -12.551 -27.226 1.00 0.00 WAT +ATOM 10110 H1 TIP3 1267 -6.968 -12.330 -27.424 1.00 0.00 WAT +ATOM 10111 H2 TIP3 1267 -5.693 -12.720 -28.126 1.00 0.00 WAT +ATOM 10112 OH2 TIP3 1268 -8.208 -9.962 -39.931 1.00 0.00 WAT +ATOM 10113 H1 TIP3 1268 -8.524 -10.693 -39.377 1.00 0.00 WAT +ATOM 10114 H2 TIP3 1268 -7.865 -10.423 -40.707 1.00 0.00 WAT +ATOM 10115 OH2 TIP3 1269 -11.036 -14.640 -32.571 1.00 0.00 WAT +ATOM 10116 H1 TIP3 1269 -11.971 -14.801 -32.799 1.00 0.00 WAT +ATOM 10117 H2 TIP3 1269 -10.601 -15.368 -33.057 1.00 0.00 WAT +ATOM 10118 OH2 TIP3 1270 -18.401 -10.574 -36.553 1.00 0.00 WAT +ATOM 10119 H1 TIP3 1270 -17.984 -9.703 -36.645 1.00 0.00 WAT +ATOM 10120 H2 TIP3 1270 -19.326 -10.372 -36.744 1.00 0.00 WAT +ATOM 10121 OH2 TIP3 1271 -22.336 -15.654 -41.996 1.00 0.00 WAT +ATOM 10122 H1 TIP3 1271 -21.777 -15.008 -41.524 1.00 0.00 WAT +ATOM 10123 H2 TIP3 1271 -23.228 -15.437 -41.665 1.00 0.00 WAT +ATOM 10124 OH2 TIP3 1272 -16.574 -12.866 -36.916 1.00 0.00 WAT +ATOM 10125 H1 TIP3 1272 -16.890 -11.961 -36.757 1.00 0.00 WAT +ATOM 10126 H2 TIP3 1272 -17.264 -13.383 -36.473 1.00 0.00 WAT +ATOM 10127 OH2 TIP3 1273 -16.409 -8.616 -30.554 1.00 0.00 WAT +ATOM 10128 H1 TIP3 1273 -15.851 -7.865 -30.816 1.00 0.00 WAT +ATOM 10129 H2 TIP3 1273 -15.802 -9.108 -29.976 1.00 0.00 WAT +ATOM 10130 OH2 TIP3 1274 -17.963 -7.661 -37.353 1.00 0.00 WAT +ATOM 10131 H1 TIP3 1274 -18.919 -7.529 -37.237 1.00 0.00 WAT +ATOM 10132 H2 TIP3 1274 -17.614 -6.793 -37.076 1.00 0.00 WAT +ATOM 10133 OH2 TIP3 1275 -13.006 -12.866 -30.984 1.00 0.00 WAT +ATOM 10134 H1 TIP3 1275 -13.288 -13.135 -30.091 1.00 0.00 WAT +ATOM 10135 H2 TIP3 1275 -12.262 -13.468 -31.148 1.00 0.00 WAT +ATOM 10136 OH2 TIP3 1276 -10.815 -11.521 -41.944 1.00 0.00 WAT +ATOM 10137 H1 TIP3 1276 -10.349 -12.000 -41.230 1.00 0.00 WAT +ATOM 10138 H2 TIP3 1276 -11.728 -11.646 -41.634 1.00 0.00 WAT +ATOM 10139 OH2 TIP3 1277 -10.045 -8.305 -28.598 1.00 0.00 WAT +ATOM 10140 H1 TIP3 1277 -10.814 -8.749 -29.004 1.00 0.00 WAT +ATOM 10141 H2 TIP3 1277 -9.961 -7.497 -29.136 1.00 0.00 WAT +ATOM 10142 OH2 TIP3 1278 -5.952 -7.123 -41.610 1.00 0.00 WAT +ATOM 10143 H1 TIP3 1278 -5.244 -6.458 -41.462 1.00 0.00 WAT +ATOM 10144 H2 TIP3 1278 -6.738 -6.601 -41.347 1.00 0.00 WAT +ATOM 10145 OH2 TIP3 1279 -22.202 -20.927 -28.916 1.00 0.00 WAT +ATOM 10146 H1 TIP3 1279 -23.118 -20.674 -29.140 1.00 0.00 WAT +ATOM 10147 H2 TIP3 1279 -22.341 -21.782 -28.468 1.00 0.00 WAT +ATOM 10148 OH2 TIP3 1280 -9.849 -12.973 -39.701 1.00 0.00 WAT +ATOM 10149 H1 TIP3 1280 -10.135 -13.665 -39.077 1.00 0.00 WAT +ATOM 10150 H2 TIP3 1280 -8.881 -13.005 -39.587 1.00 0.00 WAT +ATOM 10151 OH2 TIP3 1281 -22.469 -9.177 -30.491 1.00 0.00 WAT +ATOM 10152 H1 TIP3 1281 -22.129 -10.067 -30.315 1.00 0.00 WAT +ATOM 10153 H2 TIP3 1281 -22.243 -8.734 -29.663 1.00 0.00 WAT +ATOM 10154 OH2 TIP3 1282 -16.340 -10.537 -43.251 1.00 0.00 WAT +ATOM 10155 H1 TIP3 1282 -15.976 -11.388 -43.551 1.00 0.00 WAT +ATOM 10156 H2 TIP3 1282 -16.901 -10.832 -42.507 1.00 0.00 WAT +ATOM 10157 OH2 TIP3 1283 -17.808 -10.985 -40.740 1.00 0.00 WAT +ATOM 10158 H1 TIP3 1283 -17.278 -11.525 -40.136 1.00 0.00 WAT +ATOM 10159 H2 TIP3 1283 -17.579 -10.073 -40.472 1.00 0.00 WAT +ATOM 10160 OH2 TIP3 1284 -20.937 -13.624 -40.376 1.00 0.00 WAT +ATOM 10161 H1 TIP3 1284 -21.675 -13.209 -39.883 1.00 0.00 WAT +ATOM 10162 H2 TIP3 1284 -20.447 -12.838 -40.666 1.00 0.00 WAT +ATOM 10163 OH2 TIP3 1285 -13.226 -21.092 -30.362 1.00 0.00 WAT +ATOM 10164 H1 TIP3 1285 -12.624 -20.824 -29.653 1.00 0.00 WAT +ATOM 10165 H2 TIP3 1285 -13.731 -21.822 -29.952 1.00 0.00 WAT +ATOM 10166 OH2 TIP3 1286 -12.655 -21.522 -39.209 1.00 0.00 WAT +ATOM 10167 H1 TIP3 1286 -12.333 -21.036 -39.984 1.00 0.00 WAT +ATOM 10168 H2 TIP3 1286 -12.127 -21.136 -38.493 1.00 0.00 WAT +ATOM 10169 OH2 TIP3 1287 -14.835 -9.402 -40.290 1.00 0.00 WAT +ATOM 10170 H1 TIP3 1287 -15.611 -8.890 -40.012 1.00 0.00 WAT +ATOM 10171 H2 TIP3 1287 -14.318 -8.727 -40.744 1.00 0.00 WAT +ATOM 10172 OH2 TIP3 1288 -15.211 -19.612 -38.151 1.00 0.00 WAT +ATOM 10173 H1 TIP3 1288 -14.414 -19.063 -38.004 1.00 0.00 WAT +ATOM 10174 H2 TIP3 1288 -15.491 -19.801 -37.235 1.00 0.00 WAT +ATOM 10175 OH2 TIP3 1289 -14.813 -18.737 -28.999 1.00 0.00 WAT +ATOM 10176 H1 TIP3 1289 -14.779 -18.223 -28.175 1.00 0.00 WAT +ATOM 10177 H2 TIP3 1289 -14.289 -19.514 -28.762 1.00 0.00 WAT +ATOM 10178 OH2 TIP3 1290 -14.561 -22.610 -37.231 1.00 0.00 WAT +ATOM 10179 H1 TIP3 1290 -14.766 -21.920 -36.573 1.00 0.00 WAT +ATOM 10180 H2 TIP3 1290 -13.856 -22.174 -37.752 1.00 0.00 WAT +ATOM 10181 OH2 TIP3 1291 -17.634 -8.208 -40.248 1.00 0.00 WAT +ATOM 10182 H1 TIP3 1291 -17.594 -7.351 -40.719 1.00 0.00 WAT +ATOM 10183 H2 TIP3 1291 -17.767 -7.932 -39.323 1.00 0.00 WAT +ATOM 10184 OH2 TIP3 1292 -18.858 -21.525 -40.814 1.00 0.00 WAT +ATOM 10185 H1 TIP3 1292 -18.902 -20.844 -40.123 1.00 0.00 WAT +ATOM 10186 H2 TIP3 1292 -18.139 -22.095 -40.480 1.00 0.00 WAT +ATOM 10187 OH2 TIP3 1293 -8.554 -20.727 -28.097 1.00 0.00 WAT +ATOM 10188 H1 TIP3 1293 -9.511 -20.597 -28.254 1.00 0.00 WAT +ATOM 10189 H2 TIP3 1293 -8.290 -20.947 -29.004 1.00 0.00 WAT +ATOM 10190 OH2 TIP3 1294 -10.036 -16.891 -34.091 1.00 0.00 WAT +ATOM 10191 H1 TIP3 1294 -10.860 -17.343 -34.351 1.00 0.00 WAT +ATOM 10192 H2 TIP3 1294 -9.557 -17.602 -33.612 1.00 0.00 WAT +ATOM 10193 OH2 TIP3 1295 -20.524 -10.643 -41.577 1.00 0.00 WAT +ATOM 10194 H1 TIP3 1295 -19.702 -10.379 -41.130 1.00 0.00 WAT +ATOM 10195 H2 TIP3 1295 -20.153 -11.173 -42.300 1.00 0.00 WAT +ATOM 10196 OH2 TIP3 1296 -22.260 -18.470 -42.561 1.00 0.00 WAT +ATOM 10197 H1 TIP3 1296 -22.135 -17.515 -42.393 1.00 0.00 WAT +ATOM 10198 H2 TIP3 1296 -23.173 -18.500 -42.888 1.00 0.00 WAT +ATOM 10199 OH2 TIP3 1297 -9.017 -8.047 -32.721 1.00 0.00 WAT +ATOM 10200 H1 TIP3 1297 -9.182 -7.209 -33.195 1.00 0.00 WAT +ATOM 10201 H2 TIP3 1297 -8.101 -7.906 -32.435 1.00 0.00 WAT +ATOM 10202 OH2 TIP3 1298 -21.413 -23.521 -33.708 1.00 0.00 WAT +ATOM 10203 H1 TIP3 1298 -21.584 -23.553 -34.671 1.00 0.00 WAT +ATOM 10204 H2 TIP3 1298 -21.743 -24.386 -33.403 1.00 0.00 WAT +ATOM 10205 OH2 TIP3 1299 -22.542 -10.020 -37.478 1.00 0.00 WAT +ATOM 10206 H1 TIP3 1299 -23.311 -9.487 -37.237 1.00 0.00 WAT +ATOM 10207 H2 TIP3 1299 -22.133 -9.495 -38.179 1.00 0.00 WAT +ATOM 10208 OH2 TIP3 1300 -23.048 -7.136 -26.355 1.00 0.00 WAT +ATOM 10209 H1 TIP3 1300 -22.540 -7.358 -25.550 1.00 0.00 WAT +ATOM 10210 H2 TIP3 1300 -23.467 -7.987 -26.578 1.00 0.00 WAT +ATOM 10211 OH2 TIP3 1301 -18.402 -8.044 -24.485 1.00 0.00 WAT +ATOM 10212 H1 TIP3 1301 -17.720 -8.700 -24.273 1.00 0.00 WAT +ATOM 10213 H2 TIP3 1301 -18.635 -8.306 -25.390 1.00 0.00 WAT +ATOM 10214 OH2 TIP3 1302 -14.193 -8.706 -43.334 1.00 0.00 WAT +ATOM 10215 H1 TIP3 1302 -15.006 -9.248 -43.254 1.00 0.00 WAT +ATOM 10216 H2 TIP3 1302 -13.550 -9.407 -43.518 1.00 0.00 WAT +ATOM 10217 OH2 TIP3 1303 -11.929 -9.808 -25.940 1.00 0.00 WAT +ATOM 10218 H1 TIP3 1303 -12.337 -10.600 -25.546 1.00 0.00 WAT +ATOM 10219 H2 TIP3 1303 -11.260 -9.565 -25.274 1.00 0.00 WAT +ATOM 10220 OH2 TIP3 1304 -10.228 -8.863 -42.883 1.00 0.00 WAT +ATOM 10221 H1 TIP3 1304 -10.240 -9.750 -42.478 1.00 0.00 WAT +ATOM 10222 H2 TIP3 1304 -9.357 -8.846 -43.284 1.00 0.00 WAT +ATOM 10223 OH2 TIP3 1305 -23.290 -13.416 -25.358 1.00 0.00 WAT +ATOM 10224 H1 TIP3 1305 -23.176 -14.350 -25.599 1.00 0.00 WAT +ATOM 10225 H2 TIP3 1305 -24.048 -13.159 -25.911 1.00 0.00 WAT +ATOM 10226 OH2 TIP3 1306 -18.883 -12.884 -43.059 1.00 0.00 WAT +ATOM 10227 H1 TIP3 1306 -18.783 -13.613 -42.432 1.00 0.00 WAT +ATOM 10228 H2 TIP3 1306 -18.231 -13.106 -43.739 1.00 0.00 WAT +ATOM 10229 OH2 TIP3 1307 -16.512 -13.299 -25.828 1.00 0.00 WAT +ATOM 10230 H1 TIP3 1307 -16.834 -12.973 -26.684 1.00 0.00 WAT +ATOM 10231 H2 TIP3 1307 -16.455 -14.267 -25.971 1.00 0.00 WAT +ATOM 10232 OH2 TIP3 1308 -13.567 -11.875 -43.482 1.00 0.00 WAT +ATOM 10233 H1 TIP3 1308 -13.463 -11.800 -42.514 1.00 0.00 WAT +ATOM 10234 H2 TIP3 1308 -12.964 -12.596 -43.710 1.00 0.00 WAT +ATOM 10235 OH2 TIP3 1309 -11.158 -13.688 -28.439 1.00 0.00 WAT +ATOM 10236 H1 TIP3 1309 -10.376 -13.144 -28.622 1.00 0.00 WAT +ATOM 10237 H2 TIP3 1309 -11.858 -13.014 -28.444 1.00 0.00 WAT +ATOM 10238 OH2 TIP3 1310 -22.307 -16.313 -26.011 1.00 0.00 WAT +ATOM 10239 H1 TIP3 1310 -21.588 -16.970 -25.999 1.00 0.00 WAT +ATOM 10240 H2 TIP3 1310 -22.351 -16.094 -25.063 1.00 0.00 WAT +ATOM 10241 OH2 TIP3 1311 -17.864 -14.990 -40.888 1.00 0.00 WAT +ATOM 10242 H1 TIP3 1311 -18.477 -15.462 -40.303 1.00 0.00 WAT +ATOM 10243 H2 TIP3 1311 -17.516 -15.717 -41.437 1.00 0.00 WAT +ATOM 10244 OH2 TIP3 1312 -18.664 -17.242 -28.604 1.00 0.00 WAT +ATOM 10245 H1 TIP3 1312 -19.162 -16.447 -28.342 1.00 0.00 WAT +ATOM 10246 H2 TIP3 1312 -17.979 -16.865 -29.184 1.00 0.00 WAT +ATOM 10247 OH2 TIP3 1313 -16.679 -16.851 -42.768 1.00 0.00 WAT +ATOM 10248 H1 TIP3 1313 -16.624 -17.158 -43.685 1.00 0.00 WAT +ATOM 10249 H2 TIP3 1313 -15.733 -16.899 -42.511 1.00 0.00 WAT +ATOM 10250 OH2 TIP3 1314 -13.332 -14.518 -25.006 1.00 0.00 WAT +ATOM 10251 H1 TIP3 1314 -12.435 -14.716 -25.312 1.00 0.00 WAT +ATOM 10252 H2 TIP3 1314 -13.594 -15.359 -24.607 1.00 0.00 WAT +ATOM 10253 OH2 TIP3 1315 -18.030 -19.918 -27.422 1.00 0.00 WAT +ATOM 10254 H1 TIP3 1315 -17.982 -20.594 -28.123 1.00 0.00 WAT +ATOM 10255 H2 TIP3 1315 -18.259 -19.122 -27.933 1.00 0.00 WAT +ATOM 10256 OH2 TIP3 1316 -17.714 -21.467 -29.967 1.00 0.00 WAT +ATOM 10257 H1 TIP3 1316 -17.200 -20.949 -30.615 1.00 0.00 WAT +ATOM 10258 H2 TIP3 1316 -18.625 -21.438 -30.326 1.00 0.00 WAT +ATOM 10259 OH2 TIP3 1317 -16.177 -16.025 -29.567 1.00 0.00 WAT +ATOM 10260 H1 TIP3 1317 -15.334 -16.111 -30.037 1.00 0.00 WAT +ATOM 10261 H2 TIP3 1317 -16.471 -15.143 -29.868 1.00 0.00 WAT +ATOM 10262 OH2 TIP3 1318 -11.592 -18.078 -24.794 1.00 0.00 WAT +ATOM 10263 H1 TIP3 1318 -11.373 -19.009 -24.637 1.00 0.00 WAT +ATOM 10264 H2 TIP3 1318 -10.708 -17.682 -24.857 1.00 0.00 WAT +ATOM 10265 OH2 TIP3 1319 -10.614 -15.289 -26.283 1.00 0.00 WAT +ATOM 10266 H1 TIP3 1319 -10.964 -14.683 -26.969 1.00 0.00 WAT +ATOM 10267 H2 TIP3 1319 -9.722 -15.448 -26.649 1.00 0.00 WAT +ATOM 10268 OH2 TIP3 1320 -19.846 -18.069 -25.654 1.00 0.00 WAT +ATOM 10269 H1 TIP3 1320 -20.386 -18.878 -25.606 1.00 0.00 WAT +ATOM 10270 H2 TIP3 1320 -19.034 -18.402 -26.064 1.00 0.00 WAT +ATOM 10271 OH2 TIP3 1321 -16.987 -24.137 -29.618 1.00 0.00 WAT +ATOM 10272 H1 TIP3 1321 -17.171 -23.185 -29.773 1.00 0.00 WAT +ATOM 10273 H2 TIP3 1321 -17.693 -24.556 -30.147 1.00 0.00 WAT +ATOM 10274 OH2 TIP3 1322 -15.730 -19.567 -25.819 1.00 0.00 WAT +ATOM 10275 H1 TIP3 1322 -16.100 -19.785 -24.944 1.00 0.00 WAT +ATOM 10276 H2 TIP3 1322 -16.517 -19.763 -26.371 1.00 0.00 WAT +ATOM 10277 OH2 TIP3 1323 -13.190 -20.520 -26.963 1.00 0.00 WAT +ATOM 10278 H1 TIP3 1323 -14.076 -20.468 -26.557 1.00 0.00 WAT +ATOM 10279 H2 TIP3 1323 -12.740 -21.153 -26.373 1.00 0.00 WAT +ATOM 10280 OH2 TIP3 1324 -11.301 -22.039 -25.197 1.00 0.00 WAT +ATOM 10281 H1 TIP3 1324 -11.514 -22.983 -25.056 1.00 0.00 WAT +ATOM 10282 H2 TIP3 1324 -11.543 -21.622 -24.350 1.00 0.00 WAT +ATOM 10283 OH2 TIP3 1325 -21.168 -20.631 -25.792 1.00 0.00 WAT +ATOM 10284 H1 TIP3 1325 -21.262 -21.346 -26.441 1.00 0.00 WAT +ATOM 10285 H2 TIP3 1325 -21.389 -21.094 -24.961 1.00 0.00 WAT +ATOM 10286 OH2 TIP3 1326 -17.144 -24.642 -26.798 1.00 0.00 WAT +ATOM 10287 H1 TIP3 1326 -16.566 -25.420 -26.745 1.00 0.00 WAT +ATOM 10288 H2 TIP3 1326 -17.177 -24.499 -27.764 1.00 0.00 WAT +ATOM 10289 OH2 TIP3 1327 -16.191 -22.763 -24.965 1.00 0.00 WAT +ATOM 10290 H1 TIP3 1327 -16.509 -23.373 -25.663 1.00 0.00 WAT +ATOM 10291 H2 TIP3 1327 -16.907 -22.113 -24.914 1.00 0.00 WAT +ATOM 10292 OH2 TIP3 1328 -17.079 -5.744 -41.725 1.00 0.00 WAT +ATOM 10293 H1 TIP3 1328 -16.129 -5.593 -41.606 1.00 0.00 WAT +ATOM 10294 H2 TIP3 1328 -17.318 -5.124 -42.431 1.00 0.00 WAT +ATOM 10295 OH2 TIP3 1329 -23.241 -11.678 -41.973 1.00 0.00 WAT +ATOM 10296 H1 TIP3 1329 -22.339 -11.310 -41.971 1.00 0.00 WAT +ATOM 10297 H2 TIP3 1329 -23.246 -12.224 -42.773 1.00 0.00 WAT +ATOM 10298 OH2 TIP3 1330 -24.173 -6.178 -37.223 1.00 0.00 WAT +ATOM 10299 H1 TIP3 1330 -24.924 -6.513 -37.754 1.00 0.00 WAT +ATOM 10300 H2 TIP3 1330 -24.145 -6.830 -36.494 1.00 0.00 WAT +ATOM 10301 OH2 TIP3 1331 -23.826 -8.137 -35.208 1.00 0.00 WAT +ATOM 10302 H1 TIP3 1331 -24.133 -9.001 -34.888 1.00 0.00 WAT +ATOM 10303 H2 TIP3 1331 -23.518 -7.761 -34.368 1.00 0.00 WAT +ATOM 10304 OH2 TIP3 1332 -6.297 -6.851 -32.198 1.00 0.00 WAT +ATOM 10305 H1 TIP3 1332 -6.150 -6.877 -31.239 1.00 0.00 WAT +ATOM 10306 H2 TIP3 1332 -5.426 -6.577 -32.515 1.00 0.00 WAT +ATOM 10307 OH2 TIP3 1333 -6.406 -7.424 -29.322 1.00 0.00 WAT +ATOM 10308 H1 TIP3 1333 -6.920 -8.177 -29.668 1.00 0.00 WAT +ATOM 10309 H2 TIP3 1333 -5.843 -7.884 -28.681 1.00 0.00 WAT +ATOM 10310 OH2 TIP3 1334 -8.397 -11.979 -25.021 1.00 0.00 WAT +ATOM 10311 H1 TIP3 1334 -9.282 -11.903 -24.624 1.00 0.00 WAT +ATOM 10312 H2 TIP3 1334 -7.943 -11.185 -24.694 1.00 0.00 WAT +ATOM 10313 OH2 TIP3 1335 -7.003 -13.146 -39.304 1.00 0.00 WAT +ATOM 10314 H1 TIP3 1335 -6.099 -12.806 -39.158 1.00 0.00 WAT +ATOM 10315 H2 TIP3 1335 -7.058 -13.787 -38.570 1.00 0.00 WAT +ATOM 10316 OH2 TIP3 1336 -6.554 -15.142 -37.321 1.00 0.00 WAT +ATOM 10317 H1 TIP3 1336 -7.217 -15.706 -36.876 1.00 0.00 WAT +ATOM 10318 H2 TIP3 1336 -5.865 -15.021 -36.638 1.00 0.00 WAT +ATOM 10319 OH2 TIP3 1337 -6.822 -12.634 -32.343 1.00 0.00 WAT +ATOM 10320 H1 TIP3 1337 -6.195 -13.125 -32.897 1.00 0.00 WAT +ATOM 10321 H2 TIP3 1337 -6.682 -11.719 -32.641 1.00 0.00 WAT +ATOM 10322 OH2 TIP3 1338 -8.101 -9.711 -30.103 1.00 0.00 WAT +ATOM 10323 H1 TIP3 1338 -8.829 -9.311 -29.593 1.00 0.00 WAT +ATOM 10324 H2 TIP3 1338 -8.571 -10.083 -30.874 1.00 0.00 WAT +ATOM 10325 OH2 TIP3 1339 -6.264 -15.482 -41.077 1.00 0.00 WAT +ATOM 10326 H1 TIP3 1339 -6.901 -15.200 -41.750 1.00 0.00 WAT +ATOM 10327 H2 TIP3 1339 -6.447 -14.830 -40.381 1.00 0.00 WAT +ATOM 10328 OH2 TIP3 1340 -8.065 -18.099 -42.168 1.00 0.00 WAT +ATOM 10329 H1 TIP3 1340 -7.744 -17.361 -42.710 1.00 0.00 WAT +ATOM 10330 H2 TIP3 1340 -7.647 -18.853 -42.595 1.00 0.00 WAT +ATOM 10331 OH2 TIP3 1341 -8.621 -17.004 -36.505 1.00 0.00 WAT +ATOM 10332 H1 TIP3 1341 -8.700 -17.959 -36.659 1.00 0.00 WAT +ATOM 10333 H2 TIP3 1341 -8.997 -16.909 -35.606 1.00 0.00 WAT +ATOM 10334 OH2 TIP3 1342 -23.758 -14.801 -32.780 1.00 0.00 WAT +ATOM 10335 H1 TIP3 1342 -23.508 -14.751 -33.718 1.00 0.00 WAT +ATOM 10336 H2 TIP3 1342 -22.892 -15.029 -32.380 1.00 0.00 WAT +ATOM 10337 OH2 TIP3 1343 -8.005 -15.070 -27.369 1.00 0.00 WAT +ATOM 10338 H1 TIP3 1343 -7.273 -15.689 -27.185 1.00 0.00 WAT +ATOM 10339 H2 TIP3 1343 -7.539 -14.242 -27.546 1.00 0.00 WAT +ATOM 10340 OH2 TIP3 1344 -6.451 -16.961 -26.136 1.00 0.00 WAT +ATOM 10341 H1 TIP3 1344 -7.239 -17.504 -26.355 1.00 0.00 WAT +ATOM 10342 H2 TIP3 1344 -5.744 -17.632 -26.160 1.00 0.00 WAT +ATOM 10343 OH2 TIP3 1345 -8.806 -21.341 -43.402 1.00 0.00 WAT +ATOM 10344 H1 TIP3 1345 -8.232 -21.551 -42.657 1.00 0.00 WAT +ATOM 10345 H2 TIP3 1345 -9.689 -21.631 -43.123 1.00 0.00 WAT +ATOM 10346 OH2 TIP3 1346 -8.819 -19.464 -38.369 1.00 0.00 WAT +ATOM 10347 H1 TIP3 1346 -8.561 -20.411 -38.286 1.00 0.00 WAT +ATOM 10348 H2 TIP3 1346 -7.996 -19.090 -38.724 1.00 0.00 WAT +ATOM 10349 OH2 TIP3 1347 -8.508 -18.892 -32.888 1.00 0.00 WAT +ATOM 10350 H1 TIP3 1347 -7.535 -18.784 -32.910 1.00 0.00 WAT +ATOM 10351 H2 TIP3 1347 -8.657 -18.865 -31.927 1.00 0.00 WAT +ATOM 10352 OH2 TIP3 1348 -8.345 -18.199 -30.074 1.00 0.00 WAT +ATOM 10353 H1 TIP3 1348 -9.197 -17.813 -29.797 1.00 0.00 WAT +ATOM 10354 H2 TIP3 1348 -7.820 -17.401 -30.275 1.00 0.00 WAT +ATOM 10355 OH2 TIP3 1349 -23.841 -19.414 -26.420 1.00 0.00 WAT +ATOM 10356 H1 TIP3 1349 -22.909 -19.680 -26.334 1.00 0.00 WAT +ATOM 10357 H2 TIP3 1349 -24.288 -20.277 -26.349 1.00 0.00 WAT +ATOM 10358 OH2 TIP3 1350 -5.792 -24.053 -24.779 1.00 0.00 WAT +ATOM 10359 H1 TIP3 1350 -5.365 -24.734 -25.332 1.00 0.00 WAT +ATOM 10360 H2 TIP3 1350 -5.745 -23.267 -25.359 1.00 0.00 WAT +ATOM 10361 OH2 TIP3 1351 -8.308 -22.195 -38.272 1.00 0.00 WAT +ATOM 10362 H1 TIP3 1351 -8.179 -22.593 -37.395 1.00 0.00 WAT +ATOM 10363 H2 TIP3 1351 -9.027 -22.757 -38.629 1.00 0.00 WAT +ATOM 10364 OH2 TIP3 1352 -23.093 -21.088 -33.581 1.00 0.00 WAT +ATOM 10365 H1 TIP3 1352 -22.641 -21.948 -33.517 1.00 0.00 WAT +ATOM 10366 H2 TIP3 1352 -22.394 -20.494 -33.246 1.00 0.00 WAT +ATOM 10367 OH2 TIP3 1353 -24.556 -18.368 -32.547 1.00 0.00 WAT +ATOM 10368 H1 TIP3 1353 -23.957 -18.479 -33.302 1.00 0.00 WAT +ATOM 10369 H2 TIP3 1353 -24.158 -17.603 -32.112 1.00 0.00 WAT +ATOM 10370 OH2 TIP3 1354 -6.416 -22.004 -26.525 1.00 0.00 WAT +ATOM 10371 H1 TIP3 1354 -7.286 -21.565 -26.494 1.00 0.00 WAT +ATOM 10372 H2 TIP3 1354 -6.531 -22.545 -27.327 1.00 0.00 WAT +ATOM 10373 OH2 TIP3 1355 -6.272 -21.804 -41.767 1.00 0.00 WAT +ATOM 10374 H1 TIP3 1355 -6.047 -22.557 -42.325 1.00 0.00 WAT +ATOM 10375 H2 TIP3 1355 -5.419 -21.343 -41.700 1.00 0.00 WAT +ATOM 10376 OH2 TIP3 1356 -24.037 -22.040 -38.497 1.00 0.00 WAT +ATOM 10377 H1 TIP3 1356 -24.982 -22.044 -38.722 1.00 0.00 WAT +ATOM 10378 H2 TIP3 1356 -23.645 -21.478 -39.194 1.00 0.00 WAT +ATOM 10379 OH2 TIP3 1357 -9.433 -6.827 -36.423 1.00 0.00 WAT +ATOM 10380 H1 TIP3 1357 -8.920 -7.105 -37.197 1.00 0.00 WAT +ATOM 10381 H2 TIP3 1357 -8.752 -6.452 -35.851 1.00 0.00 WAT +ATOM 10382 OH2 TIP3 1358 -23.996 -23.195 -30.350 1.00 0.00 WAT +ATOM 10383 H1 TIP3 1358 -24.687 -23.477 -29.734 1.00 0.00 WAT +ATOM 10384 H2 TIP3 1358 -24.514 -22.696 -31.003 1.00 0.00 WAT +ATOM 10385 OH2 TIP3 1359 -21.988 -10.159 -25.663 1.00 0.00 WAT +ATOM 10386 H1 TIP3 1359 -22.718 -10.091 -26.291 1.00 0.00 WAT +ATOM 10387 H2 TIP3 1359 -22.430 -10.114 -24.805 1.00 0.00 WAT +ATOM 10388 OH2 TIP3 1360 -19.176 -9.136 -30.015 1.00 0.00 WAT +ATOM 10389 H1 TIP3 1360 -19.475 -8.269 -30.341 1.00 0.00 WAT +ATOM 10390 H2 TIP3 1360 -18.214 -9.043 -30.171 1.00 0.00 WAT +ATOM 10391 OH2 TIP3 1361 -14.655 -7.830 -26.987 1.00 0.00 WAT +ATOM 10392 H1 TIP3 1361 -14.526 -7.981 -26.036 1.00 0.00 WAT +ATOM 10393 H2 TIP3 1361 -13.827 -7.367 -27.226 1.00 0.00 WAT +ATOM 10394 OH2 TIP3 1362 -12.363 -6.360 -27.745 1.00 0.00 WAT +ATOM 10395 H1 TIP3 1362 -11.679 -7.016 -27.945 1.00 0.00 WAT +ATOM 10396 H2 TIP3 1362 -12.069 -6.046 -26.866 1.00 0.00 WAT +ATOM 10397 OH2 TIP3 1363 -7.536 -23.763 -28.555 1.00 0.00 WAT +ATOM 10398 H1 TIP3 1363 -8.341 -23.562 -29.062 1.00 0.00 WAT +ATOM 10399 H2 TIP3 1363 -7.323 -24.661 -28.884 1.00 0.00 WAT +ATOM 10400 OH2 TIP3 1364 -21.820 -6.187 -29.670 1.00 0.00 WAT +ATOM 10401 H1 TIP3 1364 -22.421 -5.541 -30.087 1.00 0.00 WAT +ATOM 10402 H2 TIP3 1364 -22.091 -6.104 -28.745 1.00 0.00 WAT +ATOM 10403 OH2 TIP3 1365 -19.309 -6.400 -31.117 1.00 0.00 WAT +ATOM 10404 H1 TIP3 1365 -20.159 -6.210 -30.672 1.00 0.00 WAT +ATOM 10405 H2 TIP3 1365 -19.273 -5.700 -31.793 1.00 0.00 WAT +ATOM 10406 OH2 TIP3 1366 -14.556 -6.399 -31.557 1.00 0.00 WAT +ATOM 10407 H1 TIP3 1366 -14.939 -5.936 -32.322 1.00 0.00 WAT +ATOM 10408 H2 TIP3 1366 -14.476 -5.670 -30.911 1.00 0.00 WAT +ATOM 10409 OH2 TIP3 1367 -12.221 -7.686 -30.646 1.00 0.00 WAT +ATOM 10410 H1 TIP3 1367 -13.070 -7.320 -30.958 1.00 0.00 WAT +ATOM 10411 H2 TIP3 1367 -11.664 -6.895 -30.632 1.00 0.00 WAT +ATOM 10412 OH2 TIP3 1368 -9.694 -5.953 -30.442 1.00 0.00 WAT +ATOM 10413 H1 TIP3 1368 -9.738 -4.999 -30.649 1.00 0.00 WAT +ATOM 10414 H2 TIP3 1368 -9.410 -6.310 -31.299 1.00 0.00 WAT +ATOM 10415 OH2 TIP3 1369 -22.207 -7.381 -32.727 1.00 0.00 WAT +ATOM 10416 H1 TIP3 1369 -22.228 -7.844 -31.862 1.00 0.00 WAT +ATOM 10417 H2 TIP3 1369 -21.438 -7.814 -33.147 1.00 0.00 WAT +ATOM 10418 OH2 TIP3 1370 -20.186 -8.624 -34.296 1.00 0.00 WAT +ATOM 10419 H1 TIP3 1370 -20.347 -9.549 -34.014 1.00 0.00 WAT +ATOM 10420 H2 TIP3 1370 -19.281 -8.469 -33.960 1.00 0.00 WAT +ATOM 10421 OH2 TIP3 1371 -17.440 -8.164 -33.399 1.00 0.00 WAT +ATOM 10422 H1 TIP3 1371 -17.252 -9.098 -33.603 1.00 0.00 WAT +ATOM 10423 H2 TIP3 1371 -17.369 -8.181 -32.431 1.00 0.00 WAT +ATOM 10424 OH2 TIP3 1372 -14.111 -22.267 -34.090 1.00 0.00 WAT +ATOM 10425 H1 TIP3 1372 -14.801 -22.942 -33.941 1.00 0.00 WAT +ATOM 10426 H2 TIP3 1372 -13.516 -22.726 -34.703 1.00 0.00 WAT +ATOM 10427 OH2 TIP3 1373 -9.162 -24.249 -33.625 1.00 0.00 WAT +ATOM 10428 H1 TIP3 1373 -8.407 -23.800 -34.045 1.00 0.00 WAT +ATOM 10429 H2 TIP3 1373 -9.911 -23.955 -34.171 1.00 0.00 WAT +ATOM 10430 OH2 TIP3 1374 -7.074 -23.154 -35.749 1.00 0.00 WAT +ATOM 10431 H1 TIP3 1374 -6.366 -23.551 -36.285 1.00 0.00 WAT +ATOM 10432 H2 TIP3 1374 -6.767 -22.229 -35.668 1.00 0.00 WAT +ATOM 10433 OH2 TIP3 1375 -21.759 -23.551 -36.524 1.00 0.00 WAT +ATOM 10434 H1 TIP3 1375 -22.619 -23.689 -36.969 1.00 0.00 WAT +ATOM 10435 H2 TIP3 1375 -21.332 -24.414 -36.681 1.00 0.00 WAT +ATOM 10436 OH2 TIP3 1376 -23.037 -23.975 -40.842 1.00 0.00 WAT +ATOM 10437 H1 TIP3 1376 -22.364 -23.391 -41.260 1.00 0.00 WAT +ATOM 10438 H2 TIP3 1376 -23.276 -23.460 -40.057 1.00 0.00 WAT +ATOM 10439 OH2 TIP3 1377 -17.290 -23.712 -36.654 1.00 0.00 WAT +ATOM 10440 H1 TIP3 1377 -16.371 -23.428 -36.791 1.00 0.00 WAT +ATOM 10441 H2 TIP3 1377 -17.312 -23.823 -35.697 1.00 0.00 WAT +ATOM 10442 OH2 TIP3 1378 -11.668 -23.690 -35.235 1.00 0.00 WAT +ATOM 10443 H1 TIP3 1378 -11.448 -23.827 -36.168 1.00 0.00 WAT +ATOM 10444 H2 TIP3 1378 -12.080 -24.543 -35.000 1.00 0.00 WAT +ATOM 10445 OH2 TIP3 1379 -10.657 -23.649 -39.141 1.00 0.00 WAT +ATOM 10446 H1 TIP3 1379 -11.446 -23.192 -39.476 1.00 0.00 WAT +ATOM 10447 H2 TIP3 1379 -10.924 -24.576 -39.282 1.00 0.00 WAT +ATOM 10448 OH2 TIP3 1380 -22.879 -8.097 -39.672 1.00 0.00 WAT +ATOM 10449 H1 TIP3 1380 -23.611 -8.110 -40.312 1.00 0.00 WAT +ATOM 10450 H2 TIP3 1380 -22.893 -7.172 -39.399 1.00 0.00 WAT +ATOM 10451 OH2 TIP3 1381 -21.291 -22.247 -42.228 1.00 0.00 WAT +ATOM 10452 H1 TIP3 1381 -20.801 -22.841 -42.810 1.00 0.00 WAT +ATOM 10453 H2 TIP3 1381 -20.567 -21.815 -41.742 1.00 0.00 WAT +ATOM 10454 OH2 TIP3 1382 -16.161 -22.074 -39.590 1.00 0.00 WAT +ATOM 10455 H1 TIP3 1382 -15.783 -22.631 -38.894 1.00 0.00 WAT +ATOM 10456 H2 TIP3 1382 -15.920 -21.197 -39.256 1.00 0.00 WAT +ATOM 10457 OH2 TIP3 1383 -14.122 -6.465 -41.461 1.00 0.00 WAT +ATOM 10458 H1 TIP3 1383 -13.149 -6.337 -41.490 1.00 0.00 WAT +ATOM 10459 H2 TIP3 1383 -14.228 -7.074 -42.214 1.00 0.00 WAT +ATOM 10460 OH2 TIP3 1384 -7.475 -7.272 -38.855 1.00 0.00 WAT +ATOM 10461 H1 TIP3 1384 -7.791 -8.106 -39.259 1.00 0.00 WAT +ATOM 10462 H2 TIP3 1384 -7.723 -6.612 -39.533 1.00 0.00 WAT +ATOM 10463 OH2 TIP3 1385 -21.934 -23.321 -27.025 1.00 0.00 WAT +ATOM 10464 H1 TIP3 1385 -22.365 -24.112 -26.654 1.00 0.00 WAT +ATOM 10465 H2 TIP3 1385 -21.023 -23.451 -26.714 1.00 0.00 WAT +ATOM 10466 OH2 TIP3 1386 -19.577 -23.933 -25.273 1.00 0.00 WAT +ATOM 10467 H1 TIP3 1386 -18.761 -24.299 -25.668 1.00 0.00 WAT +ATOM 10468 H2 TIP3 1386 -19.935 -24.720 -24.828 1.00 0.00 WAT +ATOM 10469 OH2 TIP3 1387 -20.879 -7.023 -42.321 1.00 0.00 WAT +ATOM 10470 H1 TIP3 1387 -21.303 -6.790 -41.486 1.00 0.00 WAT +ATOM 10471 H2 TIP3 1387 -20.250 -7.706 -42.069 1.00 0.00 WAT +ATOM 10472 OH2 TIP3 1388 -11.461 -24.837 -25.086 1.00 0.00 WAT +ATOM 10473 H1 TIP3 1388 -11.432 -25.245 -24.197 1.00 0.00 WAT +ATOM 10474 H2 TIP3 1388 -10.521 -24.866 -25.341 1.00 0.00 WAT +ATOM 10475 OH2 TIP3 1389 -8.080 -8.487 -26.403 1.00 0.00 WAT +ATOM 10476 H1 TIP3 1389 -8.822 -8.680 -27.004 1.00 0.00 WAT +ATOM 10477 H2 TIP3 1389 -8.258 -7.550 -26.193 1.00 0.00 WAT +ATOM 10478 OH2 TIP3 1390 6.109 -14.816 -36.272 1.00 0.00 WAT +ATOM 10479 H1 TIP3 1390 6.095 -13.851 -36.174 1.00 0.00 WAT +ATOM 10480 H2 TIP3 1390 5.364 -14.958 -36.875 1.00 0.00 WAT +ATOM 10481 OH2 TIP3 1391 4.960 -15.363 -33.194 1.00 0.00 WAT +ATOM 10482 H1 TIP3 1391 4.951 -15.932 -32.407 1.00 0.00 WAT +ATOM 10483 H2 TIP3 1391 4.697 -15.984 -33.889 1.00 0.00 WAT +ATOM 10484 OH2 TIP3 1392 -2.563 -15.773 -31.518 1.00 0.00 WAT +ATOM 10485 H1 TIP3 1392 -2.577 -16.523 -30.894 1.00 0.00 WAT +ATOM 10486 H2 TIP3 1392 -1.855 -15.232 -31.137 1.00 0.00 WAT +ATOM 10487 OH2 TIP3 1393 8.656 -12.623 -34.881 1.00 0.00 WAT +ATOM 10488 H1 TIP3 1393 8.268 -13.339 -34.361 1.00 0.00 WAT +ATOM 10489 H2 TIP3 1393 8.922 -12.006 -34.185 1.00 0.00 WAT +ATOM 10490 OH2 TIP3 1394 -1.910 -11.136 -33.053 1.00 0.00 WAT +ATOM 10491 H1 TIP3 1394 -2.145 -12.058 -33.292 1.00 0.00 WAT +ATOM 10492 H2 TIP3 1394 -0.987 -11.267 -32.788 1.00 0.00 WAT +ATOM 10493 OH2 TIP3 1395 -4.903 -17.744 -37.638 1.00 0.00 WAT +ATOM 10494 H1 TIP3 1395 -5.311 -16.872 -37.521 1.00 0.00 WAT +ATOM 10495 H2 TIP3 1395 -5.615 -18.236 -38.069 1.00 0.00 WAT +ATOM 10496 OH2 TIP3 1396 -4.108 -15.290 -35.794 1.00 0.00 WAT +ATOM 10497 H1 TIP3 1396 -3.959 -16.117 -35.297 1.00 0.00 WAT +ATOM 10498 H2 TIP3 1396 -3.261 -15.185 -36.249 1.00 0.00 WAT +ATOM 10499 OH2 TIP3 1397 5.712 -7.258 -34.319 1.00 0.00 WAT +ATOM 10500 H1 TIP3 1397 6.287 -7.985 -34.631 1.00 0.00 WAT +ATOM 10501 H2 TIP3 1397 5.428 -7.587 -33.457 1.00 0.00 WAT +ATOM 10502 OH2 TIP3 1398 3.449 -12.855 -32.640 1.00 0.00 WAT +ATOM 10503 H1 TIP3 1398 3.774 -13.579 -33.205 1.00 0.00 WAT +ATOM 10504 H2 TIP3 1398 4.258 -12.705 -32.113 1.00 0.00 WAT +ATOM 10505 OH2 TIP3 1399 12.073 -21.330 -32.053 1.00 0.00 WAT +ATOM 10506 H1 TIP3 1399 12.272 -20.819 -31.240 1.00 0.00 WAT +ATOM 10507 H2 TIP3 1399 12.746 -20.986 -32.663 1.00 0.00 WAT +ATOM 10508 OH2 TIP3 1400 6.748 -18.517 -32.134 1.00 0.00 WAT +ATOM 10509 H1 TIP3 1400 6.883 -19.477 -32.059 1.00 0.00 WAT +ATOM 10510 H2 TIP3 1400 6.653 -18.411 -33.094 1.00 0.00 WAT +ATOM 10511 OH2 TIP3 1401 -0.284 -20.519 -35.047 1.00 0.00 WAT +ATOM 10512 H1 TIP3 1401 -0.131 -19.662 -35.492 1.00 0.00 WAT +ATOM 10513 H2 TIP3 1401 -0.640 -21.032 -35.796 1.00 0.00 WAT +ATOM 10514 OH2 TIP3 1402 7.544 -20.359 -36.718 1.00 0.00 WAT +ATOM 10515 H1 TIP3 1402 8.153 -20.787 -36.081 1.00 0.00 WAT +ATOM 10516 H2 TIP3 1402 8.170 -19.914 -37.308 1.00 0.00 WAT +ATOM 10517 OH2 TIP3 1403 -3.594 -17.786 -34.538 1.00 0.00 WAT +ATOM 10518 H1 TIP3 1403 -2.959 -18.249 -33.968 1.00 0.00 WAT +ATOM 10519 H2 TIP3 1403 -3.496 -18.276 -35.374 1.00 0.00 WAT +ATOM 10520 OH2 TIP3 1404 1.783 -16.394 -35.079 1.00 0.00 WAT +ATOM 10521 H1 TIP3 1404 2.497 -16.938 -34.692 1.00 0.00 WAT +ATOM 10522 H2 TIP3 1404 1.291 -17.064 -35.588 1.00 0.00 WAT +ATOM 10523 OH2 TIP3 1405 12.546 -20.246 -29.573 1.00 0.00 WAT +ATOM 10524 H1 TIP3 1405 12.163 -19.358 -29.682 1.00 0.00 WAT +ATOM 10525 H2 TIP3 1405 12.943 -20.195 -28.695 1.00 0.00 WAT +ATOM 10526 OH2 TIP3 1406 -1.487 -21.736 -30.891 1.00 0.00 WAT +ATOM 10527 H1 TIP3 1406 -1.884 -21.220 -31.608 1.00 0.00 WAT +ATOM 10528 H2 TIP3 1406 -2.138 -21.584 -30.176 1.00 0.00 WAT +ATOM 10529 OH2 TIP3 1407 6.031 -11.946 -37.500 1.00 0.00 WAT +ATOM 10530 H1 TIP3 1407 5.701 -12.217 -38.360 1.00 0.00 WAT +ATOM 10531 H2 TIP3 1407 5.547 -11.119 -37.333 1.00 0.00 WAT +ATOM 10532 OH2 TIP3 1408 1.446 -13.837 -30.771 1.00 0.00 WAT +ATOM 10533 H1 TIP3 1408 0.710 -13.240 -30.518 1.00 0.00 WAT +ATOM 10534 H2 TIP3 1408 2.073 -13.223 -31.194 1.00 0.00 WAT +ATOM 10535 OH2 TIP3 1409 9.447 -21.120 -34.691 1.00 0.00 WAT +ATOM 10536 H1 TIP3 1409 8.986 -21.682 -34.054 1.00 0.00 WAT +ATOM 10537 H2 TIP3 1409 9.914 -20.501 -34.103 1.00 0.00 WAT +ATOM 10538 OH2 TIP3 1410 -1.883 -19.679 -32.946 1.00 0.00 WAT +ATOM 10539 H1 TIP3 1410 -1.237 -19.107 -32.477 1.00 0.00 WAT +ATOM 10540 H2 TIP3 1410 -1.307 -20.041 -33.655 1.00 0.00 WAT +ATOM 10541 OH2 TIP3 1411 -0.568 -11.954 -30.074 1.00 0.00 WAT +ATOM 10542 H1 TIP3 1411 -0.588 -11.007 -30.305 1.00 0.00 WAT +ATOM 10543 H2 TIP3 1411 -1.416 -12.037 -29.601 1.00 0.00 WAT +ATOM 10544 OH2 TIP3 1412 -4.259 -12.256 -39.194 1.00 0.00 WAT +ATOM 10545 H1 TIP3 1412 -4.458 -11.795 -40.028 1.00 0.00 WAT +ATOM 10546 H2 TIP3 1412 -4.088 -11.529 -38.560 1.00 0.00 WAT +ATOM 10547 OH2 TIP3 1413 9.211 -10.819 -32.380 1.00 0.00 WAT +ATOM 10548 H1 TIP3 1413 8.240 -10.708 -32.350 1.00 0.00 WAT +ATOM 10549 H2 TIP3 1413 9.476 -9.957 -32.749 1.00 0.00 WAT +ATOM 10550 OH2 TIP3 1414 9.512 -21.984 -30.871 1.00 0.00 WAT +ATOM 10551 H1 TIP3 1414 8.756 -21.563 -31.319 1.00 0.00 WAT +ATOM 10552 H2 TIP3 1414 10.256 -21.753 -31.459 1.00 0.00 WAT +ATOM 10553 OH2 TIP3 1415 2.654 -24.225 -33.820 1.00 0.00 WAT +ATOM 10554 H1 TIP3 1415 2.437 -25.174 -33.851 1.00 0.00 WAT +ATOM 10555 H2 TIP3 1415 1.838 -23.847 -33.429 1.00 0.00 WAT +ATOM 10556 OH2 TIP3 1416 7.499 -8.879 -35.814 1.00 0.00 WAT +ATOM 10557 H1 TIP3 1416 7.972 -9.674 -36.131 1.00 0.00 WAT +ATOM 10558 H2 TIP3 1416 8.181 -8.192 -35.934 1.00 0.00 WAT +ATOM 10559 OH2 TIP3 1417 8.951 -11.003 -37.202 1.00 0.00 WAT +ATOM 10560 H1 TIP3 1417 8.446 -11.475 -37.880 1.00 0.00 WAT +ATOM 10561 H2 TIP3 1417 8.905 -11.641 -36.464 1.00 0.00 WAT +ATOM 10562 OH2 TIP3 1418 10.502 -12.221 -28.707 1.00 0.00 WAT +ATOM 10563 H1 TIP3 1418 10.387 -12.847 -29.446 1.00 0.00 WAT +ATOM 10564 H2 TIP3 1418 10.609 -11.373 -29.177 1.00 0.00 WAT +ATOM 10565 OH2 TIP3 1419 4.809 -15.253 -39.015 1.00 0.00 WAT +ATOM 10566 H1 TIP3 1419 4.134 -14.707 -39.453 1.00 0.00 WAT +ATOM 10567 H2 TIP3 1419 5.502 -15.299 -39.695 1.00 0.00 WAT +ATOM 10568 OH2 TIP3 1420 5.264 -17.576 -41.552 1.00 0.00 WAT +ATOM 10569 H1 TIP3 1420 5.911 -16.877 -41.375 1.00 0.00 WAT +ATOM 10570 H2 TIP3 1420 5.210 -17.508 -42.521 1.00 0.00 WAT +ATOM 10571 OH2 TIP3 1421 12.282 -16.006 -30.777 1.00 0.00 WAT +ATOM 10572 H1 TIP3 1421 11.552 -15.364 -30.690 1.00 0.00 WAT +ATOM 10573 H2 TIP3 1421 12.760 -15.648 -31.548 1.00 0.00 WAT +ATOM 10574 OH2 TIP3 1422 8.295 -15.257 -37.927 1.00 0.00 WAT +ATOM 10575 H1 TIP3 1422 7.578 -15.070 -37.280 1.00 0.00 WAT +ATOM 10576 H2 TIP3 1422 8.840 -15.880 -37.416 1.00 0.00 WAT +ATOM 10577 OH2 TIP3 1423 8.119 -16.728 -29.088 1.00 0.00 WAT +ATOM 10578 H1 TIP3 1423 8.141 -15.903 -28.577 1.00 0.00 WAT +ATOM 10579 H2 TIP3 1423 7.458 -16.469 -29.756 1.00 0.00 WAT +ATOM 10580 OH2 TIP3 1424 -0.140 -14.521 -36.157 1.00 0.00 WAT +ATOM 10581 H1 TIP3 1424 -0.441 -14.962 -36.976 1.00 0.00 WAT +ATOM 10582 H2 TIP3 1424 0.516 -15.156 -35.817 1.00 0.00 WAT +ATOM 10583 OH2 TIP3 1425 1.243 -11.099 -33.432 1.00 0.00 WAT +ATOM 10584 H1 TIP3 1425 1.130 -11.520 -34.295 1.00 0.00 WAT +ATOM 10585 H2 TIP3 1425 2.025 -11.572 -33.086 1.00 0.00 WAT +ATOM 10586 OH2 TIP3 1426 0.447 -15.704 -32.668 1.00 0.00 WAT +ATOM 10587 H1 TIP3 1426 1.026 -15.680 -33.455 1.00 0.00 WAT +ATOM 10588 H2 TIP3 1426 0.855 -15.040 -32.080 1.00 0.00 WAT +ATOM 10589 OH2 TIP3 1427 6.420 -10.201 -32.088 1.00 0.00 WAT +ATOM 10590 H1 TIP3 1427 6.420 -9.525 -31.389 1.00 0.00 WAT +ATOM 10591 H2 TIP3 1427 6.168 -11.015 -31.618 1.00 0.00 WAT +ATOM 10592 OH2 TIP3 1428 1.300 -11.325 -27.812 1.00 0.00 WAT +ATOM 10593 H1 TIP3 1428 0.782 -10.642 -27.341 1.00 0.00 WAT +ATOM 10594 H2 TIP3 1428 0.666 -11.604 -28.496 1.00 0.00 WAT +ATOM 10595 OH2 TIP3 1429 7.330 -15.781 -40.562 1.00 0.00 WAT +ATOM 10596 H1 TIP3 1429 7.802 -15.549 -39.738 1.00 0.00 WAT +ATOM 10597 H2 TIP3 1429 7.911 -15.393 -41.242 1.00 0.00 WAT +ATOM 10598 OH2 TIP3 1430 -1.802 -14.871 -28.717 1.00 0.00 WAT +ATOM 10599 H1 TIP3 1430 -1.715 -14.439 -27.852 1.00 0.00 WAT +ATOM 10600 H2 TIP3 1430 -2.748 -15.099 -28.741 1.00 0.00 WAT +ATOM 10601 OH2 TIP3 1431 4.677 -9.228 -36.959 1.00 0.00 WAT +ATOM 10602 H1 TIP3 1431 5.175 -8.980 -36.170 1.00 0.00 WAT +ATOM 10603 H2 TIP3 1431 4.202 -8.415 -37.184 1.00 0.00 WAT +ATOM 10604 OH2 TIP3 1432 -0.487 -9.272 -26.881 1.00 0.00 WAT +ATOM 10605 H1 TIP3 1432 -0.619 -9.039 -27.811 1.00 0.00 WAT +ATOM 10606 H2 TIP3 1432 -1.391 -9.375 -26.537 1.00 0.00 WAT +ATOM 10607 OH2 TIP3 1433 10.792 -24.088 -40.581 1.00 0.00 WAT +ATOM 10608 H1 TIP3 1433 9.834 -23.986 -40.434 1.00 0.00 WAT +ATOM 10609 H2 TIP3 1433 11.014 -23.236 -40.982 1.00 0.00 WAT +ATOM 10610 OH2 TIP3 1434 -1.221 -15.769 -38.604 1.00 0.00 WAT +ATOM 10611 H1 TIP3 1434 -1.426 -15.029 -39.201 1.00 0.00 WAT +ATOM 10612 H2 TIP3 1434 -1.872 -16.429 -38.876 1.00 0.00 WAT +ATOM 10613 OH2 TIP3 1435 11.803 -9.836 -42.515 1.00 0.00 WAT +ATOM 10614 H1 TIP3 1435 12.129 -9.051 -42.047 1.00 0.00 WAT +ATOM 10615 H2 TIP3 1435 12.535 -10.470 -42.422 1.00 0.00 WAT +ATOM 10616 OH2 TIP3 1436 -5.150 -13.106 -29.900 1.00 0.00 WAT +ATOM 10617 H1 TIP3 1436 -5.593 -13.119 -30.771 1.00 0.00 WAT +ATOM 10618 H2 TIP3 1436 -5.009 -14.056 -29.730 1.00 0.00 WAT +ATOM 10619 OH2 TIP3 1437 -5.090 -10.158 -32.977 1.00 0.00 WAT +ATOM 10620 H1 TIP3 1437 -4.174 -10.468 -32.919 1.00 0.00 WAT +ATOM 10621 H2 TIP3 1437 -5.143 -9.580 -32.203 1.00 0.00 WAT +ATOM 10622 OH2 TIP3 1438 13.269 -9.568 -27.188 1.00 0.00 WAT +ATOM 10623 H1 TIP3 1438 13.167 -10.521 -27.369 1.00 0.00 WAT +ATOM 10624 H2 TIP3 1438 12.360 -9.336 -26.902 1.00 0.00 WAT +ATOM 10625 OH2 TIP3 1439 3.925 -10.255 -28.389 1.00 0.00 WAT +ATOM 10626 H1 TIP3 1439 4.015 -9.505 -27.766 1.00 0.00 WAT +ATOM 10627 H2 TIP3 1439 3.037 -10.592 -28.158 1.00 0.00 WAT +ATOM 10628 OH2 TIP3 1440 4.211 -6.529 -38.469 1.00 0.00 WAT +ATOM 10629 H1 TIP3 1440 4.247 -6.426 -39.435 1.00 0.00 WAT +ATOM 10630 H2 TIP3 1440 4.297 -5.618 -38.148 1.00 0.00 WAT +ATOM 10631 OH2 TIP3 1441 -1.992 -7.393 -36.798 1.00 0.00 WAT +ATOM 10632 H1 TIP3 1441 -1.791 -7.827 -35.942 1.00 0.00 WAT +ATOM 10633 H2 TIP3 1441 -2.833 -7.816 -37.017 1.00 0.00 WAT +ATOM 10634 OH2 TIP3 1442 7.471 -6.908 -41.351 1.00 0.00 WAT +ATOM 10635 H1 TIP3 1442 7.915 -7.489 -42.007 1.00 0.00 WAT +ATOM 10636 H2 TIP3 1442 7.503 -7.462 -40.554 1.00 0.00 WAT +ATOM 10637 OH2 TIP3 1443 6.962 -7.638 -38.601 1.00 0.00 WAT +ATOM 10638 H1 TIP3 1443 6.022 -7.507 -38.392 1.00 0.00 WAT +ATOM 10639 H2 TIP3 1443 7.185 -8.351 -37.983 1.00 0.00 WAT +ATOM 10640 OH2 TIP3 1444 10.058 -18.215 -26.780 1.00 0.00 WAT +ATOM 10641 H1 TIP3 1444 9.591 -17.818 -27.527 1.00 0.00 WAT +ATOM 10642 H2 TIP3 1444 10.068 -19.160 -27.039 1.00 0.00 WAT +ATOM 10643 OH2 TIP3 1445 -2.977 -11.581 -28.573 1.00 0.00 WAT +ATOM 10644 H1 TIP3 1445 -2.645 -12.101 -27.819 1.00 0.00 WAT +ATOM 10645 H2 TIP3 1445 -3.666 -12.152 -28.958 1.00 0.00 WAT +ATOM 10646 OH2 TIP3 1446 0.236 -23.097 -32.885 1.00 0.00 WAT +ATOM 10647 H1 TIP3 1446 -0.591 -23.146 -33.398 1.00 0.00 WAT +ATOM 10648 H2 TIP3 1446 0.027 -22.350 -32.302 1.00 0.00 WAT +ATOM 10649 OH2 TIP3 1447 4.607 -23.518 -29.252 1.00 0.00 WAT +ATOM 10650 H1 TIP3 1447 5.138 -24.029 -28.610 1.00 0.00 WAT +ATOM 10651 H2 TIP3 1447 3.704 -23.858 -29.111 1.00 0.00 WAT +ATOM 10652 OH2 TIP3 1448 7.708 -19.694 -28.783 1.00 0.00 WAT +ATOM 10653 H1 TIP3 1448 7.163 -19.867 -27.993 1.00 0.00 WAT +ATOM 10654 H2 TIP3 1448 7.687 -18.725 -28.863 1.00 0.00 WAT +ATOM 10655 OH2 TIP3 1449 9.609 -15.026 -42.610 1.00 0.00 WAT +ATOM 10656 H1 TIP3 1449 9.012 -15.149 -43.366 1.00 0.00 WAT +ATOM 10657 H2 TIP3 1449 9.915 -14.125 -42.772 1.00 0.00 WAT +ATOM 10658 OH2 TIP3 1450 4.466 -21.206 -42.167 1.00 0.00 WAT +ATOM 10659 H1 TIP3 1450 3.896 -20.998 -41.420 1.00 0.00 WAT +ATOM 10660 H2 TIP3 1450 3.935 -21.847 -42.651 1.00 0.00 WAT +ATOM 10661 OH2 TIP3 1451 0.078 -18.301 -31.498 1.00 0.00 WAT +ATOM 10662 H1 TIP3 1451 -0.444 -18.167 -30.689 1.00 0.00 WAT +ATOM 10663 H2 TIP3 1451 0.172 -17.386 -31.837 1.00 0.00 WAT +ATOM 10664 OH2 TIP3 1452 0.041 -18.222 -36.603 1.00 0.00 WAT +ATOM 10665 H1 TIP3 1452 -0.912 -18.325 -36.773 1.00 0.00 WAT +ATOM 10666 H2 TIP3 1452 0.400 -18.409 -37.495 1.00 0.00 WAT +ATOM 10667 OH2 TIP3 1453 5.725 -17.672 -37.860 1.00 0.00 WAT +ATOM 10668 H1 TIP3 1453 5.311 -16.857 -38.212 1.00 0.00 WAT +ATOM 10669 H2 TIP3 1453 6.325 -17.905 -38.595 1.00 0.00 WAT +ATOM 10670 OH2 TIP3 1454 4.859 -17.499 -26.517 1.00 0.00 WAT +ATOM 10671 H1 TIP3 1454 4.322 -18.224 -26.137 1.00 0.00 WAT +ATOM 10672 H2 TIP3 1454 5.718 -17.631 -26.080 1.00 0.00 WAT +ATOM 10673 OH2 TIP3 1455 6.495 -18.267 -35.060 1.00 0.00 WAT +ATOM 10674 H1 TIP3 1455 6.224 -17.694 -35.806 1.00 0.00 WAT +ATOM 10675 H2 TIP3 1455 6.710 -19.078 -35.564 1.00 0.00 WAT +ATOM 10676 OH2 TIP3 1456 -2.612 -18.111 -29.621 1.00 0.00 WAT +ATOM 10677 H1 TIP3 1456 -2.227 -17.845 -28.777 1.00 0.00 WAT +ATOM 10678 H2 TIP3 1456 -2.907 -19.017 -29.425 1.00 0.00 WAT +ATOM 10679 OH2 TIP3 1457 1.119 -20.812 -43.167 1.00 0.00 WAT +ATOM 10680 H1 TIP3 1457 0.810 -20.998 -42.260 1.00 0.00 WAT +ATOM 10681 H2 TIP3 1457 0.402 -20.235 -43.489 1.00 0.00 WAT +ATOM 10682 OH2 TIP3 1458 -5.719 -20.664 -36.004 1.00 0.00 WAT +ATOM 10683 H1 TIP3 1458 -5.101 -20.693 -35.250 1.00 0.00 WAT +ATOM 10684 H2 TIP3 1458 -5.210 -21.052 -36.733 1.00 0.00 WAT +ATOM 10685 OH2 TIP3 1459 -4.142 -20.236 -40.384 1.00 0.00 WAT +ATOM 10686 H1 TIP3 1459 -3.578 -19.748 -41.018 1.00 0.00 WAT +ATOM 10687 H2 TIP3 1459 -4.815 -19.565 -40.174 1.00 0.00 WAT +ATOM 10688 OH2 TIP3 1460 5.611 -16.583 -30.570 1.00 0.00 WAT +ATOM 10689 H1 TIP3 1460 6.042 -17.306 -31.082 1.00 0.00 WAT +ATOM 10690 H2 TIP3 1460 5.271 -17.065 -29.804 1.00 0.00 WAT +ATOM 10691 OH2 TIP3 1461 2.808 -20.645 -35.567 1.00 0.00 WAT +ATOM 10692 H1 TIP3 1461 1.864 -20.668 -35.338 1.00 0.00 WAT +ATOM 10693 H2 TIP3 1461 3.224 -20.820 -34.707 1.00 0.00 WAT +ATOM 10694 OH2 TIP3 1462 -2.630 -19.414 -36.889 1.00 0.00 WAT +ATOM 10695 H1 TIP3 1462 -3.441 -19.142 -37.355 1.00 0.00 WAT +ATOM 10696 H2 TIP3 1462 -2.332 -20.195 -37.392 1.00 0.00 WAT +ATOM 10697 OH2 TIP3 1463 0.984 -18.987 -39.214 1.00 0.00 WAT +ATOM 10698 H1 TIP3 1463 1.958 -18.984 -39.167 1.00 0.00 WAT +ATOM 10699 H2 TIP3 1463 0.787 -18.432 -39.987 1.00 0.00 WAT +ATOM 10700 OH2 TIP3 1464 7.192 -21.480 -32.573 1.00 0.00 WAT +ATOM 10701 H1 TIP3 1464 6.569 -21.483 -31.813 1.00 0.00 WAT +ATOM 10702 H2 TIP3 1464 6.600 -21.818 -33.266 1.00 0.00 WAT +ATOM 10703 OH2 TIP3 1465 -0.479 -17.858 -41.585 1.00 0.00 WAT +ATOM 10704 H1 TIP3 1465 -1.031 -18.401 -42.169 1.00 0.00 WAT +ATOM 10705 H2 TIP3 1465 0.318 -17.688 -42.119 1.00 0.00 WAT +ATOM 10706 OH2 TIP3 1466 10.233 -5.683 -25.844 1.00 0.00 WAT +ATOM 10707 H1 TIP3 1466 10.399 -5.275 -26.711 1.00 0.00 WAT +ATOM 10708 H2 TIP3 1466 10.998 -5.365 -25.334 1.00 0.00 WAT +ATOM 10709 OH2 TIP3 1467 -1.716 -13.064 -26.261 1.00 0.00 WAT +ATOM 10710 H1 TIP3 1467 -1.090 -12.885 -25.543 1.00 0.00 WAT +ATOM 10711 H2 TIP3 1467 -2.552 -13.123 -25.764 1.00 0.00 WAT +ATOM 10712 OH2 TIP3 1468 3.819 -18.091 -33.749 1.00 0.00 WAT +ATOM 10713 H1 TIP3 1468 4.561 -18.511 -34.210 1.00 0.00 WAT +ATOM 10714 H2 TIP3 1468 3.669 -18.702 -33.001 1.00 0.00 WAT +ATOM 10715 OH2 TIP3 1469 -0.866 -21.662 -37.624 1.00 0.00 WAT +ATOM 10716 H1 TIP3 1469 -1.403 -22.456 -37.469 1.00 0.00 WAT +ATOM 10717 H2 TIP3 1469 -0.037 -22.031 -37.962 1.00 0.00 WAT +ATOM 10718 OH2 TIP3 1470 2.788 -19.634 -31.504 1.00 0.00 WAT +ATOM 10719 H1 TIP3 1470 2.023 -19.037 -31.485 1.00 0.00 WAT +ATOM 10720 H2 TIP3 1470 3.284 -19.384 -30.697 1.00 0.00 WAT +ATOM 10721 OH2 TIP3 1471 2.902 -13.195 -39.617 1.00 0.00 WAT +ATOM 10722 H1 TIP3 1471 2.163 -13.740 -39.955 1.00 0.00 WAT +ATOM 10723 H2 TIP3 1471 2.749 -13.201 -38.644 1.00 0.00 WAT +ATOM 10724 OH2 TIP3 1472 10.167 -14.084 -30.858 1.00 0.00 WAT +ATOM 10725 H1 TIP3 1472 10.654 -13.547 -31.520 1.00 0.00 WAT +ATOM 10726 H2 TIP3 1472 9.307 -14.205 -31.308 1.00 0.00 WAT +ATOM 10727 OH2 TIP3 1473 7.074 -20.556 -41.747 1.00 0.00 WAT +ATOM 10728 H1 TIP3 1473 6.104 -20.506 -41.893 1.00 0.00 WAT +ATOM 10729 H2 TIP3 1473 7.271 -19.675 -41.378 1.00 0.00 WAT +ATOM 10730 OH2 TIP3 1474 4.530 -13.232 -28.236 1.00 0.00 WAT +ATOM 10731 H1 TIP3 1474 4.218 -13.554 -27.376 1.00 0.00 WAT +ATOM 10732 H2 TIP3 1474 4.224 -12.315 -28.230 1.00 0.00 WAT +ATOM 10733 OH2 TIP3 1475 7.714 -18.619 -39.782 1.00 0.00 WAT +ATOM 10734 H1 TIP3 1475 8.626 -18.739 -39.466 1.00 0.00 WAT +ATOM 10735 H2 TIP3 1475 7.769 -17.814 -40.325 1.00 0.00 WAT +ATOM 10736 OH2 TIP3 1476 -1.932 -13.853 -33.790 1.00 0.00 WAT +ATOM 10737 H1 TIP3 1476 -1.361 -13.961 -34.569 1.00 0.00 WAT +ATOM 10738 H2 TIP3 1476 -1.813 -14.704 -33.337 1.00 0.00 WAT +ATOM 10739 OH2 TIP3 1477 5.375 -11.895 -40.694 1.00 0.00 WAT +ATOM 10740 H1 TIP3 1477 5.076 -11.025 -40.361 1.00 0.00 WAT +ATOM 10741 H2 TIP3 1477 4.629 -12.457 -40.416 1.00 0.00 WAT +ATOM 10742 OH2 TIP3 1478 -4.668 -15.570 -28.496 1.00 0.00 WAT +ATOM 10743 H1 TIP3 1478 -4.509 -16.015 -27.640 1.00 0.00 WAT +ATOM 10744 H2 TIP3 1478 -5.260 -16.187 -28.954 1.00 0.00 WAT +ATOM 10745 OH2 TIP3 1479 2.302 -16.085 -26.532 1.00 0.00 WAT +ATOM 10746 H1 TIP3 1479 2.024 -16.316 -27.432 1.00 0.00 WAT +ATOM 10747 H2 TIP3 1479 3.249 -16.305 -26.582 1.00 0.00 WAT +ATOM 10748 OH2 TIP3 1480 6.847 -10.621 -28.748 1.00 0.00 WAT +ATOM 10749 H1 TIP3 1480 5.884 -10.528 -28.840 1.00 0.00 WAT +ATOM 10750 H2 TIP3 1480 6.975 -10.380 -27.812 1.00 0.00 WAT +ATOM 10751 OH2 TIP3 1481 12.441 -18.518 -39.987 1.00 0.00 WAT +ATOM 10752 H1 TIP3 1481 11.810 -18.703 -40.712 1.00 0.00 WAT +ATOM 10753 H2 TIP3 1481 12.547 -17.565 -40.156 1.00 0.00 WAT +ATOM 10754 OH2 TIP3 1482 12.823 -12.508 -27.221 1.00 0.00 WAT +ATOM 10755 H1 TIP3 1482 11.879 -12.350 -27.435 1.00 0.00 WAT +ATOM 10756 H2 TIP3 1482 13.169 -12.740 -28.103 1.00 0.00 WAT +ATOM 10757 OH2 TIP3 1483 10.684 -9.959 -39.898 1.00 0.00 WAT +ATOM 10758 H1 TIP3 1483 10.333 -10.715 -39.404 1.00 0.00 WAT +ATOM 10759 H2 TIP3 1483 10.960 -10.367 -40.732 1.00 0.00 WAT +ATOM 10760 OH2 TIP3 1484 7.819 -14.647 -32.557 1.00 0.00 WAT +ATOM 10761 H1 TIP3 1484 6.885 -14.796 -32.797 1.00 0.00 WAT +ATOM 10762 H2 TIP3 1484 8.252 -15.366 -33.058 1.00 0.00 WAT +ATOM 10763 OH2 TIP3 1485 0.446 -10.575 -36.538 1.00 0.00 WAT +ATOM 10764 H1 TIP3 1485 0.879 -9.714 -36.649 1.00 0.00 WAT +ATOM 10765 H2 TIP3 1485 -0.471 -10.367 -36.754 1.00 0.00 WAT +ATOM 10766 OH2 TIP3 1486 -3.484 -15.646 -42.015 1.00 0.00 WAT +ATOM 10767 H1 TIP3 1486 -2.920 -15.016 -41.526 1.00 0.00 WAT +ATOM 10768 H2 TIP3 1486 -4.371 -15.452 -41.657 1.00 0.00 WAT +ATOM 10769 OH2 TIP3 1487 2.289 -12.871 -36.885 1.00 0.00 WAT +ATOM 10770 H1 TIP3 1487 1.971 -11.963 -36.758 1.00 0.00 WAT +ATOM 10771 H2 TIP3 1487 1.582 -13.379 -36.461 1.00 0.00 WAT +ATOM 10772 OH2 TIP3 1488 2.437 -8.618 -30.556 1.00 0.00 WAT +ATOM 10773 H1 TIP3 1488 3.005 -7.874 -30.817 1.00 0.00 WAT +ATOM 10774 H2 TIP3 1488 3.037 -9.120 -29.979 1.00 0.00 WAT +ATOM 10775 OH2 TIP3 1489 0.894 -7.660 -37.355 1.00 0.00 WAT +ATOM 10776 H1 TIP3 1489 -0.060 -7.526 -37.238 1.00 0.00 WAT +ATOM 10777 H2 TIP3 1489 1.248 -6.796 -37.074 1.00 0.00 WAT +ATOM 10778 OH2 TIP3 1490 5.855 -12.856 -30.972 1.00 0.00 WAT +ATOM 10779 H1 TIP3 1490 5.564 -13.135 -30.086 1.00 0.00 WAT +ATOM 10780 H2 TIP3 1490 6.584 -13.474 -31.147 1.00 0.00 WAT +ATOM 10781 OH2 TIP3 1491 8.073 -11.539 -41.924 1.00 0.00 WAT +ATOM 10782 H1 TIP3 1491 8.494 -12.038 -41.196 1.00 0.00 WAT +ATOM 10783 H2 TIP3 1491 7.141 -11.660 -41.681 1.00 0.00 WAT +ATOM 10784 OH2 TIP3 1492 8.813 -8.281 -28.577 1.00 0.00 WAT +ATOM 10785 H1 TIP3 1492 8.048 -8.754 -28.960 1.00 0.00 WAT +ATOM 10786 H2 TIP3 1492 8.875 -7.490 -29.144 1.00 0.00 WAT +ATOM 10787 OH2 TIP3 1493 12.917 -7.128 -41.590 1.00 0.00 WAT +ATOM 10788 H1 TIP3 1493 13.611 -6.449 -41.451 1.00 0.00 WAT +ATOM 10789 H2 TIP3 1493 12.115 -6.616 -41.356 1.00 0.00 WAT +ATOM 10790 OH2 TIP3 1494 -3.350 -20.926 -28.916 1.00 0.00 WAT +ATOM 10791 H1 TIP3 1494 -4.261 -20.666 -29.154 1.00 0.00 WAT +ATOM 10792 H2 TIP3 1494 -3.495 -21.789 -28.490 1.00 0.00 WAT +ATOM 10793 OH2 TIP3 1495 9.014 -12.954 -39.677 1.00 0.00 WAT +ATOM 10794 H1 TIP3 1495 8.723 -13.667 -39.079 1.00 0.00 WAT +ATOM 10795 H2 TIP3 1495 9.984 -13.009 -39.585 1.00 0.00 WAT +ATOM 10796 OH2 TIP3 1496 -3.583 -9.185 -30.497 1.00 0.00 WAT +ATOM 10797 H1 TIP3 1496 -3.277 -10.088 -30.330 1.00 0.00 WAT +ATOM 10798 H2 TIP3 1496 -3.362 -8.768 -29.655 1.00 0.00 WAT +ATOM 10799 OH2 TIP3 1497 2.534 -10.531 -43.240 1.00 0.00 WAT +ATOM 10800 H1 TIP3 1497 2.947 -11.345 -43.586 1.00 0.00 WAT +ATOM 10801 H2 TIP3 1497 1.966 -10.895 -42.536 1.00 0.00 WAT +ATOM 10802 OH2 TIP3 1498 1.001 -10.996 -40.692 1.00 0.00 WAT +ATOM 10803 H1 TIP3 1498 1.594 -11.550 -40.161 1.00 0.00 WAT +ATOM 10804 H2 TIP3 1498 1.289 -10.092 -40.465 1.00 0.00 WAT +ATOM 10805 OH2 TIP3 1499 -2.100 -13.628 -40.400 1.00 0.00 WAT +ATOM 10806 H1 TIP3 1499 -2.812 -13.203 -39.879 1.00 0.00 WAT +ATOM 10807 H2 TIP3 1499 -1.567 -12.857 -40.653 1.00 0.00 WAT +ATOM 10808 OH2 TIP3 1500 5.620 -21.100 -30.374 1.00 0.00 WAT +ATOM 10809 H1 TIP3 1500 6.230 -20.799 -29.683 1.00 0.00 WAT +ATOM 10810 H2 TIP3 1500 5.136 -21.829 -29.939 1.00 0.00 WAT +ATOM 10811 OH2 TIP3 1501 6.207 -21.568 -39.193 1.00 0.00 WAT +ATOM 10812 H1 TIP3 1501 6.450 -21.096 -40.014 1.00 0.00 WAT +ATOM 10813 H2 TIP3 1501 6.716 -21.075 -38.532 1.00 0.00 WAT +ATOM 10814 OH2 TIP3 1502 4.017 -9.399 -40.269 1.00 0.00 WAT +ATOM 10815 H1 TIP3 1502 3.249 -8.865 -40.020 1.00 0.00 WAT +ATOM 10816 H2 TIP3 1502 4.543 -8.764 -40.768 1.00 0.00 WAT +ATOM 10817 OH2 TIP3 1503 3.638 -19.644 -38.153 1.00 0.00 WAT +ATOM 10818 H1 TIP3 1503 4.432 -19.078 -38.059 1.00 0.00 WAT +ATOM 10819 H2 TIP3 1503 3.385 -19.790 -37.223 1.00 0.00 WAT +ATOM 10820 OH2 TIP3 1504 4.027 -18.755 -29.005 1.00 0.00 WAT +ATOM 10821 H1 TIP3 1504 4.075 -18.234 -28.185 1.00 0.00 WAT +ATOM 10822 H2 TIP3 1504 4.567 -19.522 -28.772 1.00 0.00 WAT +ATOM 10823 OH2 TIP3 1505 4.294 -22.614 -37.246 1.00 0.00 WAT +ATOM 10824 H1 TIP3 1505 4.091 -21.920 -36.591 1.00 0.00 WAT +ATOM 10825 H2 TIP3 1505 5.008 -22.180 -37.760 1.00 0.00 WAT +ATOM 10826 OH2 TIP3 1506 1.200 -8.195 -40.253 1.00 0.00 WAT +ATOM 10827 H1 TIP3 1506 1.267 -7.334 -40.711 1.00 0.00 WAT +ATOM 10828 H2 TIP3 1506 1.099 -7.933 -39.320 1.00 0.00 WAT +ATOM 10829 OH2 TIP3 1507 0.004 -21.543 -40.778 1.00 0.00 WAT +ATOM 10830 H1 TIP3 1507 -0.064 -20.826 -40.126 1.00 0.00 WAT +ATOM 10831 H2 TIP3 1507 0.767 -22.043 -40.429 1.00 0.00 WAT +ATOM 10832 OH2 TIP3 1508 10.197 -20.729 -27.991 1.00 0.00 WAT +ATOM 10833 H1 TIP3 1508 9.281 -20.637 -28.318 1.00 0.00 WAT +ATOM 10834 H2 TIP3 1508 10.653 -20.917 -28.828 1.00 0.00 WAT +ATOM 10835 OH2 TIP3 1509 8.817 -16.885 -34.095 1.00 0.00 WAT +ATOM 10836 H1 TIP3 1509 7.992 -17.336 -34.353 1.00 0.00 WAT +ATOM 10837 H2 TIP3 1509 9.296 -17.595 -33.613 1.00 0.00 WAT +ATOM 10838 OH2 TIP3 1510 -1.668 -10.644 -41.592 1.00 0.00 WAT +ATOM 10839 H1 TIP3 1510 -0.853 -10.384 -41.125 1.00 0.00 WAT +ATOM 10840 H2 TIP3 1510 -1.275 -11.194 -42.288 1.00 0.00 WAT +ATOM 10841 OH2 TIP3 1511 -3.427 -18.482 -42.539 1.00 0.00 WAT +ATOM 10842 H1 TIP3 1511 -3.274 -17.529 -42.388 1.00 0.00 WAT +ATOM 10843 H2 TIP3 1511 -4.336 -18.488 -42.883 1.00 0.00 WAT +ATOM 10844 OH2 TIP3 1512 9.841 -8.039 -32.706 1.00 0.00 WAT +ATOM 10845 H1 TIP3 1512 9.668 -7.215 -33.200 1.00 0.00 WAT +ATOM 10846 H2 TIP3 1512 10.762 -7.892 -32.442 1.00 0.00 WAT +ATOM 10847 OH2 TIP3 1513 -2.544 -23.528 -33.709 1.00 0.00 WAT +ATOM 10848 H1 TIP3 1513 -2.733 -23.539 -34.670 1.00 0.00 WAT +ATOM 10849 H2 TIP3 1513 -2.898 -24.385 -33.409 1.00 0.00 WAT +ATOM 10850 OH2 TIP3 1514 -3.681 -10.012 -37.472 1.00 0.00 WAT +ATOM 10851 H1 TIP3 1514 -4.459 -9.484 -37.249 1.00 0.00 WAT +ATOM 10852 H2 TIP3 1514 -3.273 -9.502 -38.183 1.00 0.00 WAT +ATOM 10853 OH2 TIP3 1515 -4.250 -7.161 -26.283 1.00 0.00 WAT +ATOM 10854 H1 TIP3 1515 -3.678 -7.510 -25.585 1.00 0.00 WAT +ATOM 10855 H2 TIP3 1515 -4.657 -7.992 -26.602 1.00 0.00 WAT +ATOM 10856 OH2 TIP3 1516 4.655 -8.709 -43.323 1.00 0.00 WAT +ATOM 10857 H1 TIP3 1516 3.859 -9.278 -43.254 1.00 0.00 WAT +ATOM 10858 H2 TIP3 1516 5.320 -9.393 -43.502 1.00 0.00 WAT +ATOM 10859 OH2 TIP3 1517 6.880 -9.786 -25.967 1.00 0.00 WAT +ATOM 10860 H1 TIP3 1517 6.369 -10.468 -25.492 1.00 0.00 WAT +ATOM 10861 H2 TIP3 1517 7.464 -9.464 -25.261 1.00 0.00 WAT +ATOM 10862 OH2 TIP3 1518 8.516 -8.945 -42.880 1.00 0.00 WAT +ATOM 10863 H1 TIP3 1518 8.689 -9.805 -42.463 1.00 0.00 WAT +ATOM 10864 H2 TIP3 1518 9.393 -8.645 -43.170 1.00 0.00 WAT +ATOM 10865 OH2 TIP3 1519 -4.262 -13.421 -25.147 1.00 0.00 WAT +ATOM 10866 H1 TIP3 1519 -4.179 -14.353 -25.411 1.00 0.00 WAT +ATOM 10867 H2 TIP3 1519 -5.049 -13.158 -25.665 1.00 0.00 WAT +ATOM 10868 OH2 TIP3 1520 -0.042 -12.867 -43.064 1.00 0.00 WAT +ATOM 10869 H1 TIP3 1520 0.055 -13.617 -42.460 1.00 0.00 WAT +ATOM 10870 H2 TIP3 1520 0.571 -13.109 -43.774 1.00 0.00 WAT +ATOM 10871 OH2 TIP3 1521 2.459 -13.200 -25.789 1.00 0.00 WAT +ATOM 10872 H1 TIP3 1521 1.887 -12.936 -26.525 1.00 0.00 WAT +ATOM 10873 H2 TIP3 1521 2.353 -14.169 -25.777 1.00 0.00 WAT +ATOM 10874 OH2 TIP3 1522 5.327 -11.832 -43.465 1.00 0.00 WAT +ATOM 10875 H1 TIP3 1522 5.392 -11.841 -42.492 1.00 0.00 WAT +ATOM 10876 H2 TIP3 1522 5.894 -12.574 -43.727 1.00 0.00 WAT +ATOM 10877 OH2 TIP3 1523 7.700 -13.685 -28.428 1.00 0.00 WAT +ATOM 10878 H1 TIP3 1523 8.471 -13.130 -28.622 1.00 0.00 WAT +ATOM 10879 H2 TIP3 1523 6.994 -13.018 -28.421 1.00 0.00 WAT +ATOM 10880 OH2 TIP3 1524 -3.429 -16.303 -25.958 1.00 0.00 WAT +ATOM 10881 H1 TIP3 1524 -2.719 -16.971 -25.971 1.00 0.00 WAT +ATOM 10882 H2 TIP3 1524 -3.471 -16.126 -25.007 1.00 0.00 WAT +ATOM 10883 OH2 TIP3 1525 0.979 -14.998 -40.887 1.00 0.00 WAT +ATOM 10884 H1 TIP3 1525 0.394 -15.491 -40.295 1.00 0.00 WAT +ATOM 10885 H2 TIP3 1525 1.353 -15.715 -41.433 1.00 0.00 WAT +ATOM 10886 OH2 TIP3 1526 0.167 -17.240 -28.630 1.00 0.00 WAT +ATOM 10887 H1 TIP3 1526 -0.270 -16.436 -28.303 1.00 0.00 WAT +ATOM 10888 H2 TIP3 1526 0.880 -16.864 -29.178 1.00 0.00 WAT +ATOM 10889 OH2 TIP3 1527 1.962 -17.017 -42.670 1.00 0.00 WAT +ATOM 10890 H1 TIP3 1527 2.027 -17.121 -43.630 1.00 0.00 WAT +ATOM 10891 H2 TIP3 1527 2.923 -16.887 -42.523 1.00 0.00 WAT +ATOM 10892 OH2 TIP3 1528 5.409 -14.666 -25.060 1.00 0.00 WAT +ATOM 10893 H1 TIP3 1528 6.313 -14.784 -25.385 1.00 0.00 WAT +ATOM 10894 H2 TIP3 1528 5.251 -15.492 -24.582 1.00 0.00 WAT +ATOM 10895 OH2 TIP3 1529 0.810 -19.930 -27.426 1.00 0.00 WAT +ATOM 10896 H1 TIP3 1529 0.887 -20.593 -28.136 1.00 0.00 WAT +ATOM 10897 H2 TIP3 1529 0.598 -19.126 -27.929 1.00 0.00 WAT +ATOM 10898 OH2 TIP3 1530 1.144 -21.473 -29.976 1.00 0.00 WAT +ATOM 10899 H1 TIP3 1530 1.670 -20.942 -30.606 1.00 0.00 WAT +ATOM 10900 H2 TIP3 1530 0.236 -21.422 -30.339 1.00 0.00 WAT +ATOM 10901 OH2 TIP3 1531 2.667 -16.032 -29.567 1.00 0.00 WAT +ATOM 10902 H1 TIP3 1531 3.514 -16.116 -30.030 1.00 0.00 WAT +ATOM 10903 H2 TIP3 1531 2.381 -15.145 -29.861 1.00 0.00 WAT +ATOM 10904 OH2 TIP3 1532 7.317 -18.060 -24.688 1.00 0.00 WAT +ATOM 10905 H1 TIP3 1532 7.493 -19.013 -24.683 1.00 0.00 WAT +ATOM 10906 H2 TIP3 1532 8.198 -17.706 -24.891 1.00 0.00 WAT +ATOM 10907 OH2 TIP3 1533 8.244 -15.276 -26.242 1.00 0.00 WAT +ATOM 10908 H1 TIP3 1533 7.909 -14.677 -26.943 1.00 0.00 WAT +ATOM 10909 H2 TIP3 1533 9.140 -15.458 -26.588 1.00 0.00 WAT +ATOM 10910 OH2 TIP3 1534 -1.012 -18.059 -25.667 1.00 0.00 WAT +ATOM 10911 H1 TIP3 1534 -1.531 -18.881 -25.605 1.00 0.00 WAT +ATOM 10912 H2 TIP3 1534 -0.181 -18.375 -26.052 1.00 0.00 WAT +ATOM 10913 OH2 TIP3 1535 1.854 -24.141 -29.606 1.00 0.00 WAT +ATOM 10914 H1 TIP3 1535 1.698 -23.186 -29.773 1.00 0.00 WAT +ATOM 10915 H2 TIP3 1535 1.155 -24.546 -30.152 1.00 0.00 WAT +ATOM 10916 OH2 TIP3 1536 3.124 -19.572 -25.809 1.00 0.00 WAT +ATOM 10917 H1 TIP3 1536 2.760 -19.794 -24.932 1.00 0.00 WAT +ATOM 10918 H2 TIP3 1536 2.330 -19.750 -26.356 1.00 0.00 WAT +ATOM 10919 OH2 TIP3 1537 5.665 -20.526 -26.955 1.00 0.00 WAT +ATOM 10920 H1 TIP3 1537 4.785 -20.486 -26.537 1.00 0.00 WAT +ATOM 10921 H2 TIP3 1537 6.131 -21.165 -26.379 1.00 0.00 WAT +ATOM 10922 OH2 TIP3 1538 7.462 -22.016 -25.237 1.00 0.00 WAT +ATOM 10923 H1 TIP3 1538 7.371 -22.979 -25.085 1.00 0.00 WAT +ATOM 10924 H2 TIP3 1538 7.341 -21.640 -24.347 1.00 0.00 WAT +ATOM 10925 OH2 TIP3 1539 -2.330 -20.626 -25.769 1.00 0.00 WAT +ATOM 10926 H1 TIP3 1539 -2.394 -21.328 -26.434 1.00 0.00 WAT +ATOM 10927 H2 TIP3 1539 -2.544 -21.110 -24.948 1.00 0.00 WAT +ATOM 10928 OH2 TIP3 1540 1.691 -24.663 -26.795 1.00 0.00 WAT +ATOM 10929 H1 TIP3 1540 2.312 -25.409 -26.741 1.00 0.00 WAT +ATOM 10930 H2 TIP3 1540 1.676 -24.503 -27.760 1.00 0.00 WAT +ATOM 10931 OH2 TIP3 1541 2.642 -22.786 -24.944 1.00 0.00 WAT +ATOM 10932 H1 TIP3 1541 2.336 -23.370 -25.666 1.00 0.00 WAT +ATOM 10933 H2 TIP3 1541 1.955 -22.100 -24.916 1.00 0.00 WAT +ATOM 10934 OH2 TIP3 1542 1.773 -5.717 -41.713 1.00 0.00 WAT +ATOM 10935 H1 TIP3 1542 2.732 -5.613 -41.606 1.00 0.00 WAT +ATOM 10936 H2 TIP3 1542 1.564 -5.124 -42.450 1.00 0.00 WAT +ATOM 10937 OH2 TIP3 1543 -4.408 -11.614 -42.032 1.00 0.00 WAT +ATOM 10938 H1 TIP3 1543 -3.481 -11.317 -41.961 1.00 0.00 WAT +ATOM 10939 H2 TIP3 1543 -4.362 -12.272 -42.740 1.00 0.00 WAT +ATOM 10940 OH2 TIP3 1544 -5.348 -6.159 -37.201 1.00 0.00 WAT +ATOM 10941 H1 TIP3 1544 -6.074 -6.521 -37.746 1.00 0.00 WAT +ATOM 10942 H2 TIP3 1544 -5.283 -6.830 -36.491 1.00 0.00 WAT +ATOM 10943 OH2 TIP3 1545 -4.985 -8.127 -35.203 1.00 0.00 WAT +ATOM 10944 H1 TIP3 1545 -5.276 -9.000 -34.887 1.00 0.00 WAT +ATOM 10945 H2 TIP3 1545 -4.633 -7.778 -34.367 1.00 0.00 WAT +ATOM 10946 OH2 TIP3 1546 12.559 -6.862 -32.195 1.00 0.00 WAT +ATOM 10947 H1 TIP3 1546 12.709 -6.885 -31.237 1.00 0.00 WAT +ATOM 10948 H2 TIP3 1546 13.422 -6.569 -32.518 1.00 0.00 WAT +ATOM 10949 OH2 TIP3 1547 12.448 -7.420 -29.323 1.00 0.00 WAT +ATOM 10950 H1 TIP3 1547 11.937 -8.178 -29.665 1.00 0.00 WAT +ATOM 10951 H2 TIP3 1547 13.008 -7.872 -28.673 1.00 0.00 WAT +ATOM 10952 OH2 TIP3 1548 10.455 -11.997 -24.953 1.00 0.00 WAT +ATOM 10953 H1 TIP3 1548 9.584 -11.908 -24.532 1.00 0.00 WAT +ATOM 10954 H2 TIP3 1548 10.892 -11.164 -24.721 1.00 0.00 WAT +ATOM 10955 OH2 TIP3 1549 11.848 -13.149 -39.305 1.00 0.00 WAT +ATOM 10956 H1 TIP3 1549 12.751 -12.799 -39.178 1.00 0.00 WAT +ATOM 10957 H2 TIP3 1549 11.806 -13.795 -38.576 1.00 0.00 WAT +ATOM 10958 OH2 TIP3 1550 12.293 -15.186 -37.349 1.00 0.00 WAT +ATOM 10959 H1 TIP3 1550 11.588 -15.721 -36.929 1.00 0.00 WAT +ATOM 10960 H2 TIP3 1550 12.921 -15.038 -36.615 1.00 0.00 WAT +ATOM 10961 OH2 TIP3 1551 12.042 -12.659 -32.351 1.00 0.00 WAT +ATOM 10962 H1 TIP3 1551 12.697 -13.115 -32.901 1.00 0.00 WAT +ATOM 10963 H2 TIP3 1551 12.136 -11.738 -32.647 1.00 0.00 WAT +ATOM 10964 OH2 TIP3 1552 10.747 -9.718 -30.090 1.00 0.00 WAT +ATOM 10965 H1 TIP3 1552 10.018 -9.312 -29.589 1.00 0.00 WAT +ATOM 10966 H2 TIP3 1552 10.281 -10.080 -30.870 1.00 0.00 WAT +ATOM 10967 OH2 TIP3 1553 12.617 -15.465 -41.071 1.00 0.00 WAT +ATOM 10968 H1 TIP3 1553 11.984 -15.225 -41.765 1.00 0.00 WAT +ATOM 10969 H2 TIP3 1553 12.398 -14.796 -40.402 1.00 0.00 WAT +ATOM 10970 OH2 TIP3 1554 10.834 -18.098 -42.134 1.00 0.00 WAT +ATOM 10971 H1 TIP3 1554 11.066 -17.339 -42.695 1.00 0.00 WAT +ATOM 10972 H2 TIP3 1554 11.139 -18.843 -42.656 1.00 0.00 WAT +ATOM 10973 OH2 TIP3 1555 10.289 -17.013 -36.480 1.00 0.00 WAT +ATOM 10974 H1 TIP3 1555 10.149 -17.952 -36.685 1.00 0.00 WAT +ATOM 10975 H2 TIP3 1555 9.860 -16.921 -35.605 1.00 0.00 WAT +ATOM 10976 OH2 TIP3 1556 -4.908 -14.786 -32.797 1.00 0.00 WAT +ATOM 10977 H1 TIP3 1556 -4.649 -14.735 -33.733 1.00 0.00 WAT +ATOM 10978 H2 TIP3 1556 -4.043 -14.998 -32.387 1.00 0.00 WAT +ATOM 10979 OH2 TIP3 1557 10.976 -15.164 -27.137 1.00 0.00 WAT +ATOM 10980 H1 TIP3 1557 11.726 -15.772 -27.233 1.00 0.00 WAT +ATOM 10981 H2 TIP3 1557 11.344 -14.348 -27.505 1.00 0.00 WAT +ATOM 10982 OH2 TIP3 1558 12.645 -17.480 -26.082 1.00 0.00 WAT +ATOM 10983 H1 TIP3 1558 11.796 -17.807 -26.438 1.00 0.00 WAT +ATOM 10984 H2 TIP3 1558 13.299 -18.068 -26.476 1.00 0.00 WAT +ATOM 10985 OH2 TIP3 1559 10.070 -21.560 -43.397 1.00 0.00 WAT +ATOM 10986 H1 TIP3 1559 10.574 -21.388 -42.600 1.00 0.00 WAT +ATOM 10987 H2 TIP3 1559 9.142 -21.599 -43.113 1.00 0.00 WAT +ATOM 10988 OH2 TIP3 1560 10.084 -19.450 -38.322 1.00 0.00 WAT +ATOM 10989 H1 TIP3 1560 10.310 -20.407 -38.284 1.00 0.00 WAT +ATOM 10990 H2 TIP3 1560 10.886 -19.090 -38.734 1.00 0.00 WAT +ATOM 10991 OH2 TIP3 1561 10.345 -18.882 -32.880 1.00 0.00 WAT +ATOM 10992 H1 TIP3 1561 11.321 -18.794 -32.882 1.00 0.00 WAT +ATOM 10993 H2 TIP3 1561 10.185 -18.896 -31.921 1.00 0.00 WAT +ATOM 10994 OH2 TIP3 1562 10.500 -18.180 -30.024 1.00 0.00 WAT +ATOM 10995 H1 TIP3 1562 9.643 -17.777 -29.796 1.00 0.00 WAT +ATOM 10996 H2 TIP3 1562 11.039 -17.405 -30.266 1.00 0.00 WAT +ATOM 10997 OH2 TIP3 1563 -5.003 -19.437 -26.448 1.00 0.00 WAT +ATOM 10998 H1 TIP3 1563 -4.062 -19.665 -26.333 1.00 0.00 WAT +ATOM 10999 H2 TIP3 1563 -5.426 -20.303 -26.318 1.00 0.00 WAT +ATOM 11000 OH2 TIP3 1564 12.968 -23.957 -24.878 1.00 0.00 WAT +ATOM 11001 H1 TIP3 1564 13.432 -24.628 -25.412 1.00 0.00 WAT +ATOM 11002 H2 TIP3 1564 13.100 -23.147 -25.414 1.00 0.00 WAT +ATOM 11003 OH2 TIP3 1565 10.568 -22.187 -38.257 1.00 0.00 WAT +ATOM 11004 H1 TIP3 1565 10.660 -22.603 -37.384 1.00 0.00 WAT +ATOM 11005 H2 TIP3 1565 9.827 -22.710 -38.630 1.00 0.00 WAT +ATOM 11006 OH2 TIP3 1566 -4.225 -21.097 -33.594 1.00 0.00 WAT +ATOM 11007 H1 TIP3 1566 -3.762 -21.949 -33.516 1.00 0.00 WAT +ATOM 11008 H2 TIP3 1566 -3.543 -20.489 -33.250 1.00 0.00 WAT +ATOM 11009 OH2 TIP3 1567 -5.686 -18.419 -32.554 1.00 0.00 WAT +ATOM 11010 H1 TIP3 1567 -5.101 -18.463 -33.328 1.00 0.00 WAT +ATOM 11011 H2 TIP3 1567 -5.315 -17.658 -32.089 1.00 0.00 WAT +ATOM 11012 OH2 TIP3 1568 12.661 -21.759 -26.459 1.00 0.00 WAT +ATOM 11013 H1 TIP3 1568 11.769 -21.378 -26.458 1.00 0.00 WAT +ATOM 11014 H2 TIP3 1568 12.670 -22.236 -27.299 1.00 0.00 WAT +ATOM 11015 OH2 TIP3 1569 12.619 -21.834 -41.706 1.00 0.00 WAT +ATOM 11016 H1 TIP3 1569 12.808 -22.532 -42.344 1.00 0.00 WAT +ATOM 11017 H2 TIP3 1569 13.442 -21.321 -41.721 1.00 0.00 WAT +ATOM 11018 OH2 TIP3 1570 -5.186 -22.078 -38.520 1.00 0.00 WAT +ATOM 11019 H1 TIP3 1570 -6.139 -22.059 -38.718 1.00 0.00 WAT +ATOM 11020 H2 TIP3 1570 -4.810 -21.480 -39.195 1.00 0.00 WAT +ATOM 11021 OH2 TIP3 1571 9.425 -6.828 -36.416 1.00 0.00 WAT +ATOM 11022 H1 TIP3 1571 9.917 -7.096 -37.208 1.00 0.00 WAT +ATOM 11023 H2 TIP3 1571 10.122 -6.452 -35.865 1.00 0.00 WAT +ATOM 11024 OH2 TIP3 1572 -5.147 -23.211 -30.352 1.00 0.00 WAT +ATOM 11025 H1 TIP3 1572 -5.854 -23.461 -29.741 1.00 0.00 WAT +ATOM 11026 H2 TIP3 1572 -5.640 -22.674 -30.999 1.00 0.00 WAT +ATOM 11027 OH2 TIP3 1573 -3.143 -9.956 -25.597 1.00 0.00 WAT +ATOM 11028 H1 TIP3 1573 -3.748 -10.147 -26.330 1.00 0.00 WAT +ATOM 11029 H2 TIP3 1573 -3.651 -10.265 -24.832 1.00 0.00 WAT +ATOM 11030 OH2 TIP3 1574 -0.316 -9.114 -29.927 1.00 0.00 WAT +ATOM 11031 H1 TIP3 1574 -0.624 -8.264 -30.285 1.00 0.00 WAT +ATOM 11032 H2 TIP3 1574 0.642 -9.029 -30.109 1.00 0.00 WAT +ATOM 11033 OH2 TIP3 1575 4.218 -7.905 -26.682 1.00 0.00 WAT +ATOM 11034 H1 TIP3 1575 4.426 -8.139 -25.767 1.00 0.00 WAT +ATOM 11035 H2 TIP3 1575 5.035 -7.451 -26.961 1.00 0.00 WAT +ATOM 11036 OH2 TIP3 1576 6.429 -6.423 -27.680 1.00 0.00 WAT +ATOM 11037 H1 TIP3 1576 7.109 -7.074 -27.907 1.00 0.00 WAT +ATOM 11038 H2 TIP3 1576 6.737 -6.113 -26.806 1.00 0.00 WAT +ATOM 11039 OH2 TIP3 1577 11.342 -23.746 -28.486 1.00 0.00 WAT +ATOM 11040 H1 TIP3 1577 10.555 -23.524 -29.008 1.00 0.00 WAT +ATOM 11041 H2 TIP3 1577 11.576 -24.628 -28.840 1.00 0.00 WAT +ATOM 11042 OH2 TIP3 1578 -2.954 -6.186 -29.680 1.00 0.00 WAT +ATOM 11043 H1 TIP3 1578 -3.542 -5.534 -30.103 1.00 0.00 WAT +ATOM 11044 H2 TIP3 1578 -3.242 -6.103 -28.762 1.00 0.00 WAT +ATOM 11045 OH2 TIP3 1579 -0.458 -6.427 -31.125 1.00 0.00 WAT +ATOM 11046 H1 TIP3 1579 -1.303 -6.228 -30.675 1.00 0.00 WAT +ATOM 11047 H2 TIP3 1579 -0.408 -5.719 -31.791 1.00 0.00 WAT +ATOM 11048 OH2 TIP3 1580 4.305 -6.400 -31.556 1.00 0.00 WAT +ATOM 11049 H1 TIP3 1580 3.917 -5.940 -32.320 1.00 0.00 WAT +ATOM 11050 H2 TIP3 1580 4.370 -5.674 -30.907 1.00 0.00 WAT +ATOM 11051 OH2 TIP3 1581 6.641 -7.680 -30.640 1.00 0.00 WAT +ATOM 11052 H1 TIP3 1581 5.788 -7.327 -30.958 1.00 0.00 WAT +ATOM 11053 H2 TIP3 1581 7.191 -6.884 -30.646 1.00 0.00 WAT +ATOM 11054 OH2 TIP3 1582 9.169 -5.943 -30.442 1.00 0.00 WAT +ATOM 11055 H1 TIP3 1582 9.114 -4.994 -30.669 1.00 0.00 WAT +ATOM 11056 H2 TIP3 1582 9.439 -6.316 -31.297 1.00 0.00 WAT +ATOM 11057 OH2 TIP3 1583 -3.368 -7.381 -32.728 1.00 0.00 WAT +ATOM 11058 H1 TIP3 1583 -3.385 -7.848 -31.863 1.00 0.00 WAT +ATOM 11059 H2 TIP3 1583 -2.596 -7.813 -33.144 1.00 0.00 WAT +ATOM 11060 OH2 TIP3 1584 -1.335 -8.618 -34.297 1.00 0.00 WAT +ATOM 11061 H1 TIP3 1584 -1.495 -9.544 -34.020 1.00 0.00 WAT +ATOM 11062 H2 TIP3 1584 -0.428 -8.469 -33.962 1.00 0.00 WAT +ATOM 11063 OH2 TIP3 1585 1.413 -8.164 -33.400 1.00 0.00 WAT +ATOM 11064 H1 TIP3 1585 1.603 -9.097 -33.608 1.00 0.00 WAT +ATOM 11065 H2 TIP3 1585 1.488 -8.184 -32.432 1.00 0.00 WAT +ATOM 11066 OH2 TIP3 1586 4.747 -22.270 -34.083 1.00 0.00 WAT +ATOM 11067 H1 TIP3 1586 4.053 -22.945 -33.955 1.00 0.00 WAT +ATOM 11068 H2 TIP3 1586 5.347 -22.716 -34.701 1.00 0.00 WAT +ATOM 11069 OH2 TIP3 1587 9.695 -24.271 -33.644 1.00 0.00 WAT +ATOM 11070 H1 TIP3 1587 10.451 -23.799 -34.031 1.00 0.00 WAT +ATOM 11071 H2 TIP3 1587 8.946 -23.939 -34.168 1.00 0.00 WAT +ATOM 11072 OH2 TIP3 1588 11.785 -23.160 -35.751 1.00 0.00 WAT +ATOM 11073 H1 TIP3 1588 12.492 -23.562 -36.287 1.00 0.00 WAT +ATOM 11074 H2 TIP3 1588 12.064 -22.237 -35.669 1.00 0.00 WAT +ATOM 11075 OH2 TIP3 1589 -2.902 -23.552 -36.518 1.00 0.00 WAT +ATOM 11076 H1 TIP3 1589 -3.760 -23.673 -36.970 1.00 0.00 WAT +ATOM 11077 H2 TIP3 1589 -2.475 -24.409 -36.689 1.00 0.00 WAT +ATOM 11078 OH2 TIP3 1590 -4.103 -23.988 -40.805 1.00 0.00 WAT +ATOM 11079 H1 TIP3 1590 -3.512 -23.347 -41.263 1.00 0.00 WAT +ATOM 11080 H2 TIP3 1590 -4.440 -23.450 -40.071 1.00 0.00 WAT +ATOM 11081 OH2 TIP3 1591 1.566 -23.759 -36.645 1.00 0.00 WAT +ATOM 11082 H1 TIP3 1591 2.455 -23.404 -36.808 1.00 0.00 WAT +ATOM 11083 H2 TIP3 1591 1.567 -23.817 -35.682 1.00 0.00 WAT +ATOM 11084 OH2 TIP3 1592 7.184 -23.684 -35.232 1.00 0.00 WAT +ATOM 11085 H1 TIP3 1592 7.409 -23.810 -36.165 1.00 0.00 WAT +ATOM 11086 H2 TIP3 1592 6.788 -24.543 -35.000 1.00 0.00 WAT +ATOM 11087 OH2 TIP3 1593 8.257 -23.609 -39.144 1.00 0.00 WAT +ATOM 11088 H1 TIP3 1593 7.471 -23.115 -39.445 1.00 0.00 WAT +ATOM 11089 H2 TIP3 1593 7.937 -24.522 -39.236 1.00 0.00 WAT +ATOM 11090 OH2 TIP3 1594 -4.035 -8.097 -39.664 1.00 0.00 WAT +ATOM 11091 H1 TIP3 1594 -4.754 -8.110 -40.317 1.00 0.00 WAT +ATOM 11092 H2 TIP3 1594 -4.037 -7.170 -39.403 1.00 0.00 WAT +ATOM 11093 OH2 TIP3 1595 -2.433 -22.305 -42.281 1.00 0.00 WAT +ATOM 11094 H1 TIP3 1595 -1.856 -22.840 -42.842 1.00 0.00 WAT +ATOM 11095 H2 TIP3 1595 -1.781 -21.770 -41.797 1.00 0.00 WAT +ATOM 11096 OH2 TIP3 1596 2.630 -22.112 -39.554 1.00 0.00 WAT +ATOM 11097 H1 TIP3 1596 3.093 -22.623 -38.873 1.00 0.00 WAT +ATOM 11098 H2 TIP3 1596 2.935 -21.222 -39.315 1.00 0.00 WAT +ATOM 11099 OH2 TIP3 1597 4.732 -6.454 -41.479 1.00 0.00 WAT +ATOM 11100 H1 TIP3 1597 5.709 -6.341 -41.498 1.00 0.00 WAT +ATOM 11101 H2 TIP3 1597 4.636 -7.088 -42.214 1.00 0.00 WAT +ATOM 11102 OH2 TIP3 1598 11.368 -7.269 -38.839 1.00 0.00 WAT +ATOM 11103 H1 TIP3 1598 11.079 -8.110 -39.252 1.00 0.00 WAT +ATOM 11104 H2 TIP3 1598 11.141 -6.617 -39.534 1.00 0.00 WAT +ATOM 11105 OH2 TIP3 1599 -3.107 -23.332 -27.022 1.00 0.00 WAT +ATOM 11106 H1 TIP3 1599 -3.498 -24.139 -26.644 1.00 0.00 WAT +ATOM 11107 H2 TIP3 1599 -2.184 -23.428 -26.735 1.00 0.00 WAT +ATOM 11108 OH2 TIP3 1600 -0.730 -23.937 -25.288 1.00 0.00 WAT +ATOM 11109 H1 TIP3 1600 0.105 -24.268 -25.679 1.00 0.00 WAT +ATOM 11110 H2 TIP3 1600 -1.053 -24.737 -24.847 1.00 0.00 WAT +ATOM 11111 OH2 TIP3 1601 -2.041 -7.025 -42.312 1.00 0.00 WAT +ATOM 11112 H1 TIP3 1601 -2.433 -6.812 -41.457 1.00 0.00 WAT +ATOM 11113 H2 TIP3 1601 -1.366 -7.676 -42.089 1.00 0.00 WAT +ATOM 11114 OH2 TIP3 1602 7.406 -24.824 -25.102 1.00 0.00 WAT +ATOM 11115 H1 TIP3 1602 7.439 -25.243 -24.221 1.00 0.00 WAT +ATOM 11116 H2 TIP3 1602 8.346 -24.859 -25.365 1.00 0.00 WAT +ATOM 11117 OH2 TIP3 1603 10.741 -8.513 -26.379 1.00 0.00 WAT +ATOM 11118 H1 TIP3 1603 10.012 -8.693 -27.001 1.00 0.00 WAT +ATOM 11119 H2 TIP3 1603 10.594 -7.568 -26.194 1.00 0.00 WAT +ATOM 11120 OH2 TIP3 1604 24.940 -14.818 -36.273 1.00 0.00 WAT +ATOM 11121 H1 TIP3 1604 24.961 -13.849 -36.186 1.00 0.00 WAT +ATOM 11122 H2 TIP3 1604 24.225 -14.932 -36.913 1.00 0.00 WAT +ATOM 11123 OH2 TIP3 1605 23.801 -15.344 -33.196 1.00 0.00 WAT +ATOM 11124 H1 TIP3 1605 23.847 -15.879 -32.386 1.00 0.00 WAT +ATOM 11125 H2 TIP3 1605 23.611 -16.013 -33.871 1.00 0.00 WAT +ATOM 11126 OH2 TIP3 1606 16.328 -15.963 -31.516 1.00 0.00 WAT +ATOM 11127 H1 TIP3 1606 16.222 -16.717 -30.884 1.00 0.00 WAT +ATOM 11128 H2 TIP3 1606 16.898 -15.398 -30.972 1.00 0.00 WAT +ATOM 11129 OH2 TIP3 1607 27.498 -12.517 -34.784 1.00 0.00 WAT +ATOM 11130 H1 TIP3 1607 27.192 -13.257 -34.247 1.00 0.00 WAT +ATOM 11131 H2 TIP3 1607 27.831 -11.918 -34.100 1.00 0.00 WAT +ATOM 11132 OH2 TIP3 1608 16.960 -11.183 -33.113 1.00 0.00 WAT +ATOM 11133 H1 TIP3 1608 16.693 -12.084 -33.343 1.00 0.00 WAT +ATOM 11134 H2 TIP3 1608 17.861 -11.318 -32.776 1.00 0.00 WAT +ATOM 11135 OH2 TIP3 1609 14.044 -17.669 -37.576 1.00 0.00 WAT +ATOM 11136 H1 TIP3 1609 13.504 -16.860 -37.530 1.00 0.00 WAT +ATOM 11137 H2 TIP3 1609 13.401 -18.285 -37.958 1.00 0.00 WAT +ATOM 11138 OH2 TIP3 1610 14.554 -15.276 -35.683 1.00 0.00 WAT +ATOM 11139 H1 TIP3 1610 14.836 -16.111 -35.260 1.00 0.00 WAT +ATOM 11140 H2 TIP3 1610 15.368 -14.932 -36.064 1.00 0.00 WAT +ATOM 11141 OH2 TIP3 1611 24.550 -7.268 -34.318 1.00 0.00 WAT +ATOM 11142 H1 TIP3 1611 25.133 -7.983 -34.639 1.00 0.00 WAT +ATOM 11143 H2 TIP3 1611 24.289 -7.601 -33.449 1.00 0.00 WAT +ATOM 11144 OH2 TIP3 1612 22.333 -12.869 -32.653 1.00 0.00 WAT +ATOM 11145 H1 TIP3 1612 22.702 -13.593 -33.190 1.00 0.00 WAT +ATOM 11146 H2 TIP3 1612 23.118 -12.677 -32.108 1.00 0.00 WAT +ATOM 11147 OH2 TIP3 1613 30.746 -21.426 -31.842 1.00 0.00 WAT +ATOM 11148 H1 TIP3 1613 31.164 -20.805 -31.233 1.00 0.00 WAT +ATOM 11149 H2 TIP3 1613 31.282 -21.279 -32.645 1.00 0.00 WAT +ATOM 11150 OH2 TIP3 1614 25.626 -18.526 -32.131 1.00 0.00 WAT +ATOM 11151 H1 TIP3 1614 25.722 -19.489 -32.057 1.00 0.00 WAT +ATOM 11152 H2 TIP3 1614 25.519 -18.412 -33.089 1.00 0.00 WAT +ATOM 11153 OH2 TIP3 1615 18.614 -20.381 -35.154 1.00 0.00 WAT +ATOM 11154 H1 TIP3 1615 18.548 -19.641 -35.760 1.00 0.00 WAT +ATOM 11155 H2 TIP3 1615 18.311 -21.093 -35.750 1.00 0.00 WAT +ATOM 11156 OH2 TIP3 1616 26.407 -20.343 -36.731 1.00 0.00 WAT +ATOM 11157 H1 TIP3 1616 26.987 -20.780 -36.069 1.00 0.00 WAT +ATOM 11158 H2 TIP3 1616 27.072 -19.925 -37.299 1.00 0.00 WAT +ATOM 11159 OH2 TIP3 1617 15.598 -17.705 -34.741 1.00 0.00 WAT +ATOM 11160 H1 TIP3 1617 15.927 -18.244 -33.994 1.00 0.00 WAT +ATOM 11161 H2 TIP3 1617 15.159 -18.374 -35.292 1.00 0.00 WAT +ATOM 11162 OH2 TIP3 1618 20.184 -16.647 -35.430 1.00 0.00 WAT +ATOM 11163 H1 TIP3 1618 21.084 -16.700 -35.063 1.00 0.00 WAT +ATOM 11164 H2 TIP3 1618 20.006 -17.581 -35.524 1.00 0.00 WAT +ATOM 11165 OH2 TIP3 1619 31.204 -20.148 -29.279 1.00 0.00 WAT +ATOM 11166 H1 TIP3 1619 31.146 -19.261 -29.677 1.00 0.00 WAT +ATOM 11167 H2 TIP3 1619 31.678 -19.967 -28.446 1.00 0.00 WAT +ATOM 11168 OH2 TIP3 1620 17.193 -21.612 -30.673 1.00 0.00 WAT +ATOM 11169 H1 TIP3 1620 16.813 -21.103 -31.398 1.00 0.00 WAT +ATOM 11170 H2 TIP3 1620 16.569 -21.389 -29.961 1.00 0.00 WAT +ATOM 11171 OH2 TIP3 1621 24.773 -12.028 -37.478 1.00 0.00 WAT +ATOM 11172 H1 TIP3 1621 24.616 -12.150 -38.418 1.00 0.00 WAT +ATOM 11173 H2 TIP3 1621 24.428 -11.131 -37.320 1.00 0.00 WAT +ATOM 11174 OH2 TIP3 1622 20.288 -13.848 -30.795 1.00 0.00 WAT +ATOM 11175 H1 TIP3 1622 19.561 -13.258 -30.498 1.00 0.00 WAT +ATOM 11176 H2 TIP3 1622 20.920 -13.214 -31.176 1.00 0.00 WAT +ATOM 11177 OH2 TIP3 1623 28.227 -21.086 -34.687 1.00 0.00 WAT +ATOM 11178 H1 TIP3 1623 27.910 -21.716 -34.026 1.00 0.00 WAT +ATOM 11179 H2 TIP3 1623 28.783 -20.504 -34.146 1.00 0.00 WAT +ATOM 11180 OH2 TIP3 1624 16.952 -19.669 -32.998 1.00 0.00 WAT +ATOM 11181 H1 TIP3 1624 17.542 -19.162 -32.397 1.00 0.00 WAT +ATOM 11182 H2 TIP3 1624 17.605 -20.041 -33.626 1.00 0.00 WAT +ATOM 11183 OH2 TIP3 1625 18.283 -11.970 -30.113 1.00 0.00 WAT +ATOM 11184 H1 TIP3 1625 18.249 -11.012 -30.299 1.00 0.00 WAT +ATOM 11185 H2 TIP3 1625 17.446 -12.084 -29.622 1.00 0.00 WAT +ATOM 11186 OH2 TIP3 1626 14.604 -12.283 -39.180 1.00 0.00 WAT +ATOM 11187 H1 TIP3 1626 14.435 -11.886 -40.059 1.00 0.00 WAT +ATOM 11188 H2 TIP3 1626 14.755 -11.509 -38.605 1.00 0.00 WAT +ATOM 11189 OH2 TIP3 1627 28.109 -10.886 -32.191 1.00 0.00 WAT +ATOM 11190 H1 TIP3 1627 27.168 -10.652 -32.220 1.00 0.00 WAT +ATOM 11191 H2 TIP3 1627 28.528 -10.033 -32.393 1.00 0.00 WAT +ATOM 11192 OH2 TIP3 1628 21.481 -24.208 -33.800 1.00 0.00 WAT +ATOM 11193 H1 TIP3 1628 21.262 -25.159 -33.827 1.00 0.00 WAT +ATOM 11194 H2 TIP3 1628 20.676 -23.829 -33.393 1.00 0.00 WAT +ATOM 11195 OH2 TIP3 1629 26.346 -8.864 -35.840 1.00 0.00 WAT +ATOM 11196 H1 TIP3 1629 26.830 -9.666 -36.127 1.00 0.00 WAT +ATOM 11197 H2 TIP3 1629 27.045 -8.188 -35.930 1.00 0.00 WAT +ATOM 11198 OH2 TIP3 1630 27.768 -10.981 -37.175 1.00 0.00 WAT +ATOM 11199 H1 TIP3 1630 27.367 -11.507 -37.878 1.00 0.00 WAT +ATOM 11200 H2 TIP3 1630 27.769 -11.613 -36.430 1.00 0.00 WAT +ATOM 11201 OH2 TIP3 1631 23.654 -15.302 -39.043 1.00 0.00 WAT +ATOM 11202 H1 TIP3 1631 22.990 -14.696 -39.422 1.00 0.00 WAT +ATOM 11203 H2 TIP3 1631 24.384 -15.222 -39.677 1.00 0.00 WAT +ATOM 11204 OH2 TIP3 1632 23.817 -17.077 -42.048 1.00 0.00 WAT +ATOM 11205 H1 TIP3 1632 24.505 -16.753 -41.442 1.00 0.00 WAT +ATOM 11206 H2 TIP3 1632 24.354 -17.681 -42.607 1.00 0.00 WAT +ATOM 11207 OH2 TIP3 1633 30.985 -16.023 -30.753 1.00 0.00 WAT +ATOM 11208 H1 TIP3 1633 30.342 -15.288 -30.648 1.00 0.00 WAT +ATOM 11209 H2 TIP3 1633 31.514 -15.679 -31.501 1.00 0.00 WAT +ATOM 11210 OH2 TIP3 1634 27.115 -15.305 -37.940 1.00 0.00 WAT +ATOM 11211 H1 TIP3 1634 26.445 -15.101 -37.250 1.00 0.00 WAT +ATOM 11212 H2 TIP3 1634 27.745 -15.848 -37.430 1.00 0.00 WAT +ATOM 11213 OH2 TIP3 1635 27.020 -17.005 -29.015 1.00 0.00 WAT +ATOM 11214 H1 TIP3 1635 26.857 -16.365 -28.302 1.00 0.00 WAT +ATOM 11215 H2 TIP3 1635 26.350 -16.728 -29.663 1.00 0.00 WAT +ATOM 11216 OH2 TIP3 1636 20.054 -11.176 -33.417 1.00 0.00 WAT +ATOM 11217 H1 TIP3 1636 20.082 -11.461 -34.337 1.00 0.00 WAT +ATOM 11218 H2 TIP3 1636 20.870 -11.574 -33.057 1.00 0.00 WAT +ATOM 11219 OH2 TIP3 1637 19.269 -15.565 -32.774 1.00 0.00 WAT +ATOM 11220 H1 TIP3 1637 19.997 -15.627 -33.405 1.00 0.00 WAT +ATOM 11221 H2 TIP3 1637 19.671 -15.074 -32.028 1.00 0.00 WAT +ATOM 11222 OH2 TIP3 1638 25.219 -10.182 -32.107 1.00 0.00 WAT +ATOM 11223 H1 TIP3 1638 25.301 -9.501 -31.416 1.00 0.00 WAT +ATOM 11224 H2 TIP3 1638 25.066 -11.006 -31.615 1.00 0.00 WAT +ATOM 11225 OH2 TIP3 1639 20.156 -11.379 -27.855 1.00 0.00 WAT +ATOM 11226 H1 TIP3 1639 19.657 -10.734 -27.322 1.00 0.00 WAT +ATOM 11227 H2 TIP3 1639 19.486 -11.650 -28.506 1.00 0.00 WAT +ATOM 11228 OH2 TIP3 1640 26.196 -15.816 -40.575 1.00 0.00 WAT +ATOM 11229 H1 TIP3 1640 26.628 -15.570 -39.730 1.00 0.00 WAT +ATOM 11230 H2 TIP3 1640 26.811 -15.411 -41.220 1.00 0.00 WAT +ATOM 11231 OH2 TIP3 1641 16.981 -14.792 -28.874 1.00 0.00 WAT +ATOM 11232 H1 TIP3 1641 17.102 -14.435 -27.977 1.00 0.00 WAT +ATOM 11233 H2 TIP3 1641 16.163 -15.302 -28.776 1.00 0.00 WAT +ATOM 11234 OH2 TIP3 1642 23.498 -9.248 -36.933 1.00 0.00 WAT +ATOM 11235 H1 TIP3 1642 24.053 -8.976 -36.190 1.00 0.00 WAT +ATOM 11236 H2 TIP3 1642 23.070 -8.419 -37.196 1.00 0.00 WAT +ATOM 11237 OH2 TIP3 1643 18.247 -9.205 -27.015 1.00 0.00 WAT +ATOM 11238 H1 TIP3 1643 18.120 -9.190 -27.978 1.00 0.00 WAT +ATOM 11239 H2 TIP3 1643 17.371 -9.477 -26.678 1.00 0.00 WAT +ATOM 11240 OH2 TIP3 1644 29.566 -24.111 -40.423 1.00 0.00 WAT +ATOM 11241 H1 TIP3 1644 28.621 -23.954 -40.248 1.00 0.00 WAT +ATOM 11242 H2 TIP3 1644 29.768 -23.396 -41.040 1.00 0.00 WAT +ATOM 11243 OH2 TIP3 1645 30.664 -9.871 -42.467 1.00 0.00 WAT +ATOM 11244 H1 TIP3 1645 31.004 -9.053 -42.071 1.00 0.00 WAT +ATOM 11245 H2 TIP3 1645 31.431 -10.469 -42.434 1.00 0.00 WAT +ATOM 11246 OH2 TIP3 1646 13.710 -13.055 -29.922 1.00 0.00 WAT +ATOM 11247 H1 TIP3 1646 13.246 -13.099 -30.781 1.00 0.00 WAT +ATOM 11248 H2 TIP3 1646 13.821 -13.997 -29.701 1.00 0.00 WAT +ATOM 11249 OH2 TIP3 1647 13.769 -10.166 -32.979 1.00 0.00 WAT +ATOM 11250 H1 TIP3 1647 14.690 -10.450 -32.894 1.00 0.00 WAT +ATOM 11251 H2 TIP3 1647 13.684 -9.575 -32.217 1.00 0.00 WAT +ATOM 11252 OH2 TIP3 1648 22.783 -10.334 -28.414 1.00 0.00 WAT +ATOM 11253 H1 TIP3 1648 22.868 -9.521 -27.877 1.00 0.00 WAT +ATOM 11254 H2 TIP3 1648 21.889 -10.643 -28.160 1.00 0.00 WAT +ATOM 11255 OH2 TIP3 1649 23.091 -6.543 -38.467 1.00 0.00 WAT +ATOM 11256 H1 TIP3 1649 23.101 -6.431 -39.434 1.00 0.00 WAT +ATOM 11257 H2 TIP3 1649 23.143 -5.629 -38.144 1.00 0.00 WAT +ATOM 11258 OH2 TIP3 1650 16.874 -7.405 -36.810 1.00 0.00 WAT +ATOM 11259 H1 TIP3 1650 17.049 -7.838 -35.949 1.00 0.00 WAT +ATOM 11260 H2 TIP3 1650 16.019 -7.794 -37.037 1.00 0.00 WAT +ATOM 11261 OH2 TIP3 1651 26.333 -6.909 -41.349 1.00 0.00 WAT +ATOM 11262 H1 TIP3 1651 26.775 -7.486 -42.010 1.00 0.00 WAT +ATOM 11263 H2 TIP3 1651 26.364 -7.469 -40.556 1.00 0.00 WAT +ATOM 11264 OH2 TIP3 1652 25.817 -7.660 -38.619 1.00 0.00 WAT +ATOM 11265 H1 TIP3 1652 24.888 -7.490 -38.390 1.00 0.00 WAT +ATOM 11266 H2 TIP3 1652 26.054 -8.330 -37.959 1.00 0.00 WAT +ATOM 11267 OH2 TIP3 1653 28.965 -18.238 -26.834 1.00 0.00 WAT +ATOM 11268 H1 TIP3 1653 28.272 -17.918 -27.435 1.00 0.00 WAT +ATOM 11269 H2 TIP3 1653 29.041 -19.169 -27.043 1.00 0.00 WAT +ATOM 11270 OH2 TIP3 1654 15.892 -11.536 -28.654 1.00 0.00 WAT +ATOM 11271 H1 TIP3 1654 16.185 -12.010 -27.847 1.00 0.00 WAT +ATOM 11272 H2 TIP3 1654 15.176 -12.107 -28.987 1.00 0.00 WAT +ATOM 11273 OH2 TIP3 1655 19.038 -22.960 -32.857 1.00 0.00 WAT +ATOM 11274 H1 TIP3 1655 18.189 -23.087 -33.320 1.00 0.00 WAT +ATOM 11275 H2 TIP3 1655 18.787 -22.296 -32.197 1.00 0.00 WAT +ATOM 11276 OH2 TIP3 1656 23.482 -23.475 -29.288 1.00 0.00 WAT +ATOM 11277 H1 TIP3 1656 23.988 -23.976 -28.619 1.00 0.00 WAT +ATOM 11278 H2 TIP3 1656 22.565 -23.770 -29.134 1.00 0.00 WAT +ATOM 11279 OH2 TIP3 1657 28.392 -15.025 -42.493 1.00 0.00 WAT +ATOM 11280 H1 TIP3 1657 27.992 -15.210 -43.356 1.00 0.00 WAT +ATOM 11281 H2 TIP3 1657 28.738 -14.139 -42.662 1.00 0.00 WAT +ATOM 11282 OH2 TIP3 1658 23.295 -21.122 -42.161 1.00 0.00 WAT +ATOM 11283 H1 TIP3 1658 22.743 -21.080 -41.370 1.00 0.00 WAT +ATOM 11284 H2 TIP3 1658 22.841 -21.805 -42.669 1.00 0.00 WAT +ATOM 11285 OH2 TIP3 1659 18.812 -18.350 -31.373 1.00 0.00 WAT +ATOM 11286 H1 TIP3 1659 18.190 -18.331 -30.611 1.00 0.00 WAT +ATOM 11287 H2 TIP3 1659 18.803 -17.421 -31.659 1.00 0.00 WAT +ATOM 11288 OH2 TIP3 1660 24.544 -17.691 -37.871 1.00 0.00 WAT +ATOM 11289 H1 TIP3 1660 24.160 -16.853 -38.204 1.00 0.00 WAT +ATOM 11290 H2 TIP3 1660 25.219 -17.874 -38.548 1.00 0.00 WAT +ATOM 11291 OH2 TIP3 1661 23.692 -17.447 -26.487 1.00 0.00 WAT +ATOM 11292 H1 TIP3 1661 23.178 -18.196 -26.121 1.00 0.00 WAT +ATOM 11293 H2 TIP3 1661 24.560 -17.575 -26.060 1.00 0.00 WAT +ATOM 11294 OH2 TIP3 1662 25.282 -18.267 -35.039 1.00 0.00 WAT +ATOM 11295 H1 TIP3 1662 25.054 -17.694 -35.798 1.00 0.00 WAT +ATOM 11296 H2 TIP3 1662 25.533 -19.077 -35.529 1.00 0.00 WAT +ATOM 11297 OH2 TIP3 1663 20.030 -20.730 -43.150 1.00 0.00 WAT +ATOM 11298 H1 TIP3 1663 19.676 -20.977 -42.275 1.00 0.00 WAT +ATOM 11299 H2 TIP3 1663 19.284 -20.208 -43.502 1.00 0.00 WAT +ATOM 11300 OH2 TIP3 1664 13.420 -20.427 -36.070 1.00 0.00 WAT +ATOM 11301 H1 TIP3 1664 13.812 -20.769 -35.244 1.00 0.00 WAT +ATOM 11302 H2 TIP3 1664 13.657 -21.085 -36.745 1.00 0.00 WAT +ATOM 11303 OH2 TIP3 1665 14.743 -20.213 -40.375 1.00 0.00 WAT +ATOM 11304 H1 TIP3 1665 15.261 -19.721 -41.043 1.00 0.00 WAT +ATOM 11305 H2 TIP3 1665 14.029 -19.577 -40.187 1.00 0.00 WAT +ATOM 11306 OH2 TIP3 1666 24.435 -16.571 -30.609 1.00 0.00 WAT +ATOM 11307 H1 TIP3 1666 24.879 -17.302 -31.095 1.00 0.00 WAT +ATOM 11308 H2 TIP3 1666 24.101 -17.035 -29.827 1.00 0.00 WAT +ATOM 11309 OH2 TIP3 1667 21.669 -20.624 -35.564 1.00 0.00 WAT +ATOM 11310 H1 TIP3 1667 20.733 -20.718 -35.323 1.00 0.00 WAT +ATOM 11311 H2 TIP3 1667 22.110 -20.836 -34.723 1.00 0.00 WAT +ATOM 11312 OH2 TIP3 1668 16.604 -19.032 -37.112 1.00 0.00 WAT +ATOM 11313 H1 TIP3 1668 15.652 -18.991 -37.341 1.00 0.00 WAT +ATOM 11314 H2 TIP3 1668 16.844 -19.927 -37.425 1.00 0.00 WAT +ATOM 11315 OH2 TIP3 1669 19.653 -18.571 -38.870 1.00 0.00 WAT +ATOM 11316 H1 TIP3 1669 20.573 -18.886 -38.912 1.00 0.00 WAT +ATOM 11317 H2 TIP3 1669 19.423 -18.436 -39.810 1.00 0.00 WAT +ATOM 11318 OH2 TIP3 1670 26.200 -21.645 -32.482 1.00 0.00 WAT +ATOM 11319 H1 TIP3 1670 25.589 -21.542 -31.725 1.00 0.00 WAT +ATOM 11320 H2 TIP3 1670 25.593 -21.911 -33.190 1.00 0.00 WAT +ATOM 11321 OH2 TIP3 1671 18.543 -18.022 -41.487 1.00 0.00 WAT +ATOM 11322 H1 TIP3 1671 17.844 -18.386 -42.058 1.00 0.00 WAT +ATOM 11323 H2 TIP3 1671 19.203 -17.723 -42.131 1.00 0.00 WAT +ATOM 11324 OH2 TIP3 1672 29.050 -5.917 -25.888 1.00 0.00 WAT +ATOM 11325 H1 TIP3 1672 29.317 -5.546 -26.741 1.00 0.00 WAT +ATOM 11326 H2 TIP3 1672 29.719 -5.556 -25.289 1.00 0.00 WAT +ATOM 11327 OH2 TIP3 1673 16.968 -13.044 -26.454 1.00 0.00 WAT +ATOM 11328 H1 TIP3 1673 17.649 -12.995 -25.749 1.00 0.00 WAT +ATOM 11329 H2 TIP3 1673 16.171 -13.129 -25.903 1.00 0.00 WAT +ATOM 11330 OH2 TIP3 1674 22.522 -17.958 -33.881 1.00 0.00 WAT +ATOM 11331 H1 TIP3 1674 23.290 -18.377 -34.298 1.00 0.00 WAT +ATOM 11332 H2 TIP3 1674 22.387 -18.524 -33.094 1.00 0.00 WAT +ATOM 11333 OH2 TIP3 1675 17.982 -21.643 -37.574 1.00 0.00 WAT +ATOM 11334 H1 TIP3 1675 17.377 -22.396 -37.441 1.00 0.00 WAT +ATOM 11335 H2 TIP3 1675 18.777 -22.084 -37.911 1.00 0.00 WAT +ATOM 11336 OH2 TIP3 1676 21.686 -19.518 -31.527 1.00 0.00 WAT +ATOM 11337 H1 TIP3 1676 20.849 -19.035 -31.454 1.00 0.00 WAT +ATOM 11338 H2 TIP3 1676 22.128 -19.296 -30.679 1.00 0.00 WAT +ATOM 11339 OH2 TIP3 1677 21.763 -13.240 -39.571 1.00 0.00 WAT +ATOM 11340 H1 TIP3 1677 21.018 -13.755 -39.946 1.00 0.00 WAT +ATOM 11341 H2 TIP3 1677 21.581 -13.277 -38.608 1.00 0.00 WAT +ATOM 11342 OH2 TIP3 1678 29.059 -13.972 -30.735 1.00 0.00 WAT +ATOM 11343 H1 TIP3 1678 29.570 -13.381 -31.332 1.00 0.00 WAT +ATOM 11344 H2 TIP3 1678 28.226 -14.058 -31.231 1.00 0.00 WAT +ATOM 11345 OH2 TIP3 1679 25.958 -20.477 -41.834 1.00 0.00 WAT +ATOM 11346 H1 TIP3 1679 24.978 -20.479 -41.869 1.00 0.00 WAT +ATOM 11347 H2 TIP3 1679 26.175 -19.709 -41.269 1.00 0.00 WAT +ATOM 11348 OH2 TIP3 1680 23.493 -13.230 -28.293 1.00 0.00 WAT +ATOM 11349 H1 TIP3 1680 23.187 -13.582 -27.444 1.00 0.00 WAT +ATOM 11350 H2 TIP3 1680 23.163 -12.318 -28.266 1.00 0.00 WAT +ATOM 11351 OH2 TIP3 1681 26.562 -18.617 -39.879 1.00 0.00 WAT +ATOM 11352 H1 TIP3 1681 27.427 -18.800 -39.460 1.00 0.00 WAT +ATOM 11353 H2 TIP3 1681 26.717 -17.750 -40.297 1.00 0.00 WAT +ATOM 11354 OH2 TIP3 1682 17.123 -14.244 -34.255 1.00 0.00 WAT +ATOM 11355 H1 TIP3 1682 18.040 -13.969 -34.336 1.00 0.00 WAT +ATOM 11356 H2 TIP3 1682 17.182 -14.817 -33.470 1.00 0.00 WAT +ATOM 11357 OH2 TIP3 1683 24.237 -11.895 -40.669 1.00 0.00 WAT +ATOM 11358 H1 TIP3 1683 23.942 -11.007 -40.382 1.00 0.00 WAT +ATOM 11359 H2 TIP3 1683 23.462 -12.427 -40.414 1.00 0.00 WAT +ATOM 11360 OH2 TIP3 1684 13.963 -15.471 -28.356 1.00 0.00 WAT +ATOM 11361 H1 TIP3 1684 14.428 -15.961 -27.648 1.00 0.00 WAT +ATOM 11362 H2 TIP3 1684 13.712 -16.179 -28.969 1.00 0.00 WAT +ATOM 11363 OH2 TIP3 1685 21.172 -16.013 -26.516 1.00 0.00 WAT +ATOM 11364 H1 TIP3 1685 20.678 -16.381 -27.278 1.00 0.00 WAT +ATOM 11365 H2 TIP3 1685 22.069 -16.356 -26.677 1.00 0.00 WAT +ATOM 11366 OH2 TIP3 1686 25.787 -10.587 -28.707 1.00 0.00 WAT +ATOM 11367 H1 TIP3 1686 24.850 -10.530 -28.960 1.00 0.00 WAT +ATOM 11368 H2 TIP3 1686 25.732 -10.335 -27.762 1.00 0.00 WAT +ATOM 11369 OH2 TIP3 1687 31.263 -18.497 -39.982 1.00 0.00 WAT +ATOM 11370 H1 TIP3 1687 30.650 -18.711 -40.710 1.00 0.00 WAT +ATOM 11371 H2 TIP3 1687 31.387 -17.550 -40.175 1.00 0.00 WAT +ATOM 11372 OH2 TIP3 1688 29.462 -9.969 -39.915 1.00 0.00 WAT +ATOM 11373 H1 TIP3 1688 29.249 -10.757 -39.396 1.00 0.00 WAT +ATOM 11374 H2 TIP3 1688 29.851 -10.343 -40.722 1.00 0.00 WAT +ATOM 11375 OH2 TIP3 1689 26.739 -14.661 -32.436 1.00 0.00 WAT +ATOM 11376 H1 TIP3 1689 25.821 -14.798 -32.723 1.00 0.00 WAT +ATOM 11377 H2 TIP3 1689 27.199 -15.340 -32.967 1.00 0.00 WAT +ATOM 11378 OH2 TIP3 1690 19.290 -10.615 -36.526 1.00 0.00 WAT +ATOM 11379 H1 TIP3 1690 19.762 -9.773 -36.643 1.00 0.00 WAT +ATOM 11380 H2 TIP3 1690 18.388 -10.351 -36.751 1.00 0.00 WAT +ATOM 11381 OH2 TIP3 1691 15.435 -15.557 -41.973 1.00 0.00 WAT +ATOM 11382 H1 TIP3 1691 15.959 -14.989 -41.372 1.00 0.00 WAT +ATOM 11383 H2 TIP3 1691 14.524 -15.382 -41.671 1.00 0.00 WAT +ATOM 11384 OH2 TIP3 1692 20.911 -13.076 -36.837 1.00 0.00 WAT +ATOM 11385 H1 TIP3 1692 20.765 -12.121 -36.742 1.00 0.00 WAT +ATOM 11386 H2 TIP3 1692 20.123 -13.438 -36.430 1.00 0.00 WAT +ATOM 11387 OH2 TIP3 1693 21.308 -8.615 -30.564 1.00 0.00 WAT +ATOM 11388 H1 TIP3 1693 21.871 -7.864 -30.820 1.00 0.00 WAT +ATOM 11389 H2 TIP3 1693 21.906 -9.106 -29.977 1.00 0.00 WAT +ATOM 11390 OH2 TIP3 1694 19.746 -7.674 -37.326 1.00 0.00 WAT +ATOM 11391 H1 TIP3 1694 18.791 -7.516 -37.243 1.00 0.00 WAT +ATOM 11392 H2 TIP3 1694 20.108 -6.803 -37.075 1.00 0.00 WAT +ATOM 11393 OH2 TIP3 1695 24.783 -12.865 -30.900 1.00 0.00 WAT +ATOM 11394 H1 TIP3 1695 24.446 -13.173 -30.037 1.00 0.00 WAT +ATOM 11395 H2 TIP3 1695 25.491 -13.503 -31.088 1.00 0.00 WAT +ATOM 11396 OH2 TIP3 1696 26.863 -11.606 -41.949 1.00 0.00 WAT +ATOM 11397 H1 TIP3 1696 27.374 -12.013 -41.225 1.00 0.00 WAT +ATOM 11398 H2 TIP3 1696 25.971 -11.686 -41.577 1.00 0.00 WAT +ATOM 11399 OH2 TIP3 1697 28.054 -8.687 -28.443 1.00 0.00 WAT +ATOM 11400 H1 TIP3 1697 27.199 -8.935 -28.845 1.00 0.00 WAT +ATOM 11401 H2 TIP3 1697 28.178 -7.786 -28.788 1.00 0.00 WAT +ATOM 11402 OH2 TIP3 1698 31.755 -7.138 -41.582 1.00 0.00 WAT +ATOM 11403 H1 TIP3 1698 32.457 -6.462 -41.459 1.00 0.00 WAT +ATOM 11404 H2 TIP3 1698 30.956 -6.608 -41.379 1.00 0.00 WAT +ATOM 11405 OH2 TIP3 1699 27.847 -12.962 -39.650 1.00 0.00 WAT +ATOM 11406 H1 TIP3 1699 27.604 -13.694 -39.056 1.00 0.00 WAT +ATOM 11407 H2 TIP3 1699 28.823 -13.004 -39.612 1.00 0.00 WAT +ATOM 11408 OH2 TIP3 1700 15.288 -9.186 -30.508 1.00 0.00 WAT +ATOM 11409 H1 TIP3 1700 15.551 -10.092 -30.285 1.00 0.00 WAT +ATOM 11410 H2 TIP3 1700 15.473 -8.744 -29.669 1.00 0.00 WAT +ATOM 11411 OH2 TIP3 1701 21.362 -10.538 -43.269 1.00 0.00 WAT +ATOM 11412 H1 TIP3 1701 21.746 -11.386 -43.554 1.00 0.00 WAT +ATOM 11413 H2 TIP3 1701 20.808 -10.831 -42.520 1.00 0.00 WAT +ATOM 11414 OH2 TIP3 1702 19.915 -10.985 -40.738 1.00 0.00 WAT +ATOM 11415 H1 TIP3 1702 20.478 -11.507 -40.148 1.00 0.00 WAT +ATOM 11416 H2 TIP3 1702 20.135 -10.065 -40.493 1.00 0.00 WAT +ATOM 11417 OH2 TIP3 1703 16.798 -13.831 -40.144 1.00 0.00 WAT +ATOM 11418 H1 TIP3 1703 16.065 -13.342 -39.721 1.00 0.00 WAT +ATOM 11419 H2 TIP3 1703 17.301 -13.112 -40.551 1.00 0.00 WAT +ATOM 11420 OH2 TIP3 1704 24.814 -21.036 -30.135 1.00 0.00 WAT +ATOM 11421 H1 TIP3 1704 24.976 -20.813 -29.204 1.00 0.00 WAT +ATOM 11422 H2 TIP3 1704 24.080 -21.669 -30.029 1.00 0.00 WAT +ATOM 11423 OH2 TIP3 1705 25.041 -21.508 -39.215 1.00 0.00 WAT +ATOM 11424 H1 TIP3 1705 25.380 -21.036 -39.994 1.00 0.00 WAT +ATOM 11425 H2 TIP3 1705 25.589 -21.137 -38.506 1.00 0.00 WAT +ATOM 11426 OH2 TIP3 1706 22.876 -9.406 -40.280 1.00 0.00 WAT +ATOM 11427 H1 TIP3 1706 22.105 -8.874 -40.029 1.00 0.00 WAT +ATOM 11428 H2 TIP3 1706 23.409 -8.751 -40.748 1.00 0.00 WAT +ATOM 11429 OH2 TIP3 1707 22.436 -19.650 -38.181 1.00 0.00 WAT +ATOM 11430 H1 TIP3 1707 23.241 -19.099 -38.096 1.00 0.00 WAT +ATOM 11431 H2 TIP3 1707 22.224 -19.827 -37.246 1.00 0.00 WAT +ATOM 11432 OH2 TIP3 1708 22.910 -18.765 -29.044 1.00 0.00 WAT +ATOM 11433 H1 TIP3 1708 22.838 -18.218 -28.244 1.00 0.00 WAT +ATOM 11434 H2 TIP3 1708 23.523 -19.449 -28.746 1.00 0.00 WAT +ATOM 11435 OH2 TIP3 1709 23.147 -22.613 -37.242 1.00 0.00 WAT +ATOM 11436 H1 TIP3 1709 22.956 -21.940 -36.564 1.00 0.00 WAT +ATOM 11437 H2 TIP3 1709 23.873 -22.181 -37.735 1.00 0.00 WAT +ATOM 11438 OH2 TIP3 1710 20.073 -8.208 -40.249 1.00 0.00 WAT +ATOM 11439 H1 TIP3 1710 20.123 -7.357 -40.732 1.00 0.00 WAT +ATOM 11440 H2 TIP3 1710 19.955 -7.916 -39.327 1.00 0.00 WAT +ATOM 11441 OH2 TIP3 1711 18.888 -21.463 -40.774 1.00 0.00 WAT +ATOM 11442 H1 TIP3 1711 18.715 -20.807 -40.086 1.00 0.00 WAT +ATOM 11443 H2 TIP3 1711 19.643 -21.958 -40.400 1.00 0.00 WAT +ATOM 11444 OH2 TIP3 1712 27.641 -16.869 -34.103 1.00 0.00 WAT +ATOM 11445 H1 TIP3 1712 26.825 -17.332 -34.364 1.00 0.00 WAT +ATOM 11446 H2 TIP3 1712 28.149 -17.578 -33.654 1.00 0.00 WAT +ATOM 11447 OH2 TIP3 1713 17.157 -10.738 -41.543 1.00 0.00 WAT +ATOM 11448 H1 TIP3 1713 17.972 -10.439 -41.108 1.00 0.00 WAT +ATOM 11449 H2 TIP3 1713 17.542 -11.266 -42.262 1.00 0.00 WAT +ATOM 11450 OH2 TIP3 1714 15.465 -18.432 -42.501 1.00 0.00 WAT +ATOM 11451 H1 TIP3 1714 15.568 -17.469 -42.379 1.00 0.00 WAT +ATOM 11452 H2 TIP3 1714 14.584 -18.474 -42.916 1.00 0.00 WAT +ATOM 11453 OH2 TIP3 1715 28.909 -7.966 -32.530 1.00 0.00 WAT +ATOM 11454 H1 TIP3 1715 28.622 -7.235 -33.108 1.00 0.00 WAT +ATOM 11455 H2 TIP3 1715 29.865 -7.782 -32.496 1.00 0.00 WAT +ATOM 11456 OH2 TIP3 1716 16.357 -23.541 -33.702 1.00 0.00 WAT +ATOM 11457 H1 TIP3 1716 16.125 -23.568 -34.650 1.00 0.00 WAT +ATOM 11458 H2 TIP3 1716 15.982 -24.380 -33.367 1.00 0.00 WAT +ATOM 11459 OH2 TIP3 1717 15.196 -10.017 -37.464 1.00 0.00 WAT +ATOM 11460 H1 TIP3 1717 14.399 -9.516 -37.245 1.00 0.00 WAT +ATOM 11461 H2 TIP3 1717 15.566 -9.504 -38.196 1.00 0.00 WAT +ATOM 11462 OH2 TIP3 1718 14.538 -7.100 -26.236 1.00 0.00 WAT +ATOM 11463 H1 TIP3 1718 15.155 -7.378 -25.531 1.00 0.00 WAT +ATOM 11464 H2 TIP3 1718 14.180 -7.962 -26.528 1.00 0.00 WAT +ATOM 11465 OH2 TIP3 1719 19.288 -8.038 -24.518 1.00 0.00 WAT +ATOM 11466 H1 TIP3 1719 19.968 -8.680 -24.264 1.00 0.00 WAT +ATOM 11467 H2 TIP3 1719 19.073 -8.334 -25.417 1.00 0.00 WAT +ATOM 11468 OH2 TIP3 1720 23.507 -8.702 -43.314 1.00 0.00 WAT +ATOM 11469 H1 TIP3 1720 22.711 -9.269 -43.260 1.00 0.00 WAT +ATOM 11470 H2 TIP3 1720 24.178 -9.372 -43.516 1.00 0.00 WAT +ATOM 11471 OH2 TIP3 1721 25.804 -9.876 -26.025 1.00 0.00 WAT +ATOM 11472 H1 TIP3 1721 25.352 -10.598 -25.543 1.00 0.00 WAT +ATOM 11473 H2 TIP3 1721 26.458 -9.565 -25.370 1.00 0.00 WAT +ATOM 11474 OH2 TIP3 1722 27.347 -8.969 -42.882 1.00 0.00 WAT +ATOM 11475 H1 TIP3 1722 27.632 -9.784 -42.444 1.00 0.00 WAT +ATOM 11476 H2 TIP3 1722 28.186 -8.562 -43.176 1.00 0.00 WAT +ATOM 11477 OH2 TIP3 1723 14.523 -13.516 -25.117 1.00 0.00 WAT +ATOM 11478 H1 TIP3 1723 14.695 -14.402 -25.488 1.00 0.00 WAT +ATOM 11479 H2 TIP3 1723 13.804 -13.208 -25.703 1.00 0.00 WAT +ATOM 11480 OH2 TIP3 1724 18.815 -12.913 -43.017 1.00 0.00 WAT +ATOM 11481 H1 TIP3 1724 18.986 -13.662 -42.435 1.00 0.00 WAT +ATOM 11482 H2 TIP3 1724 19.441 -13.054 -43.743 1.00 0.00 WAT +ATOM 11483 OH2 TIP3 1725 21.213 -13.294 -25.839 1.00 0.00 WAT +ATOM 11484 H1 TIP3 1725 20.868 -12.992 -26.694 1.00 0.00 WAT +ATOM 11485 H2 TIP3 1725 21.271 -14.267 -25.968 1.00 0.00 WAT +ATOM 11486 OH2 TIP3 1726 24.115 -11.902 -43.472 1.00 0.00 WAT +ATOM 11487 H1 TIP3 1726 24.291 -11.778 -42.522 1.00 0.00 WAT +ATOM 11488 H2 TIP3 1726 24.775 -12.563 -43.725 1.00 0.00 WAT +ATOM 11489 OH2 TIP3 1727 26.800 -13.377 -28.296 1.00 0.00 WAT +ATOM 11490 H1 TIP3 1727 27.463 -13.108 -28.943 1.00 0.00 WAT +ATOM 11491 H2 TIP3 1727 26.071 -12.760 -28.473 1.00 0.00 WAT +ATOM 11492 OH2 TIP3 1728 15.467 -16.188 -26.008 1.00 0.00 WAT +ATOM 11493 H1 TIP3 1728 16.095 -16.912 -26.176 1.00 0.00 WAT +ATOM 11494 H2 TIP3 1728 15.379 -16.238 -25.046 1.00 0.00 WAT +ATOM 11495 OH2 TIP3 1729 19.881 -15.045 -40.792 1.00 0.00 WAT +ATOM 11496 H1 TIP3 1729 19.218 -15.548 -40.305 1.00 0.00 WAT +ATOM 11497 H2 TIP3 1729 20.238 -15.720 -41.400 1.00 0.00 WAT +ATOM 11498 OH2 TIP3 1730 19.281 -17.149 -28.346 1.00 0.00 WAT +ATOM 11499 H1 TIP3 1730 18.420 -16.698 -28.342 1.00 0.00 WAT +ATOM 11500 H2 TIP3 1730 19.692 -16.812 -29.158 1.00 0.00 WAT +ATOM 11501 OH2 TIP3 1731 21.038 -16.843 -42.746 1.00 0.00 WAT +ATOM 11502 H1 TIP3 1731 21.090 -17.121 -43.673 1.00 0.00 WAT +ATOM 11503 H2 TIP3 1731 21.987 -16.884 -42.497 1.00 0.00 WAT +ATOM 11504 OH2 TIP3 1732 24.373 -14.519 -25.023 1.00 0.00 WAT +ATOM 11505 H1 TIP3 1732 25.290 -14.707 -25.253 1.00 0.00 WAT +ATOM 11506 H2 TIP3 1732 24.103 -15.343 -24.592 1.00 0.00 WAT +ATOM 11507 OH2 TIP3 1733 19.734 -19.906 -27.408 1.00 0.00 WAT +ATOM 11508 H1 TIP3 1733 19.688 -20.588 -28.096 1.00 0.00 WAT +ATOM 11509 H2 TIP3 1733 19.412 -19.118 -27.883 1.00 0.00 WAT +ATOM 11510 OH2 TIP3 1734 19.968 -21.520 -30.029 1.00 0.00 WAT +ATOM 11511 H1 TIP3 1734 20.443 -20.921 -30.627 1.00 0.00 WAT +ATOM 11512 H2 TIP3 1734 19.025 -21.360 -30.232 1.00 0.00 WAT +ATOM 11513 OH2 TIP3 1735 21.602 -16.035 -29.657 1.00 0.00 WAT +ATOM 11514 H1 TIP3 1735 22.455 -16.048 -30.108 1.00 0.00 WAT +ATOM 11515 H2 TIP3 1735 21.268 -15.145 -29.870 1.00 0.00 WAT +ATOM 11516 OH2 TIP3 1736 26.143 -18.072 -24.833 1.00 0.00 WAT +ATOM 11517 H1 TIP3 1736 26.295 -18.995 -24.570 1.00 0.00 WAT +ATOM 11518 H2 TIP3 1736 27.034 -17.699 -24.767 1.00 0.00 WAT +ATOM 11519 OH2 TIP3 1737 27.201 -15.366 -26.498 1.00 0.00 WAT +ATOM 11520 H1 TIP3 1737 26.846 -14.636 -27.053 1.00 0.00 WAT +ATOM 11521 H2 TIP3 1737 28.141 -15.301 -26.744 1.00 0.00 WAT +ATOM 11522 OH2 TIP3 1738 17.921 -18.250 -25.488 1.00 0.00 WAT +ATOM 11523 H1 TIP3 1738 17.243 -18.922 -25.697 1.00 0.00 WAT +ATOM 11524 H2 TIP3 1738 18.614 -18.477 -26.124 1.00 0.00 WAT +ATOM 11525 OH2 TIP3 1739 20.751 -24.134 -29.643 1.00 0.00 WAT +ATOM 11526 H1 TIP3 1739 20.533 -23.186 -29.783 1.00 0.00 WAT +ATOM 11527 H2 TIP3 1739 20.027 -24.564 -30.136 1.00 0.00 WAT +ATOM 11528 OH2 TIP3 1740 22.122 -19.622 -25.898 1.00 0.00 WAT +ATOM 11529 H1 TIP3 1740 21.794 -19.854 -25.011 1.00 0.00 WAT +ATOM 11530 H2 TIP3 1740 21.304 -19.791 -26.414 1.00 0.00 WAT +ATOM 11531 OH2 TIP3 1741 24.699 -20.507 -27.264 1.00 0.00 WAT +ATOM 11532 H1 TIP3 1741 23.863 -20.346 -26.789 1.00 0.00 WAT +ATOM 11533 H2 TIP3 1741 25.199 -21.007 -26.591 1.00 0.00 WAT +ATOM 11534 OH2 TIP3 1742 26.365 -22.018 -25.290 1.00 0.00 WAT +ATOM 11535 H1 TIP3 1742 26.180 -22.963 -25.117 1.00 0.00 WAT +ATOM 11536 H2 TIP3 1742 26.134 -21.600 -24.438 1.00 0.00 WAT +ATOM 11537 OH2 TIP3 1743 16.327 -20.608 -25.774 1.00 0.00 WAT +ATOM 11538 H1 TIP3 1743 16.099 -21.250 -26.460 1.00 0.00 WAT +ATOM 11539 H2 TIP3 1743 16.083 -21.086 -24.964 1.00 0.00 WAT +ATOM 11540 OH2 TIP3 1744 20.547 -24.655 -26.805 1.00 0.00 WAT +ATOM 11541 H1 TIP3 1744 21.145 -25.416 -26.741 1.00 0.00 WAT +ATOM 11542 H2 TIP3 1744 20.536 -24.501 -27.768 1.00 0.00 WAT +ATOM 11543 OH2 TIP3 1745 21.504 -22.801 -24.944 1.00 0.00 WAT +ATOM 11544 H1 TIP3 1745 21.153 -23.382 -25.649 1.00 0.00 WAT +ATOM 11545 H2 TIP3 1745 20.828 -22.103 -24.892 1.00 0.00 WAT +ATOM 11546 OH2 TIP3 1746 20.635 -5.751 -41.720 1.00 0.00 WAT +ATOM 11547 H1 TIP3 1746 21.587 -5.597 -41.617 1.00 0.00 WAT +ATOM 11548 H2 TIP3 1746 20.385 -5.132 -42.425 1.00 0.00 WAT +ATOM 11549 OH2 TIP3 1747 14.489 -11.700 -41.946 1.00 0.00 WAT +ATOM 11550 H1 TIP3 1747 15.390 -11.326 -41.970 1.00 0.00 WAT +ATOM 11551 H2 TIP3 1747 14.445 -12.206 -42.771 1.00 0.00 WAT +ATOM 11552 OH2 TIP3 1748 13.503 -6.159 -37.200 1.00 0.00 WAT +ATOM 11553 H1 TIP3 1748 12.784 -6.518 -37.758 1.00 0.00 WAT +ATOM 11554 H2 TIP3 1748 13.564 -6.837 -36.497 1.00 0.00 WAT +ATOM 11555 OH2 TIP3 1749 13.877 -8.133 -35.204 1.00 0.00 WAT +ATOM 11556 H1 TIP3 1749 13.573 -8.999 -34.884 1.00 0.00 WAT +ATOM 11557 H2 TIP3 1749 14.219 -7.774 -34.369 1.00 0.00 WAT +ATOM 11558 OH2 TIP3 1750 31.561 -6.876 -32.176 1.00 0.00 WAT +ATOM 11559 H1 TIP3 1750 31.862 -6.869 -31.267 1.00 0.00 WAT +ATOM 11560 H2 TIP3 1750 32.392 -6.639 -32.625 1.00 0.00 WAT +ATOM 11561 OH2 TIP3 1751 31.012 -7.818 -29.067 1.00 0.00 WAT +ATOM 11562 H1 TIP3 1751 30.784 -8.384 -29.816 1.00 0.00 WAT +ATOM 11563 H2 TIP3 1751 31.925 -8.064 -28.876 1.00 0.00 WAT +ATOM 11564 OH2 TIP3 1752 29.294 -11.666 -25.368 1.00 0.00 WAT +ATOM 11565 H1 TIP3 1752 28.512 -11.950 -24.851 1.00 0.00 WAT +ATOM 11566 H2 TIP3 1752 29.806 -11.209 -24.671 1.00 0.00 WAT +ATOM 11567 OH2 TIP3 1753 30.669 -13.145 -39.299 1.00 0.00 WAT +ATOM 11568 H1 TIP3 1753 31.565 -12.764 -39.190 1.00 0.00 WAT +ATOM 11569 H2 TIP3 1753 30.673 -13.785 -38.559 1.00 0.00 WAT +ATOM 11570 OH2 TIP3 1754 31.116 -15.111 -37.322 1.00 0.00 WAT +ATOM 11571 H1 TIP3 1754 30.504 -15.720 -36.869 1.00 0.00 WAT +ATOM 11572 H2 TIP3 1754 31.855 -15.018 -36.686 1.00 0.00 WAT +ATOM 11573 OH2 TIP3 1755 30.871 -12.661 -32.411 1.00 0.00 WAT +ATOM 11574 H1 TIP3 1755 31.531 -13.161 -32.913 1.00 0.00 WAT +ATOM 11575 H2 TIP3 1755 31.093 -11.745 -32.661 1.00 0.00 WAT +ATOM 11576 OH2 TIP3 1756 31.395 -15.512 -41.066 1.00 0.00 WAT +ATOM 11577 H1 TIP3 1756 30.811 -15.159 -41.753 1.00 0.00 WAT +ATOM 11578 H2 TIP3 1756 31.282 -14.834 -40.380 1.00 0.00 WAT +ATOM 11579 OH2 TIP3 1757 29.627 -18.115 -42.180 1.00 0.00 WAT +ATOM 11580 H1 TIP3 1757 29.968 -17.353 -42.676 1.00 0.00 WAT +ATOM 11581 H2 TIP3 1757 30.089 -18.847 -42.599 1.00 0.00 WAT +ATOM 11582 OH2 TIP3 1758 29.076 -17.014 -36.509 1.00 0.00 WAT +ATOM 11583 H1 TIP3 1758 29.015 -17.971 -36.655 1.00 0.00 WAT +ATOM 11584 H2 TIP3 1758 28.706 -16.910 -35.612 1.00 0.00 WAT +ATOM 11585 OH2 TIP3 1759 14.050 -14.768 -32.760 1.00 0.00 WAT +ATOM 11586 H1 TIP3 1759 14.280 -14.746 -33.704 1.00 0.00 WAT +ATOM 11587 H2 TIP3 1759 14.881 -15.101 -32.360 1.00 0.00 WAT +ATOM 11588 OH2 TIP3 1760 29.907 -14.652 -27.204 1.00 0.00 WAT +ATOM 11589 H1 TIP3 1760 30.449 -15.463 -27.240 1.00 0.00 WAT +ATOM 11590 H2 TIP3 1760 30.539 -13.986 -27.486 1.00 0.00 WAT +ATOM 11591 OH2 TIP3 1761 31.188 -16.874 -26.203 1.00 0.00 WAT +ATOM 11592 H1 TIP3 1761 30.439 -17.469 -26.418 1.00 0.00 WAT +ATOM 11593 H2 TIP3 1761 31.942 -17.490 -26.179 1.00 0.00 WAT +ATOM 11594 OH2 TIP3 1762 28.892 -21.299 -43.378 1.00 0.00 WAT +ATOM 11595 H1 TIP3 1762 29.501 -21.559 -42.676 1.00 0.00 WAT +ATOM 11596 H2 TIP3 1762 28.030 -21.645 -43.098 1.00 0.00 WAT +ATOM 11597 OH2 TIP3 1763 28.883 -19.459 -38.366 1.00 0.00 WAT +ATOM 11598 H1 TIP3 1763 29.154 -20.403 -38.280 1.00 0.00 WAT +ATOM 11599 H2 TIP3 1763 29.704 -19.077 -38.720 1.00 0.00 WAT +ATOM 11600 OH2 TIP3 1764 29.228 -18.827 -32.935 1.00 0.00 WAT +ATOM 11601 H1 TIP3 1764 30.200 -18.725 -32.958 1.00 0.00 WAT +ATOM 11602 H2 TIP3 1764 29.067 -18.799 -31.982 1.00 0.00 WAT +ATOM 11603 OH2 TIP3 1765 29.211 -18.307 -29.973 1.00 0.00 WAT +ATOM 11604 H1 TIP3 1765 28.395 -17.816 -29.711 1.00 0.00 WAT +ATOM 11605 H2 TIP3 1765 29.776 -17.550 -30.237 1.00 0.00 WAT +ATOM 11606 OH2 TIP3 1766 31.746 -23.949 -25.018 1.00 0.00 WAT +ATOM 11607 H1 TIP3 1766 32.315 -24.672 -25.350 1.00 0.00 WAT +ATOM 11608 H2 TIP3 1766 32.130 -23.174 -25.444 1.00 0.00 WAT +ATOM 11609 OH2 TIP3 1767 29.392 -22.154 -38.228 1.00 0.00 WAT +ATOM 11610 H1 TIP3 1767 29.595 -22.592 -37.383 1.00 0.00 WAT +ATOM 11611 H2 TIP3 1767 28.696 -22.740 -38.585 1.00 0.00 WAT +ATOM 11612 OH2 TIP3 1768 14.634 -21.093 -33.623 1.00 0.00 WAT +ATOM 11613 H1 TIP3 1768 15.031 -21.968 -33.467 1.00 0.00 WAT +ATOM 11614 H2 TIP3 1768 15.302 -20.521 -33.198 1.00 0.00 WAT +ATOM 11615 OH2 TIP3 1769 13.137 -18.400 -32.577 1.00 0.00 WAT +ATOM 11616 H1 TIP3 1769 13.737 -18.485 -33.322 1.00 0.00 WAT +ATOM 11617 H2 TIP3 1769 13.572 -17.731 -32.029 1.00 0.00 WAT +ATOM 11618 OH2 TIP3 1770 30.982 -21.671 -26.801 1.00 0.00 WAT +ATOM 11619 H1 TIP3 1770 30.262 -21.780 -26.152 1.00 0.00 WAT +ATOM 11620 H2 TIP3 1770 30.931 -22.473 -27.346 1.00 0.00 WAT +ATOM 11621 OH2 TIP3 1771 31.432 -21.790 -41.795 1.00 0.00 WAT +ATOM 11622 H1 TIP3 1771 31.706 -22.579 -42.276 1.00 0.00 WAT +ATOM 11623 H2 TIP3 1771 32.283 -21.335 -41.674 1.00 0.00 WAT +ATOM 11624 OH2 TIP3 1772 13.642 -22.045 -38.478 1.00 0.00 WAT +ATOM 11625 H1 TIP3 1772 12.701 -22.072 -38.727 1.00 0.00 WAT +ATOM 11626 H2 TIP3 1772 14.032 -21.487 -39.179 1.00 0.00 WAT +ATOM 11627 OH2 TIP3 1773 28.287 -6.853 -36.407 1.00 0.00 WAT +ATOM 11628 H1 TIP3 1773 28.769 -7.098 -37.214 1.00 0.00 WAT +ATOM 11629 H2 TIP3 1773 28.984 -6.442 -35.881 1.00 0.00 WAT +ATOM 11630 OH2 TIP3 1774 13.669 -23.335 -30.493 1.00 0.00 WAT +ATOM 11631 H1 TIP3 1774 13.118 -23.422 -29.703 1.00 0.00 WAT +ATOM 11632 H2 TIP3 1774 13.174 -22.666 -30.993 1.00 0.00 WAT +ATOM 11633 OH2 TIP3 1775 15.699 -10.054 -25.688 1.00 0.00 WAT +ATOM 11634 H1 TIP3 1775 14.956 -10.119 -26.304 1.00 0.00 WAT +ATOM 11635 H2 TIP3 1775 15.271 -10.147 -24.826 1.00 0.00 WAT +ATOM 11636 OH2 TIP3 1776 18.544 -9.147 -30.022 1.00 0.00 WAT +ATOM 11637 H1 TIP3 1776 18.231 -8.282 -30.339 1.00 0.00 WAT +ATOM 11638 H2 TIP3 1776 19.505 -9.037 -30.173 1.00 0.00 WAT +ATOM 11639 OH2 TIP3 1777 23.072 -7.820 -26.997 1.00 0.00 WAT +ATOM 11640 H1 TIP3 1777 23.172 -7.974 -26.042 1.00 0.00 WAT +ATOM 11641 H2 TIP3 1777 23.914 -7.375 -27.218 1.00 0.00 WAT +ATOM 11642 OH2 TIP3 1778 25.411 -6.414 -27.749 1.00 0.00 WAT +ATOM 11643 H1 TIP3 1778 26.071 -7.090 -27.940 1.00 0.00 WAT +ATOM 11644 H2 TIP3 1778 25.717 -6.083 -26.881 1.00 0.00 WAT +ATOM 11645 OH2 TIP3 1779 29.890 -23.661 -28.668 1.00 0.00 WAT +ATOM 11646 H1 TIP3 1779 29.152 -23.903 -29.274 1.00 0.00 WAT +ATOM 11647 H2 TIP3 1779 30.430 -24.472 -28.784 1.00 0.00 WAT +ATOM 11648 OH2 TIP3 1780 15.902 -6.182 -29.671 1.00 0.00 WAT +ATOM 11649 H1 TIP3 1780 15.312 -5.536 -30.099 1.00 0.00 WAT +ATOM 11650 H2 TIP3 1780 15.608 -6.106 -28.754 1.00 0.00 WAT +ATOM 11651 OH2 TIP3 1781 18.406 -6.401 -31.118 1.00 0.00 WAT +ATOM 11652 H1 TIP3 1781 17.557 -6.212 -30.673 1.00 0.00 WAT +ATOM 11653 H2 TIP3 1781 18.444 -5.698 -31.792 1.00 0.00 WAT +ATOM 11654 OH2 TIP3 1782 23.164 -6.414 -31.546 1.00 0.00 WAT +ATOM 11655 H1 TIP3 1782 22.796 -5.954 -32.321 1.00 0.00 WAT +ATOM 11656 H2 TIP3 1782 23.258 -5.677 -30.912 1.00 0.00 WAT +ATOM 11657 OH2 TIP3 1783 25.502 -7.739 -30.634 1.00 0.00 WAT +ATOM 11658 H1 TIP3 1783 24.667 -7.343 -30.945 1.00 0.00 WAT +ATOM 11659 H2 TIP3 1783 26.077 -6.962 -30.573 1.00 0.00 WAT +ATOM 11660 OH2 TIP3 1784 28.046 -5.938 -30.392 1.00 0.00 WAT +ATOM 11661 H1 TIP3 1784 27.976 -5.008 -30.677 1.00 0.00 WAT +ATOM 11662 H2 TIP3 1784 28.299 -6.374 -31.223 1.00 0.00 WAT +ATOM 11663 OH2 TIP3 1785 15.491 -7.378 -32.724 1.00 0.00 WAT +ATOM 11664 H1 TIP3 1785 15.474 -7.855 -31.865 1.00 0.00 WAT +ATOM 11665 H2 TIP3 1785 16.261 -7.807 -33.148 1.00 0.00 WAT +ATOM 11666 OH2 TIP3 1786 17.516 -8.638 -34.282 1.00 0.00 WAT +ATOM 11667 H1 TIP3 1786 17.365 -9.564 -33.997 1.00 0.00 WAT +ATOM 11668 H2 TIP3 1786 18.420 -8.472 -33.949 1.00 0.00 WAT +ATOM 11669 OH2 TIP3 1787 20.253 -8.158 -33.388 1.00 0.00 WAT +ATOM 11670 H1 TIP3 1787 20.478 -9.078 -33.601 1.00 0.00 WAT +ATOM 11671 H2 TIP3 1787 20.341 -8.172 -32.421 1.00 0.00 WAT +ATOM 11672 OH2 TIP3 1788 23.610 -22.259 -34.061 1.00 0.00 WAT +ATOM 11673 H1 TIP3 1788 22.929 -22.946 -33.926 1.00 0.00 WAT +ATOM 11674 H2 TIP3 1788 24.239 -22.712 -34.646 1.00 0.00 WAT +ATOM 11675 OH2 TIP3 1789 28.525 -24.193 -33.618 1.00 0.00 WAT +ATOM 11676 H1 TIP3 1789 29.318 -23.820 -34.045 1.00 0.00 WAT +ATOM 11677 H2 TIP3 1789 27.818 -23.938 -34.233 1.00 0.00 WAT +ATOM 11678 OH2 TIP3 1790 30.613 -23.143 -35.761 1.00 0.00 WAT +ATOM 11679 H1 TIP3 1790 31.333 -23.610 -36.225 1.00 0.00 WAT +ATOM 11680 H2 TIP3 1790 30.970 -22.230 -35.721 1.00 0.00 WAT +ATOM 11681 OH2 TIP3 1791 15.959 -23.541 -36.544 1.00 0.00 WAT +ATOM 11682 H1 TIP3 1791 15.090 -23.686 -36.969 1.00 0.00 WAT +ATOM 11683 H2 TIP3 1791 16.368 -24.418 -36.664 1.00 0.00 WAT +ATOM 11684 OH2 TIP3 1792 14.751 -24.002 -40.808 1.00 0.00 WAT +ATOM 11685 H1 TIP3 1792 15.329 -23.353 -41.270 1.00 0.00 WAT +ATOM 11686 H2 TIP3 1792 14.388 -23.462 -40.090 1.00 0.00 WAT +ATOM 11687 OH2 TIP3 1793 20.415 -23.696 -36.647 1.00 0.00 WAT +ATOM 11688 H1 TIP3 1793 21.337 -23.428 -36.793 1.00 0.00 WAT +ATOM 11689 H2 TIP3 1793 20.409 -23.828 -35.691 1.00 0.00 WAT +ATOM 11690 OH2 TIP3 1794 26.007 -23.679 -35.247 1.00 0.00 WAT +ATOM 11691 H1 TIP3 1794 26.291 -23.822 -36.161 1.00 0.00 WAT +ATOM 11692 H2 TIP3 1794 25.641 -24.551 -35.010 1.00 0.00 WAT +ATOM 11693 OH2 TIP3 1795 27.052 -23.642 -39.140 1.00 0.00 WAT +ATOM 11694 H1 TIP3 1795 26.275 -23.178 -39.494 1.00 0.00 WAT +ATOM 11695 H2 TIP3 1795 26.767 -24.567 -39.228 1.00 0.00 WAT +ATOM 11696 OH2 TIP3 1796 14.822 -8.099 -39.642 1.00 0.00 WAT +ATOM 11697 H1 TIP3 1796 14.111 -8.127 -40.305 1.00 0.00 WAT +ATOM 11698 H2 TIP3 1796 14.827 -7.160 -39.424 1.00 0.00 WAT +ATOM 11699 OH2 TIP3 1797 16.437 -22.294 -42.274 1.00 0.00 WAT +ATOM 11700 H1 TIP3 1797 17.000 -22.865 -42.815 1.00 0.00 WAT +ATOM 11701 H2 TIP3 1797 17.098 -21.759 -41.803 1.00 0.00 WAT +ATOM 11702 OH2 TIP3 1798 21.504 -22.050 -39.555 1.00 0.00 WAT +ATOM 11703 H1 TIP3 1798 21.909 -22.648 -38.907 1.00 0.00 WAT +ATOM 11704 H2 TIP3 1798 21.877 -21.206 -39.249 1.00 0.00 WAT +ATOM 11705 OH2 TIP3 1799 23.590 -6.470 -41.453 1.00 0.00 WAT +ATOM 11706 H1 TIP3 1799 24.564 -6.343 -41.488 1.00 0.00 WAT +ATOM 11707 H2 TIP3 1799 23.485 -7.077 -42.209 1.00 0.00 WAT +ATOM 11708 OH2 TIP3 1800 30.203 -7.265 -38.828 1.00 0.00 WAT +ATOM 11709 H1 TIP3 1800 29.925 -8.102 -39.254 1.00 0.00 WAT +ATOM 11710 H2 TIP3 1800 30.017 -6.612 -39.533 1.00 0.00 WAT +ATOM 11711 OH2 TIP3 1801 15.744 -23.394 -27.096 1.00 0.00 WAT +ATOM 11712 H1 TIP3 1801 15.389 -24.179 -26.648 1.00 0.00 WAT +ATOM 11713 H2 TIP3 1801 16.659 -23.377 -26.781 1.00 0.00 WAT +ATOM 11714 OH2 TIP3 1802 18.137 -23.927 -25.262 1.00 0.00 WAT +ATOM 11715 H1 TIP3 1802 18.951 -24.290 -25.663 1.00 0.00 WAT +ATOM 11716 H2 TIP3 1802 17.764 -24.719 -24.845 1.00 0.00 WAT +ATOM 11717 OH2 TIP3 1803 16.816 -7.032 -42.322 1.00 0.00 WAT +ATOM 11718 H1 TIP3 1803 16.414 -6.786 -41.481 1.00 0.00 WAT +ATOM 11719 H2 TIP3 1803 17.477 -7.687 -42.076 1.00 0.00 WAT +ATOM 11720 OH2 TIP3 1804 26.248 -24.845 -25.119 1.00 0.00 WAT +ATOM 11721 H1 TIP3 1804 26.260 -25.247 -24.228 1.00 0.00 WAT +ATOM 11722 H2 TIP3 1804 27.200 -24.821 -25.332 1.00 0.00 WAT +ATOM 11723 OH2 TIP3 1805 42.220 -15.901 -33.111 1.00 0.00 WAT +ATOM 11724 H1 TIP3 1805 42.933 -15.439 -32.629 1.00 0.00 WAT +ATOM 11725 H2 TIP3 1805 42.415 -15.677 -34.026 1.00 0.00 WAT +ATOM 11726 OH2 TIP3 1806 35.145 -15.801 -31.486 1.00 0.00 WAT +ATOM 11727 H1 TIP3 1806 35.177 -16.523 -30.836 1.00 0.00 WAT +ATOM 11728 H2 TIP3 1806 35.890 -15.249 -31.206 1.00 0.00 WAT +ATOM 11729 OH2 TIP3 1807 35.843 -11.481 -32.898 1.00 0.00 WAT +ATOM 11730 H1 TIP3 1807 35.727 -12.327 -33.368 1.00 0.00 WAT +ATOM 11731 H2 TIP3 1807 36.771 -11.273 -33.082 1.00 0.00 WAT +ATOM 11732 OH2 TIP3 1808 32.798 -17.811 -37.623 1.00 0.00 WAT +ATOM 11733 H1 TIP3 1808 32.479 -16.903 -37.499 1.00 0.00 WAT +ATOM 11734 H2 TIP3 1808 32.075 -18.210 -38.126 1.00 0.00 WAT +ATOM 11735 OH2 TIP3 1809 33.553 -15.337 -35.884 1.00 0.00 WAT +ATOM 11736 H1 TIP3 1809 33.759 -16.083 -35.293 1.00 0.00 WAT +ATOM 11737 H2 TIP3 1809 34.436 -15.091 -36.199 1.00 0.00 WAT +ATOM 11738 OH2 TIP3 1810 41.219 -12.883 -32.457 1.00 0.00 WAT +ATOM 11739 H1 TIP3 1810 41.457 -13.490 -33.171 1.00 0.00 WAT +ATOM 11740 H2 TIP3 1810 42.075 -12.674 -32.066 1.00 0.00 WAT +ATOM 11741 OH2 TIP3 1811 37.436 -20.524 -35.053 1.00 0.00 WAT +ATOM 11742 H1 TIP3 1811 37.575 -19.660 -35.494 1.00 0.00 WAT +ATOM 11743 H2 TIP3 1811 37.071 -21.032 -35.802 1.00 0.00 WAT +ATOM 11744 OH2 TIP3 1812 34.070 -17.836 -34.491 1.00 0.00 WAT +ATOM 11745 H1 TIP3 1812 34.769 -18.267 -33.974 1.00 0.00 WAT +ATOM 11746 H2 TIP3 1812 34.191 -18.248 -35.365 1.00 0.00 WAT +ATOM 11747 OH2 TIP3 1813 39.518 -16.427 -35.052 1.00 0.00 WAT +ATOM 11748 H1 TIP3 1813 40.253 -16.970 -34.706 1.00 0.00 WAT +ATOM 11749 H2 TIP3 1813 38.995 -17.098 -35.522 1.00 0.00 WAT +ATOM 11750 OH2 TIP3 1814 36.223 -21.739 -30.885 1.00 0.00 WAT +ATOM 11751 H1 TIP3 1814 35.841 -21.248 -31.629 1.00 0.00 WAT +ATOM 11752 H2 TIP3 1814 35.570 -21.558 -30.184 1.00 0.00 WAT +ATOM 11753 OH2 TIP3 1815 39.143 -13.894 -30.744 1.00 0.00 WAT +ATOM 11754 H1 TIP3 1815 38.440 -13.262 -30.489 1.00 0.00 WAT +ATOM 11755 H2 TIP3 1815 39.805 -13.303 -31.150 1.00 0.00 WAT +ATOM 11756 OH2 TIP3 1816 35.818 -19.705 -32.949 1.00 0.00 WAT +ATOM 11757 H1 TIP3 1816 36.459 -19.112 -32.497 1.00 0.00 WAT +ATOM 11758 H2 TIP3 1816 36.393 -20.056 -33.664 1.00 0.00 WAT +ATOM 11759 OH2 TIP3 1817 37.178 -11.947 -29.962 1.00 0.00 WAT +ATOM 11760 H1 TIP3 1817 37.152 -11.141 -30.509 1.00 0.00 WAT +ATOM 11761 H2 TIP3 1817 36.262 -11.964 -29.665 1.00 0.00 WAT +ATOM 11762 OH2 TIP3 1818 33.348 -12.203 -39.133 1.00 0.00 WAT +ATOM 11763 H1 TIP3 1818 33.293 -11.777 -40.009 1.00 0.00 WAT +ATOM 11764 H2 TIP3 1818 33.604 -11.476 -38.533 1.00 0.00 WAT +ATOM 11765 OH2 TIP3 1819 40.428 -24.264 -33.746 1.00 0.00 WAT +ATOM 11766 H1 TIP3 1819 40.152 -25.201 -33.746 1.00 0.00 WAT +ATOM 11767 H2 TIP3 1819 39.629 -23.832 -33.381 1.00 0.00 WAT +ATOM 11768 OH2 TIP3 1820 42.372 -15.242 -39.280 1.00 0.00 WAT +ATOM 11769 H1 TIP3 1820 41.646 -14.624 -39.444 1.00 0.00 WAT +ATOM 11770 H2 TIP3 1820 43.051 -14.906 -39.867 1.00 0.00 WAT +ATOM 11771 OH2 TIP3 1821 42.805 -16.964 -42.115 1.00 0.00 WAT +ATOM 11772 H1 TIP3 1821 43.435 -16.930 -41.379 1.00 0.00 WAT +ATOM 11773 H2 TIP3 1821 43.030 -17.796 -42.535 1.00 0.00 WAT +ATOM 11774 OH2 TIP3 1822 37.473 -14.609 -36.157 1.00 0.00 WAT +ATOM 11775 H1 TIP3 1822 37.311 -14.947 -37.060 1.00 0.00 WAT +ATOM 11776 H2 TIP3 1822 38.239 -15.133 -35.871 1.00 0.00 WAT +ATOM 11777 OH2 TIP3 1823 38.966 -11.250 -33.378 1.00 0.00 WAT +ATOM 11778 H1 TIP3 1823 38.933 -11.494 -34.317 1.00 0.00 WAT +ATOM 11779 H2 TIP3 1823 39.806 -11.654 -33.099 1.00 0.00 WAT +ATOM 11780 OH2 TIP3 1824 38.148 -15.719 -32.650 1.00 0.00 WAT +ATOM 11781 H1 TIP3 1824 38.716 -15.700 -33.446 1.00 0.00 WAT +ATOM 11782 H2 TIP3 1824 38.563 -15.034 -32.087 1.00 0.00 WAT +ATOM 11783 OH2 TIP3 1825 39.034 -11.384 -27.839 1.00 0.00 WAT +ATOM 11784 H1 TIP3 1825 38.522 -10.713 -27.359 1.00 0.00 WAT +ATOM 11785 H2 TIP3 1825 38.422 -11.601 -28.572 1.00 0.00 WAT +ATOM 11786 OH2 TIP3 1826 35.954 -15.023 -28.678 1.00 0.00 WAT +ATOM 11787 H1 TIP3 1826 36.016 -14.397 -27.932 1.00 0.00 WAT +ATOM 11788 H2 TIP3 1826 34.994 -15.105 -28.790 1.00 0.00 WAT +ATOM 11789 OH2 TIP3 1827 42.632 -9.280 -37.030 1.00 0.00 WAT +ATOM 11790 H1 TIP3 1827 42.990 -8.775 -36.282 1.00 0.00 WAT +ATOM 11791 H2 TIP3 1827 42.004 -8.652 -37.414 1.00 0.00 WAT +ATOM 11792 OH2 TIP3 1828 37.069 -9.171 -26.955 1.00 0.00 WAT +ATOM 11793 H1 TIP3 1828 37.060 -9.105 -27.932 1.00 0.00 WAT +ATOM 11794 H2 TIP3 1828 36.187 -9.527 -26.756 1.00 0.00 WAT +ATOM 11795 OH2 TIP3 1829 36.567 -15.823 -38.619 1.00 0.00 WAT +ATOM 11796 H1 TIP3 1829 36.620 -15.107 -39.271 1.00 0.00 WAT +ATOM 11797 H2 TIP3 1829 35.825 -16.331 -38.960 1.00 0.00 WAT +ATOM 11798 OH2 TIP3 1830 32.330 -13.048 -29.793 1.00 0.00 WAT +ATOM 11799 H1 TIP3 1830 32.062 -13.060 -30.730 1.00 0.00 WAT +ATOM 11800 H2 TIP3 1830 32.589 -13.970 -29.633 1.00 0.00 WAT +ATOM 11801 OH2 TIP3 1831 32.567 -10.270 -32.790 1.00 0.00 WAT +ATOM 11802 H1 TIP3 1831 33.506 -10.486 -32.931 1.00 0.00 WAT +ATOM 11803 H2 TIP3 1831 32.678 -9.363 -32.472 1.00 0.00 WAT +ATOM 11804 OH2 TIP3 1832 41.647 -10.299 -28.473 1.00 0.00 WAT +ATOM 11805 H1 TIP3 1832 41.787 -9.524 -27.918 1.00 0.00 WAT +ATOM 11806 H2 TIP3 1832 40.795 -10.653 -28.155 1.00 0.00 WAT +ATOM 11807 OH2 TIP3 1833 41.860 -6.491 -38.415 1.00 0.00 WAT +ATOM 11808 H1 TIP3 1833 42.012 -6.557 -39.368 1.00 0.00 WAT +ATOM 11809 H2 TIP3 1833 42.137 -5.599 -38.185 1.00 0.00 WAT +ATOM 11810 OH2 TIP3 1834 35.750 -7.468 -36.438 1.00 0.00 WAT +ATOM 11811 H1 TIP3 1834 35.896 -7.882 -35.569 1.00 0.00 WAT +ATOM 11812 H2 TIP3 1834 34.993 -7.988 -36.742 1.00 0.00 WAT +ATOM 11813 OH2 TIP3 1835 34.366 -11.379 -28.420 1.00 0.00 WAT +ATOM 11814 H1 TIP3 1835 34.966 -11.950 -27.914 1.00 0.00 WAT +ATOM 11815 H2 TIP3 1835 33.951 -11.970 -29.071 1.00 0.00 WAT +ATOM 11816 OH2 TIP3 1836 37.956 -23.110 -32.904 1.00 0.00 WAT +ATOM 11817 H1 TIP3 1836 37.146 -23.153 -33.437 1.00 0.00 WAT +ATOM 11818 H2 TIP3 1836 37.751 -22.352 -32.335 1.00 0.00 WAT +ATOM 11819 OH2 TIP3 1837 42.335 -23.726 -28.623 1.00 0.00 WAT +ATOM 11820 H1 TIP3 1837 42.453 -24.453 -27.995 1.00 0.00 WAT +ATOM 11821 H2 TIP3 1837 41.423 -23.901 -28.937 1.00 0.00 WAT +ATOM 11822 OH2 TIP3 1838 42.201 -21.002 -42.119 1.00 0.00 WAT +ATOM 11823 H1 TIP3 1838 41.623 -21.069 -41.350 1.00 0.00 WAT +ATOM 11824 H2 TIP3 1838 41.854 -21.698 -42.686 1.00 0.00 WAT +ATOM 11825 OH2 TIP3 1839 37.767 -18.296 -31.515 1.00 0.00 WAT +ATOM 11826 H1 TIP3 1839 37.240 -18.144 -30.718 1.00 0.00 WAT +ATOM 11827 H2 TIP3 1839 37.902 -17.384 -31.857 1.00 0.00 WAT +ATOM 11828 OH2 TIP3 1840 37.736 -18.252 -36.597 1.00 0.00 WAT +ATOM 11829 H1 TIP3 1840 36.775 -18.276 -36.757 1.00 0.00 WAT +ATOM 11830 H2 TIP3 1840 38.067 -18.304 -37.509 1.00 0.00 WAT +ATOM 11831 OH2 TIP3 1841 42.613 -17.221 -37.436 1.00 0.00 WAT +ATOM 11832 H1 TIP3 1841 42.159 -16.540 -37.976 1.00 0.00 WAT +ATOM 11833 H2 TIP3 1841 43.319 -16.669 -37.071 1.00 0.00 WAT +ATOM 11834 OH2 TIP3 1842 42.486 -17.433 -26.350 1.00 0.00 WAT +ATOM 11835 H1 TIP3 1842 41.966 -18.245 -26.165 1.00 0.00 WAT +ATOM 11836 H2 TIP3 1842 43.386 -17.807 -26.321 1.00 0.00 WAT +ATOM 11837 OH2 TIP3 1843 35.053 -18.137 -29.577 1.00 0.00 WAT +ATOM 11838 H1 TIP3 1843 35.502 -17.822 -28.783 1.00 0.00 WAT +ATOM 11839 H2 TIP3 1843 34.869 -19.066 -29.350 1.00 0.00 WAT +ATOM 11840 OH2 TIP3 1844 38.945 -20.748 -43.110 1.00 0.00 WAT +ATOM 11841 H1 TIP3 1844 38.547 -20.972 -42.249 1.00 0.00 WAT +ATOM 11842 H2 TIP3 1844 38.233 -20.196 -43.489 1.00 0.00 WAT +ATOM 11843 OH2 TIP3 1845 31.956 -20.704 -35.957 1.00 0.00 WAT +ATOM 11844 H1 TIP3 1845 32.604 -20.706 -35.234 1.00 0.00 WAT +ATOM 11845 H2 TIP3 1845 32.465 -21.010 -36.727 1.00 0.00 WAT +ATOM 11846 OH2 TIP3 1846 33.566 -20.238 -40.409 1.00 0.00 WAT +ATOM 11847 H1 TIP3 1846 34.140 -19.743 -41.027 1.00 0.00 WAT +ATOM 11848 H2 TIP3 1846 32.913 -19.559 -40.166 1.00 0.00 WAT +ATOM 11849 OH2 TIP3 1847 43.507 -16.874 -30.226 1.00 0.00 WAT +ATOM 11850 H1 TIP3 1847 43.776 -17.538 -30.895 1.00 0.00 WAT +ATOM 11851 H2 TIP3 1847 42.720 -17.303 -29.864 1.00 0.00 WAT +ATOM 11852 OH2 TIP3 1848 40.479 -20.889 -35.544 1.00 0.00 WAT +ATOM 11853 H1 TIP3 1848 39.541 -20.743 -35.339 1.00 0.00 WAT +ATOM 11854 H2 TIP3 1848 40.885 -20.562 -34.722 1.00 0.00 WAT +ATOM 11855 OH2 TIP3 1849 35.051 -19.442 -36.863 1.00 0.00 WAT +ATOM 11856 H1 TIP3 1849 34.267 -19.123 -37.349 1.00 0.00 WAT +ATOM 11857 H2 TIP3 1849 35.354 -20.202 -37.393 1.00 0.00 WAT +ATOM 11858 OH2 TIP3 1850 38.750 -19.104 -39.306 1.00 0.00 WAT +ATOM 11859 H1 TIP3 1850 39.665 -18.813 -39.192 1.00 0.00 WAT +ATOM 11860 H2 TIP3 1850 38.384 -18.452 -39.938 1.00 0.00 WAT +ATOM 11861 OH2 TIP3 1851 37.274 -17.961 -41.539 1.00 0.00 WAT +ATOM 11862 H1 TIP3 1851 36.745 -18.404 -42.221 1.00 0.00 WAT +ATOM 11863 H2 TIP3 1851 37.934 -17.476 -42.053 1.00 0.00 WAT +ATOM 11864 OH2 TIP3 1852 35.785 -13.126 -26.470 1.00 0.00 WAT +ATOM 11865 H1 TIP3 1852 36.490 -13.047 -25.790 1.00 0.00 WAT +ATOM 11866 H2 TIP3 1852 35.005 -12.960 -25.919 1.00 0.00 WAT +ATOM 11867 OH2 TIP3 1853 41.390 -18.593 -34.163 1.00 0.00 WAT +ATOM 11868 H1 TIP3 1853 42.240 -18.834 -34.549 1.00 0.00 WAT +ATOM 11869 H2 TIP3 1853 41.614 -18.547 -33.218 1.00 0.00 WAT +ATOM 11870 OH2 TIP3 1854 36.750 -21.746 -37.579 1.00 0.00 WAT +ATOM 11871 H1 TIP3 1854 36.259 -22.573 -37.424 1.00 0.00 WAT +ATOM 11872 H2 TIP3 1854 37.584 -22.071 -37.937 1.00 0.00 WAT +ATOM 11873 OH2 TIP3 1855 40.478 -19.759 -31.433 1.00 0.00 WAT +ATOM 11874 H1 TIP3 1855 39.807 -19.081 -31.616 1.00 0.00 WAT +ATOM 11875 H2 TIP3 1855 41.007 -19.338 -30.731 1.00 0.00 WAT +ATOM 11876 OH2 TIP3 1856 42.025 -13.415 -28.320 1.00 0.00 WAT +ATOM 11877 H1 TIP3 1856 41.881 -13.471 -27.370 1.00 0.00 WAT +ATOM 11878 H2 TIP3 1856 42.161 -12.467 -28.471 1.00 0.00 WAT +ATOM 11879 OH2 TIP3 1857 35.721 -14.081 -33.920 1.00 0.00 WAT +ATOM 11880 H1 TIP3 1857 36.358 -14.081 -34.660 1.00 0.00 WAT +ATOM 11881 H2 TIP3 1857 36.015 -14.846 -33.405 1.00 0.00 WAT +ATOM 11882 OH2 TIP3 1858 42.508 -12.134 -40.539 1.00 0.00 WAT +ATOM 11883 H1 TIP3 1858 42.443 -11.188 -40.305 1.00 0.00 WAT +ATOM 11884 H2 TIP3 1858 41.623 -12.424 -40.261 1.00 0.00 WAT +ATOM 11885 OH2 TIP3 1859 32.991 -15.561 -28.490 1.00 0.00 WAT +ATOM 11886 H1 TIP3 1859 33.241 -16.066 -27.689 1.00 0.00 WAT +ATOM 11887 H2 TIP3 1859 32.449 -16.191 -28.989 1.00 0.00 WAT +ATOM 11888 OH2 TIP3 1860 39.998 -16.129 -26.493 1.00 0.00 WAT +ATOM 11889 H1 TIP3 1860 39.719 -16.352 -27.395 1.00 0.00 WAT +ATOM 11890 H2 TIP3 1860 40.958 -16.306 -26.545 1.00 0.00 WAT +ATOM 11891 OH2 TIP3 1861 37.968 -10.372 -36.250 1.00 0.00 WAT +ATOM 11892 H1 TIP3 1861 38.623 -9.839 -36.714 1.00 0.00 WAT +ATOM 11893 H2 TIP3 1861 37.249 -10.436 -36.885 1.00 0.00 WAT +ATOM 11894 OH2 TIP3 1862 34.178 -15.783 -42.030 1.00 0.00 WAT +ATOM 11895 H1 TIP3 1862 34.754 -15.109 -41.614 1.00 0.00 WAT +ATOM 11896 H2 TIP3 1862 33.297 -15.518 -41.706 1.00 0.00 WAT +ATOM 11897 OH2 TIP3 1863 40.139 -12.788 -36.207 1.00 0.00 WAT +ATOM 11898 H1 TIP3 1863 40.053 -12.081 -36.856 1.00 0.00 WAT +ATOM 11899 H2 TIP3 1863 39.450 -13.397 -36.491 1.00 0.00 WAT +ATOM 11900 OH2 TIP3 1864 40.201 -8.534 -30.508 1.00 0.00 WAT +ATOM 11901 H1 TIP3 1864 40.822 -7.937 -30.960 1.00 0.00 WAT +ATOM 11902 H2 TIP3 1864 40.808 -9.157 -30.076 1.00 0.00 WAT +ATOM 11903 OH2 TIP3 1865 38.621 -7.637 -37.509 1.00 0.00 WAT +ATOM 11904 H1 TIP3 1865 37.713 -7.662 -37.172 1.00 0.00 WAT +ATOM 11905 H2 TIP3 1865 38.957 -6.812 -37.126 1.00 0.00 WAT +ATOM 11906 OH2 TIP3 1866 34.315 -20.913 -28.890 1.00 0.00 WAT +ATOM 11907 H1 TIP3 1866 33.420 -20.824 -29.242 1.00 0.00 WAT +ATOM 11908 H2 TIP3 1866 34.265 -21.798 -28.487 1.00 0.00 WAT +ATOM 11909 OH2 TIP3 1867 40.166 -10.546 -42.856 1.00 0.00 WAT +ATOM 11910 H1 TIP3 1867 40.313 -11.361 -43.349 1.00 0.00 WAT +ATOM 11911 H2 TIP3 1867 39.719 -10.912 -42.062 1.00 0.00 WAT +ATOM 11912 OH2 TIP3 1868 35.497 -13.656 -40.526 1.00 0.00 WAT +ATOM 11913 H1 TIP3 1868 34.876 -13.221 -39.914 1.00 0.00 WAT +ATOM 11914 H2 TIP3 1868 36.239 -13.026 -40.544 1.00 0.00 WAT +ATOM 11915 OH2 TIP3 1869 43.378 -20.639 -29.828 1.00 0.00 WAT +ATOM 11916 H1 TIP3 1869 43.836 -21.416 -29.505 1.00 0.00 WAT +ATOM 11917 H2 TIP3 1869 42.730 -21.025 -30.436 1.00 0.00 WAT +ATOM 11918 OH2 TIP3 1870 41.899 -9.290 -40.204 1.00 0.00 WAT +ATOM 11919 H1 TIP3 1870 40.951 -9.172 -40.039 1.00 0.00 WAT +ATOM 11920 H2 TIP3 1870 42.039 -8.731 -40.975 1.00 0.00 WAT +ATOM 11921 OH2 TIP3 1871 41.540 -19.679 -38.102 1.00 0.00 WAT +ATOM 11922 H1 TIP3 1871 42.012 -18.857 -37.846 1.00 0.00 WAT +ATOM 11923 H2 TIP3 1871 41.120 -19.890 -37.252 1.00 0.00 WAT +ATOM 11924 OH2 TIP3 1872 41.616 -18.803 -28.932 1.00 0.00 WAT +ATOM 11925 H1 TIP3 1872 41.830 -18.250 -28.168 1.00 0.00 WAT +ATOM 11926 H2 TIP3 1872 42.361 -19.435 -28.964 1.00 0.00 WAT +ATOM 11927 OH2 TIP3 1873 41.976 -22.699 -36.945 1.00 0.00 WAT +ATOM 11928 H1 TIP3 1873 41.636 -21.919 -36.444 1.00 0.00 WAT +ATOM 11929 H2 TIP3 1873 42.704 -22.306 -37.458 1.00 0.00 WAT +ATOM 11930 OH2 TIP3 1874 38.707 -8.356 -40.405 1.00 0.00 WAT +ATOM 11931 H1 TIP3 1874 38.937 -7.481 -40.749 1.00 0.00 WAT +ATOM 11932 H2 TIP3 1874 38.729 -8.225 -39.442 1.00 0.00 WAT +ATOM 11933 OH2 TIP3 1875 37.680 -21.552 -40.803 1.00 0.00 WAT +ATOM 11934 H1 TIP3 1875 37.638 -20.796 -40.191 1.00 0.00 WAT +ATOM 11935 H2 TIP3 1875 38.412 -22.071 -40.444 1.00 0.00 WAT +ATOM 11936 OH2 TIP3 1876 36.241 -10.520 -41.574 1.00 0.00 WAT +ATOM 11937 H1 TIP3 1876 37.033 -10.263 -41.074 1.00 0.00 WAT +ATOM 11938 H2 TIP3 1876 36.609 -11.211 -42.143 1.00 0.00 WAT +ATOM 11939 OH2 TIP3 1877 34.317 -18.542 -42.615 1.00 0.00 WAT +ATOM 11940 H1 TIP3 1877 34.468 -17.595 -42.413 1.00 0.00 WAT +ATOM 11941 H2 TIP3 1877 33.391 -18.524 -42.909 1.00 0.00 WAT +ATOM 11942 OH2 TIP3 1878 35.049 -23.499 -33.762 1.00 0.00 WAT +ATOM 11943 H1 TIP3 1878 35.034 -23.633 -34.730 1.00 0.00 WAT +ATOM 11944 H2 TIP3 1878 34.811 -24.386 -33.433 1.00 0.00 WAT +ATOM 11945 OH2 TIP3 1879 34.043 -9.893 -37.427 1.00 0.00 WAT +ATOM 11946 H1 TIP3 1879 33.223 -9.391 -37.356 1.00 0.00 WAT +ATOM 11947 H2 TIP3 1879 34.475 -9.476 -38.184 1.00 0.00 WAT +ATOM 11948 OH2 TIP3 1880 33.365 -7.167 -26.279 1.00 0.00 WAT +ATOM 11949 H1 TIP3 1880 34.053 -7.360 -25.612 1.00 0.00 WAT +ATOM 11950 H2 TIP3 1880 32.915 -8.013 -26.346 1.00 0.00 WAT +ATOM 11951 OH2 TIP3 1881 38.158 -8.021 -24.528 1.00 0.00 WAT +ATOM 11952 H1 TIP3 1881 38.815 -8.689 -24.269 1.00 0.00 WAT +ATOM 11953 H2 TIP3 1881 37.889 -8.368 -25.398 1.00 0.00 WAT +ATOM 11954 OH2 TIP3 1882 42.276 -8.729 -43.167 1.00 0.00 WAT +ATOM 11955 H1 TIP3 1882 41.448 -9.257 -43.142 1.00 0.00 WAT +ATOM 11956 H2 TIP3 1882 42.865 -9.363 -43.595 1.00 0.00 WAT +ATOM 11957 OH2 TIP3 1883 33.065 -13.381 -25.495 1.00 0.00 WAT +ATOM 11958 H1 TIP3 1883 33.345 -14.287 -25.709 1.00 0.00 WAT +ATOM 11959 H2 TIP3 1883 32.621 -13.114 -26.303 1.00 0.00 WAT +ATOM 11960 OH2 TIP3 1884 37.612 -13.057 -43.222 1.00 0.00 WAT +ATOM 11961 H1 TIP3 1884 37.852 -13.392 -42.342 1.00 0.00 WAT +ATOM 11962 H2 TIP3 1884 38.459 -13.101 -43.683 1.00 0.00 WAT +ATOM 11963 OH2 TIP3 1885 40.004 -13.300 -25.827 1.00 0.00 WAT +ATOM 11964 H1 TIP3 1885 39.786 -12.962 -26.712 1.00 0.00 WAT +ATOM 11965 H2 TIP3 1885 40.161 -14.252 -25.980 1.00 0.00 WAT +ATOM 11966 OH2 TIP3 1886 42.923 -11.920 -43.572 1.00 0.00 WAT +ATOM 11967 H1 TIP3 1886 43.075 -11.739 -42.621 1.00 0.00 WAT +ATOM 11968 H2 TIP3 1886 43.294 -12.803 -43.684 1.00 0.00 WAT +ATOM 11969 OH2 TIP3 1887 34.206 -16.356 -25.981 1.00 0.00 WAT +ATOM 11970 H1 TIP3 1887 34.999 -16.922 -25.986 1.00 0.00 WAT +ATOM 11971 H2 TIP3 1887 34.215 -16.056 -25.052 1.00 0.00 WAT +ATOM 11972 OH2 TIP3 1888 37.898 -17.219 -28.605 1.00 0.00 WAT +ATOM 11973 H1 TIP3 1888 37.410 -16.408 -28.363 1.00 0.00 WAT +ATOM 11974 H2 TIP3 1888 38.546 -16.870 -29.240 1.00 0.00 WAT +ATOM 11975 OH2 TIP3 1889 39.956 -16.575 -42.645 1.00 0.00 WAT +ATOM 11976 H1 TIP3 1889 39.899 -16.967 -43.522 1.00 0.00 WAT +ATOM 11977 H2 TIP3 1889 40.892 -16.683 -42.403 1.00 0.00 WAT +ATOM 11978 OH2 TIP3 1890 42.672 -14.819 -24.882 1.00 0.00 WAT +ATOM 11979 H1 TIP3 1890 43.539 -14.845 -25.300 1.00 0.00 WAT +ATOM 11980 H2 TIP3 1890 42.705 -15.592 -24.297 1.00 0.00 WAT +ATOM 11981 OH2 TIP3 1891 38.534 -19.931 -27.402 1.00 0.00 WAT +ATOM 11982 H1 TIP3 1891 38.639 -20.573 -28.127 1.00 0.00 WAT +ATOM 11983 H2 TIP3 1891 38.390 -19.106 -27.895 1.00 0.00 WAT +ATOM 11984 OH2 TIP3 1892 38.861 -21.477 -29.973 1.00 0.00 WAT +ATOM 11985 H1 TIP3 1892 39.377 -20.902 -30.579 1.00 0.00 WAT +ATOM 11986 H2 TIP3 1892 37.958 -21.432 -30.345 1.00 0.00 WAT +ATOM 11987 OH2 TIP3 1893 40.638 -16.093 -29.676 1.00 0.00 WAT +ATOM 11988 H1 TIP3 1893 41.347 -16.076 -30.332 1.00 0.00 WAT +ATOM 11989 H2 TIP3 1893 40.294 -15.188 -29.768 1.00 0.00 WAT +ATOM 11990 OH2 TIP3 1894 36.679 -18.068 -25.644 1.00 0.00 WAT +ATOM 11991 H1 TIP3 1894 36.181 -18.906 -25.642 1.00 0.00 WAT +ATOM 11992 H2 TIP3 1894 37.512 -18.330 -26.067 1.00 0.00 WAT +ATOM 11993 OH2 TIP3 1895 39.716 -24.093 -29.610 1.00 0.00 WAT +ATOM 11994 H1 TIP3 1895 39.477 -23.158 -29.792 1.00 0.00 WAT +ATOM 11995 H2 TIP3 1895 39.059 -24.562 -30.160 1.00 0.00 WAT +ATOM 11996 OH2 TIP3 1896 41.037 -19.692 -25.844 1.00 0.00 WAT +ATOM 11997 H1 TIP3 1896 40.603 -19.871 -24.995 1.00 0.00 WAT +ATOM 11998 H2 TIP3 1896 40.299 -19.870 -26.456 1.00 0.00 WAT +ATOM 11999 OH2 TIP3 1897 35.344 -20.617 -25.788 1.00 0.00 WAT +ATOM 12000 H1 TIP3 1897 35.333 -21.342 -26.431 1.00 0.00 WAT +ATOM 12001 H2 TIP3 1897 35.197 -21.096 -24.950 1.00 0.00 WAT +ATOM 12002 OH2 TIP3 1898 39.443 -24.630 -26.789 1.00 0.00 WAT +ATOM 12003 H1 TIP3 1898 40.044 -25.386 -26.742 1.00 0.00 WAT +ATOM 12004 H2 TIP3 1898 39.415 -24.475 -27.753 1.00 0.00 WAT +ATOM 12005 OH2 TIP3 1899 40.342 -22.846 -24.829 1.00 0.00 WAT +ATOM 12006 H1 TIP3 1899 40.073 -23.378 -25.605 1.00 0.00 WAT +ATOM 12007 H2 TIP3 1899 39.740 -22.087 -24.880 1.00 0.00 WAT +ATOM 12008 OH2 TIP3 1900 39.565 -5.695 -41.629 1.00 0.00 WAT +ATOM 12009 H1 TIP3 1900 40.531 -5.690 -41.626 1.00 0.00 WAT +ATOM 12010 H2 TIP3 1900 39.337 -5.205 -42.433 1.00 0.00 WAT +ATOM 12011 OH2 TIP3 1901 33.339 -11.635 -41.967 1.00 0.00 WAT +ATOM 12012 H1 TIP3 1901 34.267 -11.346 -41.950 1.00 0.00 WAT +ATOM 12013 H2 TIP3 1901 33.327 -12.220 -42.738 1.00 0.00 WAT +ATOM 12014 OH2 TIP3 1902 32.365 -6.139 -37.157 1.00 0.00 WAT +ATOM 12015 H1 TIP3 1902 31.659 -6.538 -37.702 1.00 0.00 WAT +ATOM 12016 H2 TIP3 1902 32.459 -6.809 -36.444 1.00 0.00 WAT +ATOM 12017 OH2 TIP3 1903 32.663 -8.041 -35.163 1.00 0.00 WAT +ATOM 12018 H1 TIP3 1903 32.478 -8.960 -34.927 1.00 0.00 WAT +ATOM 12019 H2 TIP3 1903 33.257 -7.818 -34.409 1.00 0.00 WAT +ATOM 12020 OH2 TIP3 1904 32.810 -14.839 -32.749 1.00 0.00 WAT +ATOM 12021 H1 TIP3 1904 33.051 -14.701 -33.679 1.00 0.00 WAT +ATOM 12022 H2 TIP3 1904 33.701 -15.011 -32.374 1.00 0.00 WAT +ATOM 12023 OH2 TIP3 1905 32.691 -19.391 -26.533 1.00 0.00 WAT +ATOM 12024 H1 TIP3 1905 33.627 -19.613 -26.362 1.00 0.00 WAT +ATOM 12025 H2 TIP3 1905 32.250 -20.241 -26.355 1.00 0.00 WAT +ATOM 12026 OH2 TIP3 1906 33.342 -21.151 -33.422 1.00 0.00 WAT +ATOM 12027 H1 TIP3 1906 33.842 -21.988 -33.469 1.00 0.00 WAT +ATOM 12028 H2 TIP3 1906 34.052 -20.525 -33.194 1.00 0.00 WAT +ATOM 12029 OH2 TIP3 1907 32.033 -18.411 -32.411 1.00 0.00 WAT +ATOM 12030 H1 TIP3 1907 32.568 -18.555 -33.210 1.00 0.00 WAT +ATOM 12031 H2 TIP3 1907 32.407 -17.570 -32.116 1.00 0.00 WAT +ATOM 12032 OH2 TIP3 1908 32.535 -21.995 -38.478 1.00 0.00 WAT +ATOM 12033 H1 TIP3 1908 31.594 -22.046 -38.713 1.00 0.00 WAT +ATOM 12034 H2 TIP3 1908 32.916 -21.463 -39.203 1.00 0.00 WAT +ATOM 12035 OH2 TIP3 1909 32.584 -23.029 -30.273 1.00 0.00 WAT +ATOM 12036 H1 TIP3 1909 31.932 -23.629 -29.902 1.00 0.00 WAT +ATOM 12037 H2 TIP3 1909 32.114 -22.715 -31.064 1.00 0.00 WAT +ATOM 12038 OH2 TIP3 1910 34.429 -10.201 -25.640 1.00 0.00 WAT +ATOM 12039 H1 TIP3 1910 33.780 -10.172 -26.348 1.00 0.00 WAT +ATOM 12040 H2 TIP3 1910 33.933 -10.095 -24.819 1.00 0.00 WAT +ATOM 12041 OH2 TIP3 1911 37.469 -9.066 -29.819 1.00 0.00 WAT +ATOM 12042 H1 TIP3 1911 36.966 -8.454 -30.377 1.00 0.00 WAT +ATOM 12043 H2 TIP3 1911 38.380 -8.929 -30.148 1.00 0.00 WAT +ATOM 12044 OH2 TIP3 1912 42.204 -7.389 -27.062 1.00 0.00 WAT +ATOM 12045 H1 TIP3 1912 42.005 -7.850 -26.223 1.00 0.00 WAT +ATOM 12046 H2 TIP3 1912 43.177 -7.407 -27.026 1.00 0.00 WAT +ATOM 12047 OH2 TIP3 1913 34.776 -6.137 -29.572 1.00 0.00 WAT +ATOM 12048 H1 TIP3 1913 34.210 -5.582 -30.131 1.00 0.00 WAT +ATOM 12049 H2 TIP3 1913 34.349 -6.063 -28.716 1.00 0.00 WAT +ATOM 12050 OH2 TIP3 1914 37.475 -6.117 -30.827 1.00 0.00 WAT +ATOM 12051 H1 TIP3 1914 36.574 -6.261 -30.477 1.00 0.00 WAT +ATOM 12052 H2 TIP3 1914 37.278 -5.919 -31.752 1.00 0.00 WAT +ATOM 12053 OH2 TIP3 1915 42.141 -6.625 -31.633 1.00 0.00 WAT +ATOM 12054 H1 TIP3 1915 41.736 -6.190 -32.403 1.00 0.00 WAT +ATOM 12055 H2 TIP3 1915 42.172 -5.931 -30.980 1.00 0.00 WAT +ATOM 12056 OH2 TIP3 1916 39.160 -7.993 -33.459 1.00 0.00 WAT +ATOM 12057 H1 TIP3 1916 39.005 -8.883 -33.818 1.00 0.00 WAT +ATOM 12058 H2 TIP3 1916 38.908 -8.138 -32.538 1.00 0.00 WAT +ATOM 12059 OH2 TIP3 1917 42.702 -22.655 -34.048 1.00 0.00 WAT +ATOM 12060 H1 TIP3 1917 41.823 -23.054 -33.923 1.00 0.00 WAT +ATOM 12061 H2 TIP3 1917 42.913 -22.954 -34.937 1.00 0.00 WAT +ATOM 12062 OH2 TIP3 1918 35.063 -24.008 -36.612 1.00 0.00 WAT +ATOM 12063 H1 TIP3 1918 34.167 -24.044 -37.004 1.00 0.00 WAT +ATOM 12064 H2 TIP3 1918 35.273 -24.949 -36.563 1.00 0.00 WAT +ATOM 12065 OH2 TIP3 1919 33.522 -23.962 -40.867 1.00 0.00 WAT +ATOM 12066 H1 TIP3 1919 34.183 -23.354 -41.261 1.00 0.00 WAT +ATOM 12067 H2 TIP3 1919 33.296 -23.511 -40.040 1.00 0.00 WAT +ATOM 12068 OH2 TIP3 1920 39.321 -23.734 -36.651 1.00 0.00 WAT +ATOM 12069 H1 TIP3 1920 40.252 -23.454 -36.715 1.00 0.00 WAT +ATOM 12070 H2 TIP3 1920 39.250 -23.855 -35.696 1.00 0.00 WAT +ATOM 12071 OH2 TIP3 1921 33.661 -8.101 -39.661 1.00 0.00 WAT +ATOM 12072 H1 TIP3 1921 32.953 -8.106 -40.326 1.00 0.00 WAT +ATOM 12073 H2 TIP3 1921 33.684 -7.171 -39.413 1.00 0.00 WAT +ATOM 12074 OH2 TIP3 1922 35.270 -22.279 -42.317 1.00 0.00 WAT +ATOM 12075 H1 TIP3 1922 35.842 -22.880 -42.810 1.00 0.00 WAT +ATOM 12076 H2 TIP3 1922 35.919 -21.766 -41.805 1.00 0.00 WAT +ATOM 12077 OH2 TIP3 1923 40.721 -22.094 -39.649 1.00 0.00 WAT +ATOM 12078 H1 TIP3 1923 40.642 -22.655 -38.864 1.00 0.00 WAT +ATOM 12079 H2 TIP3 1923 40.546 -21.213 -39.281 1.00 0.00 WAT +ATOM 12080 OH2 TIP3 1924 42.665 -6.531 -41.493 1.00 0.00 WAT +ATOM 12081 H1 TIP3 1924 43.570 -6.224 -41.669 1.00 0.00 WAT +ATOM 12082 H2 TIP3 1924 42.507 -7.140 -42.245 1.00 0.00 WAT +ATOM 12083 OH2 TIP3 1925 34.558 -23.333 -26.971 1.00 0.00 WAT +ATOM 12084 H1 TIP3 1925 34.220 -24.184 -26.639 1.00 0.00 WAT +ATOM 12085 H2 TIP3 1925 35.503 -23.431 -26.762 1.00 0.00 WAT +ATOM 12086 OH2 TIP3 1926 36.974 -23.941 -25.282 1.00 0.00 WAT +ATOM 12087 H1 TIP3 1926 37.813 -24.274 -25.660 1.00 0.00 WAT +ATOM 12088 H2 TIP3 1926 36.649 -24.739 -24.833 1.00 0.00 WAT +ATOM 12089 OH2 TIP3 1927 35.729 -6.973 -42.307 1.00 0.00 WAT +ATOM 12090 H1 TIP3 1927 35.263 -6.864 -41.471 1.00 0.00 WAT +ATOM 12091 H2 TIP3 1927 36.348 -7.690 -42.117 1.00 0.00 WAT +ATOM 12092 OH2 TIP3 1928 -31.726 4.022 -36.694 1.00 0.00 WAT +ATOM 12093 H1 TIP3 1928 -31.751 4.926 -36.347 1.00 0.00 WAT +ATOM 12094 H2 TIP3 1928 -32.463 4.009 -37.321 1.00 0.00 WAT +ATOM 12095 OH2 TIP3 1929 -40.332 3.108 -31.522 1.00 0.00 WAT +ATOM 12096 H1 TIP3 1929 -40.352 2.335 -30.927 1.00 0.00 WAT +ATOM 12097 H2 TIP3 1929 -39.520 3.541 -31.217 1.00 0.00 WAT +ATOM 12098 OH2 TIP3 1930 -29.045 6.210 -34.890 1.00 0.00 WAT +ATOM 12099 H1 TIP3 1930 -29.593 5.482 -34.518 1.00 0.00 WAT +ATOM 12100 H2 TIP3 1930 -28.790 6.648 -34.078 1.00 0.00 WAT +ATOM 12101 OH2 TIP3 1931 -39.742 7.509 -32.865 1.00 0.00 WAT +ATOM 12102 H1 TIP3 1931 -39.777 6.672 -33.387 1.00 0.00 WAT +ATOM 12103 H2 TIP3 1931 -38.777 7.568 -32.749 1.00 0.00 WAT +ATOM 12104 OH2 TIP3 1932 -41.732 2.043 -38.381 1.00 0.00 WAT +ATOM 12105 H1 TIP3 1932 -42.266 2.657 -37.854 1.00 0.00 WAT +ATOM 12106 H2 TIP3 1932 -42.141 1.208 -38.139 1.00 0.00 WAT +ATOM 12107 OH2 TIP3 1933 -42.075 3.580 -35.781 1.00 0.00 WAT +ATOM 12108 H1 TIP3 1933 -41.858 2.776 -35.277 1.00 0.00 WAT +ATOM 12109 H2 TIP3 1933 -41.237 3.795 -36.204 1.00 0.00 WAT +ATOM 12110 OH2 TIP3 1934 -31.833 11.660 -34.218 1.00 0.00 WAT +ATOM 12111 H1 TIP3 1934 -31.488 10.902 -34.736 1.00 0.00 WAT +ATOM 12112 H2 TIP3 1934 -32.541 11.262 -33.702 1.00 0.00 WAT +ATOM 12113 OH2 TIP3 1935 -34.207 5.901 -32.622 1.00 0.00 WAT +ATOM 12114 H1 TIP3 1935 -33.860 5.234 -33.239 1.00 0.00 WAT +ATOM 12115 H2 TIP3 1935 -33.384 6.054 -32.127 1.00 0.00 WAT +ATOM 12116 OH2 TIP3 1936 -25.538 -2.511 -31.975 1.00 0.00 WAT +ATOM 12117 H1 TIP3 1936 -25.393 -1.855 -31.272 1.00 0.00 WAT +ATOM 12118 H2 TIP3 1936 -24.987 -2.137 -32.685 1.00 0.00 WAT +ATOM 12119 OH2 TIP3 1937 -30.936 0.317 -32.104 1.00 0.00 WAT +ATOM 12120 H1 TIP3 1937 -30.818 -0.645 -32.149 1.00 0.00 WAT +ATOM 12121 H2 TIP3 1937 -31.024 0.550 -33.039 1.00 0.00 WAT +ATOM 12122 OH2 TIP3 1938 -38.039 -1.662 -35.052 1.00 0.00 WAT +ATOM 12123 H1 TIP3 1938 -37.842 -0.815 -35.500 1.00 0.00 WAT +ATOM 12124 H2 TIP3 1938 -38.347 -2.192 -35.811 1.00 0.00 WAT +ATOM 12125 OH2 TIP3 1939 -30.154 -1.598 -36.818 1.00 0.00 WAT +ATOM 12126 H1 TIP3 1939 -29.603 -1.969 -36.099 1.00 0.00 WAT +ATOM 12127 H2 TIP3 1939 -29.513 -1.034 -37.272 1.00 0.00 WAT +ATOM 12128 OH2 TIP3 1940 -41.372 1.126 -34.507 1.00 0.00 WAT +ATOM 12129 H1 TIP3 1940 -40.777 0.675 -33.882 1.00 0.00 WAT +ATOM 12130 H2 TIP3 1940 -41.244 0.577 -35.299 1.00 0.00 WAT +ATOM 12131 OH2 TIP3 1941 -35.963 2.467 -35.051 1.00 0.00 WAT +ATOM 12132 H1 TIP3 1941 -35.176 2.006 -34.678 1.00 0.00 WAT +ATOM 12133 H2 TIP3 1941 -36.393 1.732 -35.523 1.00 0.00 WAT +ATOM 12134 OH2 TIP3 1942 -24.802 -1.050 -29.499 1.00 0.00 WAT +ATOM 12135 H1 TIP3 1942 -25.431 -0.373 -29.806 1.00 0.00 WAT +ATOM 12136 H2 TIP3 1942 -25.148 -1.190 -28.604 1.00 0.00 WAT +ATOM 12137 OH2 TIP3 1943 -39.156 -2.835 -30.938 1.00 0.00 WAT +ATOM 12138 H1 TIP3 1943 -39.600 -2.379 -31.668 1.00 0.00 WAT +ATOM 12139 H2 TIP3 1943 -39.728 -2.644 -30.186 1.00 0.00 WAT +ATOM 12140 OH2 TIP3 1944 -31.669 6.985 -37.527 1.00 0.00 WAT +ATOM 12141 H1 TIP3 1944 -32.014 6.660 -38.360 1.00 0.00 WAT +ATOM 12142 H2 TIP3 1944 -32.169 7.797 -37.384 1.00 0.00 WAT +ATOM 12143 OH2 TIP3 1945 -36.272 5.037 -30.721 1.00 0.00 WAT +ATOM 12144 H1 TIP3 1945 -37.019 5.647 -30.565 1.00 0.00 WAT +ATOM 12145 H2 TIP3 1945 -35.619 5.592 -31.182 1.00 0.00 WAT +ATOM 12146 OH2 TIP3 1946 -28.265 -2.297 -34.675 1.00 0.00 WAT +ATOM 12147 H1 TIP3 1946 -28.783 -2.773 -34.013 1.00 0.00 WAT +ATOM 12148 H2 TIP3 1946 -27.837 -1.613 -34.126 1.00 0.00 WAT +ATOM 12149 OH2 TIP3 1947 -39.591 -0.788 -32.969 1.00 0.00 WAT +ATOM 12150 H1 TIP3 1947 -38.923 -0.239 -32.498 1.00 0.00 WAT +ATOM 12151 H2 TIP3 1947 -39.020 -1.164 -33.678 1.00 0.00 WAT +ATOM 12152 OH2 TIP3 1948 -38.378 6.877 -30.102 1.00 0.00 WAT +ATOM 12153 H1 TIP3 1948 -38.346 7.836 -30.264 1.00 0.00 WAT +ATOM 12154 H2 TIP3 1948 -39.166 6.765 -29.544 1.00 0.00 WAT +ATOM 12155 OH2 TIP3 1949 -41.828 6.527 -39.153 1.00 0.00 WAT +ATOM 12156 H1 TIP3 1949 -42.590 6.711 -39.746 1.00 0.00 WAT +ATOM 12157 H2 TIP3 1949 -41.982 7.144 -38.427 1.00 0.00 WAT +ATOM 12158 OH2 TIP3 1950 -28.639 8.126 -32.114 1.00 0.00 WAT +ATOM 12159 H1 TIP3 1950 -29.554 7.864 -32.285 1.00 0.00 WAT +ATOM 12160 H2 TIP3 1950 -28.445 8.785 -32.795 1.00 0.00 WAT +ATOM 12161 OH2 TIP3 1951 -28.164 -3.148 -30.928 1.00 0.00 WAT +ATOM 12162 H1 TIP3 1951 -28.935 -2.664 -31.276 1.00 0.00 WAT +ATOM 12163 H2 TIP3 1951 -27.458 -2.887 -31.548 1.00 0.00 WAT +ATOM 12164 OH2 TIP3 1952 -35.065 -5.393 -33.826 1.00 0.00 WAT +ATOM 12165 H1 TIP3 1952 -35.294 -6.341 -33.835 1.00 0.00 WAT +ATOM 12166 H2 TIP3 1952 -35.870 -4.999 -33.430 1.00 0.00 WAT +ATOM 12167 OH2 TIP3 1953 -30.178 9.969 -35.678 1.00 0.00 WAT +ATOM 12168 H1 TIP3 1953 -29.784 9.145 -36.043 1.00 0.00 WAT +ATOM 12169 H2 TIP3 1953 -29.462 10.611 -35.857 1.00 0.00 WAT +ATOM 12170 OH2 TIP3 1954 -28.769 7.893 -37.134 1.00 0.00 WAT +ATOM 12171 H1 TIP3 1954 -29.251 7.444 -37.845 1.00 0.00 WAT +ATOM 12172 H2 TIP3 1954 -28.780 7.195 -36.445 1.00 0.00 WAT +ATOM 12173 OH2 TIP3 1955 -27.260 6.685 -28.813 1.00 0.00 WAT +ATOM 12174 H1 TIP3 1955 -27.366 5.919 -29.410 1.00 0.00 WAT +ATOM 12175 H2 TIP3 1955 -26.972 7.381 -29.419 1.00 0.00 WAT +ATOM 12176 OH2 TIP3 1956 -33.005 3.509 -39.194 1.00 0.00 WAT +ATOM 12177 H1 TIP3 1956 -33.638 4.150 -39.564 1.00 0.00 WAT +ATOM 12178 H2 TIP3 1956 -32.249 3.579 -39.798 1.00 0.00 WAT +ATOM 12179 OH2 TIP3 1957 -32.763 1.795 -42.099 1.00 0.00 WAT +ATOM 12180 H1 TIP3 1957 -32.114 2.073 -41.432 1.00 0.00 WAT +ATOM 12181 H2 TIP3 1957 -32.204 1.184 -42.631 1.00 0.00 WAT +ATOM 12182 OH2 TIP3 1958 -25.450 2.893 -30.777 1.00 0.00 WAT +ATOM 12183 H1 TIP3 1958 -26.250 3.441 -30.677 1.00 0.00 WAT +ATOM 12184 H2 TIP3 1958 -25.053 3.256 -31.589 1.00 0.00 WAT +ATOM 12185 OH2 TIP3 1959 -29.355 3.527 -37.965 1.00 0.00 WAT +ATOM 12186 H1 TIP3 1959 -30.090 3.722 -37.335 1.00 0.00 WAT +ATOM 12187 H2 TIP3 1959 -28.785 2.967 -37.406 1.00 0.00 WAT +ATOM 12188 OH2 TIP3 1960 -29.597 2.062 -29.195 1.00 0.00 WAT +ATOM 12189 H1 TIP3 1960 -29.503 2.814 -28.595 1.00 0.00 WAT +ATOM 12190 H2 TIP3 1960 -30.283 2.404 -29.791 1.00 0.00 WAT +ATOM 12191 OH2 TIP3 1961 -37.841 4.334 -36.151 1.00 0.00 WAT +ATOM 12192 H1 TIP3 1961 -38.139 3.883 -36.965 1.00 0.00 WAT +ATOM 12193 H2 TIP3 1961 -37.190 3.693 -35.801 1.00 0.00 WAT +ATOM 12194 OH2 TIP3 1962 -36.432 7.711 -33.402 1.00 0.00 WAT +ATOM 12195 H1 TIP3 1962 -36.535 7.326 -34.283 1.00 0.00 WAT +ATOM 12196 H2 TIP3 1962 -35.655 7.217 -33.072 1.00 0.00 WAT +ATOM 12197 OH2 TIP3 1963 -37.325 3.234 -32.691 1.00 0.00 WAT +ATOM 12198 H1 TIP3 1963 -36.718 3.139 -33.455 1.00 0.00 WAT +ATOM 12199 H2 TIP3 1963 -36.800 3.770 -32.070 1.00 0.00 WAT +ATOM 12200 OH2 TIP3 1964 -36.386 7.529 -27.861 1.00 0.00 WAT +ATOM 12201 H1 TIP3 1964 -36.924 8.111 -27.297 1.00 0.00 WAT +ATOM 12202 H2 TIP3 1964 -37.042 7.170 -28.479 1.00 0.00 WAT +ATOM 12203 OH2 TIP3 1965 -30.373 3.064 -40.565 1.00 0.00 WAT +ATOM 12204 H1 TIP3 1965 -29.938 3.271 -39.710 1.00 0.00 WAT +ATOM 12205 H2 TIP3 1965 -29.741 3.463 -41.195 1.00 0.00 WAT +ATOM 12206 OH2 TIP3 1966 -39.582 3.923 -28.726 1.00 0.00 WAT +ATOM 12207 H1 TIP3 1966 -39.496 4.422 -27.897 1.00 0.00 WAT +ATOM 12208 H2 TIP3 1966 -40.546 3.765 -28.755 1.00 0.00 WAT +ATOM 12209 OH2 TIP3 1967 -33.379 9.701 -36.628 1.00 0.00 WAT +ATOM 12210 H1 TIP3 1967 -32.446 9.802 -36.419 1.00 0.00 WAT +ATOM 12211 H2 TIP3 1967 -33.539 10.418 -37.259 1.00 0.00 WAT +ATOM 12212 OH2 TIP3 1968 -38.366 9.643 -26.985 1.00 0.00 WAT +ATOM 12213 H1 TIP3 1968 -38.452 9.682 -27.950 1.00 0.00 WAT +ATOM 12214 H2 TIP3 1968 -39.273 9.449 -26.680 1.00 0.00 WAT +ATOM 12215 OH2 TIP3 1969 -26.935 -5.339 -40.753 1.00 0.00 WAT +ATOM 12216 H1 TIP3 1969 -27.885 -5.233 -40.553 1.00 0.00 WAT +ATOM 12217 H2 TIP3 1969 -26.696 -4.435 -41.007 1.00 0.00 WAT +ATOM 12218 OH2 TIP3 1970 -38.926 3.059 -38.676 1.00 0.00 WAT +ATOM 12219 H1 TIP3 1970 -39.201 3.821 -39.212 1.00 0.00 WAT +ATOM 12220 H2 TIP3 1970 -39.703 2.478 -38.770 1.00 0.00 WAT +ATOM 12221 OH2 TIP3 1971 -25.820 9.005 -42.532 1.00 0.00 WAT +ATOM 12222 H1 TIP3 1971 -25.573 9.771 -42.000 1.00 0.00 WAT +ATOM 12223 H2 TIP3 1971 -25.123 8.351 -42.358 1.00 0.00 WAT +ATOM 12224 OH2 TIP3 1972 -24.443 9.296 -27.231 1.00 0.00 WAT +ATOM 12225 H1 TIP3 1972 -24.536 8.332 -27.368 1.00 0.00 WAT +ATOM 12226 H2 TIP3 1972 -25.342 9.516 -26.904 1.00 0.00 WAT +ATOM 12227 OH2 TIP3 1973 -33.847 8.575 -28.449 1.00 0.00 WAT +ATOM 12228 H1 TIP3 1973 -33.720 9.323 -27.837 1.00 0.00 WAT +ATOM 12229 H2 TIP3 1973 -34.709 8.212 -28.160 1.00 0.00 WAT +ATOM 12230 OH2 TIP3 1974 -33.516 12.334 -38.447 1.00 0.00 WAT +ATOM 12231 H1 TIP3 1974 -33.504 12.417 -39.412 1.00 0.00 WAT +ATOM 12232 H2 TIP3 1974 -33.418 13.250 -38.145 1.00 0.00 WAT +ATOM 12233 OH2 TIP3 1975 -39.765 11.470 -36.794 1.00 0.00 WAT +ATOM 12234 H1 TIP3 1975 -39.534 11.060 -35.940 1.00 0.00 WAT +ATOM 12235 H2 TIP3 1975 -40.538 10.928 -37.035 1.00 0.00 WAT +ATOM 12236 OH2 TIP3 1976 -30.595 12.194 -40.260 1.00 0.00 WAT +ATOM 12237 H1 TIP3 1976 -30.980 11.462 -40.754 1.00 0.00 WAT +ATOM 12238 H2 TIP3 1976 -29.797 11.753 -39.942 1.00 0.00 WAT +ATOM 12239 OH2 TIP3 1977 -30.975 10.235 -38.396 1.00 0.00 WAT +ATOM 12240 H1 TIP3 1977 -31.437 11.077 -38.478 1.00 0.00 WAT +ATOM 12241 H2 TIP3 1977 -30.405 10.345 -37.625 1.00 0.00 WAT +ATOM 12242 OH2 TIP3 1978 -41.040 6.851 -28.868 1.00 0.00 WAT +ATOM 12243 H1 TIP3 1978 -40.588 6.820 -28.001 1.00 0.00 WAT +ATOM 12244 H2 TIP3 1978 -41.708 6.161 -28.717 1.00 0.00 WAT +ATOM 12245 OH2 TIP3 1979 -37.484 -4.230 -32.900 1.00 0.00 WAT +ATOM 12246 H1 TIP3 1979 -38.310 -4.306 -33.407 1.00 0.00 WAT +ATOM 12247 H2 TIP3 1979 -37.706 -3.493 -32.308 1.00 0.00 WAT +ATOM 12248 OH2 TIP3 1980 -33.103 -4.724 -29.282 1.00 0.00 WAT +ATOM 12249 H1 TIP3 1980 -32.588 -5.173 -28.588 1.00 0.00 WAT +ATOM 12250 H2 TIP3 1980 -34.018 -5.013 -29.105 1.00 0.00 WAT +ATOM 12251 OH2 TIP3 1981 -30.091 -0.893 -28.964 1.00 0.00 WAT +ATOM 12252 H1 TIP3 1981 -30.268 -1.050 -28.024 1.00 0.00 WAT +ATOM 12253 H2 TIP3 1981 -29.891 0.060 -28.973 1.00 0.00 WAT +ATOM 12254 OH2 TIP3 1982 -28.156 3.862 -42.505 1.00 0.00 WAT +ATOM 12255 H1 TIP3 1982 -28.589 3.652 -43.344 1.00 0.00 WAT +ATOM 12256 H2 TIP3 1982 -27.844 4.756 -42.708 1.00 0.00 WAT +ATOM 12257 OH2 TIP3 1983 -33.288 -2.250 -42.161 1.00 0.00 WAT +ATOM 12258 H1 TIP3 1983 -33.823 -2.225 -41.357 1.00 0.00 WAT +ATOM 12259 H2 TIP3 1983 -33.722 -2.962 -42.648 1.00 0.00 WAT +ATOM 12260 OH2 TIP3 1984 -37.684 0.566 -31.518 1.00 0.00 WAT +ATOM 12261 H1 TIP3 1984 -38.125 0.706 -30.665 1.00 0.00 WAT +ATOM 12262 H2 TIP3 1984 -37.530 1.479 -31.830 1.00 0.00 WAT +ATOM 12263 OH2 TIP3 1985 -37.709 0.617 -36.603 1.00 0.00 WAT +ATOM 12264 H1 TIP3 1985 -38.661 0.538 -36.795 1.00 0.00 WAT +ATOM 12265 H2 TIP3 1985 -37.333 0.459 -37.490 1.00 0.00 WAT +ATOM 12266 OH2 TIP3 1986 -32.015 1.093 -37.925 1.00 0.00 WAT +ATOM 12267 H1 TIP3 1986 -32.400 1.960 -38.153 1.00 0.00 WAT +ATOM 12268 H2 TIP3 1986 -31.346 0.978 -38.619 1.00 0.00 WAT +ATOM 12269 OH2 TIP3 1987 -32.773 1.397 -26.319 1.00 0.00 WAT +ATOM 12270 H1 TIP3 1987 -33.268 0.592 -26.064 1.00 0.00 WAT +ATOM 12271 H2 TIP3 1987 -31.849 1.132 -26.171 1.00 0.00 WAT +ATOM 12272 OH2 TIP3 1988 -31.284 0.542 -35.020 1.00 0.00 WAT +ATOM 12273 H1 TIP3 1988 -31.440 1.224 -35.695 1.00 0.00 WAT +ATOM 12274 H2 TIP3 1988 -31.027 -0.207 -35.584 1.00 0.00 WAT +ATOM 12275 OH2 TIP3 1989 -40.305 0.738 -29.608 1.00 0.00 WAT +ATOM 12276 H1 TIP3 1989 -39.859 1.093 -28.827 1.00 0.00 WAT +ATOM 12277 H2 TIP3 1989 -40.602 -0.118 -29.284 1.00 0.00 WAT +ATOM 12278 OH2 TIP3 1990 -36.515 -1.867 -43.105 1.00 0.00 WAT +ATOM 12279 H1 TIP3 1990 -36.885 -2.148 -42.249 1.00 0.00 WAT +ATOM 12280 H2 TIP3 1990 -37.270 -1.363 -43.473 1.00 0.00 WAT +ATOM 12281 OH2 TIP3 1991 -43.158 -1.686 -35.978 1.00 0.00 WAT +ATOM 12282 H1 TIP3 1991 -43.045 -1.950 -35.047 1.00 0.00 WAT +ATOM 12283 H2 TIP3 1991 -42.832 -2.457 -36.447 1.00 0.00 WAT +ATOM 12284 OH2 TIP3 1992 -42.129 -1.048 -40.135 1.00 0.00 WAT +ATOM 12285 H1 TIP3 1992 -41.486 -1.000 -40.861 1.00 0.00 WAT +ATOM 12286 H2 TIP3 1992 -42.966 -0.895 -40.588 1.00 0.00 WAT +ATOM 12287 OH2 TIP3 1993 -32.296 2.256 -30.289 1.00 0.00 WAT +ATOM 12288 H1 TIP3 1993 -31.821 1.955 -31.085 1.00 0.00 WAT +ATOM 12289 H2 TIP3 1993 -32.365 1.436 -29.786 1.00 0.00 WAT +ATOM 12290 OH2 TIP3 1994 -34.917 -1.781 -35.573 1.00 0.00 WAT +ATOM 12291 H1 TIP3 1994 -35.837 -1.803 -35.270 1.00 0.00 WAT +ATOM 12292 H2 TIP3 1994 -34.436 -1.888 -34.733 1.00 0.00 WAT +ATOM 12293 OH2 TIP3 1995 -40.367 -0.519 -36.955 1.00 0.00 WAT +ATOM 12294 H1 TIP3 1995 -41.226 -0.518 -37.389 1.00 0.00 WAT +ATOM 12295 H2 TIP3 1995 -39.980 -1.352 -37.289 1.00 0.00 WAT +ATOM 12296 OH2 TIP3 1996 -36.734 -0.201 -39.251 1.00 0.00 WAT +ATOM 12297 H1 TIP3 1996 -35.768 -0.136 -39.130 1.00 0.00 WAT +ATOM 12298 H2 TIP3 1996 -36.932 0.452 -39.941 1.00 0.00 WAT +ATOM 12299 OH2 TIP3 1997 -30.553 -2.662 -32.598 1.00 0.00 WAT +ATOM 12300 H1 TIP3 1997 -31.150 -2.629 -31.819 1.00 0.00 WAT +ATOM 12301 H2 TIP3 1997 -31.194 -2.932 -33.278 1.00 0.00 WAT +ATOM 12302 OH2 TIP3 1998 -38.169 1.011 -41.626 1.00 0.00 WAT +ATOM 12303 H1 TIP3 1998 -38.735 0.456 -42.188 1.00 0.00 WAT +ATOM 12304 H2 TIP3 1998 -37.382 1.141 -42.169 1.00 0.00 WAT +ATOM 12305 OH2 TIP3 1999 -27.530 13.161 -25.900 1.00 0.00 WAT +ATOM 12306 H1 TIP3 1999 -27.267 13.589 -26.734 1.00 0.00 WAT +ATOM 12307 H2 TIP3 1999 -26.826 13.446 -25.295 1.00 0.00 WAT +ATOM 12308 OH2 TIP3 2000 -39.504 5.879 -26.504 1.00 0.00 WAT +ATOM 12309 H1 TIP3 2000 -38.891 5.823 -25.739 1.00 0.00 WAT +ATOM 12310 H2 TIP3 2000 -40.359 5.900 -26.020 1.00 0.00 WAT +ATOM 12311 OH2 TIP3 2001 -34.000 0.831 -33.768 1.00 0.00 WAT +ATOM 12312 H1 TIP3 2001 -33.108 0.683 -34.124 1.00 0.00 WAT +ATOM 12313 H2 TIP3 2001 -33.977 0.304 -32.952 1.00 0.00 WAT +ATOM 12314 OH2 TIP3 2002 -38.721 -2.857 -37.551 1.00 0.00 WAT +ATOM 12315 H1 TIP3 2002 -39.154 -3.719 -37.478 1.00 0.00 WAT +ATOM 12316 H2 TIP3 2002 -37.870 -3.098 -37.946 1.00 0.00 WAT +ATOM 12317 OH2 TIP3 2003 -34.967 -0.839 -31.510 1.00 0.00 WAT +ATOM 12318 H1 TIP3 2003 -35.653 -0.157 -31.505 1.00 0.00 WAT +ATOM 12319 H2 TIP3 2003 -34.382 -0.579 -30.773 1.00 0.00 WAT +ATOM 12320 OH2 TIP3 2004 -34.782 5.648 -39.611 1.00 0.00 WAT +ATOM 12321 H1 TIP3 2004 -35.542 5.124 -39.937 1.00 0.00 WAT +ATOM 12322 H2 TIP3 2004 -34.948 5.671 -38.638 1.00 0.00 WAT +ATOM 12323 OH2 TIP3 2005 -27.865 4.762 -31.046 1.00 0.00 WAT +ATOM 12324 H1 TIP3 2005 -27.335 5.221 -31.718 1.00 0.00 WAT +ATOM 12325 H2 TIP3 2005 -28.700 4.589 -31.523 1.00 0.00 WAT +ATOM 12326 OH2 TIP3 2006 -30.624 -1.586 -41.880 1.00 0.00 WAT +ATOM 12327 H1 TIP3 2006 -31.602 -1.634 -41.847 1.00 0.00 WAT +ATOM 12328 H2 TIP3 2006 -30.394 -0.864 -41.260 1.00 0.00 WAT +ATOM 12329 OH2 TIP3 2007 -33.190 5.670 -28.382 1.00 0.00 WAT +ATOM 12330 H1 TIP3 2007 -33.357 5.245 -27.530 1.00 0.00 WAT +ATOM 12331 H2 TIP3 2007 -33.489 6.579 -28.248 1.00 0.00 WAT +ATOM 12332 OH2 TIP3 2008 -29.998 0.232 -39.905 1.00 0.00 WAT +ATOM 12333 H1 TIP3 2008 -29.153 0.048 -39.446 1.00 0.00 WAT +ATOM 12334 H2 TIP3 2008 -29.833 1.107 -40.296 1.00 0.00 WAT +ATOM 12335 OH2 TIP3 2009 -39.679 4.997 -33.885 1.00 0.00 WAT +ATOM 12336 H1 TIP3 2009 -39.071 4.843 -34.632 1.00 0.00 WAT +ATOM 12337 H2 TIP3 2009 -39.597 4.156 -33.404 1.00 0.00 WAT +ATOM 12338 OH2 TIP3 2010 -32.350 6.951 -40.728 1.00 0.00 WAT +ATOM 12339 H1 TIP3 2010 -32.577 7.819 -40.341 1.00 0.00 WAT +ATOM 12340 H2 TIP3 2010 -33.104 6.416 -40.420 1.00 0.00 WAT +ATOM 12341 OH2 TIP3 2011 -42.318 3.650 -28.340 1.00 0.00 WAT +ATOM 12342 H1 TIP3 2011 -42.258 2.990 -27.627 1.00 0.00 WAT +ATOM 12343 H2 TIP3 2011 -42.865 3.176 -29.006 1.00 0.00 WAT +ATOM 12344 OH2 TIP3 2012 -35.376 2.784 -26.566 1.00 0.00 WAT +ATOM 12345 H1 TIP3 2012 -35.633 2.535 -27.470 1.00 0.00 WAT +ATOM 12346 H2 TIP3 2012 -34.452 2.475 -26.555 1.00 0.00 WAT +ATOM 12347 OH2 TIP3 2013 -30.865 8.815 -28.808 1.00 0.00 WAT +ATOM 12348 H1 TIP3 2013 -31.648 8.286 -29.052 1.00 0.00 WAT +ATOM 12349 H2 TIP3 2013 -30.722 8.515 -27.891 1.00 0.00 WAT +ATOM 12350 OH2 TIP3 2014 -25.272 0.324 -40.007 1.00 0.00 WAT +ATOM 12351 H1 TIP3 2014 -25.927 0.152 -40.713 1.00 0.00 WAT +ATOM 12352 H2 TIP3 2014 -25.165 1.280 -40.161 1.00 0.00 WAT +ATOM 12353 OH2 TIP3 2015 -24.904 6.414 -27.275 1.00 0.00 WAT +ATOM 12354 H1 TIP3 2015 -25.860 6.524 -27.460 1.00 0.00 WAT +ATOM 12355 H2 TIP3 2015 -24.588 6.104 -28.147 1.00 0.00 WAT +ATOM 12356 OH2 TIP3 2016 -26.979 8.905 -39.882 1.00 0.00 WAT +ATOM 12357 H1 TIP3 2016 -27.366 8.151 -39.411 1.00 0.00 WAT +ATOM 12358 H2 TIP3 2016 -26.801 8.522 -40.756 1.00 0.00 WAT +ATOM 12359 OH2 TIP3 2017 -37.319 8.327 -36.430 1.00 0.00 WAT +ATOM 12360 H1 TIP3 2017 -36.828 9.137 -36.643 1.00 0.00 WAT +ATOM 12361 H2 TIP3 2017 -38.183 8.503 -36.821 1.00 0.00 WAT +ATOM 12362 OH2 TIP3 2018 -41.476 3.075 -41.638 1.00 0.00 WAT +ATOM 12363 H1 TIP3 2018 -40.770 3.699 -41.379 1.00 0.00 WAT +ATOM 12364 H2 TIP3 2018 -42.200 3.686 -41.838 1.00 0.00 WAT +ATOM 12365 OH2 TIP3 2019 -35.438 6.015 -36.932 1.00 0.00 WAT +ATOM 12366 H1 TIP3 2019 -35.765 6.906 -36.735 1.00 0.00 WAT +ATOM 12367 H2 TIP3 2019 -36.081 5.463 -36.460 1.00 0.00 WAT +ATOM 12368 OH2 TIP3 2020 -35.267 10.253 -30.553 1.00 0.00 WAT +ATOM 12369 H1 TIP3 2020 -34.715 11.034 -30.692 1.00 0.00 WAT +ATOM 12370 H2 TIP3 2020 -34.696 9.714 -29.973 1.00 0.00 WAT +ATOM 12371 OH2 TIP3 2021 -36.827 11.201 -37.348 1.00 0.00 WAT +ATOM 12372 H1 TIP3 2021 -37.781 11.340 -37.253 1.00 0.00 WAT +ATOM 12373 H2 TIP3 2021 -36.471 12.070 -37.082 1.00 0.00 WAT +ATOM 12374 OH2 TIP3 2022 -31.726 6.587 -30.798 1.00 0.00 WAT +ATOM 12375 H1 TIP3 2022 -32.180 5.990 -30.184 1.00 0.00 WAT +ATOM 12376 H2 TIP3 2022 -31.364 5.935 -31.449 1.00 0.00 WAT +ATOM 12377 OH2 TIP3 2023 -29.806 7.386 -41.978 1.00 0.00 WAT +ATOM 12378 H1 TIP3 2023 -29.204 6.976 -41.334 1.00 0.00 WAT +ATOM 12379 H2 TIP3 2023 -30.656 7.175 -41.561 1.00 0.00 WAT +ATOM 12380 OH2 TIP3 2024 -28.828 10.582 -28.562 1.00 0.00 WAT +ATOM 12381 H1 TIP3 2024 -29.589 9.980 -28.747 1.00 0.00 WAT +ATOM 12382 H2 TIP3 2024 -28.931 11.334 -29.167 1.00 0.00 WAT +ATOM 12383 OH2 TIP3 2025 -24.776 11.738 -41.525 1.00 0.00 WAT +ATOM 12384 H1 TIP3 2025 -24.081 12.426 -41.425 1.00 0.00 WAT +ATOM 12385 H2 TIP3 2025 -25.580 12.260 -41.329 1.00 0.00 WAT +ATOM 12386 OH2 TIP3 2026 -41.301 -2.308 -28.706 1.00 0.00 WAT +ATOM 12387 H1 TIP3 2026 -41.671 -1.773 -29.423 1.00 0.00 WAT +ATOM 12388 H2 TIP3 2026 -41.145 -3.184 -29.086 1.00 0.00 WAT +ATOM 12389 OH2 TIP3 2027 -28.701 5.925 -39.665 1.00 0.00 WAT +ATOM 12390 H1 TIP3 2027 -28.975 5.191 -39.086 1.00 0.00 WAT +ATOM 12391 H2 TIP3 2027 -27.730 5.856 -39.607 1.00 0.00 WAT +ATOM 12392 OH2 TIP3 2028 -41.301 9.521 -30.455 1.00 0.00 WAT +ATOM 12393 H1 TIP3 2028 -40.598 8.894 -30.269 1.00 0.00 WAT +ATOM 12394 H2 TIP3 2028 -41.168 10.168 -29.746 1.00 0.00 WAT +ATOM 12395 OH2 TIP3 2029 -35.189 8.334 -43.240 1.00 0.00 WAT +ATOM 12396 H1 TIP3 2029 -34.806 7.493 -43.550 1.00 0.00 WAT +ATOM 12397 H2 TIP3 2029 -35.755 8.017 -42.511 1.00 0.00 WAT +ATOM 12398 OH2 TIP3 2030 -36.662 7.865 -40.734 1.00 0.00 WAT +ATOM 12399 H1 TIP3 2030 -36.119 7.313 -40.150 1.00 0.00 WAT +ATOM 12400 H2 TIP3 2030 -36.418 8.771 -40.467 1.00 0.00 WAT +ATOM 12401 OH2 TIP3 2031 -39.869 5.246 -40.432 1.00 0.00 WAT +ATOM 12402 H1 TIP3 2031 -40.587 5.640 -39.881 1.00 0.00 WAT +ATOM 12403 H2 TIP3 2031 -39.382 6.053 -40.659 1.00 0.00 WAT +ATOM 12404 OH2 TIP3 2032 -32.167 -2.254 -30.396 1.00 0.00 WAT +ATOM 12405 H1 TIP3 2032 -31.517 -1.883 -29.766 1.00 0.00 WAT +ATOM 12406 H2 TIP3 2032 -32.570 -2.989 -29.897 1.00 0.00 WAT +ATOM 12407 OH2 TIP3 2033 -31.473 -2.694 -39.221 1.00 0.00 WAT +ATOM 12408 H1 TIP3 2033 -31.166 -2.158 -39.968 1.00 0.00 WAT +ATOM 12409 H2 TIP3 2033 -30.998 -2.285 -38.476 1.00 0.00 WAT +ATOM 12410 OH2 TIP3 2034 -33.735 9.463 -40.234 1.00 0.00 WAT +ATOM 12411 H1 TIP3 2034 -34.518 9.996 -40.028 1.00 0.00 WAT +ATOM 12412 H2 TIP3 2034 -33.233 10.062 -40.794 1.00 0.00 WAT +ATOM 12413 OH2 TIP3 2035 -34.085 -0.764 -38.151 1.00 0.00 WAT +ATOM 12414 H1 TIP3 2035 -33.283 -0.210 -38.022 1.00 0.00 WAT +ATOM 12415 H2 TIP3 2035 -34.333 -0.948 -37.223 1.00 0.00 WAT +ATOM 12416 OH2 TIP3 2036 -33.731 0.077 -28.915 1.00 0.00 WAT +ATOM 12417 H1 TIP3 2036 -33.546 0.637 -28.147 1.00 0.00 WAT +ATOM 12418 H2 TIP3 2036 -33.118 -0.660 -28.777 1.00 0.00 WAT +ATOM 12419 OH2 TIP3 2037 -33.432 -3.757 -37.257 1.00 0.00 WAT +ATOM 12420 H1 TIP3 2037 -33.604 -3.106 -36.549 1.00 0.00 WAT +ATOM 12421 H2 TIP3 2037 -32.701 -3.318 -37.735 1.00 0.00 WAT +ATOM 12422 OH2 TIP3 2038 -36.479 10.659 -40.248 1.00 0.00 WAT +ATOM 12423 H1 TIP3 2038 -36.453 11.516 -40.720 1.00 0.00 WAT +ATOM 12424 H2 TIP3 2038 -36.608 10.934 -39.322 1.00 0.00 WAT +ATOM 12425 OH2 TIP3 2039 -37.727 -2.690 -40.749 1.00 0.00 WAT +ATOM 12426 H1 TIP3 2039 -37.707 -1.931 -40.141 1.00 0.00 WAT +ATOM 12427 H2 TIP3 2039 -36.966 -3.208 -40.425 1.00 0.00 WAT +ATOM 12428 OH2 TIP3 2040 -27.261 -2.063 -28.277 1.00 0.00 WAT +ATOM 12429 H1 TIP3 2040 -28.057 -1.585 -27.994 1.00 0.00 WAT +ATOM 12430 H2 TIP3 2040 -27.393 -2.068 -29.236 1.00 0.00 WAT +ATOM 12431 OH2 TIP3 2041 -28.667 1.987 -34.179 1.00 0.00 WAT +ATOM 12432 H1 TIP3 2041 -29.617 2.096 -34.014 1.00 0.00 WAT +ATOM 12433 H2 TIP3 2041 -28.410 1.317 -33.522 1.00 0.00 WAT +ATOM 12434 OH2 TIP3 2042 -39.336 8.173 -41.534 1.00 0.00 WAT +ATOM 12435 H1 TIP3 2042 -38.484 8.400 -41.121 1.00 0.00 WAT +ATOM 12436 H2 TIP3 2042 -39.019 7.696 -42.318 1.00 0.00 WAT +ATOM 12437 OH2 TIP3 2043 -40.973 0.476 -42.797 1.00 0.00 WAT +ATOM 12438 H1 TIP3 2043 -41.006 1.302 -42.276 1.00 0.00 WAT +ATOM 12439 H2 TIP3 2043 -41.893 0.179 -42.830 1.00 0.00 WAT +ATOM 12440 OH2 TIP3 2044 -28.120 10.936 -32.610 1.00 0.00 WAT +ATOM 12441 H1 TIP3 2044 -28.015 11.715 -33.199 1.00 0.00 WAT +ATOM 12442 H2 TIP3 2044 -27.184 10.770 -32.394 1.00 0.00 WAT +ATOM 12443 OH2 TIP3 2045 -40.302 -4.731 -33.726 1.00 0.00 WAT +ATOM 12444 H1 TIP3 2045 -40.583 -4.794 -34.656 1.00 0.00 WAT +ATOM 12445 H2 TIP3 2045 -40.662 -5.562 -33.350 1.00 0.00 WAT +ATOM 12446 OH2 TIP3 2046 -41.350 9.021 -37.377 1.00 0.00 WAT +ATOM 12447 H1 TIP3 2046 -42.290 9.252 -37.451 1.00 0.00 WAT +ATOM 12448 H2 TIP3 2046 -41.021 9.242 -38.259 1.00 0.00 WAT +ATOM 12449 OH2 TIP3 2047 -42.129 11.657 -26.232 1.00 0.00 WAT +ATOM 12450 H1 TIP3 2047 -41.495 11.673 -25.492 1.00 0.00 WAT +ATOM 12451 H2 TIP3 2047 -42.192 10.694 -26.334 1.00 0.00 WAT +ATOM 12452 OH2 TIP3 2048 -37.221 10.844 -24.534 1.00 0.00 WAT +ATOM 12453 H1 TIP3 2048 -36.585 10.162 -24.265 1.00 0.00 WAT +ATOM 12454 H2 TIP3 2048 -37.494 10.514 -25.404 1.00 0.00 WAT +ATOM 12455 OH2 TIP3 2049 -33.018 10.128 -43.280 1.00 0.00 WAT +ATOM 12456 H1 TIP3 2049 -33.857 9.621 -43.242 1.00 0.00 WAT +ATOM 12457 H2 TIP3 2049 -32.420 9.406 -43.528 1.00 0.00 WAT +ATOM 12458 OH2 TIP3 2050 -30.794 9.084 -25.864 1.00 0.00 WAT +ATOM 12459 H1 TIP3 2050 -31.180 8.254 -25.527 1.00 0.00 WAT +ATOM 12460 H2 TIP3 2050 -30.090 9.258 -25.215 1.00 0.00 WAT +ATOM 12461 OH2 TIP3 2051 -27.971 9.482 41.996 1.00 0.00 WAT +ATOM 12462 H1 TIP3 2051 -28.653 9.634 42.659 1.00 0.00 WAT +ATOM 12463 H2 TIP3 2051 -27.288 10.076 42.328 1.00 0.00 WAT +ATOM 12464 OH2 TIP3 2052 -41.984 5.726 -25.682 1.00 0.00 WAT +ATOM 12465 H1 TIP3 2052 -41.885 4.786 -25.897 1.00 0.00 WAT +ATOM 12466 H2 TIP3 2052 -42.913 5.895 -25.899 1.00 0.00 WAT +ATOM 12467 OH2 TIP3 2053 -37.763 5.914 -43.096 1.00 0.00 WAT +ATOM 12468 H1 TIP3 2053 -37.603 5.250 -42.409 1.00 0.00 WAT +ATOM 12469 H2 TIP3 2053 -37.048 5.743 -43.725 1.00 0.00 WAT +ATOM 12470 OH2 TIP3 2054 -35.416 5.558 -25.817 1.00 0.00 WAT +ATOM 12471 H1 TIP3 2054 -35.653 5.832 -26.715 1.00 0.00 WAT +ATOM 12472 H2 TIP3 2054 -35.264 4.597 -25.929 1.00 0.00 WAT +ATOM 12473 OH2 TIP3 2055 -32.445 6.985 -43.488 1.00 0.00 WAT +ATOM 12474 H1 TIP3 2055 -32.299 7.056 -42.525 1.00 0.00 WAT +ATOM 12475 H2 TIP3 2055 -31.804 6.303 -43.741 1.00 0.00 WAT +ATOM 12476 OH2 TIP3 2056 -30.040 5.187 -28.344 1.00 0.00 WAT +ATOM 12477 H1 TIP3 2056 -29.263 5.613 -28.730 1.00 0.00 WAT +ATOM 12478 H2 TIP3 2056 -30.765 5.763 -28.614 1.00 0.00 WAT +ATOM 12479 OH2 TIP3 2057 -41.337 2.540 -25.952 1.00 0.00 WAT +ATOM 12480 H1 TIP3 2057 -40.601 1.903 -26.055 1.00 0.00 WAT +ATOM 12481 H2 TIP3 2057 -41.287 2.673 -24.992 1.00 0.00 WAT +ATOM 12482 OH2 TIP3 2058 -36.748 3.890 -40.904 1.00 0.00 WAT +ATOM 12483 H1 TIP3 2058 -37.345 3.419 -40.300 1.00 0.00 WAT +ATOM 12484 H2 TIP3 2058 -36.376 3.157 -41.428 1.00 0.00 WAT +ATOM 12485 OH2 TIP3 2059 -37.559 1.614 -28.679 1.00 0.00 WAT +ATOM 12486 H1 TIP3 2059 -37.967 2.427 -28.339 1.00 0.00 WAT +ATOM 12487 H2 TIP3 2059 -36.780 1.968 -29.153 1.00 0.00 WAT +ATOM 12488 OH2 TIP3 2060 -35.537 2.003 -42.774 1.00 0.00 WAT +ATOM 12489 H1 TIP3 2060 -35.462 1.706 -43.693 1.00 0.00 WAT +ATOM 12490 H2 TIP3 2060 -34.593 1.957 -42.503 1.00 0.00 WAT +ATOM 12491 OH2 TIP3 2061 -32.178 4.359 -25.020 1.00 0.00 WAT +ATOM 12492 H1 TIP3 2061 -31.286 4.169 -25.369 1.00 0.00 WAT +ATOM 12493 H2 TIP3 2061 -32.432 3.484 -24.689 1.00 0.00 WAT +ATOM 12494 OH2 TIP3 2062 -37.003 -1.109 -27.407 1.00 0.00 WAT +ATOM 12495 H1 TIP3 2062 -36.809 -1.757 -28.111 1.00 0.00 WAT +ATOM 12496 H2 TIP3 2062 -37.071 -0.287 -27.920 1.00 0.00 WAT +ATOM 12497 OH2 TIP3 2063 -36.560 -2.593 -29.963 1.00 0.00 WAT +ATOM 12498 H1 TIP3 2063 -36.001 -2.091 -30.593 1.00 0.00 WAT +ATOM 12499 H2 TIP3 2063 -37.441 -2.565 -30.382 1.00 0.00 WAT +ATOM 12500 OH2 TIP3 2064 -35.092 2.791 -29.556 1.00 0.00 WAT +ATOM 12501 H1 TIP3 2064 -34.181 2.653 -29.895 1.00 0.00 WAT +ATOM 12502 H2 TIP3 2064 -35.277 3.692 -29.884 1.00 0.00 WAT +ATOM 12503 OH2 TIP3 2065 -29.542 3.698 -26.153 1.00 0.00 WAT +ATOM 12504 H1 TIP3 2065 -29.707 4.173 -26.999 1.00 0.00 WAT +ATOM 12505 H2 TIP3 2065 -29.011 2.926 -26.439 1.00 0.00 WAT +ATOM 12506 OH2 TIP3 2066 -38.853 0.829 -25.807 1.00 0.00 WAT +ATOM 12507 H1 TIP3 2066 -39.361 0.036 -25.580 1.00 0.00 WAT +ATOM 12508 H2 TIP3 2066 -37.996 0.464 -26.072 1.00 0.00 WAT +ATOM 12509 OH2 TIP3 2067 -35.854 -5.290 -29.632 1.00 0.00 WAT +ATOM 12510 H1 TIP3 2067 -36.012 -4.336 -29.786 1.00 0.00 WAT +ATOM 12511 H2 TIP3 2067 -36.579 -5.695 -30.146 1.00 0.00 WAT +ATOM 12512 OH2 TIP3 2068 -34.562 -0.678 -25.801 1.00 0.00 WAT +ATOM 12513 H1 TIP3 2068 -34.864 -0.955 -24.919 1.00 0.00 WAT +ATOM 12514 H2 TIP3 2068 -35.337 -0.926 -26.338 1.00 0.00 WAT +ATOM 12515 OH2 TIP3 2069 -32.065 -1.793 -26.918 1.00 0.00 WAT +ATOM 12516 H1 TIP3 2069 -32.908 -1.727 -26.445 1.00 0.00 WAT +ATOM 12517 H2 TIP3 2069 -31.491 -2.253 -26.279 1.00 0.00 WAT +ATOM 12518 OH2 TIP3 2070 -30.016 -3.337 -25.240 1.00 0.00 WAT +ATOM 12519 H1 TIP3 2070 -30.401 -4.110 -24.809 1.00 0.00 WAT +ATOM 12520 H2 TIP3 2070 -29.973 -2.675 -24.529 1.00 0.00 WAT +ATOM 12521 OH2 TIP3 2071 -40.443 -2.079 -25.844 1.00 0.00 WAT +ATOM 12522 H1 TIP3 2071 -39.811 -2.655 -26.298 1.00 0.00 WAT +ATOM 12523 H2 TIP3 2071 -40.307 -2.371 -24.911 1.00 0.00 WAT +ATOM 12524 OH2 TIP3 2072 -35.988 -5.707 -26.825 1.00 0.00 WAT +ATOM 12525 H1 TIP3 2072 -35.541 -6.558 -26.707 1.00 0.00 WAT +ATOM 12526 H2 TIP3 2072 -36.001 -5.627 -27.798 1.00 0.00 WAT +ATOM 12527 OH2 TIP3 2073 -35.032 -3.905 -24.975 1.00 0.00 WAT +ATOM 12528 H1 TIP3 2073 -35.345 -4.524 -25.671 1.00 0.00 WAT +ATOM 12529 H2 TIP3 2073 -35.775 -3.295 -24.897 1.00 0.00 WAT +ATOM 12530 OH2 TIP3 2074 -35.959 13.150 -41.697 1.00 0.00 WAT +ATOM 12531 H1 TIP3 2074 -34.990 13.206 -41.637 1.00 0.00 WAT +ATOM 12532 H2 TIP3 2074 -36.173 13.728 -42.446 1.00 0.00 WAT +ATOM 12533 OH2 TIP3 2075 -41.904 7.602 -42.365 1.00 0.00 WAT +ATOM 12534 H1 TIP3 2075 -41.045 7.774 -41.924 1.00 0.00 WAT +ATOM 12535 H2 TIP3 2075 -41.756 6.736 -42.757 1.00 0.00 WAT +ATOM 12536 OH2 TIP3 2076 -42.767 10.877 -35.251 1.00 0.00 WAT +ATOM 12537 H1 TIP3 2076 -42.687 9.954 -34.990 1.00 0.00 WAT +ATOM 12538 H2 TIP3 2076 -42.428 11.334 -34.464 1.00 0.00 WAT +ATOM 12539 OH2 TIP3 2077 -25.179 12.068 -32.175 1.00 0.00 WAT +ATOM 12540 H1 TIP3 2077 -24.965 11.924 -31.241 1.00 0.00 WAT +ATOM 12541 H2 TIP3 2077 -24.311 12.281 -32.544 1.00 0.00 WAT +ATOM 12542 OH2 TIP3 2078 -25.273 11.433 -29.341 1.00 0.00 WAT +ATOM 12543 H1 TIP3 2078 -25.763 10.661 -29.689 1.00 0.00 WAT +ATOM 12544 H2 TIP3 2078 -24.725 10.989 -28.673 1.00 0.00 WAT +ATOM 12545 OH2 TIP3 2079 -27.248 6.879 -25.075 1.00 0.00 WAT +ATOM 12546 H1 TIP3 2079 -28.125 6.874 -24.658 1.00 0.00 WAT +ATOM 12547 H2 TIP3 2079 -26.813 7.652 -24.679 1.00 0.00 WAT +ATOM 12548 OH2 TIP3 2080 -25.866 5.701 -39.290 1.00 0.00 WAT +ATOM 12549 H1 TIP3 2080 -24.959 6.031 -39.152 1.00 0.00 WAT +ATOM 12550 H2 TIP3 2080 -25.927 5.050 -38.566 1.00 0.00 WAT +ATOM 12551 OH2 TIP3 2081 -25.415 3.680 -37.316 1.00 0.00 WAT +ATOM 12552 H1 TIP3 2081 -26.102 3.132 -36.880 1.00 0.00 WAT +ATOM 12553 H2 TIP3 2081 -24.756 3.816 -36.610 1.00 0.00 WAT +ATOM 12554 OH2 TIP3 2082 -25.732 6.287 -32.335 1.00 0.00 WAT +ATOM 12555 H1 TIP3 2082 -25.161 5.704 -32.861 1.00 0.00 WAT +ATOM 12556 H2 TIP3 2082 -25.477 7.167 -32.654 1.00 0.00 WAT +ATOM 12557 OH2 TIP3 2083 -26.918 9.234 -30.214 1.00 0.00 WAT +ATOM 12558 H1 TIP3 2083 -27.600 9.435 -29.552 1.00 0.00 WAT +ATOM 12559 H2 TIP3 2083 -27.425 8.705 -30.871 1.00 0.00 WAT +ATOM 12560 OH2 TIP3 2084 -25.104 3.388 -41.086 1.00 0.00 WAT +ATOM 12561 H1 TIP3 2084 -25.744 3.665 -41.760 1.00 0.00 WAT +ATOM 12562 H2 TIP3 2084 -25.313 4.024 -40.384 1.00 0.00 WAT +ATOM 12563 OH2 TIP3 2085 -26.894 0.784 -42.121 1.00 0.00 WAT +ATOM 12564 H1 TIP3 2085 -26.611 1.487 -42.725 1.00 0.00 WAT +ATOM 12565 H2 TIP3 2085 -26.598 -0.008 -42.580 1.00 0.00 WAT +ATOM 12566 OH2 TIP3 2086 -27.415 1.812 -36.509 1.00 0.00 WAT +ATOM 12567 H1 TIP3 2086 -27.573 0.863 -36.612 1.00 0.00 WAT +ATOM 12568 H2 TIP3 2086 -27.795 1.955 -35.605 1.00 0.00 WAT +ATOM 12569 OH2 TIP3 2087 -42.322 4.795 -32.411 1.00 0.00 WAT +ATOM 12570 H1 TIP3 2087 -42.422 4.535 -33.344 1.00 0.00 WAT +ATOM 12571 H2 TIP3 2087 -41.764 4.052 -32.077 1.00 0.00 WAT +ATOM 12572 OH2 TIP3 2088 -26.716 3.858 -27.742 1.00 0.00 WAT +ATOM 12573 H1 TIP3 2088 -26.294 3.099 -27.290 1.00 0.00 WAT +ATOM 12574 H2 TIP3 2088 -26.295 4.618 -27.340 1.00 0.00 WAT +ATOM 12575 OH2 TIP3 2089 -25.530 1.852 -26.316 1.00 0.00 WAT +ATOM 12576 H1 TIP3 2089 -26.349 1.310 -26.251 1.00 0.00 WAT +ATOM 12577 H2 TIP3 2089 -24.843 1.166 -26.228 1.00 0.00 WAT +ATOM 12578 OH2 TIP3 2090 -27.676 -2.221 -43.226 1.00 0.00 WAT +ATOM 12579 H1 TIP3 2090 -27.080 -2.683 -42.625 1.00 0.00 WAT +ATOM 12580 H2 TIP3 2090 -28.484 -2.768 -43.206 1.00 0.00 WAT +ATOM 12581 OH2 TIP3 2091 -27.682 -0.602 -38.387 1.00 0.00 WAT +ATOM 12582 H1 TIP3 2091 -27.410 -1.539 -38.285 1.00 0.00 WAT +ATOM 12583 H2 TIP3 2091 -26.857 -0.208 -38.712 1.00 0.00 WAT +ATOM 12584 OH2 TIP3 2092 -27.359 -0.146 -32.871 1.00 0.00 WAT +ATOM 12585 H1 TIP3 2092 -26.407 0.067 -32.876 1.00 0.00 WAT +ATOM 12586 H2 TIP3 2092 -27.562 0.009 -31.928 1.00 0.00 WAT +ATOM 12587 OH2 TIP3 2093 -27.221 0.623 -30.145 1.00 0.00 WAT +ATOM 12588 H1 TIP3 2093 -28.030 0.939 -29.692 1.00 0.00 WAT +ATOM 12589 H2 TIP3 2093 -26.727 1.455 -30.228 1.00 0.00 WAT +ATOM 12590 OH2 TIP3 2094 -42.936 -0.769 -26.615 1.00 0.00 WAT +ATOM 12591 H1 TIP3 2094 -42.031 -1.074 -26.399 1.00 0.00 WAT +ATOM 12592 H2 TIP3 2094 -43.511 -1.243 -26.004 1.00 0.00 WAT +ATOM 12593 OH2 TIP3 2095 -24.526 -5.182 -24.770 1.00 0.00 WAT +ATOM 12594 H1 TIP3 2095 -24.270 -5.839 -25.436 1.00 0.00 WAT +ATOM 12595 H2 TIP3 2095 -24.672 -4.381 -25.311 1.00 0.00 WAT +ATOM 12596 OH2 TIP3 2096 -27.135 -3.377 -38.306 1.00 0.00 WAT +ATOM 12597 H1 TIP3 2096 -27.050 -3.715 -37.397 1.00 0.00 WAT +ATOM 12598 H2 TIP3 2096 -27.905 -3.889 -38.628 1.00 0.00 WAT +ATOM 12599 OH2 TIP3 2097 -41.961 -2.144 -33.272 1.00 0.00 WAT +ATOM 12600 H1 TIP3 2097 -41.619 -3.051 -33.313 1.00 0.00 WAT +ATOM 12601 H2 TIP3 2097 -41.146 -1.623 -33.150 1.00 0.00 WAT +ATOM 12602 OH2 TIP3 2098 -43.268 0.497 -32.415 1.00 0.00 WAT +ATOM 12603 H1 TIP3 2098 -43.005 -0.143 -33.093 1.00 0.00 WAT +ATOM 12604 H2 TIP3 2098 -42.905 1.309 -32.777 1.00 0.00 WAT +ATOM 12605 OH2 TIP3 2099 -25.417 -3.152 -26.415 1.00 0.00 WAT +ATOM 12606 H1 TIP3 2099 -26.244 -2.636 -26.451 1.00 0.00 WAT +ATOM 12607 H2 TIP3 2099 -25.489 -3.611 -27.269 1.00 0.00 WAT +ATOM 12608 OH2 TIP3 2100 -25.124 -2.993 -41.759 1.00 0.00 WAT +ATOM 12609 H1 TIP3 2100 -24.851 -3.702 -42.349 1.00 0.00 WAT +ATOM 12610 H2 TIP3 2100 -24.307 -2.473 -41.679 1.00 0.00 WAT +ATOM 12611 OH2 TIP3 2101 -43.154 -3.384 -38.945 1.00 0.00 WAT +ATOM 12612 H1 TIP3 2101 -44.003 -3.140 -39.347 1.00 0.00 WAT +ATOM 12613 H2 TIP3 2101 -42.570 -2.669 -39.267 1.00 0.00 WAT +ATOM 12614 OH2 TIP3 2102 -28.300 11.975 -36.493 1.00 0.00 WAT +ATOM 12615 H1 TIP3 2102 -27.716 11.719 -37.230 1.00 0.00 WAT +ATOM 12616 H2 TIP3 2102 -27.679 12.441 -35.916 1.00 0.00 WAT +ATOM 12617 OH2 TIP3 2103 -42.946 -4.231 -30.525 1.00 0.00 WAT +ATOM 12618 H1 TIP3 2103 -43.632 -4.581 -29.926 1.00 0.00 WAT +ATOM 12619 H2 TIP3 2103 -43.397 -4.103 -31.373 1.00 0.00 WAT +ATOM 12620 OH2 TIP3 2104 -41.142 9.001 -25.988 1.00 0.00 WAT +ATOM 12621 H1 TIP3 2104 -41.846 8.472 -26.374 1.00 0.00 WAT +ATOM 12622 H2 TIP3 2104 -41.216 8.702 -25.050 1.00 0.00 WAT +ATOM 12623 OH2 TIP3 2105 -38.068 9.717 -30.023 1.00 0.00 WAT +ATOM 12624 H1 TIP3 2105 -38.311 10.602 -30.352 1.00 0.00 WAT +ATOM 12625 H2 TIP3 2105 -37.099 9.768 -30.157 1.00 0.00 WAT +ATOM 12626 OH2 TIP3 2106 -33.537 11.088 -26.959 1.00 0.00 WAT +ATOM 12627 H1 TIP3 2106 -33.416 10.847 -26.025 1.00 0.00 WAT +ATOM 12628 H2 TIP3 2106 -32.655 11.431 -27.191 1.00 0.00 WAT +ATOM 12629 OH2 TIP3 2107 -31.154 12.373 -27.890 1.00 0.00 WAT +ATOM 12630 H1 TIP3 2107 -30.479 11.681 -27.820 1.00 0.00 WAT +ATOM 12631 H2 TIP3 2107 -30.979 12.859 -27.062 1.00 0.00 WAT +ATOM 12632 OH2 TIP3 2108 -26.275 -4.976 -28.596 1.00 0.00 WAT +ATOM 12633 H1 TIP3 2108 -27.081 -4.598 -28.987 1.00 0.00 WAT +ATOM 12634 H2 TIP3 2108 -26.249 -5.867 -28.995 1.00 0.00 WAT +ATOM 12635 OH2 TIP3 2109 -40.767 12.687 -29.743 1.00 0.00 WAT +ATOM 12636 H1 TIP3 2109 -41.402 13.264 -30.211 1.00 0.00 WAT +ATOM 12637 H2 TIP3 2109 -40.979 12.894 -28.823 1.00 0.00 WAT +ATOM 12638 OH2 TIP3 2110 -38.189 12.455 -31.097 1.00 0.00 WAT +ATOM 12639 H1 TIP3 2110 -39.049 12.670 -30.686 1.00 0.00 WAT +ATOM 12640 H2 TIP3 2110 -38.136 13.122 -31.807 1.00 0.00 WAT +ATOM 12641 OH2 TIP3 2111 -32.912 12.337 -31.517 1.00 0.00 WAT +ATOM 12642 H1 TIP3 2111 -33.476 12.703 -32.224 1.00 0.00 WAT +ATOM 12643 H2 TIP3 2111 -33.036 13.022 -30.830 1.00 0.00 WAT +ATOM 12644 OH2 TIP3 2112 -28.949 12.749 -30.632 1.00 0.00 WAT +ATOM 12645 H1 TIP3 2112 -28.892 13.726 -30.621 1.00 0.00 WAT +ATOM 12646 H2 TIP3 2112 -28.271 12.553 -31.310 1.00 0.00 WAT +ATOM 12647 OH2 TIP3 2113 -41.277 11.521 -32.814 1.00 0.00 WAT +ATOM 12648 H1 TIP3 2113 -41.375 11.099 -31.943 1.00 0.00 WAT +ATOM 12649 H2 TIP3 2113 -40.471 11.090 -33.157 1.00 0.00 WAT +ATOM 12650 OH2 TIP3 2114 -39.108 10.294 -34.196 1.00 0.00 WAT +ATOM 12651 H1 TIP3 2114 -39.206 9.339 -34.053 1.00 0.00 WAT +ATOM 12652 H2 TIP3 2114 -38.177 10.443 -33.943 1.00 0.00 WAT +ATOM 12653 OH2 TIP3 2115 -36.273 10.701 -33.391 1.00 0.00 WAT +ATOM 12654 H1 TIP3 2115 -36.098 9.781 -33.661 1.00 0.00 WAT +ATOM 12655 H2 TIP3 2115 -36.228 10.612 -32.426 1.00 0.00 WAT +ATOM 12656 OH2 TIP3 2116 -32.980 -3.420 -34.127 1.00 0.00 WAT +ATOM 12657 H1 TIP3 2116 -33.668 -4.094 -33.969 1.00 0.00 WAT +ATOM 12658 H2 TIP3 2116 -32.349 -3.897 -34.688 1.00 0.00 WAT +ATOM 12659 OH2 TIP3 2117 -28.008 -5.478 -33.688 1.00 0.00 WAT +ATOM 12660 H1 TIP3 2117 -27.265 -4.948 -34.025 1.00 0.00 WAT +ATOM 12661 H2 TIP3 2117 -28.769 -5.064 -34.129 1.00 0.00 WAT +ATOM 12662 OH2 TIP3 2118 -25.922 -4.308 -35.764 1.00 0.00 WAT +ATOM 12663 H1 TIP3 2118 -25.199 -4.673 -36.299 1.00 0.00 WAT +ATOM 12664 H2 TIP3 2118 -25.648 -3.379 -35.646 1.00 0.00 WAT +ATOM 12665 OH2 TIP3 2119 -41.053 -4.823 -36.572 1.00 0.00 WAT +ATOM 12666 H1 TIP3 2119 -41.806 -5.130 -37.093 1.00 0.00 WAT +ATOM 12667 H2 TIP3 2119 -40.453 -5.588 -36.653 1.00 0.00 WAT +ATOM 12668 OH2 TIP3 2120 -41.785 -5.154 -40.820 1.00 0.00 WAT +ATOM 12669 H1 TIP3 2120 -41.301 -4.477 -41.333 1.00 0.00 WAT +ATOM 12670 H2 TIP3 2120 -42.299 -4.611 -40.200 1.00 0.00 WAT +ATOM 12671 OH2 TIP3 2121 -36.155 -4.864 -36.646 1.00 0.00 WAT +ATOM 12672 H1 TIP3 2121 -35.250 -4.542 -36.793 1.00 0.00 WAT +ATOM 12673 H2 TIP3 2121 -36.159 -4.956 -35.684 1.00 0.00 WAT +ATOM 12674 OH2 TIP3 2122 -30.561 -4.830 -35.249 1.00 0.00 WAT +ATOM 12675 H1 TIP3 2122 -30.302 -4.972 -36.169 1.00 0.00 WAT +ATOM 12676 H2 TIP3 2122 -30.937 -5.695 -35.005 1.00 0.00 WAT +ATOM 12677 OH2 TIP3 2123 -29.481 -4.854 -39.222 1.00 0.00 WAT +ATOM 12678 H1 TIP3 2123 -30.273 -4.357 -39.495 1.00 0.00 WAT +ATOM 12679 H2 TIP3 2123 -29.837 -5.759 -39.175 1.00 0.00 WAT +ATOM 12680 OH2 TIP3 2124 -41.880 10.827 -39.747 1.00 0.00 WAT +ATOM 12681 H1 TIP3 2124 -42.559 10.686 -40.414 1.00 0.00 WAT +ATOM 12682 H2 TIP3 2124 -41.810 11.789 -39.735 1.00 0.00 WAT +ATOM 12683 OH2 TIP3 2125 -40.105 -3.340 -42.308 1.00 0.00 WAT +ATOM 12684 H1 TIP3 2125 -39.617 -4.002 -42.818 1.00 0.00 WAT +ATOM 12685 H2 TIP3 2125 -39.392 -2.959 -41.763 1.00 0.00 WAT +ATOM 12686 OH2 TIP3 2126 -35.033 -3.232 -39.590 1.00 0.00 WAT +ATOM 12687 H1 TIP3 2126 -34.630 -3.774 -38.893 1.00 0.00 WAT +ATOM 12688 H2 TIP3 2126 -34.775 -2.352 -39.269 1.00 0.00 WAT +ATOM 12689 OH2 TIP3 2127 -33.164 12.417 -41.559 1.00 0.00 WAT +ATOM 12690 H1 TIP3 2127 -32.256 12.759 -41.542 1.00 0.00 WAT +ATOM 12691 H2 TIP3 2127 -33.131 11.776 -42.298 1.00 0.00 WAT +ATOM 12692 OH2 TIP3 2128 -26.428 11.591 -38.813 1.00 0.00 WAT +ATOM 12693 H1 TIP3 2128 -26.610 10.731 -39.252 1.00 0.00 WAT +ATOM 12694 H2 TIP3 2128 -26.557 12.225 -39.548 1.00 0.00 WAT +ATOM 12695 OH2 TIP3 2129 -38.634 -5.001 -25.414 1.00 0.00 WAT +ATOM 12696 H1 TIP3 2129 -37.815 -5.373 -25.785 1.00 0.00 WAT +ATOM 12697 H2 TIP3 2129 -39.017 -5.790 -24.987 1.00 0.00 WAT +ATOM 12698 OH2 TIP3 2130 -39.768 11.813 -42.432 1.00 0.00 WAT +ATOM 12699 H1 TIP3 2130 -40.134 12.094 -41.587 1.00 0.00 WAT +ATOM 12700 H2 TIP3 2130 -39.137 11.127 -42.192 1.00 0.00 WAT +ATOM 12701 OH2 TIP3 2131 -30.354 -6.184 -25.149 1.00 0.00 WAT +ATOM 12702 H1 TIP3 2131 -30.279 -6.442 -24.213 1.00 0.00 WAT +ATOM 12703 H2 TIP3 2131 -29.442 -5.923 -25.360 1.00 0.00 WAT +ATOM 12704 OH2 TIP3 2132 -26.940 10.390 -26.417 1.00 0.00 WAT +ATOM 12705 H1 TIP3 2132 -27.670 10.171 -27.024 1.00 0.00 WAT +ATOM 12706 H2 TIP3 2132 -27.153 11.316 -26.204 1.00 0.00 WAT +ATOM 12707 OH2 TIP3 2133 -12.738 4.041 -36.282 1.00 0.00 WAT +ATOM 12708 H1 TIP3 2133 -12.756 5.004 -36.158 1.00 0.00 WAT +ATOM 12709 H2 TIP3 2133 -13.515 3.905 -36.841 1.00 0.00 WAT +ATOM 12710 OH2 TIP3 2134 -13.901 3.493 -33.194 1.00 0.00 WAT +ATOM 12711 H1 TIP3 2134 -13.903 2.928 -32.404 1.00 0.00 WAT +ATOM 12712 H2 TIP3 2134 -14.171 2.862 -33.878 1.00 0.00 WAT +ATOM 12713 OH2 TIP3 2135 -21.410 3.072 -31.550 1.00 0.00 WAT +ATOM 12714 H1 TIP3 2135 -21.459 2.317 -30.933 1.00 0.00 WAT +ATOM 12715 H2 TIP3 2135 -20.731 3.611 -31.119 1.00 0.00 WAT +ATOM 12716 OH2 TIP3 2136 -10.222 6.235 -34.879 1.00 0.00 WAT +ATOM 12717 H1 TIP3 2136 -10.583 5.509 -34.353 1.00 0.00 WAT +ATOM 12718 H2 TIP3 2136 -9.912 6.834 -34.187 1.00 0.00 WAT +ATOM 12719 OH2 TIP3 2137 -20.763 7.721 -33.037 1.00 0.00 WAT +ATOM 12720 H1 TIP3 2137 -21.006 6.801 -33.284 1.00 0.00 WAT +ATOM 12721 H2 TIP3 2137 -19.837 7.578 -32.794 1.00 0.00 WAT +ATOM 12722 OH2 TIP3 2138 -23.747 1.142 -37.646 1.00 0.00 WAT +ATOM 12723 H1 TIP3 2138 -24.199 1.992 -37.519 1.00 0.00 WAT +ATOM 12724 H2 TIP3 2138 -24.459 0.608 -38.023 1.00 0.00 WAT +ATOM 12725 OH2 TIP3 2139 -22.945 3.591 -35.766 1.00 0.00 WAT +ATOM 12726 H1 TIP3 2139 -22.829 2.740 -35.298 1.00 0.00 WAT +ATOM 12727 H2 TIP3 2139 -22.124 3.643 -36.270 1.00 0.00 WAT +ATOM 12728 OH2 TIP3 2140 -13.126 11.600 -34.269 1.00 0.00 WAT +ATOM 12729 H1 TIP3 2140 -12.571 10.898 -34.660 1.00 0.00 WAT +ATOM 12730 H2 TIP3 2140 -13.428 11.179 -33.455 1.00 0.00 WAT +ATOM 12731 OH2 TIP3 2141 -15.403 6.008 -32.639 1.00 0.00 WAT +ATOM 12732 H1 TIP3 2141 -15.096 5.276 -33.203 1.00 0.00 WAT +ATOM 12733 H2 TIP3 2141 -14.592 6.137 -32.112 1.00 0.00 WAT +ATOM 12734 OH2 TIP3 2142 -6.746 -2.474 -32.007 1.00 0.00 WAT +ATOM 12735 H1 TIP3 2142 -6.506 -1.885 -31.270 1.00 0.00 WAT +ATOM 12736 H2 TIP3 2142 -6.118 -2.175 -32.689 1.00 0.00 WAT +ATOM 12737 OH2 TIP3 2143 -12.102 0.344 -32.134 1.00 0.00 WAT +ATOM 12738 H1 TIP3 2143 -11.977 -0.616 -32.046 1.00 0.00 WAT +ATOM 12739 H2 TIP3 2143 -12.206 0.436 -33.094 1.00 0.00 WAT +ATOM 12740 OH2 TIP3 2144 -19.119 -1.662 -35.055 1.00 0.00 WAT +ATOM 12741 H1 TIP3 2144 -19.000 -0.801 -35.501 1.00 0.00 WAT +ATOM 12742 H2 TIP3 2144 -19.505 -2.178 -35.786 1.00 0.00 WAT +ATOM 12743 OH2 TIP3 2145 -11.305 -1.515 -36.755 1.00 0.00 WAT +ATOM 12744 H1 TIP3 2145 -10.737 -1.940 -36.077 1.00 0.00 WAT +ATOM 12745 H2 TIP3 2145 -10.638 -1.061 -37.291 1.00 0.00 WAT +ATOM 12746 OH2 TIP3 2146 -22.430 1.105 -34.552 1.00 0.00 WAT +ATOM 12747 H1 TIP3 2146 -21.844 0.609 -33.956 1.00 0.00 WAT +ATOM 12748 H2 TIP3 2146 -22.369 0.578 -35.368 1.00 0.00 WAT +ATOM 12749 OH2 TIP3 2147 -17.054 2.462 -35.090 1.00 0.00 WAT +ATOM 12750 H1 TIP3 2147 -16.360 1.905 -34.686 1.00 0.00 WAT +ATOM 12751 H2 TIP3 2147 -17.570 1.795 -35.582 1.00 0.00 WAT +ATOM 12752 OH2 TIP3 2148 -6.023 -1.114 -29.521 1.00 0.00 WAT +ATOM 12753 H1 TIP3 2148 -6.629 -0.397 -29.778 1.00 0.00 WAT +ATOM 12754 H2 TIP3 2148 -6.183 -1.148 -28.567 1.00 0.00 WAT +ATOM 12755 OH2 TIP3 2149 -20.329 -2.878 -30.899 1.00 0.00 WAT +ATOM 12756 H1 TIP3 2149 -20.743 -2.353 -31.600 1.00 0.00 WAT +ATOM 12757 H2 TIP3 2149 -20.982 -2.750 -30.177 1.00 0.00 WAT +ATOM 12758 OH2 TIP3 2150 -12.834 6.906 -37.503 1.00 0.00 WAT +ATOM 12759 H1 TIP3 2150 -13.173 6.650 -38.365 1.00 0.00 WAT +ATOM 12760 H2 TIP3 2150 -13.310 7.736 -37.326 1.00 0.00 WAT +ATOM 12761 OH2 TIP3 2151 -17.388 5.023 -30.757 1.00 0.00 WAT +ATOM 12762 H1 TIP3 2151 -18.143 5.600 -30.514 1.00 0.00 WAT +ATOM 12763 H2 TIP3 2151 -16.788 5.641 -31.211 1.00 0.00 WAT +ATOM 12764 OH2 TIP3 2152 -9.451 -2.244 -34.700 1.00 0.00 WAT +ATOM 12765 H1 TIP3 2152 -9.867 -2.829 -34.054 1.00 0.00 WAT +ATOM 12766 H2 TIP3 2152 -8.943 -1.647 -34.124 1.00 0.00 WAT +ATOM 12767 OH2 TIP3 2153 -20.733 -0.819 -32.946 1.00 0.00 WAT +ATOM 12768 H1 TIP3 2153 -20.090 -0.247 -32.477 1.00 0.00 WAT +ATOM 12769 H2 TIP3 2153 -20.158 -1.192 -33.648 1.00 0.00 WAT +ATOM 12770 OH2 TIP3 2154 -19.403 6.895 -30.033 1.00 0.00 WAT +ATOM 12771 H1 TIP3 2154 -19.467 7.822 -30.325 1.00 0.00 WAT +ATOM 12772 H2 TIP3 2154 -20.275 6.789 -29.606 1.00 0.00 WAT +ATOM 12773 OH2 TIP3 2155 -23.088 6.593 -39.192 1.00 0.00 WAT +ATOM 12774 H1 TIP3 2155 -23.318 7.016 -40.043 1.00 0.00 WAT +ATOM 12775 H2 TIP3 2155 -22.964 7.339 -38.580 1.00 0.00 WAT +ATOM 12776 OH2 TIP3 2156 -9.650 8.045 -32.362 1.00 0.00 WAT +ATOM 12777 H1 TIP3 2156 -10.618 8.149 -32.362 1.00 0.00 WAT +ATOM 12778 H2 TIP3 2156 -9.374 8.890 -32.755 1.00 0.00 WAT +ATOM 12779 OH2 TIP3 2157 -9.327 -3.097 -30.854 1.00 0.00 WAT +ATOM 12780 H1 TIP3 2157 -10.098 -2.697 -31.298 1.00 0.00 WAT +ATOM 12781 H2 TIP3 2157 -8.603 -2.900 -31.478 1.00 0.00 WAT +ATOM 12782 OH2 TIP3 2158 -16.199 -5.372 -33.814 1.00 0.00 WAT +ATOM 12783 H1 TIP3 2158 -16.424 -6.321 -33.844 1.00 0.00 WAT +ATOM 12784 H2 TIP3 2158 -17.017 -4.989 -33.429 1.00 0.00 WAT +ATOM 12785 OH2 TIP3 2159 -11.366 9.991 -35.814 1.00 0.00 WAT +ATOM 12786 H1 TIP3 2159 -10.899 9.189 -36.125 1.00 0.00 WAT +ATOM 12787 H2 TIP3 2159 -10.674 10.668 -35.939 1.00 0.00 WAT +ATOM 12788 OH2 TIP3 2160 -9.914 7.856 -37.188 1.00 0.00 WAT +ATOM 12789 H1 TIP3 2160 -10.405 7.388 -37.878 1.00 0.00 WAT +ATOM 12790 H2 TIP3 2160 -9.958 7.209 -36.457 1.00 0.00 WAT +ATOM 12791 OH2 TIP3 2161 -8.398 6.699 -28.714 1.00 0.00 WAT +ATOM 12792 H1 TIP3 2161 -8.467 5.998 -29.391 1.00 0.00 WAT +ATOM 12793 H2 TIP3 2161 -8.205 7.486 -29.252 1.00 0.00 WAT +ATOM 12794 OH2 TIP3 2162 -14.061 3.546 -39.049 1.00 0.00 WAT +ATOM 12795 H1 TIP3 2162 -14.735 4.158 -39.402 1.00 0.00 WAT +ATOM 12796 H2 TIP3 2162 -13.344 3.637 -39.695 1.00 0.00 WAT +ATOM 12797 OH2 TIP3 2163 -13.889 1.797 -42.073 1.00 0.00 WAT +ATOM 12798 H1 TIP3 2163 -13.215 2.098 -41.442 1.00 0.00 WAT +ATOM 12799 H2 TIP3 2163 -13.348 1.183 -42.618 1.00 0.00 WAT +ATOM 12800 OH2 TIP3 2164 -6.593 2.836 -30.765 1.00 0.00 WAT +ATOM 12801 H1 TIP3 2164 -7.317 3.484 -30.662 1.00 0.00 WAT +ATOM 12802 H2 TIP3 2164 -6.129 3.191 -31.547 1.00 0.00 WAT +ATOM 12803 OH2 TIP3 2165 -10.580 3.566 -37.941 1.00 0.00 WAT +ATOM 12804 H1 TIP3 2165 -11.274 3.770 -37.273 1.00 0.00 WAT +ATOM 12805 H2 TIP3 2165 -9.990 2.994 -37.418 1.00 0.00 WAT +ATOM 12806 OH2 TIP3 2166 -10.739 2.107 -29.079 1.00 0.00 WAT +ATOM 12807 H1 TIP3 2166 -10.679 2.930 -28.566 1.00 0.00 WAT +ATOM 12808 H2 TIP3 2166 -11.404 2.385 -29.735 1.00 0.00 WAT +ATOM 12809 OH2 TIP3 2167 -18.970 4.349 -36.174 1.00 0.00 WAT +ATOM 12810 H1 TIP3 2167 -19.296 3.900 -36.978 1.00 0.00 WAT +ATOM 12811 H2 TIP3 2167 -18.348 3.691 -35.815 1.00 0.00 WAT +ATOM 12812 OH2 TIP3 2168 -17.598 7.772 -33.431 1.00 0.00 WAT +ATOM 12813 H1 TIP3 2168 -17.746 7.344 -34.286 1.00 0.00 WAT +ATOM 12814 H2 TIP3 2168 -16.824 7.277 -33.097 1.00 0.00 WAT +ATOM 12815 OH2 TIP3 2169 -18.396 3.154 -32.681 1.00 0.00 WAT +ATOM 12816 H1 TIP3 2169 -17.811 3.180 -33.460 1.00 0.00 WAT +ATOM 12817 H2 TIP3 2169 -17.995 3.807 -32.080 1.00 0.00 WAT +ATOM 12818 OH2 TIP3 2170 -12.478 8.711 -32.064 1.00 0.00 WAT +ATOM 12819 H1 TIP3 2170 -12.422 9.297 -31.297 1.00 0.00 WAT +ATOM 12820 H2 TIP3 2170 -12.687 7.847 -31.665 1.00 0.00 WAT +ATOM 12821 OH2 TIP3 2171 -17.490 7.557 -27.885 1.00 0.00 WAT +ATOM 12822 H1 TIP3 2171 -18.074 8.119 -27.348 1.00 0.00 WAT +ATOM 12823 H2 TIP3 2171 -18.122 7.205 -28.542 1.00 0.00 WAT +ATOM 12824 OH2 TIP3 2172 -11.507 3.031 -40.568 1.00 0.00 WAT +ATOM 12825 H1 TIP3 2172 -11.090 3.286 -39.718 1.00 0.00 WAT +ATOM 12826 H2 TIP3 2172 -10.899 3.454 -41.206 1.00 0.00 WAT +ATOM 12827 OH2 TIP3 2173 -20.655 3.915 -28.755 1.00 0.00 WAT +ATOM 12828 H1 TIP3 2173 -20.608 4.403 -27.917 1.00 0.00 WAT +ATOM 12829 H2 TIP3 2173 -21.605 3.693 -28.797 1.00 0.00 WAT +ATOM 12830 OH2 TIP3 2174 -14.190 9.617 -36.955 1.00 0.00 WAT +ATOM 12831 H1 TIP3 2174 -13.666 9.874 -36.187 1.00 0.00 WAT +ATOM 12832 H2 TIP3 2174 -14.650 10.435 -37.193 1.00 0.00 WAT +ATOM 12833 OH2 TIP3 2175 -19.474 9.691 -26.992 1.00 0.00 WAT +ATOM 12834 H1 TIP3 2175 -19.565 9.673 -27.962 1.00 0.00 WAT +ATOM 12835 H2 TIP3 2175 -20.352 9.392 -26.687 1.00 0.00 WAT +ATOM 12836 OH2 TIP3 2176 -8.095 -5.346 -40.776 1.00 0.00 WAT +ATOM 12837 H1 TIP3 2176 -9.038 -5.230 -40.550 1.00 0.00 WAT +ATOM 12838 H2 TIP3 2176 -7.844 -4.436 -41.000 1.00 0.00 WAT +ATOM 12839 OH2 TIP3 2177 -20.052 3.082 -38.634 1.00 0.00 WAT +ATOM 12840 H1 TIP3 2177 -20.307 3.833 -39.199 1.00 0.00 WAT +ATOM 12841 H2 TIP3 2177 -20.727 2.428 -38.858 1.00 0.00 WAT +ATOM 12842 OH2 TIP3 2178 -7.051 8.947 -42.422 1.00 0.00 WAT +ATOM 12843 H1 TIP3 2178 -6.716 9.827 -42.183 1.00 0.00 WAT +ATOM 12844 H2 TIP3 2178 -6.258 8.388 -42.389 1.00 0.00 WAT +ATOM 12845 OH2 TIP3 2179 -23.993 5.746 -29.903 1.00 0.00 WAT +ATOM 12846 H1 TIP3 2179 -24.453 5.711 -30.763 1.00 0.00 WAT +ATOM 12847 H2 TIP3 2179 -23.883 4.795 -29.707 1.00 0.00 WAT +ATOM 12848 OH2 TIP3 2180 -23.952 8.723 -32.973 1.00 0.00 WAT +ATOM 12849 H1 TIP3 2180 -23.056 8.354 -32.941 1.00 0.00 WAT +ATOM 12850 H2 TIP3 2180 -23.966 9.255 -32.166 1.00 0.00 WAT +ATOM 12851 OH2 TIP3 2181 -5.582 9.294 -27.217 1.00 0.00 WAT +ATOM 12852 H1 TIP3 2181 -5.671 8.337 -27.379 1.00 0.00 WAT +ATOM 12853 H2 TIP3 2181 -6.487 9.512 -26.906 1.00 0.00 WAT +ATOM 12854 OH2 TIP3 2182 -14.936 8.838 -28.256 1.00 0.00 WAT +ATOM 12855 H1 TIP3 2182 -14.904 9.551 -27.611 1.00 0.00 WAT +ATOM 12856 H2 TIP3 2182 -15.802 8.423 -28.059 1.00 0.00 WAT +ATOM 12857 OH2 TIP3 2183 -14.622 12.321 -38.463 1.00 0.00 WAT +ATOM 12858 H1 TIP3 2183 -14.615 12.420 -39.430 1.00 0.00 WAT +ATOM 12859 H2 TIP3 2183 -14.562 13.237 -38.150 1.00 0.00 WAT +ATOM 12860 OH2 TIP3 2184 -20.848 11.471 -36.796 1.00 0.00 WAT +ATOM 12861 H1 TIP3 2184 -20.659 11.024 -35.946 1.00 0.00 WAT +ATOM 12862 H2 TIP3 2184 -21.662 11.016 -37.054 1.00 0.00 WAT +ATOM 12863 OH2 TIP3 2185 -11.372 11.893 -41.460 1.00 0.00 WAT +ATOM 12864 H1 TIP3 2185 -10.912 11.309 -42.102 1.00 0.00 WAT +ATOM 12865 H2 TIP3 2185 -11.292 11.367 -40.651 1.00 0.00 WAT +ATOM 12866 OH2 TIP3 2186 -11.889 11.236 -38.601 1.00 0.00 WAT +ATOM 12867 H1 TIP3 2186 -12.833 11.358 -38.405 1.00 0.00 WAT +ATOM 12868 H2 TIP3 2186 -11.668 10.514 -37.991 1.00 0.00 WAT +ATOM 12869 OH2 TIP3 2187 -8.782 0.683 -26.735 1.00 0.00 WAT +ATOM 12870 H1 TIP3 2187 -9.305 1.029 -27.469 1.00 0.00 WAT +ATOM 12871 H2 TIP3 2187 -8.737 -0.267 -26.953 1.00 0.00 WAT +ATOM 12872 OH2 TIP3 2188 -21.825 7.319 -28.630 1.00 0.00 WAT +ATOM 12873 H1 TIP3 2188 -21.529 6.818 -27.842 1.00 0.00 WAT +ATOM 12874 H2 TIP3 2188 -22.554 6.767 -28.971 1.00 0.00 WAT +ATOM 12875 OH2 TIP3 2189 -18.615 -4.224 -32.894 1.00 0.00 WAT +ATOM 12876 H1 TIP3 2189 -19.449 -4.294 -33.395 1.00 0.00 WAT +ATOM 12877 H2 TIP3 2189 -18.851 -3.506 -32.284 1.00 0.00 WAT +ATOM 12878 OH2 TIP3 2190 -14.244 -4.665 -29.270 1.00 0.00 WAT +ATOM 12879 H1 TIP3 2190 -13.722 -5.162 -28.609 1.00 0.00 WAT +ATOM 12880 H2 TIP3 2190 -15.153 -4.984 -29.115 1.00 0.00 WAT +ATOM 12881 OH2 TIP3 2191 -11.102 -0.848 -28.734 1.00 0.00 WAT +ATOM 12882 H1 TIP3 2191 -11.695 -1.023 -27.981 1.00 0.00 WAT +ATOM 12883 H2 TIP3 2191 -11.166 0.115 -28.850 1.00 0.00 WAT +ATOM 12884 OH2 TIP3 2192 -9.261 3.826 -42.518 1.00 0.00 WAT +ATOM 12885 H1 TIP3 2192 -9.764 3.691 -43.337 1.00 0.00 WAT +ATOM 12886 H2 TIP3 2192 -8.966 4.736 -42.665 1.00 0.00 WAT +ATOM 12887 OH2 TIP3 2193 -14.422 -2.258 -42.157 1.00 0.00 WAT +ATOM 12888 H1 TIP3 2193 -14.974 -2.220 -41.365 1.00 0.00 WAT +ATOM 12889 H2 TIP3 2193 -14.871 -2.950 -42.658 1.00 0.00 WAT +ATOM 12890 OH2 TIP3 2194 -18.756 0.559 -31.478 1.00 0.00 WAT +ATOM 12891 H1 TIP3 2194 -19.341 0.655 -30.706 1.00 0.00 WAT +ATOM 12892 H2 TIP3 2194 -18.713 1.474 -31.827 1.00 0.00 WAT +ATOM 12893 OH2 TIP3 2195 -18.820 0.650 -36.608 1.00 0.00 WAT +ATOM 12894 H1 TIP3 2195 -19.778 0.532 -36.755 1.00 0.00 WAT +ATOM 12895 H2 TIP3 2195 -18.479 0.435 -37.499 1.00 0.00 WAT +ATOM 12896 OH2 TIP3 2196 -13.137 1.179 -37.857 1.00 0.00 WAT +ATOM 12897 H1 TIP3 2196 -13.546 2.007 -38.184 1.00 0.00 WAT +ATOM 12898 H2 TIP3 2196 -12.504 0.983 -38.568 1.00 0.00 WAT +ATOM 12899 OH2 TIP3 2197 -14.021 1.397 -26.472 1.00 0.00 WAT +ATOM 12900 H1 TIP3 2197 -14.534 0.652 -26.097 1.00 0.00 WAT +ATOM 12901 H2 TIP3 2197 -13.159 1.274 -26.033 1.00 0.00 WAT +ATOM 12902 OH2 TIP3 2198 -12.351 0.590 -35.057 1.00 0.00 WAT +ATOM 12903 H1 TIP3 2198 -12.631 1.162 -35.799 1.00 0.00 WAT +ATOM 12904 H2 TIP3 2198 -12.148 -0.226 -35.556 1.00 0.00 WAT +ATOM 12905 OH2 TIP3 2199 -21.379 0.725 -29.656 1.00 0.00 WAT +ATOM 12906 H1 TIP3 2199 -21.181 1.019 -28.759 1.00 0.00 WAT +ATOM 12907 H2 TIP3 2199 -21.784 -0.143 -29.481 1.00 0.00 WAT +ATOM 12908 OH2 TIP3 2200 -17.663 -1.868 -43.133 1.00 0.00 WAT +ATOM 12909 H1 TIP3 2200 -18.022 -2.131 -42.264 1.00 0.00 WAT +ATOM 12910 H2 TIP3 2200 -18.418 -1.361 -43.490 1.00 0.00 WAT +ATOM 12911 OH2 TIP3 2201 -24.530 -1.756 -36.039 1.00 0.00 WAT +ATOM 12912 H1 TIP3 2201 -23.962 -1.839 -35.249 1.00 0.00 WAT +ATOM 12913 H2 TIP3 2201 -24.044 -2.230 -36.727 1.00 0.00 WAT +ATOM 12914 OH2 TIP3 2202 -22.999 -1.378 -40.393 1.00 0.00 WAT +ATOM 12915 H1 TIP3 2202 -22.441 -0.879 -41.020 1.00 0.00 WAT +ATOM 12916 H2 TIP3 2202 -23.676 -0.713 -40.168 1.00 0.00 WAT +ATOM 12917 OH2 TIP3 2203 -13.245 2.277 -30.574 1.00 0.00 WAT +ATOM 12918 H1 TIP3 2203 -12.809 1.554 -31.081 1.00 0.00 WAT +ATOM 12919 H2 TIP3 2203 -13.597 1.785 -29.816 1.00 0.00 WAT +ATOM 12920 OH2 TIP3 2204 -16.051 -1.778 -35.577 1.00 0.00 WAT +ATOM 12921 H1 TIP3 2204 -16.996 -1.811 -35.348 1.00 0.00 WAT +ATOM 12922 H2 TIP3 2204 -15.637 -1.971 -34.718 1.00 0.00 WAT +ATOM 12923 OH2 TIP3 2205 -21.451 -0.542 -36.918 1.00 0.00 WAT +ATOM 12924 H1 TIP3 2205 -22.295 -0.289 -37.333 1.00 0.00 WAT +ATOM 12925 H2 TIP3 2205 -21.194 -1.346 -37.406 1.00 0.00 WAT +ATOM 12926 OH2 TIP3 2206 -17.866 -0.166 -39.228 1.00 0.00 WAT +ATOM 12927 H1 TIP3 2206 -16.898 -0.103 -39.160 1.00 0.00 WAT +ATOM 12928 H2 TIP3 2206 -18.096 0.432 -39.959 1.00 0.00 WAT +ATOM 12929 OH2 TIP3 2207 -11.661 -2.634 -32.566 1.00 0.00 WAT +ATOM 12930 H1 TIP3 2207 -12.284 -2.629 -31.805 1.00 0.00 WAT +ATOM 12931 H2 TIP3 2207 -12.255 -2.969 -33.259 1.00 0.00 WAT +ATOM 12932 OH2 TIP3 2208 -19.288 1.002 -41.589 1.00 0.00 WAT +ATOM 12933 H1 TIP3 2208 -19.909 0.484 -42.129 1.00 0.00 WAT +ATOM 12934 H2 TIP3 2208 -18.537 1.131 -42.183 1.00 0.00 WAT +ATOM 12935 OH2 TIP3 2209 -8.710 13.208 -25.885 1.00 0.00 WAT +ATOM 12936 H1 TIP3 2209 -8.401 13.577 -26.732 1.00 0.00 WAT +ATOM 12937 H2 TIP3 2209 -7.967 13.432 -25.295 1.00 0.00 WAT +ATOM 12938 OH2 TIP3 2210 -20.706 5.830 -26.442 1.00 0.00 WAT +ATOM 12939 H1 TIP3 2210 -20.076 5.832 -25.694 1.00 0.00 WAT +ATOM 12940 H2 TIP3 2210 -21.542 5.692 -25.952 1.00 0.00 WAT +ATOM 12941 OH2 TIP3 2211 -15.030 0.776 -33.748 1.00 0.00 WAT +ATOM 12942 H1 TIP3 2211 -14.301 0.325 -34.199 1.00 0.00 WAT +ATOM 12943 H2 TIP3 2211 -15.209 0.172 -32.998 1.00 0.00 WAT +ATOM 12944 OH2 TIP3 2212 -19.720 -2.820 -37.652 1.00 0.00 WAT +ATOM 12945 H1 TIP3 2212 -20.281 -3.591 -37.463 1.00 0.00 WAT +ATOM 12946 H2 TIP3 2212 -18.887 -3.228 -37.927 1.00 0.00 WAT +ATOM 12947 OH2 TIP3 2213 -16.046 -0.748 -31.522 1.00 0.00 WAT +ATOM 12948 H1 TIP3 2213 -16.841 -0.192 -31.474 1.00 0.00 WAT +ATOM 12949 H2 TIP3 2213 -15.567 -0.522 -30.700 1.00 0.00 WAT +ATOM 12950 OH2 TIP3 2214 -15.915 5.616 -39.605 1.00 0.00 WAT +ATOM 12951 H1 TIP3 2214 -16.680 5.113 -39.953 1.00 0.00 WAT +ATOM 12952 H2 TIP3 2214 -16.112 5.662 -38.640 1.00 0.00 WAT +ATOM 12953 OH2 TIP3 2215 -8.698 4.790 -30.866 1.00 0.00 WAT +ATOM 12954 H1 TIP3 2215 -8.202 5.320 -31.525 1.00 0.00 WAT +ATOM 12955 H2 TIP3 2215 -9.552 4.661 -31.322 1.00 0.00 WAT +ATOM 12956 OH2 TIP3 2216 -11.765 -1.601 -41.845 1.00 0.00 WAT +ATOM 12957 H1 TIP3 2216 -12.744 -1.636 -41.854 1.00 0.00 WAT +ATOM 12958 H2 TIP3 2216 -11.554 -0.851 -41.255 1.00 0.00 WAT +ATOM 12959 OH2 TIP3 2217 -14.253 5.750 -28.292 1.00 0.00 WAT +ATOM 12960 H1 TIP3 2217 -14.547 5.291 -27.491 1.00 0.00 WAT +ATOM 12961 H2 TIP3 2217 -14.659 6.619 -28.197 1.00 0.00 WAT +ATOM 12962 OH2 TIP3 2218 -11.154 0.239 -39.878 1.00 0.00 WAT +ATOM 12963 H1 TIP3 2218 -10.290 0.059 -39.457 1.00 0.00 WAT +ATOM 12964 H2 TIP3 2218 -11.005 1.108 -40.292 1.00 0.00 WAT +ATOM 12965 OH2 TIP3 2219 -20.752 5.032 -33.771 1.00 0.00 WAT +ATOM 12966 H1 TIP3 2219 -20.218 4.880 -34.568 1.00 0.00 WAT +ATOM 12967 H2 TIP3 2219 -20.709 4.165 -33.332 1.00 0.00 WAT +ATOM 12968 OH2 TIP3 2220 -13.482 6.961 -40.685 1.00 0.00 WAT +ATOM 12969 H1 TIP3 2220 -13.772 7.841 -40.368 1.00 0.00 WAT +ATOM 12970 H2 TIP3 2220 -14.248 6.419 -40.418 1.00 0.00 WAT +ATOM 12971 OH2 TIP3 2221 -23.484 3.256 -28.524 1.00 0.00 WAT +ATOM 12972 H1 TIP3 2221 -23.405 2.819 -27.652 1.00 0.00 WAT +ATOM 12973 H2 TIP3 2221 -24.203 2.745 -28.936 1.00 0.00 WAT +ATOM 12974 OH2 TIP3 2222 -16.529 2.848 -26.561 1.00 0.00 WAT +ATOM 12975 H1 TIP3 2222 -16.895 2.522 -27.401 1.00 0.00 WAT +ATOM 12976 H2 TIP3 2222 -15.623 2.492 -26.608 1.00 0.00 WAT +ATOM 12977 OH2 TIP3 2223 -12.005 8.356 -28.845 1.00 0.00 WAT +ATOM 12978 H1 TIP3 2223 -12.975 8.360 -28.864 1.00 0.00 WAT +ATOM 12979 H2 TIP3 2223 -11.818 8.434 -27.899 1.00 0.00 WAT +ATOM 12980 OH2 TIP3 2224 -6.425 0.328 -39.994 1.00 0.00 WAT +ATOM 12981 H1 TIP3 2224 -7.065 0.150 -40.715 1.00 0.00 WAT +ATOM 12982 H2 TIP3 2224 -6.317 1.281 -40.156 1.00 0.00 WAT +ATOM 12983 OH2 TIP3 2225 -6.043 6.357 -27.265 1.00 0.00 WAT +ATOM 12984 H1 TIP3 2225 -6.990 6.534 -27.445 1.00 0.00 WAT +ATOM 12985 H2 TIP3 2225 -5.725 6.127 -28.162 1.00 0.00 WAT +ATOM 12986 OH2 TIP3 2226 -8.234 8.894 -39.900 1.00 0.00 WAT +ATOM 12987 H1 TIP3 2226 -8.490 8.094 -39.421 1.00 0.00 WAT +ATOM 12988 H2 TIP3 2226 -7.874 8.544 -40.733 1.00 0.00 WAT +ATOM 12989 OH2 TIP3 2227 -11.040 4.225 -32.581 1.00 0.00 WAT +ATOM 12990 H1 TIP3 2227 -11.973 4.044 -32.803 1.00 0.00 WAT +ATOM 12991 H2 TIP3 2227 -10.598 3.490 -33.049 1.00 0.00 WAT +ATOM 12992 OH2 TIP3 2228 -18.404 8.291 -36.527 1.00 0.00 WAT +ATOM 12993 H1 TIP3 2228 -17.987 9.157 -36.658 1.00 0.00 WAT +ATOM 12994 H2 TIP3 2228 -19.323 8.473 -36.759 1.00 0.00 WAT +ATOM 12995 OH2 TIP3 2229 -22.330 3.205 -42.000 1.00 0.00 WAT +ATOM 12996 H1 TIP3 2229 -21.792 3.856 -41.513 1.00 0.00 WAT +ATOM 12997 H2 TIP3 2229 -23.232 3.397 -41.675 1.00 0.00 WAT +ATOM 12998 OH2 TIP3 2230 -16.571 5.991 -36.904 1.00 0.00 WAT +ATOM 12999 H1 TIP3 2230 -16.898 6.892 -36.750 1.00 0.00 WAT +ATOM 13000 H2 TIP3 2230 -17.266 5.465 -36.479 1.00 0.00 WAT +ATOM 13001 OH2 TIP3 2231 -16.392 10.224 -30.519 1.00 0.00 WAT +ATOM 13002 H1 TIP3 2231 -15.824 10.940 -30.850 1.00 0.00 WAT +ATOM 13003 H2 TIP3 2231 -15.773 9.726 -29.959 1.00 0.00 WAT +ATOM 13004 OH2 TIP3 2232 -17.962 11.195 -37.334 1.00 0.00 WAT +ATOM 13005 H1 TIP3 2232 -18.918 11.332 -37.242 1.00 0.00 WAT +ATOM 13006 H2 TIP3 2232 -17.614 12.071 -37.082 1.00 0.00 WAT +ATOM 13007 OH2 TIP3 2233 -12.986 6.017 -30.974 1.00 0.00 WAT +ATOM 13008 H1 TIP3 2233 -13.296 5.717 -30.099 1.00 0.00 WAT +ATOM 13009 H2 TIP3 2233 -12.270 5.385 -31.158 1.00 0.00 WAT +ATOM 13010 OH2 TIP3 2234 -10.890 7.162 -41.963 1.00 0.00 WAT +ATOM 13011 H1 TIP3 2234 -10.363 6.781 -41.237 1.00 0.00 WAT +ATOM 13012 H2 TIP3 2234 -11.768 7.134 -41.552 1.00 0.00 WAT +ATOM 13013 OH2 TIP3 2235 -10.097 10.625 -28.532 1.00 0.00 WAT +ATOM 13014 H1 TIP3 2235 -10.829 10.133 -28.952 1.00 0.00 WAT +ATOM 13015 H2 TIP3 2235 -9.996 11.386 -29.132 1.00 0.00 WAT +ATOM 13016 OH2 TIP3 2236 -5.913 11.715 -41.393 1.00 0.00 WAT +ATOM 13017 H1 TIP3 2236 -5.238 12.422 -41.451 1.00 0.00 WAT +ATOM 13018 H2 TIP3 2236 -6.726 12.250 -41.313 1.00 0.00 WAT +ATOM 13019 OH2 TIP3 2237 -22.195 -2.091 -28.939 1.00 0.00 WAT +ATOM 13020 H1 TIP3 2237 -23.108 -1.781 -29.111 1.00 0.00 WAT +ATOM 13021 H2 TIP3 2237 -22.356 -2.930 -28.471 1.00 0.00 WAT +ATOM 13022 OH2 TIP3 2238 -9.854 5.881 -39.665 1.00 0.00 WAT +ATOM 13023 H1 TIP3 2238 -10.121 5.173 -39.051 1.00 0.00 WAT +ATOM 13024 H2 TIP3 2238 -8.882 5.845 -39.592 1.00 0.00 WAT +ATOM 13025 OH2 TIP3 2239 -22.450 9.685 -30.504 1.00 0.00 WAT +ATOM 13026 H1 TIP3 2239 -22.179 8.767 -30.352 1.00 0.00 WAT +ATOM 13027 H2 TIP3 2239 -22.224 10.070 -29.649 1.00 0.00 WAT +ATOM 13028 OH2 TIP3 2240 -16.350 8.318 -43.257 1.00 0.00 WAT +ATOM 13029 H1 TIP3 2240 -15.960 7.476 -43.548 1.00 0.00 WAT +ATOM 13030 H2 TIP3 2240 -16.907 8.015 -42.513 1.00 0.00 WAT +ATOM 13031 OH2 TIP3 2241 -17.812 7.871 -40.735 1.00 0.00 WAT +ATOM 13032 H1 TIP3 2241 -17.275 7.325 -40.142 1.00 0.00 WAT +ATOM 13033 H2 TIP3 2241 -17.573 8.780 -40.471 1.00 0.00 WAT +ATOM 13034 OH2 TIP3 2242 -20.924 5.233 -40.369 1.00 0.00 WAT +ATOM 13035 H1 TIP3 2242 -21.675 5.638 -39.888 1.00 0.00 WAT +ATOM 13036 H2 TIP3 2242 -20.449 6.025 -40.665 1.00 0.00 WAT +ATOM 13037 OH2 TIP3 2243 -13.223 -2.243 -30.369 1.00 0.00 WAT +ATOM 13038 H1 TIP3 2243 -12.633 -1.957 -29.656 1.00 0.00 WAT +ATOM 13039 H2 TIP3 2243 -13.726 -2.971 -29.952 1.00 0.00 WAT +ATOM 13040 OH2 TIP3 2244 -12.629 -2.690 -39.214 1.00 0.00 WAT +ATOM 13041 H1 TIP3 2244 -12.328 -2.180 -39.983 1.00 0.00 WAT +ATOM 13042 H2 TIP3 2244 -12.136 -2.272 -38.491 1.00 0.00 WAT +ATOM 13043 OH2 TIP3 2245 -14.832 9.456 -40.274 1.00 0.00 WAT +ATOM 13044 H1 TIP3 2245 -15.612 9.978 -40.031 1.00 0.00 WAT +ATOM 13045 H2 TIP3 2245 -14.309 10.107 -40.758 1.00 0.00 WAT +ATOM 13046 OH2 TIP3 2246 -15.201 -0.763 -38.151 1.00 0.00 WAT +ATOM 13047 H1 TIP3 2246 -14.414 -0.201 -37.998 1.00 0.00 WAT +ATOM 13048 H2 TIP3 2246 -15.492 -0.948 -37.238 1.00 0.00 WAT +ATOM 13049 OH2 TIP3 2247 -14.779 0.134 -29.005 1.00 0.00 WAT +ATOM 13050 H1 TIP3 2247 -14.773 0.631 -28.169 1.00 0.00 WAT +ATOM 13051 H2 TIP3 2247 -14.295 -0.663 -28.750 1.00 0.00 WAT +ATOM 13052 OH2 TIP3 2248 -14.569 -3.757 -37.243 1.00 0.00 WAT +ATOM 13053 H1 TIP3 2248 -14.766 -3.084 -36.564 1.00 0.00 WAT +ATOM 13054 H2 TIP3 2248 -13.856 -3.314 -37.745 1.00 0.00 WAT +ATOM 13055 OH2 TIP3 2249 -17.630 10.651 -40.250 1.00 0.00 WAT +ATOM 13056 H1 TIP3 2249 -17.594 11.505 -40.726 1.00 0.00 WAT +ATOM 13057 H2 TIP3 2249 -17.759 10.930 -39.325 1.00 0.00 WAT +ATOM 13058 OH2 TIP3 2250 -18.850 -2.687 -40.808 1.00 0.00 WAT +ATOM 13059 H1 TIP3 2250 -18.942 -1.994 -40.133 1.00 0.00 WAT +ATOM 13060 H2 TIP3 2250 -18.111 -3.208 -40.444 1.00 0.00 WAT +ATOM 13061 OH2 TIP3 2251 -8.559 -1.854 -28.107 1.00 0.00 WAT +ATOM 13062 H1 TIP3 2251 -9.516 -1.729 -28.257 1.00 0.00 WAT +ATOM 13063 H2 TIP3 2251 -8.299 -2.097 -29.007 1.00 0.00 WAT +ATOM 13064 OH2 TIP3 2252 -10.033 1.968 -34.093 1.00 0.00 WAT +ATOM 13065 H1 TIP3 2252 -10.859 1.514 -34.345 1.00 0.00 WAT +ATOM 13066 H2 TIP3 2252 -9.554 1.261 -33.608 1.00 0.00 WAT +ATOM 13067 OH2 TIP3 2253 -20.513 8.230 -41.576 1.00 0.00 WAT +ATOM 13068 H1 TIP3 2253 -19.679 8.467 -41.135 1.00 0.00 WAT +ATOM 13069 H2 TIP3 2253 -20.165 7.693 -42.305 1.00 0.00 WAT +ATOM 13070 OH2 TIP3 2254 -22.250 0.380 -42.576 1.00 0.00 WAT +ATOM 13071 H1 TIP3 2254 -22.131 1.333 -42.392 1.00 0.00 WAT +ATOM 13072 H2 TIP3 2254 -23.172 0.362 -42.887 1.00 0.00 WAT +ATOM 13073 OH2 TIP3 2255 -9.047 10.853 -32.675 1.00 0.00 WAT +ATOM 13074 H1 TIP3 2255 -9.179 11.664 -33.203 1.00 0.00 WAT +ATOM 13075 H2 TIP3 2255 -8.111 10.947 -32.442 1.00 0.00 WAT +ATOM 13076 OH2 TIP3 2256 -21.369 -4.688 -33.713 1.00 0.00 WAT +ATOM 13077 H1 TIP3 2256 -21.594 -4.688 -34.665 1.00 0.00 WAT +ATOM 13078 H2 TIP3 2256 -21.749 -5.531 -33.401 1.00 0.00 WAT +ATOM 13079 OH2 TIP3 2257 -22.490 8.917 -37.416 1.00 0.00 WAT +ATOM 13080 H1 TIP3 2257 -23.336 9.363 -37.292 1.00 0.00 WAT +ATOM 13081 H2 TIP3 2257 -22.145 9.341 -38.213 1.00 0.00 WAT +ATOM 13082 OH2 TIP3 2258 -23.117 11.727 -26.293 1.00 0.00 WAT +ATOM 13083 H1 TIP3 2258 -22.537 11.423 -25.570 1.00 0.00 WAT +ATOM 13084 H2 TIP3 2258 -23.498 10.874 -26.586 1.00 0.00 WAT +ATOM 13085 OH2 TIP3 2259 -18.269 10.849 -24.609 1.00 0.00 WAT +ATOM 13086 H1 TIP3 2259 -17.720 10.097 -24.338 1.00 0.00 WAT +ATOM 13087 H2 TIP3 2259 -18.680 10.491 -25.416 1.00 0.00 WAT +ATOM 13088 OH2 TIP3 2260 -14.210 10.155 -43.317 1.00 0.00 WAT +ATOM 13089 H1 TIP3 2260 -15.007 9.588 -43.258 1.00 0.00 WAT +ATOM 13090 H2 TIP3 2260 -13.539 9.480 -43.505 1.00 0.00 WAT +ATOM 13091 OH2 TIP3 2261 -11.985 9.107 -25.807 1.00 0.00 WAT +ATOM 13092 H1 TIP3 2261 -12.333 8.249 -25.495 1.00 0.00 WAT +ATOM 13093 H2 TIP3 2261 -11.199 9.216 -25.241 1.00 0.00 WAT +ATOM 13094 OH2 TIP3 2262 -10.259 9.818 -42.851 1.00 0.00 WAT +ATOM 13095 H1 TIP3 2262 -9.798 9.109 -42.383 1.00 0.00 WAT +ATOM 13096 H2 TIP3 2262 -9.539 10.378 -43.215 1.00 0.00 WAT +ATOM 13097 OH2 TIP3 2263 -23.132 5.456 -25.225 1.00 0.00 WAT +ATOM 13098 H1 TIP3 2263 -23.080 4.494 -25.374 1.00 0.00 WAT +ATOM 13099 H2 TIP3 2263 -23.934 5.678 -25.735 1.00 0.00 WAT +ATOM 13100 OH2 TIP3 2264 -18.877 5.970 -43.061 1.00 0.00 WAT +ATOM 13101 H1 TIP3 2264 -18.783 5.245 -42.427 1.00 0.00 WAT +ATOM 13102 H2 TIP3 2264 -18.214 5.751 -43.731 1.00 0.00 WAT +ATOM 13103 OH2 TIP3 2265 -16.524 5.588 -25.836 1.00 0.00 WAT +ATOM 13104 H1 TIP3 2265 -16.836 5.827 -26.721 1.00 0.00 WAT +ATOM 13105 H2 TIP3 2265 -16.416 4.615 -25.919 1.00 0.00 WAT +ATOM 13106 OH2 TIP3 2266 -13.603 6.958 -43.477 1.00 0.00 WAT +ATOM 13107 H1 TIP3 2266 -13.425 7.091 -42.528 1.00 0.00 WAT +ATOM 13108 H2 TIP3 2266 -12.939 6.296 -43.717 1.00 0.00 WAT +ATOM 13109 OH2 TIP3 2267 -11.166 5.155 -28.435 1.00 0.00 WAT +ATOM 13110 H1 TIP3 2267 -10.374 5.683 -28.622 1.00 0.00 WAT +ATOM 13111 H2 TIP3 2267 -11.866 5.824 -28.457 1.00 0.00 WAT +ATOM 13112 OH2 TIP3 2268 -22.326 2.526 -25.957 1.00 0.00 WAT +ATOM 13113 H1 TIP3 2268 -21.692 1.791 -25.964 1.00 0.00 WAT +ATOM 13114 H2 TIP3 2268 -22.391 2.684 -24.999 1.00 0.00 WAT +ATOM 13115 OH2 TIP3 2269 -17.860 3.864 -40.883 1.00 0.00 WAT +ATOM 13116 H1 TIP3 2269 -18.488 3.407 -40.303 1.00 0.00 WAT +ATOM 13117 H2 TIP3 2269 -17.524 3.130 -41.431 1.00 0.00 WAT +ATOM 13118 OH2 TIP3 2270 -18.631 1.621 -28.552 1.00 0.00 WAT +ATOM 13119 H1 TIP3 2270 -19.174 2.400 -28.339 1.00 0.00 WAT +ATOM 13120 H2 TIP3 2270 -17.991 1.989 -29.185 1.00 0.00 WAT +ATOM 13121 OH2 TIP3 2271 -16.681 1.985 -42.761 1.00 0.00 WAT +ATOM 13122 H1 TIP3 2271 -16.628 1.713 -43.689 1.00 0.00 WAT +ATOM 13123 H2 TIP3 2271 -15.732 1.955 -42.512 1.00 0.00 WAT +ATOM 13124 OH2 TIP3 2272 -13.338 4.377 -25.035 1.00 0.00 WAT +ATOM 13125 H1 TIP3 2272 -12.438 4.130 -25.296 1.00 0.00 WAT +ATOM 13126 H2 TIP3 2272 -13.619 3.581 -24.556 1.00 0.00 WAT +ATOM 13127 OH2 TIP3 2273 -18.034 -1.049 -27.411 1.00 0.00 WAT +ATOM 13128 H1 TIP3 2273 -18.002 -1.728 -28.109 1.00 0.00 WAT +ATOM 13129 H2 TIP3 2273 -18.278 -0.255 -27.918 1.00 0.00 WAT +ATOM 13130 OH2 TIP3 2274 -17.713 -2.619 -29.974 1.00 0.00 WAT +ATOM 13131 H1 TIP3 2274 -17.207 -2.088 -30.615 1.00 0.00 WAT +ATOM 13132 H2 TIP3 2274 -18.630 -2.577 -30.318 1.00 0.00 WAT +ATOM 13133 OH2 TIP3 2275 -16.160 2.845 -29.566 1.00 0.00 WAT +ATOM 13134 H1 TIP3 2275 -15.331 2.738 -30.052 1.00 0.00 WAT +ATOM 13135 H2 TIP3 2275 -16.470 3.714 -29.887 1.00 0.00 WAT +ATOM 13136 OH2 TIP3 2276 -11.582 0.718 -24.744 1.00 0.00 WAT +ATOM 13137 H1 TIP3 2276 -11.345 -0.220 -24.669 1.00 0.00 WAT +ATOM 13138 H2 TIP3 2276 -10.705 1.124 -24.816 1.00 0.00 WAT +ATOM 13139 OH2 TIP3 2277 -10.623 3.572 -26.251 1.00 0.00 WAT +ATOM 13140 H1 TIP3 2277 -10.956 4.166 -26.954 1.00 0.00 WAT +ATOM 13141 H2 TIP3 2277 -9.728 3.393 -26.598 1.00 0.00 WAT +ATOM 13142 OH2 TIP3 2278 -19.799 0.799 -25.564 1.00 0.00 WAT +ATOM 13143 H1 TIP3 2278 -20.371 0.014 -25.513 1.00 0.00 WAT +ATOM 13144 H2 TIP3 2278 -19.024 0.450 -26.028 1.00 0.00 WAT +ATOM 13145 OH2 TIP3 2279 -16.989 -5.282 -29.621 1.00 0.00 WAT +ATOM 13146 H1 TIP3 2279 -17.168 -4.328 -29.771 1.00 0.00 WAT +ATOM 13147 H2 TIP3 2279 -17.700 -5.694 -30.146 1.00 0.00 WAT +ATOM 13148 OH2 TIP3 2280 -15.747 -0.686 -25.817 1.00 0.00 WAT +ATOM 13149 H1 TIP3 2280 -16.068 -0.945 -24.936 1.00 0.00 WAT +ATOM 13150 H2 TIP3 2280 -16.541 -0.905 -26.351 1.00 0.00 WAT +ATOM 13151 OH2 TIP3 2281 -13.195 -1.687 -26.967 1.00 0.00 WAT +ATOM 13152 H1 TIP3 2281 -14.071 -1.631 -26.544 1.00 0.00 WAT +ATOM 13153 H2 TIP3 2281 -12.720 -2.275 -26.345 1.00 0.00 WAT +ATOM 13154 OH2 TIP3 2282 -11.413 -3.104 -25.119 1.00 0.00 WAT +ATOM 13155 H1 TIP3 2282 -11.512 -4.070 -25.012 1.00 0.00 WAT +ATOM 13156 H2 TIP3 2282 -11.553 -2.769 -24.215 1.00 0.00 WAT +ATOM 13157 OH2 TIP3 2283 -21.164 -1.781 -25.758 1.00 0.00 WAT +ATOM 13158 H1 TIP3 2283 -21.269 -2.499 -26.402 1.00 0.00 WAT +ATOM 13159 H2 TIP3 2283 -21.395 -2.227 -24.921 1.00 0.00 WAT +ATOM 13160 OH2 TIP3 2284 -17.163 -5.806 -26.795 1.00 0.00 WAT +ATOM 13161 H1 TIP3 2284 -16.556 -6.562 -26.742 1.00 0.00 WAT +ATOM 13162 H2 TIP3 2284 -17.177 -5.643 -27.758 1.00 0.00 WAT +ATOM 13163 OH2 TIP3 2285 -16.178 -3.905 -24.996 1.00 0.00 WAT +ATOM 13164 H1 TIP3 2285 -16.532 -4.510 -25.678 1.00 0.00 WAT +ATOM 13165 H2 TIP3 2285 -16.895 -3.258 -24.891 1.00 0.00 WAT +ATOM 13166 OH2 TIP3 2286 -17.078 13.119 -41.714 1.00 0.00 WAT +ATOM 13167 H1 TIP3 2286 -16.124 13.259 -41.618 1.00 0.00 WAT +ATOM 13168 H2 TIP3 2286 -17.324 13.725 -42.431 1.00 0.00 WAT +ATOM 13169 OH2 TIP3 2287 -23.235 7.217 -41.953 1.00 0.00 WAT +ATOM 13170 H1 TIP3 2287 -22.315 7.532 -41.997 1.00 0.00 WAT +ATOM 13171 H2 TIP3 2287 -23.313 6.641 -42.730 1.00 0.00 WAT +ATOM 13172 OH2 TIP3 2288 -24.225 12.703 -37.192 1.00 0.00 WAT +ATOM 13173 H1 TIP3 2288 -24.938 12.333 -37.746 1.00 0.00 WAT +ATOM 13174 H2 TIP3 2288 -24.139 12.019 -36.496 1.00 0.00 WAT +ATOM 13175 OH2 TIP3 2289 -23.877 10.747 -35.185 1.00 0.00 WAT +ATOM 13176 H1 TIP3 2289 -24.120 9.850 -34.901 1.00 0.00 WAT +ATOM 13177 H2 TIP3 2289 -23.480 11.066 -34.360 1.00 0.00 WAT +ATOM 13178 OH2 TIP3 2290 -6.306 12.035 -32.185 1.00 0.00 WAT +ATOM 13179 H1 TIP3 2290 -6.119 11.947 -31.239 1.00 0.00 WAT +ATOM 13180 H2 TIP3 2290 -5.438 12.277 -32.535 1.00 0.00 WAT +ATOM 13181 OH2 TIP3 2291 -6.407 11.443 -29.311 1.00 0.00 WAT +ATOM 13182 H1 TIP3 2291 -6.925 10.695 -29.668 1.00 0.00 WAT +ATOM 13183 H2 TIP3 2291 -5.849 10.968 -28.674 1.00 0.00 WAT +ATOM 13184 OH2 TIP3 2292 -8.424 6.878 -25.062 1.00 0.00 WAT +ATOM 13185 H1 TIP3 2292 -9.243 6.833 -24.545 1.00 0.00 WAT +ATOM 13186 H2 TIP3 2292 -7.942 7.620 -24.668 1.00 0.00 WAT +ATOM 13187 OH2 TIP3 2293 -7.004 5.693 -39.298 1.00 0.00 WAT +ATOM 13188 H1 TIP3 2293 -6.108 6.050 -39.156 1.00 0.00 WAT +ATOM 13189 H2 TIP3 2293 -7.053 5.056 -38.560 1.00 0.00 WAT +ATOM 13190 OH2 TIP3 2294 -6.548 3.704 -37.318 1.00 0.00 WAT +ATOM 13191 H1 TIP3 2294 -7.222 3.153 -36.874 1.00 0.00 WAT +ATOM 13192 H2 TIP3 2294 -5.868 3.832 -36.628 1.00 0.00 WAT +ATOM 13193 OH2 TIP3 2295 -6.828 6.231 -32.353 1.00 0.00 WAT +ATOM 13194 H1 TIP3 2295 -6.200 5.720 -32.889 1.00 0.00 WAT +ATOM 13195 H2 TIP3 2295 -6.665 7.138 -32.660 1.00 0.00 WAT +ATOM 13196 OH2 TIP3 2296 -8.116 9.200 -30.100 1.00 0.00 WAT +ATOM 13197 H1 TIP3 2296 -8.861 9.507 -29.557 1.00 0.00 WAT +ATOM 13198 H2 TIP3 2296 -8.573 8.796 -30.865 1.00 0.00 WAT +ATOM 13199 OH2 TIP3 2297 -6.239 3.398 -41.094 1.00 0.00 WAT +ATOM 13200 H1 TIP3 2297 -6.904 3.654 -41.753 1.00 0.00 WAT +ATOM 13201 H2 TIP3 2297 -6.448 4.035 -40.392 1.00 0.00 WAT +ATOM 13202 OH2 TIP3 2298 -8.028 0.772 -42.105 1.00 0.00 WAT +ATOM 13203 H1 TIP3 2298 -7.795 1.488 -42.717 1.00 0.00 WAT +ATOM 13204 H2 TIP3 2298 -7.748 -0.010 -42.592 1.00 0.00 WAT +ATOM 13205 OH2 TIP3 2299 -8.616 1.850 -36.502 1.00 0.00 WAT +ATOM 13206 H1 TIP3 2299 -8.699 0.896 -36.655 1.00 0.00 WAT +ATOM 13207 H2 TIP3 2299 -8.994 1.948 -35.605 1.00 0.00 WAT +ATOM 13208 OH2 TIP3 2300 -23.778 4.134 -32.812 1.00 0.00 WAT +ATOM 13209 H1 TIP3 2300 -23.516 4.126 -33.749 1.00 0.00 WAT +ATOM 13210 H2 TIP3 2300 -22.935 3.867 -32.390 1.00 0.00 WAT +ATOM 13211 OH2 TIP3 2301 -8.009 3.796 -27.441 1.00 0.00 WAT +ATOM 13212 H1 TIP3 2301 -7.322 3.161 -27.161 1.00 0.00 WAT +ATOM 13213 H2 TIP3 2301 -7.537 4.636 -27.407 1.00 0.00 WAT +ATOM 13214 OH2 TIP3 2302 -6.454 1.952 -26.138 1.00 0.00 WAT +ATOM 13215 H1 TIP3 2302 -7.242 1.390 -26.315 1.00 0.00 WAT +ATOM 13216 H2 TIP3 2302 -5.743 1.282 -26.152 1.00 0.00 WAT +ATOM 13217 OH2 TIP3 2303 -8.815 -2.234 -43.239 1.00 0.00 WAT +ATOM 13218 H1 TIP3 2303 -8.228 -2.684 -42.619 1.00 0.00 WAT +ATOM 13219 H2 TIP3 2303 -9.635 -2.760 -43.203 1.00 0.00 WAT +ATOM 13220 OH2 TIP3 2304 -8.817 -0.615 -38.362 1.00 0.00 WAT +ATOM 13221 H1 TIP3 2304 -8.554 -1.559 -38.286 1.00 0.00 WAT +ATOM 13222 H2 TIP3 2304 -8.001 -0.234 -38.726 1.00 0.00 WAT +ATOM 13223 OH2 TIP3 2305 -8.507 -0.030 -32.889 1.00 0.00 WAT +ATOM 13224 H1 TIP3 2305 -7.533 0.064 -32.899 1.00 0.00 WAT +ATOM 13225 H2 TIP3 2305 -8.663 -0.009 -31.927 1.00 0.00 WAT +ATOM 13226 OH2 TIP3 2306 -8.355 0.656 -30.096 1.00 0.00 WAT +ATOM 13227 H1 TIP3 2306 -9.197 1.038 -29.784 1.00 0.00 WAT +ATOM 13228 H2 TIP3 2306 -7.822 1.455 -30.264 1.00 0.00 WAT +ATOM 13229 OH2 TIP3 2307 -23.806 -0.551 -26.424 1.00 0.00 WAT +ATOM 13230 H1 TIP3 2307 -22.901 -0.883 -26.299 1.00 0.00 WAT +ATOM 13231 H2 TIP3 2307 -24.338 -1.342 -26.243 1.00 0.00 WAT +ATOM 13232 OH2 TIP3 2308 -5.713 -5.234 -24.763 1.00 0.00 WAT +ATOM 13233 H1 TIP3 2308 -5.385 -5.880 -25.413 1.00 0.00 WAT +ATOM 13234 H2 TIP3 2308 -5.754 -4.412 -25.292 1.00 0.00 WAT +ATOM 13235 OH2 TIP3 2309 -8.291 -3.379 -38.312 1.00 0.00 WAT +ATOM 13236 H1 TIP3 2309 -8.164 -3.739 -37.416 1.00 0.00 WAT +ATOM 13237 H2 TIP3 2309 -9.055 -3.907 -38.623 1.00 0.00 WAT +ATOM 13238 OH2 TIP3 2310 -23.066 -2.236 -33.649 1.00 0.00 WAT +ATOM 13239 H1 TIP3 2310 -22.635 -3.092 -33.496 1.00 0.00 WAT +ATOM 13240 H2 TIP3 2310 -22.422 -1.631 -33.235 1.00 0.00 WAT +ATOM 13241 OH2 TIP3 2311 -24.513 0.428 -32.535 1.00 0.00 WAT +ATOM 13242 H1 TIP3 2311 -23.974 0.433 -33.339 1.00 0.00 WAT +ATOM 13243 H2 TIP3 2311 -24.189 1.214 -32.077 1.00 0.00 WAT +ATOM 13244 OH2 TIP3 2312 -6.408 -3.163 -26.522 1.00 0.00 WAT +ATOM 13245 H1 TIP3 2312 -7.271 -2.719 -26.431 1.00 0.00 WAT +ATOM 13246 H2 TIP3 2312 -6.557 -3.680 -27.332 1.00 0.00 WAT +ATOM 13247 OH2 TIP3 2313 -6.270 -2.991 -41.759 1.00 0.00 WAT +ATOM 13248 H1 TIP3 2313 -6.000 -3.710 -42.339 1.00 0.00 WAT +ATOM 13249 H2 TIP3 2313 -5.445 -2.482 -41.682 1.00 0.00 WAT +ATOM 13250 OH2 TIP3 2314 -24.043 -3.245 -38.539 1.00 0.00 WAT +ATOM 13251 H1 TIP3 2314 -25.002 -3.197 -38.704 1.00 0.00 WAT +ATOM 13252 H2 TIP3 2314 -23.677 -2.622 -39.196 1.00 0.00 WAT +ATOM 13253 OH2 TIP3 2315 -9.422 12.013 -36.408 1.00 0.00 WAT +ATOM 13254 H1 TIP3 2315 -8.955 11.772 -37.226 1.00 0.00 WAT +ATOM 13255 H2 TIP3 2315 -8.710 12.399 -35.885 1.00 0.00 WAT +ATOM 13256 OH2 TIP3 2316 -24.035 -4.407 -30.383 1.00 0.00 WAT +ATOM 13257 H1 TIP3 2316 -24.716 -4.543 -29.703 1.00 0.00 WAT +ATOM 13258 H2 TIP3 2316 -24.508 -3.811 -30.995 1.00 0.00 WAT +ATOM 13259 OH2 TIP3 2317 -22.021 8.891 -25.623 1.00 0.00 WAT +ATOM 13260 H1 TIP3 2317 -22.665 8.674 -26.312 1.00 0.00 WAT +ATOM 13261 H2 TIP3 2317 -22.493 8.624 -24.821 1.00 0.00 WAT +ATOM 13262 OH2 TIP3 2318 -19.179 9.752 -29.995 1.00 0.00 WAT +ATOM 13263 H1 TIP3 2318 -19.461 10.615 -30.344 1.00 0.00 WAT +ATOM 13264 H2 TIP3 2318 -18.220 9.807 -30.176 1.00 0.00 WAT +ATOM 13265 OH2 TIP3 2319 -12.874 12.269 -27.481 1.00 0.00 WAT +ATOM 13266 H1 TIP3 2319 -12.437 11.638 -28.087 1.00 0.00 WAT +ATOM 13267 H2 TIP3 2319 -12.100 12.587 -26.986 1.00 0.00 WAT +ATOM 13268 OH2 TIP3 2320 -7.527 -4.899 -28.568 1.00 0.00 WAT +ATOM 13269 H1 TIP3 2320 -8.345 -4.714 -29.059 1.00 0.00 WAT +ATOM 13270 H2 TIP3 2320 -7.315 -5.803 -28.882 1.00 0.00 WAT +ATOM 13271 OH2 TIP3 2321 -21.758 12.699 -29.664 1.00 0.00 WAT +ATOM 13272 H1 TIP3 2321 -22.357 13.318 -30.118 1.00 0.00 WAT +ATOM 13273 H2 TIP3 2321 -22.131 12.709 -28.775 1.00 0.00 WAT +ATOM 13274 OH2 TIP3 2322 -19.198 12.501 -31.025 1.00 0.00 WAT +ATOM 13275 H1 TIP3 2322 -20.068 12.682 -30.619 1.00 0.00 WAT +ATOM 13276 H2 TIP3 2322 -19.163 13.166 -31.737 1.00 0.00 WAT +ATOM 13277 OH2 TIP3 2323 -14.617 12.457 -31.535 1.00 0.00 WAT +ATOM 13278 H1 TIP3 2323 -14.974 12.887 -32.334 1.00 0.00 WAT +ATOM 13279 H2 TIP3 2323 -14.468 13.226 -30.956 1.00 0.00 WAT +ATOM 13280 OH2 TIP3 2324 -12.269 11.293 -30.473 1.00 0.00 WAT +ATOM 13281 H1 TIP3 2324 -13.075 11.543 -30.963 1.00 0.00 WAT +ATOM 13282 H2 TIP3 2324 -11.642 11.975 -30.760 1.00 0.00 WAT +ATOM 13283 OH2 TIP3 2325 -9.723 12.929 -30.461 1.00 0.00 WAT +ATOM 13284 H1 TIP3 2325 -9.720 13.874 -30.713 1.00 0.00 WAT +ATOM 13285 H2 TIP3 2325 -9.402 12.525 -31.285 1.00 0.00 WAT +ATOM 13286 OH2 TIP3 2326 -22.211 11.479 -32.714 1.00 0.00 WAT +ATOM 13287 H1 TIP3 2326 -22.228 10.982 -31.867 1.00 0.00 WAT +ATOM 13288 H2 TIP3 2326 -21.463 11.034 -33.162 1.00 0.00 WAT +ATOM 13289 OH2 TIP3 2327 -20.201 10.242 -34.269 1.00 0.00 WAT +ATOM 13290 H1 TIP3 2327 -20.361 9.307 -34.018 1.00 0.00 WAT +ATOM 13291 H2 TIP3 2327 -19.280 10.371 -33.970 1.00 0.00 WAT +ATOM 13292 OH2 TIP3 2328 -17.433 10.697 -33.398 1.00 0.00 WAT +ATOM 13293 H1 TIP3 2328 -17.253 9.764 -33.620 1.00 0.00 WAT +ATOM 13294 H2 TIP3 2328 -17.385 10.659 -32.430 1.00 0.00 WAT +ATOM 13295 OH2 TIP3 2329 -14.113 -3.408 -34.104 1.00 0.00 WAT +ATOM 13296 H1 TIP3 2329 -14.802 -4.081 -33.942 1.00 0.00 WAT +ATOM 13297 H2 TIP3 2329 -13.505 -3.884 -34.691 1.00 0.00 WAT +ATOM 13298 OH2 TIP3 2330 -9.162 -5.402 -33.633 1.00 0.00 WAT +ATOM 13299 H1 TIP3 2330 -8.403 -4.944 -34.033 1.00 0.00 WAT +ATOM 13300 H2 TIP3 2330 -9.909 -5.086 -34.168 1.00 0.00 WAT +ATOM 13301 OH2 TIP3 2331 -7.091 -4.287 -35.780 1.00 0.00 WAT +ATOM 13302 H1 TIP3 2331 -6.361 -4.705 -36.268 1.00 0.00 WAT +ATOM 13303 H2 TIP3 2331 -6.766 -3.373 -35.666 1.00 0.00 WAT +ATOM 13304 OH2 TIP3 2332 -21.743 -4.688 -36.546 1.00 0.00 WAT +ATOM 13305 H1 TIP3 2332 -22.610 -4.819 -36.977 1.00 0.00 WAT +ATOM 13306 H2 TIP3 2332 -21.334 -5.561 -36.678 1.00 0.00 WAT +ATOM 13307 OH2 TIP3 2333 -22.985 -5.140 -40.817 1.00 0.00 WAT +ATOM 13308 H1 TIP3 2333 -22.391 -4.495 -41.262 1.00 0.00 WAT +ATOM 13309 H2 TIP3 2333 -23.311 -4.613 -40.068 1.00 0.00 WAT +ATOM 13310 OH2 TIP3 2334 -17.285 -4.873 -36.663 1.00 0.00 WAT +ATOM 13311 H1 TIP3 2334 -16.372 -4.566 -36.783 1.00 0.00 WAT +ATOM 13312 H2 TIP3 2334 -17.329 -4.948 -35.701 1.00 0.00 WAT +ATOM 13313 OH2 TIP3 2335 -11.687 -4.830 -35.240 1.00 0.00 WAT +ATOM 13314 H1 TIP3 2335 -11.442 -4.987 -36.162 1.00 0.00 WAT +ATOM 13315 H2 TIP3 2335 -12.078 -5.687 -34.987 1.00 0.00 WAT +ATOM 13316 OH2 TIP3 2336 -10.627 -4.844 -39.217 1.00 0.00 WAT +ATOM 13317 H1 TIP3 2336 -11.425 -4.364 -39.504 1.00 0.00 WAT +ATOM 13318 H2 TIP3 2336 -10.968 -5.755 -39.173 1.00 0.00 WAT +ATOM 13319 OH2 TIP3 2337 -22.896 10.752 -39.626 1.00 0.00 WAT +ATOM 13320 H1 TIP3 2337 -23.589 10.723 -40.309 1.00 0.00 WAT +ATOM 13321 H2 TIP3 2337 -22.876 11.695 -39.428 1.00 0.00 WAT +ATOM 13322 OH2 TIP3 2338 -21.293 -3.429 -42.307 1.00 0.00 WAT +ATOM 13323 H1 TIP3 2338 -20.723 -4.013 -42.823 1.00 0.00 WAT +ATOM 13324 H2 TIP3 2338 -20.637 -2.918 -41.800 1.00 0.00 WAT +ATOM 13325 OH2 TIP3 2339 -16.165 -3.248 -39.599 1.00 0.00 WAT +ATOM 13326 H1 TIP3 2339 -15.779 -3.775 -38.881 1.00 0.00 WAT +ATOM 13327 H2 TIP3 2339 -15.946 -2.358 -39.282 1.00 0.00 WAT +ATOM 13328 OH2 TIP3 2340 -14.103 12.395 -41.469 1.00 0.00 WAT +ATOM 13329 H1 TIP3 2340 -13.126 12.492 -41.515 1.00 0.00 WAT +ATOM 13330 H2 TIP3 2340 -14.230 11.769 -42.206 1.00 0.00 WAT +ATOM 13331 OH2 TIP3 2341 -7.560 11.598 -38.796 1.00 0.00 WAT +ATOM 13332 H1 TIP3 2341 -7.786 10.751 -39.234 1.00 0.00 WAT +ATOM 13333 H2 TIP3 2341 -7.675 12.231 -39.532 1.00 0.00 WAT +ATOM 13334 OH2 TIP3 2342 -21.947 -4.459 -27.039 1.00 0.00 WAT +ATOM 13335 H1 TIP3 2342 -22.378 -5.236 -26.640 1.00 0.00 WAT +ATOM 13336 H2 TIP3 2342 -21.038 -4.572 -26.716 1.00 0.00 WAT +ATOM 13337 OH2 TIP3 2343 -19.566 -5.068 -25.262 1.00 0.00 WAT +ATOM 13338 H1 TIP3 2343 -18.756 -5.443 -25.660 1.00 0.00 WAT +ATOM 13339 H2 TIP3 2343 -19.941 -5.850 -24.827 1.00 0.00 WAT +ATOM 13340 OH2 TIP3 2344 -20.877 11.834 -42.327 1.00 0.00 WAT +ATOM 13341 H1 TIP3 2344 -21.297 12.056 -41.489 1.00 0.00 WAT +ATOM 13342 H2 TIP3 2344 -20.253 11.140 -42.090 1.00 0.00 WAT +ATOM 13343 OH2 TIP3 2345 -11.451 -5.944 -25.109 1.00 0.00 WAT +ATOM 13344 H1 TIP3 2345 -11.445 -6.354 -24.221 1.00 0.00 WAT +ATOM 13345 H2 TIP3 2345 -10.504 -5.977 -25.341 1.00 0.00 WAT +ATOM 13346 OH2 TIP3 2346 -8.102 10.374 -26.408 1.00 0.00 WAT +ATOM 13347 H1 TIP3 2346 -8.837 10.169 -27.013 1.00 0.00 WAT +ATOM 13348 H2 TIP3 2346 -8.273 11.313 -26.223 1.00 0.00 WAT +ATOM 13349 OH2 TIP3 2347 6.113 4.042 -36.269 1.00 0.00 WAT +ATOM 13350 H1 TIP3 2347 6.107 5.008 -36.166 1.00 0.00 WAT +ATOM 13351 H2 TIP3 2347 5.343 3.904 -36.835 1.00 0.00 WAT +ATOM 13352 OH2 TIP3 2348 4.944 3.497 -33.189 1.00 0.00 WAT +ATOM 13353 H1 TIP3 2348 4.948 2.933 -32.398 1.00 0.00 WAT +ATOM 13354 H2 TIP3 2348 4.695 2.860 -33.876 1.00 0.00 WAT +ATOM 13355 OH2 TIP3 2349 -2.563 3.076 -31.531 1.00 0.00 WAT +ATOM 13356 H1 TIP3 2349 -2.586 2.319 -30.916 1.00 0.00 WAT +ATOM 13357 H2 TIP3 2349 -1.864 3.611 -31.125 1.00 0.00 WAT +ATOM 13358 OH2 TIP3 2350 8.630 6.234 -34.877 1.00 0.00 WAT +ATOM 13359 H1 TIP3 2350 8.273 5.506 -34.350 1.00 0.00 WAT +ATOM 13360 H2 TIP3 2350 8.942 6.833 -34.188 1.00 0.00 WAT +ATOM 13361 OH2 TIP3 2351 -1.909 7.719 -33.047 1.00 0.00 WAT +ATOM 13362 H1 TIP3 2351 -2.148 6.797 -33.287 1.00 0.00 WAT +ATOM 13363 H2 TIP3 2351 -0.988 7.584 -32.779 1.00 0.00 WAT +ATOM 13364 OH2 TIP3 2352 -4.895 1.131 -37.655 1.00 0.00 WAT +ATOM 13365 H1 TIP3 2352 -5.325 1.990 -37.517 1.00 0.00 WAT +ATOM 13366 H2 TIP3 2352 -5.613 0.615 -38.044 1.00 0.00 WAT +ATOM 13367 OH2 TIP3 2353 -4.105 3.566 -35.790 1.00 0.00 WAT +ATOM 13368 H1 TIP3 2353 -3.967 2.738 -35.290 1.00 0.00 WAT +ATOM 13369 H2 TIP3 2353 -3.253 3.663 -36.234 1.00 0.00 WAT +ATOM 13370 OH2 TIP3 2354 5.726 11.605 -34.315 1.00 0.00 WAT +ATOM 13371 H1 TIP3 2354 6.288 10.876 -34.641 1.00 0.00 WAT +ATOM 13372 H2 TIP3 2354 5.411 11.251 -33.473 1.00 0.00 WAT +ATOM 13373 OH2 TIP3 2355 3.458 6.012 -32.649 1.00 0.00 WAT +ATOM 13374 H1 TIP3 2355 3.772 5.271 -33.198 1.00 0.00 WAT +ATOM 13375 H2 TIP3 2355 4.262 6.148 -32.113 1.00 0.00 WAT +ATOM 13376 OH2 TIP3 2356 12.113 -2.480 -32.001 1.00 0.00 WAT +ATOM 13377 H1 TIP3 2356 12.360 -1.876 -31.280 1.00 0.00 WAT +ATOM 13378 H2 TIP3 2356 12.733 -2.193 -32.698 1.00 0.00 WAT +ATOM 13379 OH2 TIP3 2357 6.756 0.335 -32.129 1.00 0.00 WAT +ATOM 13380 H1 TIP3 2357 6.877 -0.627 -32.054 1.00 0.00 WAT +ATOM 13381 H2 TIP3 2357 6.658 0.440 -33.088 1.00 0.00 WAT +ATOM 13382 OH2 TIP3 2358 -0.278 -1.660 -35.050 1.00 0.00 WAT +ATOM 13383 H1 TIP3 2358 -0.139 -0.803 -35.497 1.00 0.00 WAT +ATOM 13384 H2 TIP3 2358 -0.646 -2.181 -35.786 1.00 0.00 WAT +ATOM 13385 OH2 TIP3 2359 7.553 -1.502 -36.742 1.00 0.00 WAT +ATOM 13386 H1 TIP3 2359 8.127 -1.937 -36.075 1.00 0.00 WAT +ATOM 13387 H2 TIP3 2359 8.218 -1.066 -37.295 1.00 0.00 WAT +ATOM 13388 OH2 TIP3 2360 -3.582 1.083 -34.542 1.00 0.00 WAT +ATOM 13389 H1 TIP3 2360 -2.963 0.613 -33.957 1.00 0.00 WAT +ATOM 13390 H2 TIP3 2360 -3.496 0.571 -35.365 1.00 0.00 WAT +ATOM 13391 OH2 TIP3 2361 1.800 2.464 -35.090 1.00 0.00 WAT +ATOM 13392 H1 TIP3 2361 2.502 1.916 -34.688 1.00 0.00 WAT +ATOM 13393 H2 TIP3 2361 1.288 1.789 -35.573 1.00 0.00 WAT +ATOM 13394 OH2 TIP3 2362 12.842 -1.115 -29.512 1.00 0.00 WAT +ATOM 13395 H1 TIP3 2362 12.243 -0.395 -29.779 1.00 0.00 WAT +ATOM 13396 H2 TIP3 2362 12.647 -1.167 -28.566 1.00 0.00 WAT +ATOM 13397 OH2 TIP3 2363 -1.485 -2.887 -30.906 1.00 0.00 WAT +ATOM 13398 H1 TIP3 2363 -1.894 -2.352 -31.600 1.00 0.00 WAT +ATOM 13399 H2 TIP3 2363 -2.130 -2.756 -30.178 1.00 0.00 WAT +ATOM 13400 OH2 TIP3 2364 5.980 6.875 -37.472 1.00 0.00 WAT +ATOM 13401 H1 TIP3 2364 5.729 6.675 -38.379 1.00 0.00 WAT +ATOM 13402 H2 TIP3 2364 5.552 7.734 -37.316 1.00 0.00 WAT +ATOM 13403 OH2 TIP3 2365 1.458 5.024 -30.772 1.00 0.00 WAT +ATOM 13404 H1 TIP3 2365 0.709 5.602 -30.513 1.00 0.00 WAT +ATOM 13405 H2 TIP3 2365 2.066 5.647 -31.205 1.00 0.00 WAT +ATOM 13406 OH2 TIP3 2366 9.398 -2.244 -34.702 1.00 0.00 WAT +ATOM 13407 H1 TIP3 2366 8.996 -2.836 -34.054 1.00 0.00 WAT +ATOM 13408 H2 TIP3 2366 9.917 -1.650 -34.133 1.00 0.00 WAT +ATOM 13409 OH2 TIP3 2367 -1.883 -0.796 -32.954 1.00 0.00 WAT +ATOM 13410 H1 TIP3 2367 -1.233 -0.243 -32.467 1.00 0.00 WAT +ATOM 13411 H2 TIP3 2367 -1.297 -1.184 -33.640 1.00 0.00 WAT +ATOM 13412 OH2 TIP3 2368 -0.564 6.887 -30.059 1.00 0.00 WAT +ATOM 13413 H1 TIP3 2368 -0.607 7.826 -30.319 1.00 0.00 WAT +ATOM 13414 H2 TIP3 2368 -1.422 6.792 -29.604 1.00 0.00 WAT +ATOM 13415 OH2 TIP3 2369 -4.222 6.593 -39.187 1.00 0.00 WAT +ATOM 13416 H1 TIP3 2369 -4.469 7.027 -40.027 1.00 0.00 WAT +ATOM 13417 H2 TIP3 2369 -4.094 7.338 -38.568 1.00 0.00 WAT +ATOM 13418 OH2 TIP3 2370 9.216 8.052 -32.337 1.00 0.00 WAT +ATOM 13419 H1 TIP3 2370 8.246 8.156 -32.339 1.00 0.00 WAT +ATOM 13420 H2 TIP3 2370 9.488 8.888 -32.754 1.00 0.00 WAT +ATOM 13421 OH2 TIP3 2371 9.527 -3.072 -30.849 1.00 0.00 WAT +ATOM 13422 H1 TIP3 2371 8.753 -2.703 -31.315 1.00 0.00 WAT +ATOM 13423 H2 TIP3 2371 10.250 -2.899 -31.481 1.00 0.00 WAT +ATOM 13424 OH2 TIP3 2372 2.653 -5.373 -33.822 1.00 0.00 WAT +ATOM 13425 H1 TIP3 2372 2.435 -6.323 -33.845 1.00 0.00 WAT +ATOM 13426 H2 TIP3 2372 1.840 -4.993 -33.424 1.00 0.00 WAT +ATOM 13427 OH2 TIP3 2373 7.495 9.981 -35.836 1.00 0.00 WAT +ATOM 13428 H1 TIP3 2373 7.972 9.177 -36.135 1.00 0.00 WAT +ATOM 13429 H2 TIP3 2373 8.196 10.655 -35.923 1.00 0.00 WAT +ATOM 13430 OH2 TIP3 2374 8.918 7.873 -37.167 1.00 0.00 WAT +ATOM 13431 H1 TIP3 2374 8.496 7.389 -37.889 1.00 0.00 WAT +ATOM 13432 H2 TIP3 2374 8.895 7.205 -36.454 1.00 0.00 WAT +ATOM 13433 OH2 TIP3 2375 10.486 6.709 -28.716 1.00 0.00 WAT +ATOM 13434 H1 TIP3 2375 10.390 5.999 -29.379 1.00 0.00 WAT +ATOM 13435 H2 TIP3 2375 10.667 7.484 -29.273 1.00 0.00 WAT +ATOM 13436 OH2 TIP3 2376 4.784 3.521 -39.077 1.00 0.00 WAT +ATOM 13437 H1 TIP3 2376 4.146 4.176 -39.414 1.00 0.00 WAT +ATOM 13438 H2 TIP3 2376 5.546 3.647 -39.666 1.00 0.00 WAT +ATOM 13439 OH2 TIP3 2377 4.743 1.539 -41.962 1.00 0.00 WAT +ATOM 13440 H1 TIP3 2377 5.405 1.849 -41.323 1.00 0.00 WAT +ATOM 13441 H2 TIP3 2377 5.274 0.892 -42.479 1.00 0.00 WAT +ATOM 13442 OH2 TIP3 2378 12.273 2.849 -30.745 1.00 0.00 WAT +ATOM 13443 H1 TIP3 2378 11.538 3.488 -30.663 1.00 0.00 WAT +ATOM 13444 H2 TIP3 2378 12.731 3.186 -31.539 1.00 0.00 WAT +ATOM 13445 OH2 TIP3 2379 8.271 3.562 -37.937 1.00 0.00 WAT +ATOM 13446 H1 TIP3 2379 7.589 3.763 -37.257 1.00 0.00 WAT +ATOM 13447 H2 TIP3 2379 8.877 2.995 -37.424 1.00 0.00 WAT +ATOM 13448 OH2 TIP3 2380 8.123 2.080 -29.098 1.00 0.00 WAT +ATOM 13449 H1 TIP3 2380 8.164 2.891 -28.564 1.00 0.00 WAT +ATOM 13450 H2 TIP3 2380 7.452 2.362 -29.746 1.00 0.00 WAT +ATOM 13451 OH2 TIP3 2381 -0.124 4.339 -36.169 1.00 0.00 WAT +ATOM 13452 H1 TIP3 2381 -0.419 3.880 -36.977 1.00 0.00 WAT +ATOM 13453 H2 TIP3 2381 0.514 3.702 -35.799 1.00 0.00 WAT +ATOM 13454 OH2 TIP3 2382 1.256 7.769 -33.435 1.00 0.00 WAT +ATOM 13455 H1 TIP3 2382 1.120 7.334 -34.287 1.00 0.00 WAT +ATOM 13456 H2 TIP3 2382 2.030 7.283 -33.090 1.00 0.00 WAT +ATOM 13457 OH2 TIP3 2383 0.435 3.183 -32.696 1.00 0.00 WAT +ATOM 13458 H1 TIP3 2383 1.051 3.182 -33.452 1.00 0.00 WAT +ATOM 13459 H2 TIP3 2383 0.856 3.802 -32.071 1.00 0.00 WAT +ATOM 13460 OH2 TIP3 2384 6.410 8.733 -32.048 1.00 0.00 WAT +ATOM 13461 H1 TIP3 2384 6.424 9.331 -31.284 1.00 0.00 WAT +ATOM 13462 H2 TIP3 2384 6.174 7.875 -31.653 1.00 0.00 WAT +ATOM 13463 OH2 TIP3 2385 1.319 7.524 -27.884 1.00 0.00 WAT +ATOM 13464 H1 TIP3 2385 0.780 8.115 -27.331 1.00 0.00 WAT +ATOM 13465 H2 TIP3 2385 0.657 7.200 -28.524 1.00 0.00 WAT +ATOM 13466 OH2 TIP3 2386 7.319 3.077 -40.555 1.00 0.00 WAT +ATOM 13467 H1 TIP3 2386 7.774 3.296 -39.715 1.00 0.00 WAT +ATOM 13468 H2 TIP3 2386 7.938 3.461 -41.208 1.00 0.00 WAT +ATOM 13469 OH2 TIP3 2387 -1.790 3.938 -28.762 1.00 0.00 WAT +ATOM 13470 H1 TIP3 2387 -1.719 4.407 -27.914 1.00 0.00 WAT +ATOM 13471 H2 TIP3 2387 -2.732 3.696 -28.775 1.00 0.00 WAT +ATOM 13472 OH2 TIP3 2388 4.640 9.609 -36.941 1.00 0.00 WAT +ATOM 13473 H1 TIP3 2388 5.173 9.867 -36.179 1.00 0.00 WAT +ATOM 13474 H2 TIP3 2388 4.197 10.435 -37.188 1.00 0.00 WAT +ATOM 13475 OH2 TIP3 2389 -0.615 9.672 -27.007 1.00 0.00 WAT +ATOM 13476 H1 TIP3 2389 -0.728 9.666 -27.973 1.00 0.00 WAT +ATOM 13477 H2 TIP3 2389 -1.488 9.384 -26.677 1.00 0.00 WAT +ATOM 13478 OH2 TIP3 2390 10.777 -5.338 -40.749 1.00 0.00 WAT +ATOM 13479 H1 TIP3 2390 9.824 -5.232 -40.568 1.00 0.00 WAT +ATOM 13480 H2 TIP3 2390 11.019 -4.439 -41.019 1.00 0.00 WAT +ATOM 13481 OH2 TIP3 2391 -1.170 3.057 -38.676 1.00 0.00 WAT +ATOM 13482 H1 TIP3 2391 -1.449 3.833 -39.190 1.00 0.00 WAT +ATOM 13483 H2 TIP3 2391 -1.887 2.432 -38.846 1.00 0.00 WAT +ATOM 13484 OH2 TIP3 2392 11.798 8.844 -42.361 1.00 0.00 WAT +ATOM 13485 H1 TIP3 2392 12.086 9.756 -42.220 1.00 0.00 WAT +ATOM 13486 H2 TIP3 2392 12.637 8.356 -42.423 1.00 0.00 WAT +ATOM 13487 OH2 TIP3 2393 -5.166 5.750 -29.898 1.00 0.00 WAT +ATOM 13488 H1 TIP3 2393 -5.594 5.713 -30.775 1.00 0.00 WAT +ATOM 13489 H2 TIP3 2393 -5.004 4.805 -29.713 1.00 0.00 WAT +ATOM 13490 OH2 TIP3 2394 -5.091 8.701 -32.969 1.00 0.00 WAT +ATOM 13491 H1 TIP3 2394 -4.179 8.374 -32.927 1.00 0.00 WAT +ATOM 13492 H2 TIP3 2394 -5.125 9.268 -32.186 1.00 0.00 WAT +ATOM 13493 OH2 TIP3 2395 13.247 9.302 -27.189 1.00 0.00 WAT +ATOM 13494 H1 TIP3 2395 13.163 8.344 -27.353 1.00 0.00 WAT +ATOM 13495 H2 TIP3 2395 12.347 9.512 -26.867 1.00 0.00 WAT +ATOM 13496 OH2 TIP3 2396 3.925 8.565 -28.386 1.00 0.00 WAT +ATOM 13497 H1 TIP3 2396 3.972 9.380 -27.868 1.00 0.00 WAT +ATOM 13498 H2 TIP3 2396 3.032 8.228 -28.154 1.00 0.00 WAT +ATOM 13499 OH2 TIP3 2397 4.269 12.318 -38.458 1.00 0.00 WAT +ATOM 13500 H1 TIP3 2397 4.196 12.423 -39.422 1.00 0.00 WAT +ATOM 13501 H2 TIP3 2397 4.293 13.236 -38.145 1.00 0.00 WAT +ATOM 13502 OH2 TIP3 2398 -1.977 11.467 -36.795 1.00 0.00 WAT +ATOM 13503 H1 TIP3 2398 -1.815 11.014 -35.942 1.00 0.00 WAT +ATOM 13504 H2 TIP3 2398 -2.810 11.054 -37.064 1.00 0.00 WAT +ATOM 13505 OH2 TIP3 2399 7.335 12.058 -41.027 1.00 0.00 WAT +ATOM 13506 H1 TIP3 2399 7.819 11.625 -41.738 1.00 0.00 WAT +ATOM 13507 H2 TIP3 2399 7.428 11.429 -40.279 1.00 0.00 WAT +ATOM 13508 OH2 TIP3 2400 6.961 11.029 -38.504 1.00 0.00 WAT +ATOM 13509 H1 TIP3 2400 6.042 11.282 -38.318 1.00 0.00 WAT +ATOM 13510 H2 TIP3 2400 7.142 10.425 -37.763 1.00 0.00 WAT +ATOM 13511 OH2 TIP3 2401 10.070 0.653 -26.820 1.00 0.00 WAT +ATOM 13512 H1 TIP3 2401 9.517 1.046 -27.509 1.00 0.00 WAT +ATOM 13513 H2 TIP3 2401 10.085 -0.285 -27.087 1.00 0.00 WAT +ATOM 13514 OH2 TIP3 2402 -2.972 7.316 -28.632 1.00 0.00 WAT +ATOM 13515 H1 TIP3 2402 -2.669 6.832 -27.835 1.00 0.00 WAT +ATOM 13516 H2 TIP3 2402 -3.683 6.746 -28.974 1.00 0.00 WAT +ATOM 13517 OH2 TIP3 2403 0.237 -4.229 -32.889 1.00 0.00 WAT +ATOM 13518 H1 TIP3 2403 -0.600 -4.295 -33.384 1.00 0.00 WAT +ATOM 13519 H2 TIP3 2403 0.009 -3.515 -32.272 1.00 0.00 WAT +ATOM 13520 OH2 TIP3 2404 4.633 -4.656 -29.245 1.00 0.00 WAT +ATOM 13521 H1 TIP3 2404 5.119 -5.195 -28.590 1.00 0.00 WAT +ATOM 13522 H2 TIP3 2404 3.709 -4.950 -29.127 1.00 0.00 WAT +ATOM 13523 OH2 TIP3 2405 7.680 -0.884 -28.669 1.00 0.00 WAT +ATOM 13524 H1 TIP3 2405 7.166 -0.969 -27.851 1.00 0.00 WAT +ATOM 13525 H2 TIP3 2405 7.666 0.075 -28.837 1.00 0.00 WAT +ATOM 13526 OH2 TIP3 2406 9.491 3.843 -42.472 1.00 0.00 WAT +ATOM 13527 H1 TIP3 2406 9.163 3.586 -43.344 1.00 0.00 WAT +ATOM 13528 H2 TIP3 2406 9.897 4.693 -42.687 1.00 0.00 WAT +ATOM 13529 OH2 TIP3 2407 4.422 -2.251 -42.163 1.00 0.00 WAT +ATOM 13530 H1 TIP3 2407 3.903 -2.249 -41.348 1.00 0.00 WAT +ATOM 13531 H2 TIP3 2407 3.994 -2.963 -42.653 1.00 0.00 WAT +ATOM 13532 OH2 TIP3 2408 0.068 0.564 -31.481 1.00 0.00 WAT +ATOM 13533 H1 TIP3 2408 -0.452 0.668 -30.665 1.00 0.00 WAT +ATOM 13534 H2 TIP3 2408 0.142 1.487 -31.799 1.00 0.00 WAT +ATOM 13535 OH2 TIP3 2409 0.027 0.655 -36.607 1.00 0.00 WAT +ATOM 13536 H1 TIP3 2409 -0.928 0.517 -36.757 1.00 0.00 WAT +ATOM 13537 H2 TIP3 2409 0.380 0.426 -37.487 1.00 0.00 WAT +ATOM 13538 OH2 TIP3 2410 5.717 1.175 -37.856 1.00 0.00 WAT +ATOM 13539 H1 TIP3 2410 5.314 2.001 -38.196 1.00 0.00 WAT +ATOM 13540 H2 TIP3 2410 6.370 0.977 -38.550 1.00 0.00 WAT +ATOM 13541 OH2 TIP3 2411 4.695 1.290 -26.201 1.00 0.00 WAT +ATOM 13542 H1 TIP3 2411 4.243 0.504 -25.874 1.00 0.00 WAT +ATOM 13543 H2 TIP3 2411 5.588 1.162 -25.814 1.00 0.00 WAT +ATOM 13544 OH2 TIP3 2412 6.500 0.590 -35.055 1.00 0.00 WAT +ATOM 13545 H1 TIP3 2412 6.227 1.158 -35.802 1.00 0.00 WAT +ATOM 13546 H2 TIP3 2412 6.718 -0.225 -35.551 1.00 0.00 WAT +ATOM 13547 OH2 TIP3 2413 -2.579 0.753 -29.619 1.00 0.00 WAT +ATOM 13548 H1 TIP3 2413 -2.240 1.005 -28.751 1.00 0.00 WAT +ATOM 13549 H2 TIP3 2413 -2.885 -0.155 -29.441 1.00 0.00 WAT +ATOM 13550 OH2 TIP3 2414 1.203 -1.789 -43.111 1.00 0.00 WAT +ATOM 13551 H1 TIP3 2414 0.858 -2.130 -42.264 1.00 0.00 WAT +ATOM 13552 H2 TIP3 2414 0.404 -1.370 -43.483 1.00 0.00 WAT +ATOM 13553 OH2 TIP3 2415 -5.692 -1.776 -36.023 1.00 0.00 WAT +ATOM 13554 H1 TIP3 2415 -5.102 -1.839 -35.248 1.00 0.00 WAT +ATOM 13555 H2 TIP3 2415 -5.198 -2.220 -36.727 1.00 0.00 WAT +ATOM 13556 OH2 TIP3 2416 -4.149 -1.377 -40.396 1.00 0.00 WAT +ATOM 13557 H1 TIP3 2416 -3.587 -0.883 -41.022 1.00 0.00 WAT +ATOM 13558 H2 TIP3 2416 -4.823 -0.711 -40.167 1.00 0.00 WAT +ATOM 13559 OH2 TIP3 2417 5.611 2.274 -30.572 1.00 0.00 WAT +ATOM 13560 H1 TIP3 2417 6.044 1.549 -31.080 1.00 0.00 WAT +ATOM 13561 H2 TIP3 2417 5.230 1.774 -29.832 1.00 0.00 WAT +ATOM 13562 OH2 TIP3 2418 2.802 -1.766 -35.576 1.00 0.00 WAT +ATOM 13563 H1 TIP3 2418 1.864 -1.826 -35.331 1.00 0.00 WAT +ATOM 13564 H2 TIP3 2418 3.236 -1.972 -34.729 1.00 0.00 WAT +ATOM 13565 OH2 TIP3 2419 -2.596 -0.538 -36.926 1.00 0.00 WAT +ATOM 13566 H1 TIP3 2419 -3.442 -0.297 -37.343 1.00 0.00 WAT +ATOM 13567 H2 TIP3 2419 -2.335 -1.350 -37.399 1.00 0.00 WAT +ATOM 13568 OH2 TIP3 2420 0.988 -0.181 -39.262 1.00 0.00 WAT +ATOM 13569 H1 TIP3 2420 1.954 -0.161 -39.116 1.00 0.00 WAT +ATOM 13570 H2 TIP3 2420 0.829 0.533 -39.890 1.00 0.00 WAT +ATOM 13571 OH2 TIP3 2421 7.203 -2.641 -32.566 1.00 0.00 WAT +ATOM 13572 H1 TIP3 2421 6.570 -2.634 -31.813 1.00 0.00 WAT +ATOM 13573 H2 TIP3 2421 6.616 -2.970 -33.268 1.00 0.00 WAT +ATOM 13574 OH2 TIP3 2422 -0.514 1.134 -41.746 1.00 0.00 WAT +ATOM 13575 H1 TIP3 2422 -1.070 0.439 -42.137 1.00 0.00 WAT +ATOM 13576 H2 TIP3 2422 0.344 0.982 -42.154 1.00 0.00 WAT +ATOM 13577 OH2 TIP3 2423 -1.863 5.822 -26.442 1.00 0.00 WAT +ATOM 13578 H1 TIP3 2423 -1.207 5.839 -25.713 1.00 0.00 WAT +ATOM 13579 H2 TIP3 2423 -2.683 5.721 -25.920 1.00 0.00 WAT +ATOM 13580 OH2 TIP3 2424 3.821 0.773 -33.747 1.00 0.00 WAT +ATOM 13581 H1 TIP3 2424 4.557 0.330 -34.196 1.00 0.00 WAT +ATOM 13582 H2 TIP3 2424 3.647 0.167 -32.998 1.00 0.00 WAT +ATOM 13583 OH2 TIP3 2425 -0.867 -2.817 -37.668 1.00 0.00 WAT +ATOM 13584 H1 TIP3 2425 -1.417 -3.591 -37.461 1.00 0.00 WAT +ATOM 13585 H2 TIP3 2425 -0.021 -3.224 -37.909 1.00 0.00 WAT +ATOM 13586 OH2 TIP3 2426 2.800 -0.764 -31.515 1.00 0.00 WAT +ATOM 13587 H1 TIP3 2426 2.012 -0.199 -31.465 1.00 0.00 WAT +ATOM 13588 H2 TIP3 2426 3.298 -0.526 -30.708 1.00 0.00 WAT +ATOM 13589 OH2 TIP3 2427 2.946 5.620 -39.609 1.00 0.00 WAT +ATOM 13590 H1 TIP3 2427 2.184 5.092 -39.929 1.00 0.00 WAT +ATOM 13591 H2 TIP3 2427 2.764 5.677 -38.640 1.00 0.00 WAT +ATOM 13592 OH2 TIP3 2428 10.161 4.789 -30.864 1.00 0.00 WAT +ATOM 13593 H1 TIP3 2428 10.654 5.319 -31.526 1.00 0.00 WAT +ATOM 13594 H2 TIP3 2428 9.306 4.659 -31.317 1.00 0.00 WAT +ATOM 13595 OH2 TIP3 2429 7.095 -1.681 -41.719 1.00 0.00 WAT +ATOM 13596 H1 TIP3 2429 6.128 -1.618 -41.853 1.00 0.00 WAT +ATOM 13597 H2 TIP3 2429 7.330 -0.864 -41.239 1.00 0.00 WAT +ATOM 13598 OH2 TIP3 2430 4.650 5.688 -28.288 1.00 0.00 WAT +ATOM 13599 H1 TIP3 2430 4.305 5.245 -27.497 1.00 0.00 WAT +ATOM 13600 H2 TIP3 2430 4.232 6.560 -28.237 1.00 0.00 WAT +ATOM 13601 OH2 TIP3 2431 7.697 0.276 -39.863 1.00 0.00 WAT +ATOM 13602 H1 TIP3 2431 8.562 0.062 -39.461 1.00 0.00 WAT +ATOM 13603 H2 TIP3 2431 7.876 1.127 -40.299 1.00 0.00 WAT +ATOM 13604 OH2 TIP3 2432 -1.932 5.010 -33.788 1.00 0.00 WAT +ATOM 13605 H1 TIP3 2432 -1.351 4.888 -34.557 1.00 0.00 WAT +ATOM 13606 H2 TIP3 2432 -1.824 4.164 -33.322 1.00 0.00 WAT +ATOM 13607 OH2 TIP3 2433 5.399 6.968 -40.488 1.00 0.00 WAT +ATOM 13608 H1 TIP3 2433 5.075 7.860 -40.243 1.00 0.00 WAT +ATOM 13609 H2 TIP3 2433 4.613 6.427 -40.278 1.00 0.00 WAT +ATOM 13610 OH2 TIP3 2434 -4.664 3.292 -28.493 1.00 0.00 WAT +ATOM 13611 H1 TIP3 2434 -4.491 2.835 -27.645 1.00 0.00 WAT +ATOM 13612 H2 TIP3 2434 -5.272 2.680 -28.940 1.00 0.00 WAT +ATOM 13613 OH2 TIP3 2435 2.213 2.951 -26.392 1.00 0.00 WAT +ATOM 13614 H1 TIP3 2435 1.741 2.411 -27.040 1.00 0.00 WAT +ATOM 13615 H2 TIP3 2435 2.988 2.395 -26.203 1.00 0.00 WAT +ATOM 13616 OH2 TIP3 2436 6.915 8.426 -28.808 1.00 0.00 WAT +ATOM 13617 H1 TIP3 2436 5.959 8.300 -28.926 1.00 0.00 WAT +ATOM 13618 H2 TIP3 2436 7.003 8.402 -27.844 1.00 0.00 WAT +ATOM 13619 OH2 TIP3 2437 12.414 0.345 -39.976 1.00 0.00 WAT +ATOM 13620 H1 TIP3 2437 11.799 0.143 -40.710 1.00 0.00 WAT +ATOM 13621 H2 TIP3 2437 12.539 1.291 -40.173 1.00 0.00 WAT +ATOM 13622 OH2 TIP3 2438 12.842 6.358 -27.241 1.00 0.00 WAT +ATOM 13623 H1 TIP3 2438 11.893 6.527 -27.417 1.00 0.00 WAT +ATOM 13624 H2 TIP3 2438 13.157 6.123 -28.137 1.00 0.00 WAT +ATOM 13625 OH2 TIP3 2439 10.619 8.903 -39.879 1.00 0.00 WAT +ATOM 13626 H1 TIP3 2439 10.400 8.078 -39.425 1.00 0.00 WAT +ATOM 13627 H2 TIP3 2439 10.962 8.588 -40.739 1.00 0.00 WAT +ATOM 13628 OH2 TIP3 2440 7.815 4.225 -32.579 1.00 0.00 WAT +ATOM 13629 H1 TIP3 2440 6.883 4.043 -32.802 1.00 0.00 WAT +ATOM 13630 H2 TIP3 2440 8.258 3.491 -33.050 1.00 0.00 WAT +ATOM 13631 OH2 TIP3 2441 0.450 8.287 -36.562 1.00 0.00 WAT +ATOM 13632 H1 TIP3 2441 0.871 9.157 -36.649 1.00 0.00 WAT +ATOM 13633 H2 TIP3 2441 -0.475 8.494 -36.743 1.00 0.00 WAT +ATOM 13634 OH2 TIP3 2442 -3.477 3.233 -42.029 1.00 0.00 WAT +ATOM 13635 H1 TIP3 2442 -2.940 3.852 -41.500 1.00 0.00 WAT +ATOM 13636 H2 TIP3 2442 -4.378 3.400 -41.683 1.00 0.00 WAT +ATOM 13637 OH2 TIP3 2443 2.274 5.991 -36.938 1.00 0.00 WAT +ATOM 13638 H1 TIP3 2443 1.972 6.896 -36.753 1.00 0.00 WAT +ATOM 13639 H2 TIP3 2443 1.599 5.471 -36.474 1.00 0.00 WAT +ATOM 13640 OH2 TIP3 2444 2.449 10.255 -30.533 1.00 0.00 WAT +ATOM 13641 H1 TIP3 2444 3.027 10.972 -30.846 1.00 0.00 WAT +ATOM 13642 H2 TIP3 2444 3.065 9.727 -30.000 1.00 0.00 WAT +ATOM 13643 OH2 TIP3 2445 0.888 11.185 -37.313 1.00 0.00 WAT +ATOM 13644 H1 TIP3 2445 -0.070 11.334 -37.251 1.00 0.00 WAT +ATOM 13645 H2 TIP3 2445 1.234 12.068 -37.085 1.00 0.00 WAT +ATOM 13646 OH2 TIP3 2446 5.878 6.032 -30.958 1.00 0.00 WAT +ATOM 13647 H1 TIP3 2446 5.554 5.704 -30.098 1.00 0.00 WAT +ATOM 13648 H2 TIP3 2446 6.585 5.396 -31.158 1.00 0.00 WAT +ATOM 13649 OH2 TIP3 2447 7.842 7.205 -42.101 1.00 0.00 WAT +ATOM 13650 H1 TIP3 2447 8.524 6.985 -41.443 1.00 0.00 WAT +ATOM 13651 H2 TIP3 2447 7.064 7.144 -41.525 1.00 0.00 WAT +ATOM 13652 OH2 TIP3 2448 8.617 10.988 -28.232 1.00 0.00 WAT +ATOM 13653 H1 TIP3 2448 7.957 10.343 -28.566 1.00 0.00 WAT +ATOM 13654 H2 TIP3 2448 8.798 11.482 -29.057 1.00 0.00 WAT +ATOM 13655 OH2 TIP3 2449 12.938 11.745 -41.582 1.00 0.00 WAT +ATOM 13656 H1 TIP3 2449 13.634 12.431 -41.498 1.00 0.00 WAT +ATOM 13657 H2 TIP3 2449 12.146 12.269 -41.364 1.00 0.00 WAT +ATOM 13658 OH2 TIP3 2450 -3.339 -2.073 -28.964 1.00 0.00 WAT +ATOM 13659 H1 TIP3 2450 -4.259 -1.800 -29.139 1.00 0.00 WAT +ATOM 13660 H2 TIP3 2450 -3.472 -2.891 -28.450 1.00 0.00 WAT +ATOM 13661 OH2 TIP3 2451 8.998 5.921 -39.655 1.00 0.00 WAT +ATOM 13662 H1 TIP3 2451 8.734 5.186 -39.073 1.00 0.00 WAT +ATOM 13663 H2 TIP3 2451 9.970 5.856 -39.612 1.00 0.00 WAT +ATOM 13664 OH2 TIP3 2452 -3.591 9.685 -30.501 1.00 0.00 WAT +ATOM 13665 H1 TIP3 2452 -3.304 8.773 -30.342 1.00 0.00 WAT +ATOM 13666 H2 TIP3 2452 -3.363 10.084 -29.653 1.00 0.00 WAT +ATOM 13667 OH2 TIP3 2453 2.393 8.281 -43.384 1.00 0.00 WAT +ATOM 13668 H1 TIP3 2453 3.051 7.574 -43.500 1.00 0.00 WAT +ATOM 13669 H2 TIP3 2453 2.040 8.080 -42.492 1.00 0.00 WAT +ATOM 13670 OH2 TIP3 2454 1.092 7.840 -40.828 1.00 0.00 WAT +ATOM 13671 H1 TIP3 2454 1.561 7.325 -40.151 1.00 0.00 WAT +ATOM 13672 H2 TIP3 2454 1.247 8.758 -40.519 1.00 0.00 WAT +ATOM 13673 OH2 TIP3 2455 -2.081 5.267 -40.408 1.00 0.00 WAT +ATOM 13674 H1 TIP3 2455 -2.847 5.618 -39.904 1.00 0.00 WAT +ATOM 13675 H2 TIP3 2455 -1.607 6.093 -40.586 1.00 0.00 WAT +ATOM 13676 OH2 TIP3 2456 5.638 -2.253 -30.387 1.00 0.00 WAT +ATOM 13677 H1 TIP3 2456 6.225 -1.940 -29.681 1.00 0.00 WAT +ATOM 13678 H2 TIP3 2456 5.140 -2.975 -29.955 1.00 0.00 WAT +ATOM 13679 OH2 TIP3 2457 6.171 -2.660 -39.199 1.00 0.00 WAT +ATOM 13680 H1 TIP3 2457 6.526 -2.243 -40.006 1.00 0.00 WAT +ATOM 13681 H2 TIP3 2457 6.735 -2.275 -38.511 1.00 0.00 WAT +ATOM 13682 OH2 TIP3 2458 3.994 9.436 -40.312 1.00 0.00 WAT +ATOM 13683 H1 TIP3 2458 3.221 9.957 -40.033 1.00 0.00 WAT +ATOM 13684 H2 TIP3 2458 4.538 10.120 -40.722 1.00 0.00 WAT +ATOM 13685 OH2 TIP3 2459 3.607 -0.728 -38.152 1.00 0.00 WAT +ATOM 13686 H1 TIP3 2459 4.432 -0.217 -38.019 1.00 0.00 WAT +ATOM 13687 H2 TIP3 2459 3.368 -0.951 -37.232 1.00 0.00 WAT +ATOM 13688 OH2 TIP3 2460 4.136 0.179 -29.005 1.00 0.00 WAT +ATOM 13689 H1 TIP3 2460 4.021 0.661 -28.170 1.00 0.00 WAT +ATOM 13690 H2 TIP3 2460 4.557 -0.633 -28.692 1.00 0.00 WAT +ATOM 13691 OH2 TIP3 2461 4.283 -3.752 -37.254 1.00 0.00 WAT +ATOM 13692 H1 TIP3 2461 4.105 -3.091 -36.560 1.00 0.00 WAT +ATOM 13693 H2 TIP3 2461 5.006 -3.317 -37.750 1.00 0.00 WAT +ATOM 13694 OH2 TIP3 2462 1.287 10.609 -40.244 1.00 0.00 WAT +ATOM 13695 H1 TIP3 2462 1.196 11.445 -40.748 1.00 0.00 WAT +ATOM 13696 H2 TIP3 2462 1.082 10.908 -39.340 1.00 0.00 WAT +ATOM 13697 OH2 TIP3 2463 0.004 -2.683 -40.814 1.00 0.00 WAT +ATOM 13698 H1 TIP3 2463 -0.066 -2.010 -40.116 1.00 0.00 WAT +ATOM 13699 H2 TIP3 2463 0.738 -3.226 -40.467 1.00 0.00 WAT +ATOM 13700 OH2 TIP3 2464 10.270 -1.856 -28.114 1.00 0.00 WAT +ATOM 13701 H1 TIP3 2464 9.310 -1.755 -28.265 1.00 0.00 WAT +ATOM 13702 H2 TIP3 2464 10.534 -2.098 -29.015 1.00 0.00 WAT +ATOM 13703 OH2 TIP3 2465 8.816 1.970 -34.082 1.00 0.00 WAT +ATOM 13704 H1 TIP3 2465 7.997 1.513 -34.349 1.00 0.00 WAT +ATOM 13705 H2 TIP3 2465 9.302 1.258 -33.610 1.00 0.00 WAT +ATOM 13706 OH2 TIP3 2466 -1.716 8.224 -41.593 1.00 0.00 WAT +ATOM 13707 H1 TIP3 2466 -0.938 8.618 -41.167 1.00 0.00 WAT +ATOM 13708 H2 TIP3 2466 -1.308 7.725 -42.310 1.00 0.00 WAT +ATOM 13709 OH2 TIP3 2467 -3.386 0.386 -42.594 1.00 0.00 WAT +ATOM 13710 H1 TIP3 2467 -3.279 1.333 -42.377 1.00 0.00 WAT +ATOM 13711 H2 TIP3 2467 -4.315 0.353 -42.885 1.00 0.00 WAT +ATOM 13712 OH2 TIP3 2468 9.823 10.834 -32.713 1.00 0.00 WAT +ATOM 13713 H1 TIP3 2468 9.675 11.655 -33.221 1.00 0.00 WAT +ATOM 13714 H2 TIP3 2468 10.749 10.953 -32.456 1.00 0.00 WAT +ATOM 13715 OH2 TIP3 2469 -2.545 -4.674 -33.712 1.00 0.00 WAT +ATOM 13716 H1 TIP3 2469 -2.740 -4.702 -34.669 1.00 0.00 WAT +ATOM 13717 H2 TIP3 2469 -2.887 -5.530 -33.394 1.00 0.00 WAT +ATOM 13718 OH2 TIP3 2470 -3.657 8.866 -37.450 1.00 0.00 WAT +ATOM 13719 H1 TIP3 2470 -4.467 9.355 -37.256 1.00 0.00 WAT +ATOM 13720 H2 TIP3 2470 -3.305 9.362 -38.204 1.00 0.00 WAT +ATOM 13721 OH2 TIP3 2471 -4.272 11.732 -26.270 1.00 0.00 WAT +ATOM 13722 H1 TIP3 2471 -3.667 11.432 -25.564 1.00 0.00 WAT +ATOM 13723 H2 TIP3 2471 -4.635 10.876 -26.574 1.00 0.00 WAT +ATOM 13724 OH2 TIP3 2472 0.424 10.787 -24.484 1.00 0.00 WAT +ATOM 13725 H1 TIP3 2472 1.105 10.132 -24.268 1.00 0.00 WAT +ATOM 13726 H2 TIP3 2472 0.198 10.525 -25.392 1.00 0.00 WAT +ATOM 13727 OH2 TIP3 2473 4.699 10.129 -43.305 1.00 0.00 WAT +ATOM 13728 H1 TIP3 2473 3.872 9.622 -43.250 1.00 0.00 WAT +ATOM 13729 H2 TIP3 2473 5.311 9.443 -43.628 1.00 0.00 WAT +ATOM 13730 OH2 TIP3 2474 6.903 9.080 -25.865 1.00 0.00 WAT +ATOM 13731 H1 TIP3 2474 6.482 8.259 -25.540 1.00 0.00 WAT +ATOM 13732 H2 TIP3 2474 7.620 9.195 -25.214 1.00 0.00 WAT +ATOM 13733 OH2 TIP3 2475 6.812 8.195 42.163 1.00 0.00 WAT +ATOM 13734 H1 TIP3 2475 6.997 7.603 42.898 1.00 0.00 WAT +ATOM 13735 H2 TIP3 2475 7.701 8.249 41.776 1.00 0.00 WAT +ATOM 13736 OH2 TIP3 2476 -4.326 5.474 -25.224 1.00 0.00 WAT +ATOM 13737 H1 TIP3 2476 -4.245 4.516 -25.377 1.00 0.00 WAT +ATOM 13738 H2 TIP3 2476 -5.053 5.711 -25.835 1.00 0.00 WAT +ATOM 13739 OH2 TIP3 2477 0.088 5.118 -43.532 1.00 0.00 WAT +ATOM 13740 H1 TIP3 2477 0.087 5.048 -42.562 1.00 0.00 WAT +ATOM 13741 H2 TIP3 2477 0.684 5.874 -43.684 1.00 0.00 WAT +ATOM 13742 OH2 TIP3 2478 2.345 5.603 -25.836 1.00 0.00 WAT +ATOM 13743 H1 TIP3 2478 2.004 5.818 -26.716 1.00 0.00 WAT +ATOM 13744 H2 TIP3 2478 2.422 4.620 -25.899 1.00 0.00 WAT +ATOM 13745 OH2 TIP3 2479 4.942 6.828 -43.130 1.00 0.00 WAT +ATOM 13746 H1 TIP3 2479 5.224 7.015 -42.211 1.00 0.00 WAT +ATOM 13747 H2 TIP3 2479 5.704 6.326 -43.457 1.00 0.00 WAT +ATOM 13748 OH2 TIP3 2480 7.702 5.139 -28.438 1.00 0.00 WAT +ATOM 13749 H1 TIP3 2480 8.463 5.707 -28.628 1.00 0.00 WAT +ATOM 13750 H2 TIP3 2480 6.965 5.768 -28.436 1.00 0.00 WAT +ATOM 13751 OH2 TIP3 2481 -3.394 2.502 -25.984 1.00 0.00 WAT +ATOM 13752 H1 TIP3 2481 -2.714 1.803 -25.957 1.00 0.00 WAT +ATOM 13753 H2 TIP3 2481 -3.466 2.707 -25.038 1.00 0.00 WAT +ATOM 13754 OH2 TIP3 2482 0.992 3.905 -40.841 1.00 0.00 WAT +ATOM 13755 H1 TIP3 2482 0.368 3.414 -40.283 1.00 0.00 WAT +ATOM 13756 H2 TIP3 2482 1.221 3.244 -41.513 1.00 0.00 WAT +ATOM 13757 OH2 TIP3 2483 0.241 1.638 -28.544 1.00 0.00 WAT +ATOM 13758 H1 TIP3 2483 -0.280 2.422 -28.303 1.00 0.00 WAT +ATOM 13759 H2 TIP3 2483 0.950 2.021 -29.093 1.00 0.00 WAT +ATOM 13760 OH2 TIP3 2484 2.053 2.148 -43.177 1.00 0.00 WAT +ATOM 13761 H1 TIP3 2484 2.398 1.628 -43.935 1.00 0.00 WAT +ATOM 13762 H2 TIP3 2484 2.837 2.053 -42.597 1.00 0.00 WAT +ATOM 13763 OH2 TIP3 2485 5.527 4.310 -25.014 1.00 0.00 WAT +ATOM 13764 H1 TIP3 2485 6.425 4.083 -25.296 1.00 0.00 WAT +ATOM 13765 H2 TIP3 2485 5.247 3.480 -24.611 1.00 0.00 WAT +ATOM 13766 OH2 TIP3 2486 1.036 -0.989 -27.228 1.00 0.00 WAT +ATOM 13767 H1 TIP3 2486 1.025 -1.676 -27.909 1.00 0.00 WAT +ATOM 13768 H2 TIP3 2486 0.798 -0.192 -27.723 1.00 0.00 WAT +ATOM 13769 OH2 TIP3 2487 1.117 -2.618 -29.929 1.00 0.00 WAT +ATOM 13770 H1 TIP3 2487 1.619 -2.063 -30.551 1.00 0.00 WAT +ATOM 13771 H2 TIP3 2487 0.200 -2.567 -30.269 1.00 0.00 WAT +ATOM 13772 OH2 TIP3 2488 2.664 2.824 -29.577 1.00 0.00 WAT +ATOM 13773 H1 TIP3 2488 3.526 2.751 -30.009 1.00 0.00 WAT +ATOM 13774 H2 TIP3 2488 2.382 3.720 -29.842 1.00 0.00 WAT +ATOM 13775 OH2 TIP3 2489 7.198 0.733 -24.841 1.00 0.00 WAT +ATOM 13776 H1 TIP3 2489 7.427 -0.183 -24.646 1.00 0.00 WAT +ATOM 13777 H2 TIP3 2489 8.046 1.183 -24.707 1.00 0.00 WAT +ATOM 13778 OH2 TIP3 2490 8.240 3.546 -26.268 1.00 0.00 WAT +ATOM 13779 H1 TIP3 2490 7.887 4.136 -26.965 1.00 0.00 WAT +ATOM 13780 H2 TIP3 2490 9.129 3.374 -26.631 1.00 0.00 WAT +ATOM 13781 OH2 TIP3 2491 -0.862 0.785 -25.589 1.00 0.00 WAT +ATOM 13782 H1 TIP3 2491 -1.373 0.019 -25.287 1.00 0.00 WAT +ATOM 13783 H2 TIP3 2491 -0.002 0.374 -25.771 1.00 0.00 WAT +ATOM 13784 OH2 TIP3 2492 1.897 -5.252 -29.644 1.00 0.00 WAT +ATOM 13785 H1 TIP3 2492 1.675 -4.300 -29.748 1.00 0.00 WAT +ATOM 13786 H2 TIP3 2492 1.165 -5.670 -30.132 1.00 0.00 WAT +ATOM 13787 OH2 TIP3 2493 5.356 -1.667 -26.739 1.00 0.00 WAT +ATOM 13788 H1 TIP3 2493 4.485 -1.992 -26.464 1.00 0.00 WAT +ATOM 13789 H2 TIP3 2493 5.948 -2.266 -26.251 1.00 0.00 WAT +ATOM 13790 OH2 TIP3 2494 7.504 -3.079 -25.211 1.00 0.00 WAT +ATOM 13791 H1 TIP3 2494 7.352 -4.037 -25.091 1.00 0.00 WAT +ATOM 13792 H2 TIP3 2494 7.341 -2.710 -24.323 1.00 0.00 WAT +ATOM 13793 OH2 TIP3 2495 -2.480 -1.845 -25.735 1.00 0.00 WAT +ATOM 13794 H1 TIP3 2495 -2.417 -2.600 -26.335 1.00 0.00 WAT +ATOM 13795 H2 TIP3 2495 -2.557 -2.282 -24.867 1.00 0.00 WAT +ATOM 13796 OH2 TIP3 2496 1.736 -5.904 -26.732 1.00 0.00 WAT +ATOM 13797 H1 TIP3 2496 2.395 -6.619 -26.676 1.00 0.00 WAT +ATOM 13798 H2 TIP3 2496 1.777 -5.673 -27.677 1.00 0.00 WAT +ATOM 13799 OH2 TIP3 2497 2.743 -3.667 -25.334 1.00 0.00 WAT +ATOM 13800 H1 TIP3 2497 2.382 -4.514 -25.653 1.00 0.00 WAT +ATOM 13801 H2 TIP3 2497 1.955 -3.200 -25.049 1.00 0.00 WAT +ATOM 13802 OH2 TIP3 2498 1.797 13.140 -41.720 1.00 0.00 WAT +ATOM 13803 H1 TIP3 2498 2.757 13.248 -41.636 1.00 0.00 WAT +ATOM 13804 H2 TIP3 2498 1.558 13.730 -42.451 1.00 0.00 WAT +ATOM 13805 OH2 TIP3 2499 -4.390 7.164 -41.971 1.00 0.00 WAT +ATOM 13806 H1 TIP3 2499 -3.495 7.547 -41.970 1.00 0.00 WAT +ATOM 13807 H2 TIP3 2499 -4.416 6.654 -42.792 1.00 0.00 WAT +ATOM 13808 OH2 TIP3 2500 -5.393 12.729 -37.167 1.00 0.00 WAT +ATOM 13809 H1 TIP3 2500 -6.069 12.343 -37.758 1.00 0.00 WAT +ATOM 13810 H2 TIP3 2500 -5.294 12.023 -36.497 1.00 0.00 WAT +ATOM 13811 OH2 TIP3 2501 -4.995 10.732 -35.195 1.00 0.00 WAT +ATOM 13812 H1 TIP3 2501 -5.274 9.852 -34.893 1.00 0.00 WAT +ATOM 13813 H2 TIP3 2501 -4.630 11.073 -34.364 1.00 0.00 WAT +ATOM 13814 OH2 TIP3 2502 12.551 12.053 -32.187 1.00 0.00 WAT +ATOM 13815 H1 TIP3 2502 12.750 11.960 -31.246 1.00 0.00 WAT +ATOM 13816 H2 TIP3 2502 13.420 12.264 -32.556 1.00 0.00 WAT +ATOM 13817 OH2 TIP3 2503 12.435 11.482 -29.267 1.00 0.00 WAT +ATOM 13818 H1 TIP3 2503 11.921 10.751 -29.662 1.00 0.00 WAT +ATOM 13819 H2 TIP3 2503 13.033 10.975 -28.693 1.00 0.00 WAT +ATOM 13820 OH2 TIP3 2504 10.484 6.836 -25.051 1.00 0.00 WAT +ATOM 13821 H1 TIP3 2504 9.622 6.798 -24.606 1.00 0.00 WAT +ATOM 13822 H2 TIP3 2504 10.919 7.595 -24.634 1.00 0.00 WAT +ATOM 13823 OH2 TIP3 2505 11.831 5.705 -39.292 1.00 0.00 WAT +ATOM 13824 H1 TIP3 2505 12.735 6.060 -39.186 1.00 0.00 WAT +ATOM 13825 H2 TIP3 2505 11.815 5.060 -38.559 1.00 0.00 WAT +ATOM 13826 OH2 TIP3 2506 12.302 3.721 -37.308 1.00 0.00 WAT +ATOM 13827 H1 TIP3 2506 11.642 3.145 -36.874 1.00 0.00 WAT +ATOM 13828 H2 TIP3 2506 12.992 3.832 -36.626 1.00 0.00 WAT +ATOM 13829 OH2 TIP3 2507 12.040 6.234 -32.344 1.00 0.00 WAT +ATOM 13830 H1 TIP3 2507 12.650 5.713 -32.892 1.00 0.00 WAT +ATOM 13831 H2 TIP3 2507 12.197 7.136 -32.670 1.00 0.00 WAT +ATOM 13832 OH2 TIP3 2508 10.645 9.265 -30.051 1.00 0.00 WAT +ATOM 13833 H1 TIP3 2508 9.857 9.423 -29.520 1.00 0.00 WAT +ATOM 13834 H2 TIP3 2508 10.257 8.857 -30.852 1.00 0.00 WAT +ATOM 13835 OH2 TIP3 2509 12.575 3.365 -41.059 1.00 0.00 WAT +ATOM 13836 H1 TIP3 2509 11.993 3.674 -41.768 1.00 0.00 WAT +ATOM 13837 H2 TIP3 2509 12.410 4.047 -40.388 1.00 0.00 WAT +ATOM 13838 OH2 TIP3 2510 10.816 0.780 -42.128 1.00 0.00 WAT +ATOM 13839 H1 TIP3 2510 11.128 1.479 -42.722 1.00 0.00 WAT +ATOM 13840 H2 TIP3 2510 11.129 -0.011 -42.578 1.00 0.00 WAT +ATOM 13841 OH2 TIP3 2511 10.231 1.854 -36.503 1.00 0.00 WAT +ATOM 13842 H1 TIP3 2511 10.165 0.899 -36.665 1.00 0.00 WAT +ATOM 13843 H2 TIP3 2511 9.858 1.939 -35.604 1.00 0.00 WAT +ATOM 13844 OH2 TIP3 2512 -4.907 4.094 -32.798 1.00 0.00 WAT +ATOM 13845 H1 TIP3 2512 -4.644 4.124 -33.733 1.00 0.00 WAT +ATOM 13846 H2 TIP3 2512 -4.051 3.855 -32.383 1.00 0.00 WAT +ATOM 13847 OH2 TIP3 2513 10.849 3.804 -27.421 1.00 0.00 WAT +ATOM 13848 H1 TIP3 2513 11.545 3.171 -27.160 1.00 0.00 WAT +ATOM 13849 H2 TIP3 2513 11.319 4.645 -27.414 1.00 0.00 WAT +ATOM 13850 OH2 TIP3 2514 12.385 1.921 -26.163 1.00 0.00 WAT +ATOM 13851 H1 TIP3 2514 11.609 1.363 -26.392 1.00 0.00 WAT +ATOM 13852 H2 TIP3 2514 13.102 1.256 -26.158 1.00 0.00 WAT +ATOM 13853 OH2 TIP3 2515 10.027 -2.196 -43.200 1.00 0.00 WAT +ATOM 13854 H1 TIP3 2515 10.642 -2.693 -42.649 1.00 0.00 WAT +ATOM 13855 H2 TIP3 2515 9.232 -2.764 -43.215 1.00 0.00 WAT +ATOM 13856 OH2 TIP3 2516 10.040 -0.612 -38.361 1.00 0.00 WAT +ATOM 13857 H1 TIP3 2516 10.306 -1.556 -38.291 1.00 0.00 WAT +ATOM 13858 H2 TIP3 2516 10.851 -0.229 -38.734 1.00 0.00 WAT +ATOM 13859 OH2 TIP3 2517 10.347 -0.028 -32.890 1.00 0.00 WAT +ATOM 13860 H1 TIP3 2517 11.322 0.065 -32.908 1.00 0.00 WAT +ATOM 13861 H2 TIP3 2517 10.198 -0.014 -31.928 1.00 0.00 WAT +ATOM 13862 OH2 TIP3 2518 10.494 0.657 -30.083 1.00 0.00 WAT +ATOM 13863 H1 TIP3 2518 9.649 1.052 -29.796 1.00 0.00 WAT +ATOM 13864 H2 TIP3 2518 11.032 1.448 -30.265 1.00 0.00 WAT +ATOM 13865 OH2 TIP3 2519 -4.972 -0.566 -26.434 1.00 0.00 WAT +ATOM 13866 H1 TIP3 2519 -4.039 -0.826 -26.289 1.00 0.00 WAT +ATOM 13867 H2 TIP3 2519 -5.417 -1.418 -26.280 1.00 0.00 WAT +ATOM 13868 OH2 TIP3 2520 13.019 -5.138 -24.682 1.00 0.00 WAT +ATOM 13869 H1 TIP3 2520 13.486 -5.791 -25.232 1.00 0.00 WAT +ATOM 13870 H2 TIP3 2520 13.163 -4.313 -25.180 1.00 0.00 WAT +ATOM 13871 OH2 TIP3 2521 10.557 -3.369 -38.303 1.00 0.00 WAT +ATOM 13872 H1 TIP3 2521 10.688 -3.741 -37.414 1.00 0.00 WAT +ATOM 13873 H2 TIP3 2521 9.810 -3.910 -38.630 1.00 0.00 WAT +ATOM 13874 OH2 TIP3 2522 -4.220 -2.236 -33.617 1.00 0.00 WAT +ATOM 13875 H1 TIP3 2522 -3.775 -3.094 -33.503 1.00 0.00 WAT +ATOM 13876 H2 TIP3 2522 -3.550 -1.636 -33.239 1.00 0.00 WAT +ATOM 13877 OH2 TIP3 2523 -5.689 0.439 -32.569 1.00 0.00 WAT +ATOM 13878 H1 TIP3 2523 -5.094 0.400 -33.334 1.00 0.00 WAT +ATOM 13879 H2 TIP3 2523 -5.316 1.183 -32.079 1.00 0.00 WAT +ATOM 13880 OH2 TIP3 2524 12.480 -3.134 -26.578 1.00 0.00 WAT +ATOM 13881 H1 TIP3 2524 11.598 -2.733 -26.491 1.00 0.00 WAT +ATOM 13882 H2 TIP3 2524 12.330 -3.711 -27.350 1.00 0.00 WAT +ATOM 13883 OH2 TIP3 2525 12.597 -3.003 -41.751 1.00 0.00 WAT +ATOM 13884 H1 TIP3 2525 12.856 -3.699 -42.363 1.00 0.00 WAT +ATOM 13885 H2 TIP3 2525 13.412 -2.474 -41.704 1.00 0.00 WAT +ATOM 13886 OH2 TIP3 2526 -5.188 -3.226 -38.529 1.00 0.00 WAT +ATOM 13887 H1 TIP3 2526 -6.143 -3.196 -38.709 1.00 0.00 WAT +ATOM 13888 H2 TIP3 2526 -4.817 -2.622 -39.200 1.00 0.00 WAT +ATOM 13889 OH2 TIP3 2527 9.431 12.025 -36.416 1.00 0.00 WAT +ATOM 13890 H1 TIP3 2527 9.911 11.745 -37.213 1.00 0.00 WAT +ATOM 13891 H2 TIP3 2527 10.139 12.402 -35.882 1.00 0.00 WAT +ATOM 13892 OH2 TIP3 2528 -5.151 -4.365 -30.376 1.00 0.00 WAT +ATOM 13893 H1 TIP3 2528 -5.826 -4.598 -29.725 1.00 0.00 WAT +ATOM 13894 H2 TIP3 2528 -5.667 -3.828 -31.002 1.00 0.00 WAT +ATOM 13895 OH2 TIP3 2529 -3.156 8.854 -25.660 1.00 0.00 WAT +ATOM 13896 H1 TIP3 2529 -3.852 8.694 -26.312 1.00 0.00 WAT +ATOM 13897 H2 TIP3 2529 -3.603 8.657 -24.827 1.00 0.00 WAT +ATOM 13898 OH2 TIP3 2530 -0.322 9.728 -30.010 1.00 0.00 WAT +ATOM 13899 H1 TIP3 2530 -0.613 10.594 -30.342 1.00 0.00 WAT +ATOM 13900 H2 TIP3 2530 0.640 9.808 -30.170 1.00 0.00 WAT +ATOM 13901 OH2 TIP3 2531 4.551 11.416 -27.023 1.00 0.00 WAT +ATOM 13902 H1 TIP3 2531 4.433 11.006 -26.148 1.00 0.00 WAT +ATOM 13903 H2 TIP3 2531 5.465 11.187 -27.224 1.00 0.00 WAT +ATOM 13904 OH2 TIP3 2532 11.309 -4.912 -28.560 1.00 0.00 WAT +ATOM 13905 H1 TIP3 2532 10.503 -4.727 -29.074 1.00 0.00 WAT +ATOM 13906 H2 TIP3 2532 11.537 -5.808 -28.884 1.00 0.00 WAT +ATOM 13907 OH2 TIP3 2533 -2.929 12.690 -29.666 1.00 0.00 WAT +ATOM 13908 H1 TIP3 2533 -3.522 13.325 -30.105 1.00 0.00 WAT +ATOM 13909 H2 TIP3 2533 -3.272 12.715 -28.765 1.00 0.00 WAT +ATOM 13910 OH2 TIP3 2534 -0.416 12.476 -31.081 1.00 0.00 WAT +ATOM 13911 H1 TIP3 2534 -1.271 12.647 -30.638 1.00 0.00 WAT +ATOM 13912 H2 TIP3 2534 -0.404 13.161 -31.769 1.00 0.00 WAT +ATOM 13913 OH2 TIP3 2535 4.271 12.417 -31.595 1.00 0.00 WAT +ATOM 13914 H1 TIP3 2535 3.891 12.908 -32.346 1.00 0.00 WAT +ATOM 13915 H2 TIP3 2535 4.360 13.117 -30.926 1.00 0.00 WAT +ATOM 13916 OH2 TIP3 2536 6.559 11.274 -30.472 1.00 0.00 WAT +ATOM 13917 H1 TIP3 2536 5.742 11.563 -30.921 1.00 0.00 WAT +ATOM 13918 H2 TIP3 2536 7.162 12.001 -30.676 1.00 0.00 WAT +ATOM 13919 OH2 TIP3 2537 9.151 12.900 -30.460 1.00 0.00 WAT +ATOM 13920 H1 TIP3 2537 9.151 13.851 -30.689 1.00 0.00 WAT +ATOM 13921 H2 TIP3 2537 9.445 12.518 -31.306 1.00 0.00 WAT +ATOM 13922 OH2 TIP3 2538 -3.359 11.481 -32.715 1.00 0.00 WAT +ATOM 13923 H1 TIP3 2538 -3.373 10.990 -31.864 1.00 0.00 WAT +ATOM 13924 H2 TIP3 2538 -2.605 11.042 -33.158 1.00 0.00 WAT +ATOM 13925 OH2 TIP3 2539 -1.344 10.237 -34.273 1.00 0.00 WAT +ATOM 13926 H1 TIP3 2539 -1.501 9.305 -34.010 1.00 0.00 WAT +ATOM 13927 H2 TIP3 2539 -0.428 10.377 -33.965 1.00 0.00 WAT +ATOM 13928 OH2 TIP3 2540 1.421 10.699 -33.396 1.00 0.00 WAT +ATOM 13929 H1 TIP3 2540 1.603 9.766 -33.614 1.00 0.00 WAT +ATOM 13930 H2 TIP3 2540 1.480 10.666 -32.428 1.00 0.00 WAT +ATOM 13931 OH2 TIP3 2541 4.736 -3.403 -34.118 1.00 0.00 WAT +ATOM 13932 H1 TIP3 2541 4.055 -4.082 -33.945 1.00 0.00 WAT +ATOM 13933 H2 TIP3 2541 5.357 -3.886 -34.687 1.00 0.00 WAT +ATOM 13934 OH2 TIP3 2542 9.694 -5.386 -33.622 1.00 0.00 WAT +ATOM 13935 H1 TIP3 2542 10.455 -4.946 -34.040 1.00 0.00 WAT +ATOM 13936 H2 TIP3 2542 8.950 -5.093 -34.173 1.00 0.00 WAT +ATOM 13937 OH2 TIP3 2543 11.773 -4.292 -35.760 1.00 0.00 WAT +ATOM 13938 H1 TIP3 2543 12.489 -4.704 -36.274 1.00 0.00 WAT +ATOM 13939 H2 TIP3 2543 12.094 -3.372 -35.673 1.00 0.00 WAT +ATOM 13940 OH2 TIP3 2544 -2.888 -4.686 -36.550 1.00 0.00 WAT +ATOM 13941 H1 TIP3 2544 -3.756 -4.829 -36.974 1.00 0.00 WAT +ATOM 13942 H2 TIP3 2544 -2.473 -5.560 -36.674 1.00 0.00 WAT +ATOM 13943 OH2 TIP3 2545 -4.144 -5.135 -40.819 1.00 0.00 WAT +ATOM 13944 H1 TIP3 2545 -3.536 -4.501 -41.261 1.00 0.00 WAT +ATOM 13945 H2 TIP3 2545 -4.448 -4.612 -40.059 1.00 0.00 WAT +ATOM 13946 OH2 TIP3 2546 1.554 -4.847 -36.654 1.00 0.00 WAT +ATOM 13947 H1 TIP3 2546 2.474 -4.568 -36.797 1.00 0.00 WAT +ATOM 13948 H2 TIP3 2546 1.544 -4.955 -35.694 1.00 0.00 WAT +ATOM 13949 OH2 TIP3 2547 7.159 -4.828 -35.243 1.00 0.00 WAT +ATOM 13950 H1 TIP3 2547 7.420 -4.984 -36.162 1.00 0.00 WAT +ATOM 13951 H2 TIP3 2547 6.779 -5.691 -34.994 1.00 0.00 WAT +ATOM 13952 OH2 TIP3 2548 8.212 -4.842 -39.195 1.00 0.00 WAT +ATOM 13953 H1 TIP3 2548 7.427 -4.389 -39.543 1.00 0.00 WAT +ATOM 13954 H2 TIP3 2548 7.893 -5.763 -39.163 1.00 0.00 WAT +ATOM 13955 OH2 TIP3 2549 -4.046 10.711 -39.567 1.00 0.00 WAT +ATOM 13956 H1 TIP3 2549 -4.767 10.745 -40.225 1.00 0.00 WAT +ATOM 13957 H2 TIP3 2549 -3.886 11.656 -39.451 1.00 0.00 WAT +ATOM 13958 OH2 TIP3 2550 -2.432 -3.418 -42.300 1.00 0.00 WAT +ATOM 13959 H1 TIP3 2550 -1.880 -4.016 -42.822 1.00 0.00 WAT +ATOM 13960 H2 TIP3 2550 -1.758 -2.937 -41.787 1.00 0.00 WAT +ATOM 13961 OH2 TIP3 2551 2.674 -3.239 -39.591 1.00 0.00 WAT +ATOM 13962 H1 TIP3 2551 3.079 -3.783 -38.897 1.00 0.00 WAT +ATOM 13963 H2 TIP3 2551 2.930 -2.359 -39.274 1.00 0.00 WAT +ATOM 13964 OH2 TIP3 2552 4.634 12.414 -41.461 1.00 0.00 WAT +ATOM 13965 H1 TIP3 2552 5.603 12.543 -41.376 1.00 0.00 WAT +ATOM 13966 H2 TIP3 2552 4.607 11.807 -42.223 1.00 0.00 WAT +ATOM 13967 OH2 TIP3 2553 11.377 11.549 -38.797 1.00 0.00 WAT +ATOM 13968 H1 TIP3 2553 11.106 10.711 -39.230 1.00 0.00 WAT +ATOM 13969 H2 TIP3 2553 11.123 12.209 -39.477 1.00 0.00 WAT +ATOM 13970 OH2 TIP3 2554 -3.186 -4.480 -27.119 1.00 0.00 WAT +ATOM 13971 H1 TIP3 2554 -3.595 -5.254 -26.696 1.00 0.00 WAT +ATOM 13972 H2 TIP3 2554 -2.263 -4.590 -26.824 1.00 0.00 WAT +ATOM 13973 OH2 TIP3 2555 -0.841 -5.167 -25.597 1.00 0.00 WAT +ATOM 13974 H1 TIP3 2555 0.043 -5.454 -25.905 1.00 0.00 WAT +ATOM 13975 H2 TIP3 2555 -0.932 -5.687 -24.786 1.00 0.00 WAT +ATOM 13976 OH2 TIP3 2556 -1.664 11.931 -41.920 1.00 0.00 WAT +ATOM 13977 H1 TIP3 2556 -2.570 12.107 -41.644 1.00 0.00 WAT +ATOM 13978 H2 TIP3 2556 -1.673 11.064 -42.319 1.00 0.00 WAT +ATOM 13979 OH2 TIP3 2557 7.414 -5.918 -25.075 1.00 0.00 WAT +ATOM 13980 H1 TIP3 2557 7.381 -6.292 -24.177 1.00 0.00 WAT +ATOM 13981 H2 TIP3 2557 8.363 -5.980 -25.290 1.00 0.00 WAT +ATOM 13982 OH2 TIP3 2558 10.781 10.515 -26.400 1.00 0.00 WAT +ATOM 13983 H1 TIP3 2558 10.022 10.359 -26.993 1.00 0.00 WAT +ATOM 13984 H2 TIP3 2558 10.936 11.460 -26.480 1.00 0.00 WAT +ATOM 13985 OH2 TIP3 2559 24.972 4.045 -36.277 1.00 0.00 WAT +ATOM 13986 H1 TIP3 2559 24.952 5.010 -36.172 1.00 0.00 WAT +ATOM 13987 H2 TIP3 2559 24.206 3.900 -36.850 1.00 0.00 WAT +ATOM 13988 OH2 TIP3 2560 23.818 3.493 -33.193 1.00 0.00 WAT +ATOM 13989 H1 TIP3 2560 23.808 2.920 -32.410 1.00 0.00 WAT +ATOM 13990 H2 TIP3 2560 23.550 2.873 -33.888 1.00 0.00 WAT +ATOM 13991 OH2 TIP3 2561 16.283 3.077 -31.527 1.00 0.00 WAT +ATOM 13992 H1 TIP3 2561 16.270 2.321 -30.911 1.00 0.00 WAT +ATOM 13993 H2 TIP3 2561 17.001 3.607 -31.152 1.00 0.00 WAT +ATOM 13994 OH2 TIP3 2562 27.507 6.237 -34.882 1.00 0.00 WAT +ATOM 13995 H1 TIP3 2562 27.125 5.515 -34.365 1.00 0.00 WAT +ATOM 13996 H2 TIP3 2562 27.782 6.845 -34.183 1.00 0.00 WAT +ATOM 13997 OH2 TIP3 2563 16.942 7.714 -33.020 1.00 0.00 WAT +ATOM 13998 H1 TIP3 2563 16.710 6.797 -33.284 1.00 0.00 WAT +ATOM 13999 H2 TIP3 2563 17.880 7.586 -32.811 1.00 0.00 WAT +ATOM 14000 OH2 TIP3 2564 13.942 1.115 -37.613 1.00 0.00 WAT +ATOM 14001 H1 TIP3 2564 13.534 1.991 -37.541 1.00 0.00 WAT +ATOM 14002 H2 TIP3 2564 13.255 0.621 -38.082 1.00 0.00 WAT +ATOM 14003 OH2 TIP3 2565 14.756 3.576 -35.766 1.00 0.00 WAT +ATOM 14004 H1 TIP3 2565 14.901 2.729 -35.302 1.00 0.00 WAT +ATOM 14005 H2 TIP3 2565 15.578 3.663 -36.268 1.00 0.00 WAT +ATOM 14006 OH2 TIP3 2566 24.579 11.605 -34.300 1.00 0.00 WAT +ATOM 14007 H1 TIP3 2566 25.139 10.882 -34.643 1.00 0.00 WAT +ATOM 14008 H2 TIP3 2566 24.285 11.240 -33.456 1.00 0.00 WAT +ATOM 14009 OH2 TIP3 2567 22.303 6.004 -32.631 1.00 0.00 WAT +ATOM 14010 H1 TIP3 2567 22.617 5.283 -33.206 1.00 0.00 WAT +ATOM 14011 H2 TIP3 2567 23.119 6.145 -32.113 1.00 0.00 WAT +ATOM 14012 OH2 TIP3 2568 30.973 -2.463 -32.023 1.00 0.00 WAT +ATOM 14013 H1 TIP3 2568 31.239 -1.867 -31.303 1.00 0.00 WAT +ATOM 14014 H2 TIP3 2568 31.616 -2.214 -32.712 1.00 0.00 WAT +ATOM 14015 OH2 TIP3 2569 25.605 0.335 -32.129 1.00 0.00 WAT +ATOM 14016 H1 TIP3 2569 25.743 -0.625 -32.061 1.00 0.00 WAT +ATOM 14017 H2 TIP3 2569 25.513 0.445 -33.089 1.00 0.00 WAT +ATOM 14018 OH2 TIP3 2570 18.574 -1.661 -35.048 1.00 0.00 WAT +ATOM 14019 H1 TIP3 2570 18.719 -0.807 -35.501 1.00 0.00 WAT +ATOM 14020 H2 TIP3 2570 18.216 -2.182 -35.791 1.00 0.00 WAT +ATOM 14021 OH2 TIP3 2571 26.407 -1.500 -36.737 1.00 0.00 WAT +ATOM 14022 H1 TIP3 2571 26.986 -1.934 -36.073 1.00 0.00 WAT +ATOM 14023 H2 TIP3 2571 27.068 -1.069 -37.298 1.00 0.00 WAT +ATOM 14024 OH2 TIP3 2572 15.268 1.077 -34.538 1.00 0.00 WAT +ATOM 14025 H1 TIP3 2572 15.895 0.597 -33.972 1.00 0.00 WAT +ATOM 14026 H2 TIP3 2572 15.350 0.586 -35.375 1.00 0.00 WAT +ATOM 14027 OH2 TIP3 2573 20.645 2.460 -35.077 1.00 0.00 WAT +ATOM 14028 H1 TIP3 2573 21.353 1.909 -34.689 1.00 0.00 WAT +ATOM 14029 H2 TIP3 2573 20.148 1.795 -35.590 1.00 0.00 WAT +ATOM 14030 OH2 TIP3 2574 31.711 -1.093 -29.511 1.00 0.00 WAT +ATOM 14031 H1 TIP3 2574 31.086 -0.400 -29.792 1.00 0.00 WAT +ATOM 14032 H2 TIP3 2574 31.495 -1.155 -28.571 1.00 0.00 WAT +ATOM 14033 OH2 TIP3 2575 17.383 -2.875 -30.896 1.00 0.00 WAT +ATOM 14034 H1 TIP3 2575 16.968 -2.364 -31.606 1.00 0.00 WAT +ATOM 14035 H2 TIP3 2575 16.729 -2.747 -30.177 1.00 0.00 WAT +ATOM 14036 OH2 TIP3 2576 24.882 6.907 -37.505 1.00 0.00 WAT +ATOM 14037 H1 TIP3 2576 24.557 6.658 -38.375 1.00 0.00 WAT +ATOM 14038 H2 TIP3 2576 24.399 7.735 -37.329 1.00 0.00 WAT +ATOM 14039 OH2 TIP3 2577 20.323 5.023 -30.755 1.00 0.00 WAT +ATOM 14040 H1 TIP3 2577 19.576 5.610 -30.515 1.00 0.00 WAT +ATOM 14041 H2 TIP3 2577 20.932 5.631 -31.212 1.00 0.00 WAT +ATOM 14042 OH2 TIP3 2578 28.245 -2.237 -34.700 1.00 0.00 WAT +ATOM 14043 H1 TIP3 2578 27.858 -2.846 -34.057 1.00 0.00 WAT +ATOM 14044 H2 TIP3 2578 28.775 -1.656 -34.129 1.00 0.00 WAT +ATOM 14045 OH2 TIP3 2579 16.976 -0.813 -32.950 1.00 0.00 WAT +ATOM 14046 H1 TIP3 2579 17.629 -0.248 -32.485 1.00 0.00 WAT +ATOM 14047 H2 TIP3 2579 17.547 -1.189 -33.656 1.00 0.00 WAT +ATOM 14048 OH2 TIP3 2580 18.300 6.888 -30.033 1.00 0.00 WAT +ATOM 14049 H1 TIP3 2580 18.252 7.810 -30.344 1.00 0.00 WAT +ATOM 14050 H2 TIP3 2580 17.431 6.806 -29.598 1.00 0.00 WAT +ATOM 14051 OH2 TIP3 2581 14.570 6.593 -39.181 1.00 0.00 WAT +ATOM 14052 H1 TIP3 2581 14.424 7.004 -40.058 1.00 0.00 WAT +ATOM 14053 H2 TIP3 2581 14.752 7.347 -38.592 1.00 0.00 WAT +ATOM 14054 OH2 TIP3 2582 28.062 8.044 -32.371 1.00 0.00 WAT +ATOM 14055 H1 TIP3 2582 27.092 8.147 -32.356 1.00 0.00 WAT +ATOM 14056 H2 TIP3 2582 28.327 8.899 -32.754 1.00 0.00 WAT +ATOM 14057 OH2 TIP3 2583 28.399 -3.059 -30.848 1.00 0.00 WAT +ATOM 14058 H1 TIP3 2583 27.620 -2.698 -31.311 1.00 0.00 WAT +ATOM 14059 H2 TIP3 2583 29.115 -2.901 -31.491 1.00 0.00 WAT +ATOM 14060 OH2 TIP3 2584 21.516 -5.373 -33.809 1.00 0.00 WAT +ATOM 14061 H1 TIP3 2584 21.294 -6.321 -33.847 1.00 0.00 WAT +ATOM 14062 H2 TIP3 2584 20.698 -4.993 -33.425 1.00 0.00 WAT +ATOM 14063 OH2 TIP3 2585 26.354 9.978 -35.801 1.00 0.00 WAT +ATOM 14064 H1 TIP3 2585 26.821 9.182 -36.125 1.00 0.00 WAT +ATOM 14065 H2 TIP3 2585 27.029 10.668 -35.943 1.00 0.00 WAT +ATOM 14066 OH2 TIP3 2586 27.811 7.855 -37.201 1.00 0.00 WAT +ATOM 14067 H1 TIP3 2586 27.305 7.386 -37.880 1.00 0.00 WAT +ATOM 14068 H2 TIP3 2586 27.761 7.216 -36.463 1.00 0.00 WAT +ATOM 14069 OH2 TIP3 2587 29.360 6.674 -28.710 1.00 0.00 WAT +ATOM 14070 H1 TIP3 2587 29.245 6.011 -29.417 1.00 0.00 WAT +ATOM 14071 H2 TIP3 2587 29.480 7.495 -29.219 1.00 0.00 WAT +ATOM 14072 OH2 TIP3 2588 23.655 3.557 -39.041 1.00 0.00 WAT +ATOM 14073 H1 TIP3 2588 22.975 4.153 -39.407 1.00 0.00 WAT +ATOM 14074 H2 TIP3 2588 24.362 3.629 -39.700 1.00 0.00 WAT +ATOM 14075 OH2 TIP3 2589 23.830 1.784 -42.057 1.00 0.00 WAT +ATOM 14076 H1 TIP3 2589 24.519 2.097 -41.447 1.00 0.00 WAT +ATOM 14077 H2 TIP3 2589 24.363 1.178 -42.618 1.00 0.00 WAT +ATOM 14078 OH2 TIP3 2590 31.120 2.848 -30.757 1.00 0.00 WAT +ATOM 14079 H1 TIP3 2590 30.385 3.487 -30.681 1.00 0.00 WAT +ATOM 14080 H2 TIP3 2590 31.581 3.183 -31.550 1.00 0.00 WAT +ATOM 14081 OH2 TIP3 2591 27.139 3.578 -37.938 1.00 0.00 WAT +ATOM 14082 H1 TIP3 2591 26.438 3.774 -37.274 1.00 0.00 WAT +ATOM 14083 H2 TIP3 2591 27.716 2.988 -37.420 1.00 0.00 WAT +ATOM 14084 OH2 TIP3 2592 26.973 2.107 -29.097 1.00 0.00 WAT +ATOM 14085 H1 TIP3 2592 27.015 2.930 -28.583 1.00 0.00 WAT +ATOM 14086 H2 TIP3 2592 26.310 2.377 -29.758 1.00 0.00 WAT +ATOM 14087 OH2 TIP3 2593 18.719 4.341 -36.156 1.00 0.00 WAT +ATOM 14088 H1 TIP3 2593 18.406 3.912 -36.977 1.00 0.00 WAT +ATOM 14089 H2 TIP3 2593 19.366 3.693 -35.826 1.00 0.00 WAT +ATOM 14090 OH2 TIP3 2594 20.092 7.752 -33.419 1.00 0.00 WAT +ATOM 14091 H1 TIP3 2594 19.971 7.357 -34.294 1.00 0.00 WAT +ATOM 14092 H2 TIP3 2594 20.881 7.275 -33.097 1.00 0.00 WAT +ATOM 14093 OH2 TIP3 2595 19.304 3.151 -32.668 1.00 0.00 WAT +ATOM 14094 H1 TIP3 2595 19.875 3.168 -33.460 1.00 0.00 WAT +ATOM 14095 H2 TIP3 2595 19.721 3.810 -32.085 1.00 0.00 WAT +ATOM 14096 OH2 TIP3 2596 25.251 8.669 -32.088 1.00 0.00 WAT +ATOM 14097 H1 TIP3 2596 25.282 9.323 -31.370 1.00 0.00 WAT +ATOM 14098 H2 TIP3 2596 25.025 7.840 -31.629 1.00 0.00 WAT +ATOM 14099 OH2 TIP3 2597 20.153 7.483 -27.835 1.00 0.00 WAT +ATOM 14100 H1 TIP3 2597 19.619 8.144 -27.361 1.00 0.00 WAT +ATOM 14101 H2 TIP3 2597 19.524 7.189 -28.523 1.00 0.00 WAT +ATOM 14102 OH2 TIP3 2598 26.205 3.033 -40.569 1.00 0.00 WAT +ATOM 14103 H1 TIP3 2598 26.629 3.284 -39.722 1.00 0.00 WAT +ATOM 14104 H2 TIP3 2598 26.803 3.456 -41.213 1.00 0.00 WAT +ATOM 14105 OH2 TIP3 2599 17.077 3.904 -28.735 1.00 0.00 WAT +ATOM 14106 H1 TIP3 2599 17.125 4.427 -27.917 1.00 0.00 WAT +ATOM 14107 H2 TIP3 2599 16.126 3.705 -28.784 1.00 0.00 WAT +ATOM 14108 OH2 TIP3 2600 23.529 9.614 -36.941 1.00 0.00 WAT +ATOM 14109 H1 TIP3 2600 24.038 9.895 -36.171 1.00 0.00 WAT +ATOM 14110 H2 TIP3 2600 23.065 10.422 -37.206 1.00 0.00 WAT +ATOM 14111 OH2 TIP3 2601 18.248 9.666 -27.010 1.00 0.00 WAT +ATOM 14112 H1 TIP3 2601 18.140 9.687 -27.977 1.00 0.00 WAT +ATOM 14113 H2 TIP3 2601 17.368 9.383 -26.695 1.00 0.00 WAT +ATOM 14114 OH2 TIP3 2602 29.635 -5.329 -40.751 1.00 0.00 WAT +ATOM 14115 H1 TIP3 2602 28.684 -5.232 -40.557 1.00 0.00 WAT +ATOM 14116 H2 TIP3 2602 29.868 -4.427 -41.015 1.00 0.00 WAT +ATOM 14117 OH2 TIP3 2603 17.631 3.093 -38.604 1.00 0.00 WAT +ATOM 14118 H1 TIP3 2603 17.423 3.838 -39.199 1.00 0.00 WAT +ATOM 14119 H2 TIP3 2603 16.990 2.430 -38.892 1.00 0.00 WAT +ATOM 14120 OH2 TIP3 2604 30.716 9.026 -42.531 1.00 0.00 WAT +ATOM 14121 H1 TIP3 2604 30.984 9.815 -42.037 1.00 0.00 WAT +ATOM 14122 H2 TIP3 2604 31.418 8.377 -42.353 1.00 0.00 WAT +ATOM 14123 OH2 TIP3 2605 13.691 5.752 -29.895 1.00 0.00 WAT +ATOM 14124 H1 TIP3 2605 13.264 5.733 -30.773 1.00 0.00 WAT +ATOM 14125 H2 TIP3 2605 13.847 4.803 -29.730 1.00 0.00 WAT +ATOM 14126 OH2 TIP3 2606 13.761 8.697 -32.960 1.00 0.00 WAT +ATOM 14127 H1 TIP3 2606 14.673 8.368 -32.940 1.00 0.00 WAT +ATOM 14128 H2 TIP3 2606 13.752 9.278 -32.187 1.00 0.00 WAT +ATOM 14129 OH2 TIP3 2607 32.140 9.290 -27.206 1.00 0.00 WAT +ATOM 14130 H1 TIP3 2607 32.033 8.336 -27.375 1.00 0.00 WAT +ATOM 14131 H2 TIP3 2607 31.234 9.524 -26.906 1.00 0.00 WAT +ATOM 14132 OH2 TIP3 2608 22.789 8.519 -28.395 1.00 0.00 WAT +ATOM 14133 H1 TIP3 2608 22.859 9.343 -27.875 1.00 0.00 WAT +ATOM 14134 H2 TIP3 2608 21.885 8.218 -28.173 1.00 0.00 WAT +ATOM 14135 OH2 TIP3 2609 23.077 12.325 -38.456 1.00 0.00 WAT +ATOM 14136 H1 TIP3 2609 23.089 12.394 -39.427 1.00 0.00 WAT +ATOM 14137 H2 TIP3 2609 23.162 13.247 -38.170 1.00 0.00 WAT +ATOM 14138 OH2 TIP3 2610 16.858 11.483 -36.790 1.00 0.00 WAT +ATOM 14139 H1 TIP3 2610 17.048 11.023 -35.947 1.00 0.00 WAT +ATOM 14140 H2 TIP3 2610 16.054 11.019 -37.065 1.00 0.00 WAT +ATOM 14141 OH2 TIP3 2611 26.412 11.913 -41.433 1.00 0.00 WAT +ATOM 14142 H1 TIP3 2611 26.827 11.322 -42.098 1.00 0.00 WAT +ATOM 14143 H2 TIP3 2611 26.387 11.329 -40.662 1.00 0.00 WAT +ATOM 14144 OH2 TIP3 2612 25.830 11.242 -38.574 1.00 0.00 WAT +ATOM 14145 H1 TIP3 2612 24.875 11.347 -38.428 1.00 0.00 WAT +ATOM 14146 H2 TIP3 2612 26.021 10.500 -37.980 1.00 0.00 WAT +ATOM 14147 OH2 TIP3 2613 28.942 0.664 -26.794 1.00 0.00 WAT +ATOM 14148 H1 TIP3 2613 28.408 1.035 -27.509 1.00 0.00 WAT +ATOM 14149 H2 TIP3 2613 28.977 -0.278 -27.048 1.00 0.00 WAT +ATOM 14150 OH2 TIP3 2614 15.874 7.325 -28.631 1.00 0.00 WAT +ATOM 14151 H1 TIP3 2614 16.175 6.832 -27.839 1.00 0.00 WAT +ATOM 14152 H2 TIP3 2614 15.162 6.759 -28.981 1.00 0.00 WAT +ATOM 14153 OH2 TIP3 2615 19.097 -4.229 -32.889 1.00 0.00 WAT +ATOM 14154 H1 TIP3 2615 18.272 -4.290 -33.403 1.00 0.00 WAT +ATOM 14155 H2 TIP3 2615 18.867 -3.499 -32.292 1.00 0.00 WAT +ATOM 14156 OH2 TIP3 2616 23.490 -4.681 -29.236 1.00 0.00 WAT +ATOM 14157 H1 TIP3 2616 23.998 -5.204 -28.587 1.00 0.00 WAT +ATOM 14158 H2 TIP3 2616 22.576 -4.996 -29.104 1.00 0.00 WAT +ATOM 14159 OH2 TIP3 2617 26.625 -0.851 -28.719 1.00 0.00 WAT +ATOM 14160 H1 TIP3 2617 26.015 -1.018 -27.977 1.00 0.00 WAT +ATOM 14161 H2 TIP3 2617 26.543 0.106 -28.866 1.00 0.00 WAT +ATOM 14162 OH2 TIP3 2618 28.476 3.835 -42.512 1.00 0.00 WAT +ATOM 14163 H1 TIP3 2618 27.942 3.661 -43.304 1.00 0.00 WAT +ATOM 14164 H2 TIP3 2618 28.737 4.747 -42.697 1.00 0.00 WAT +ATOM 14165 OH2 TIP3 2619 23.291 -2.255 -42.160 1.00 0.00 WAT +ATOM 14166 H1 TIP3 2619 22.733 -2.221 -41.373 1.00 0.00 WAT +ATOM 14167 H2 TIP3 2619 22.847 -2.942 -42.673 1.00 0.00 WAT +ATOM 14168 OH2 TIP3 2620 18.951 0.559 -31.486 1.00 0.00 WAT +ATOM 14169 H1 TIP3 2620 18.383 0.671 -30.706 1.00 0.00 WAT +ATOM 14170 H2 TIP3 2620 19.018 1.474 -31.833 1.00 0.00 WAT +ATOM 14171 OH2 TIP3 2621 18.897 0.639 -36.604 1.00 0.00 WAT +ATOM 14172 H1 TIP3 2621 17.941 0.536 -36.769 1.00 0.00 WAT +ATOM 14173 H2 TIP3 2621 19.249 0.443 -37.497 1.00 0.00 WAT +ATOM 14174 OH2 TIP3 2622 24.577 1.185 -37.852 1.00 0.00 WAT +ATOM 14175 H1 TIP3 2622 24.167 2.008 -38.193 1.00 0.00 WAT +ATOM 14176 H2 TIP3 2622 25.209 0.977 -38.563 1.00 0.00 WAT +ATOM 14177 OH2 TIP3 2623 23.686 1.414 -26.457 1.00 0.00 WAT +ATOM 14178 H1 TIP3 2623 23.182 0.651 -26.106 1.00 0.00 WAT +ATOM 14179 H2 TIP3 2623 24.563 1.269 -26.053 1.00 0.00 WAT +ATOM 14180 OH2 TIP3 2624 25.359 0.591 -35.057 1.00 0.00 WAT +ATOM 14181 H1 TIP3 2624 25.081 1.158 -35.803 1.00 0.00 WAT +ATOM 14182 H2 TIP3 2624 25.575 -0.224 -35.554 1.00 0.00 WAT +ATOM 14183 OH2 TIP3 2625 16.275 0.739 -29.633 1.00 0.00 WAT +ATOM 14184 H1 TIP3 2625 16.597 1.003 -28.762 1.00 0.00 WAT +ATOM 14185 H2 TIP3 2625 15.948 -0.160 -29.450 1.00 0.00 WAT +ATOM 14186 OH2 TIP3 2626 20.024 -1.885 -43.139 1.00 0.00 WAT +ATOM 14187 H1 TIP3 2626 19.664 -2.136 -42.267 1.00 0.00 WAT +ATOM 14188 H2 TIP3 2626 19.284 -1.354 -43.490 1.00 0.00 WAT +ATOM 14189 OH2 TIP3 2627 13.135 -1.810 -36.000 1.00 0.00 WAT +ATOM 14190 H1 TIP3 2627 13.759 -1.840 -35.252 1.00 0.00 WAT +ATOM 14191 H2 TIP3 2627 13.639 -2.190 -36.736 1.00 0.00 WAT +ATOM 14192 OH2 TIP3 2628 14.720 -1.371 -40.372 1.00 0.00 WAT +ATOM 14193 H1 TIP3 2628 15.271 -0.891 -41.024 1.00 0.00 WAT +ATOM 14194 H2 TIP3 2628 14.040 -0.704 -40.177 1.00 0.00 WAT +ATOM 14195 OH2 TIP3 2629 24.468 2.273 -30.572 1.00 0.00 WAT +ATOM 14196 H1 TIP3 2629 24.897 1.551 -31.087 1.00 0.00 WAT +ATOM 14197 H2 TIP3 2629 24.113 1.779 -29.818 1.00 0.00 WAT +ATOM 14198 OH2 TIP3 2630 21.664 -1.776 -35.570 1.00 0.00 WAT +ATOM 14199 H1 TIP3 2630 20.720 -1.815 -35.345 1.00 0.00 WAT +ATOM 14200 H2 TIP3 2630 22.078 -1.973 -34.712 1.00 0.00 WAT +ATOM 14201 OH2 TIP3 2631 16.228 -0.557 -36.890 1.00 0.00 WAT +ATOM 14202 H1 TIP3 2631 15.416 -0.285 -37.355 1.00 0.00 WAT +ATOM 14203 H2 TIP3 2631 16.524 -1.338 -37.394 1.00 0.00 WAT +ATOM 14204 OH2 TIP3 2632 19.838 -0.139 -39.207 1.00 0.00 WAT +ATOM 14205 H1 TIP3 2632 20.810 -0.103 -39.173 1.00 0.00 WAT +ATOM 14206 H2 TIP3 2632 19.608 0.407 -39.981 1.00 0.00 WAT +ATOM 14207 OH2 TIP3 2633 26.054 -2.633 -32.547 1.00 0.00 WAT +ATOM 14208 H1 TIP3 2633 25.410 -2.631 -31.804 1.00 0.00 WAT +ATOM 14209 H2 TIP3 2633 25.482 -2.968 -33.258 1.00 0.00 WAT +ATOM 14210 OH2 TIP3 2634 18.447 0.962 -41.566 1.00 0.00 WAT +ATOM 14211 H1 TIP3 2634 17.803 0.499 -42.128 1.00 0.00 WAT +ATOM 14212 H2 TIP3 2634 19.158 1.178 -42.186 1.00 0.00 WAT +ATOM 14213 OH2 TIP3 2635 29.041 13.170 -25.883 1.00 0.00 WAT +ATOM 14214 H1 TIP3 2635 29.287 13.589 -26.725 1.00 0.00 WAT +ATOM 14215 H2 TIP3 2635 29.771 13.440 -25.301 1.00 0.00 WAT +ATOM 14216 OH2 TIP3 2636 16.979 5.806 -26.456 1.00 0.00 WAT +ATOM 14217 H1 TIP3 2636 17.637 5.856 -25.736 1.00 0.00 WAT +ATOM 14218 H2 TIP3 2636 16.163 5.701 -25.929 1.00 0.00 WAT +ATOM 14219 OH2 TIP3 2637 22.683 0.773 -33.742 1.00 0.00 WAT +ATOM 14220 H1 TIP3 2637 23.411 0.335 -34.207 1.00 0.00 WAT +ATOM 14221 H2 TIP3 2637 22.517 0.158 -32.999 1.00 0.00 WAT +ATOM 14222 OH2 TIP3 2638 17.994 -2.810 -37.617 1.00 0.00 WAT +ATOM 14223 H1 TIP3 2638 17.441 -3.595 -37.470 1.00 0.00 WAT +ATOM 14224 H2 TIP3 2638 18.815 -3.192 -37.957 1.00 0.00 WAT +ATOM 14225 OH2 TIP3 2639 21.656 -0.765 -31.511 1.00 0.00 WAT +ATOM 14226 H1 TIP3 2639 20.875 -0.189 -31.480 1.00 0.00 WAT +ATOM 14227 H2 TIP3 2639 22.142 -0.524 -30.696 1.00 0.00 WAT +ATOM 14228 OH2 TIP3 2640 21.793 5.625 -39.606 1.00 0.00 WAT +ATOM 14229 H1 TIP3 2640 21.035 5.118 -39.966 1.00 0.00 WAT +ATOM 14230 H2 TIP3 2640 21.596 5.651 -38.642 1.00 0.00 WAT +ATOM 14231 OH2 TIP3 2641 29.013 4.786 -30.863 1.00 0.00 WAT +ATOM 14232 H1 TIP3 2641 29.506 5.321 -31.522 1.00 0.00 WAT +ATOM 14233 H2 TIP3 2641 28.158 4.659 -31.321 1.00 0.00 WAT +ATOM 14234 OH2 TIP3 2642 25.939 -1.614 -41.807 1.00 0.00 WAT +ATOM 14235 H1 TIP3 2642 24.962 -1.623 -41.859 1.00 0.00 WAT +ATOM 14236 H2 TIP3 2642 26.148 -0.840 -41.251 1.00 0.00 WAT +ATOM 14237 OH2 TIP3 2643 23.452 5.639 -28.286 1.00 0.00 WAT +ATOM 14238 H1 TIP3 2643 23.143 5.285 -27.440 1.00 0.00 WAT +ATOM 14239 H2 TIP3 2643 23.118 6.548 -28.275 1.00 0.00 WAT +ATOM 14240 OH2 TIP3 2644 26.554 0.250 -39.859 1.00 0.00 WAT +ATOM 14241 H1 TIP3 2644 27.427 0.061 -39.463 1.00 0.00 WAT +ATOM 14242 H2 TIP3 2644 26.706 1.106 -40.299 1.00 0.00 WAT +ATOM 14243 OH2 TIP3 2645 16.947 5.021 -33.777 1.00 0.00 WAT +ATOM 14244 H1 TIP3 2645 17.486 4.898 -34.577 1.00 0.00 WAT +ATOM 14245 H2 TIP3 2645 17.029 4.154 -33.348 1.00 0.00 WAT +ATOM 14246 OH2 TIP3 2646 24.231 6.957 -40.675 1.00 0.00 WAT +ATOM 14247 H1 TIP3 2646 23.941 7.841 -40.369 1.00 0.00 WAT +ATOM 14248 H2 TIP3 2646 23.455 6.423 -40.424 1.00 0.00 WAT +ATOM 14249 OH2 TIP3 2647 14.212 3.281 -28.478 1.00 0.00 WAT +ATOM 14250 H1 TIP3 2647 14.331 2.830 -27.618 1.00 0.00 WAT +ATOM 14251 H2 TIP3 2647 13.597 2.691 -28.943 1.00 0.00 WAT +ATOM 14252 OH2 TIP3 2648 21.181 2.835 -26.570 1.00 0.00 WAT +ATOM 14253 H1 TIP3 2648 20.830 2.536 -27.426 1.00 0.00 WAT +ATOM 14254 H2 TIP3 2648 22.093 2.495 -26.622 1.00 0.00 WAT +ATOM 14255 OH2 TIP3 2649 25.706 8.262 -28.824 1.00 0.00 WAT +ATOM 14256 H1 TIP3 2649 24.737 8.291 -28.882 1.00 0.00 WAT +ATOM 14257 H2 TIP3 2649 25.856 8.463 -27.887 1.00 0.00 WAT +ATOM 14258 OH2 TIP3 2650 31.288 0.330 -39.985 1.00 0.00 WAT +ATOM 14259 H1 TIP3 2650 30.657 0.130 -40.708 1.00 0.00 WAT +ATOM 14260 H2 TIP3 2650 31.388 1.280 -40.171 1.00 0.00 WAT +ATOM 14261 OH2 TIP3 2651 31.683 6.333 -27.243 1.00 0.00 WAT +ATOM 14262 H1 TIP3 2651 30.740 6.528 -27.431 1.00 0.00 WAT +ATOM 14263 H2 TIP3 2651 32.007 6.123 -28.141 1.00 0.00 WAT +ATOM 14264 OH2 TIP3 2652 29.567 8.886 -39.900 1.00 0.00 WAT +ATOM 14265 H1 TIP3 2652 29.185 8.145 -39.406 1.00 0.00 WAT +ATOM 14266 H2 TIP3 2652 29.804 8.473 -40.742 1.00 0.00 WAT +ATOM 14267 OH2 TIP3 2653 26.671 4.215 -32.567 1.00 0.00 WAT +ATOM 14268 H1 TIP3 2653 25.739 4.051 -32.804 1.00 0.00 WAT +ATOM 14269 H2 TIP3 2653 27.109 3.488 -33.053 1.00 0.00 WAT +ATOM 14270 OH2 TIP3 2654 19.298 8.297 -36.494 1.00 0.00 WAT +ATOM 14271 H1 TIP3 2654 19.729 9.150 -36.663 1.00 0.00 WAT +ATOM 14272 H2 TIP3 2654 18.393 8.469 -36.783 1.00 0.00 WAT +ATOM 14273 OH2 TIP3 2655 15.389 3.177 -41.977 1.00 0.00 WAT +ATOM 14274 H1 TIP3 2655 15.939 3.849 -41.534 1.00 0.00 WAT +ATOM 14275 H2 TIP3 2655 14.490 3.416 -41.682 1.00 0.00 WAT +ATOM 14276 OH2 TIP3 2656 21.145 5.985 -36.883 1.00 0.00 WAT +ATOM 14277 H1 TIP3 2656 20.829 6.893 -36.754 1.00 0.00 WAT +ATOM 14278 H2 TIP3 2656 20.431 5.475 -36.471 1.00 0.00 WAT +ATOM 14279 OH2 TIP3 2657 21.299 10.250 -30.540 1.00 0.00 WAT +ATOM 14280 H1 TIP3 2657 21.866 10.985 -30.830 1.00 0.00 WAT +ATOM 14281 H2 TIP3 2657 21.918 9.738 -29.995 1.00 0.00 WAT +ATOM 14282 OH2 TIP3 2658 19.750 11.186 -37.312 1.00 0.00 WAT +ATOM 14283 H1 TIP3 2658 18.792 11.330 -37.252 1.00 0.00 WAT +ATOM 14284 H2 TIP3 2658 20.096 12.067 -37.080 1.00 0.00 WAT +ATOM 14285 OH2 TIP3 2659 24.722 6.004 -30.973 1.00 0.00 WAT +ATOM 14286 H1 TIP3 2659 24.424 5.702 -30.096 1.00 0.00 WAT +ATOM 14287 H2 TIP3 2659 25.441 5.378 -31.165 1.00 0.00 WAT +ATOM 14288 OH2 TIP3 2660 26.863 7.202 -41.921 1.00 0.00 WAT +ATOM 14289 H1 TIP3 2660 27.327 6.757 -41.188 1.00 0.00 WAT +ATOM 14290 H2 TIP3 2660 25.952 7.161 -41.588 1.00 0.00 WAT +ATOM 14291 OH2 TIP3 2661 27.655 10.567 -28.582 1.00 0.00 WAT +ATOM 14292 H1 TIP3 2661 26.905 10.091 -28.990 1.00 0.00 WAT +ATOM 14293 H2 TIP3 2661 27.744 11.349 -29.157 1.00 0.00 WAT +ATOM 14294 OH2 TIP3 2662 31.785 11.739 -41.589 1.00 0.00 WAT +ATOM 14295 H1 TIP3 2662 32.457 12.438 -41.444 1.00 0.00 WAT +ATOM 14296 H2 TIP3 2662 30.965 12.219 -41.356 1.00 0.00 WAT +ATOM 14297 OH2 TIP3 2663 15.514 -2.070 -28.932 1.00 0.00 WAT +ATOM 14298 H1 TIP3 2663 14.595 -1.818 -29.141 1.00 0.00 WAT +ATOM 14299 H2 TIP3 2663 15.385 -2.914 -28.461 1.00 0.00 WAT +ATOM 14300 OH2 TIP3 2664 27.865 5.896 -39.655 1.00 0.00 WAT +ATOM 14301 H1 TIP3 2664 27.584 5.178 -39.058 1.00 0.00 WAT +ATOM 14302 H2 TIP3 2664 28.835 5.839 -39.586 1.00 0.00 WAT +ATOM 14303 OH2 TIP3 2665 15.252 9.693 -30.494 1.00 0.00 WAT +ATOM 14304 H1 TIP3 2665 15.553 8.780 -30.364 1.00 0.00 WAT +ATOM 14305 H2 TIP3 2665 15.513 10.079 -29.649 1.00 0.00 WAT +ATOM 14306 OH2 TIP3 2666 21.396 8.331 -43.207 1.00 0.00 WAT +ATOM 14307 H1 TIP3 2666 21.719 7.489 -43.573 1.00 0.00 WAT +ATOM 14308 H2 TIP3 2666 20.761 8.000 -42.547 1.00 0.00 WAT +ATOM 14309 OH2 TIP3 2667 19.859 7.868 -40.684 1.00 0.00 WAT +ATOM 14310 H1 TIP3 2667 20.453 7.322 -40.149 1.00 0.00 WAT +ATOM 14311 H2 TIP3 2667 20.143 8.777 -40.473 1.00 0.00 WAT +ATOM 14312 OH2 TIP3 2668 16.792 5.220 -40.346 1.00 0.00 WAT +ATOM 14313 H1 TIP3 2668 16.045 5.656 -39.891 1.00 0.00 WAT +ATOM 14314 H2 TIP3 2668 17.268 5.987 -40.706 1.00 0.00 WAT +ATOM 14315 OH2 TIP3 2669 24.473 -2.239 -30.352 1.00 0.00 WAT +ATOM 14316 H1 TIP3 2669 25.088 -1.972 -29.654 1.00 0.00 WAT +ATOM 14317 H2 TIP3 2669 23.988 -2.981 -29.939 1.00 0.00 WAT +ATOM 14318 OH2 TIP3 2670 25.055 -2.678 -39.209 1.00 0.00 WAT +ATOM 14319 H1 TIP3 2670 25.372 -2.207 -39.999 1.00 0.00 WAT +ATOM 14320 H2 TIP3 2670 25.586 -2.273 -38.507 1.00 0.00 WAT +ATOM 14321 OH2 TIP3 2671 22.910 9.475 -40.220 1.00 0.00 WAT +ATOM 14322 H1 TIP3 2671 22.099 9.981 -40.057 1.00 0.00 WAT +ATOM 14323 H2 TIP3 2671 23.365 10.042 -40.857 1.00 0.00 WAT +ATOM 14324 OH2 TIP3 2672 22.508 -0.767 -38.152 1.00 0.00 WAT +ATOM 14325 H1 TIP3 2672 23.299 -0.209 -38.012 1.00 0.00 WAT +ATOM 14326 H2 TIP3 2672 22.224 -0.942 -37.235 1.00 0.00 WAT +ATOM 14327 OH2 TIP3 2673 22.914 0.132 -29.003 1.00 0.00 WAT +ATOM 14328 H1 TIP3 2673 22.938 0.632 -28.170 1.00 0.00 WAT +ATOM 14329 H2 TIP3 2673 23.415 -0.660 -28.764 1.00 0.00 WAT +ATOM 14330 OH2 TIP3 2674 23.142 -3.755 -37.244 1.00 0.00 WAT +ATOM 14331 H1 TIP3 2674 22.947 -3.071 -36.576 1.00 0.00 WAT +ATOM 14332 H2 TIP3 2674 23.858 -3.321 -37.751 1.00 0.00 WAT +ATOM 14333 OH2 TIP3 2675 20.102 10.654 -40.246 1.00 0.00 WAT +ATOM 14334 H1 TIP3 2675 20.107 11.506 -40.724 1.00 0.00 WAT +ATOM 14335 H2 TIP3 2675 19.965 10.931 -39.324 1.00 0.00 WAT +ATOM 14336 OH2 TIP3 2676 18.857 -2.692 -40.793 1.00 0.00 WAT +ATOM 14337 H1 TIP3 2676 18.785 -1.976 -40.141 1.00 0.00 WAT +ATOM 14338 H2 TIP3 2676 19.612 -3.198 -40.441 1.00 0.00 WAT +ATOM 14339 OH2 TIP3 2677 29.165 -1.872 -28.115 1.00 0.00 WAT +ATOM 14340 H1 TIP3 2677 28.204 -1.749 -28.252 1.00 0.00 WAT +ATOM 14341 H2 TIP3 2677 29.406 -2.106 -29.024 1.00 0.00 WAT +ATOM 14342 OH2 TIP3 2678 27.672 1.970 -34.086 1.00 0.00 WAT +ATOM 14343 H1 TIP3 2678 26.853 1.514 -34.354 1.00 0.00 WAT +ATOM 14344 H2 TIP3 2678 28.157 1.256 -33.615 1.00 0.00 WAT +ATOM 14345 OH2 TIP3 2679 17.186 8.228 -41.570 1.00 0.00 WAT +ATOM 14346 H1 TIP3 2679 18.038 8.429 -41.143 1.00 0.00 WAT +ATOM 14347 H2 TIP3 2679 17.506 7.710 -42.329 1.00 0.00 WAT +ATOM 14348 OH2 TIP3 2680 15.436 0.369 -42.505 1.00 0.00 WAT +ATOM 14349 H1 TIP3 2680 15.578 1.329 -42.378 1.00 0.00 WAT +ATOM 14350 H2 TIP3 2680 14.549 0.361 -42.907 1.00 0.00 WAT +ATOM 14351 OH2 TIP3 2681 28.687 10.830 -32.696 1.00 0.00 WAT +ATOM 14352 H1 TIP3 2681 28.525 11.649 -33.202 1.00 0.00 WAT +ATOM 14353 H2 TIP3 2681 29.613 10.960 -32.443 1.00 0.00 WAT +ATOM 14354 OH2 TIP3 2682 16.313 -4.671 -33.706 1.00 0.00 WAT +ATOM 14355 H1 TIP3 2682 16.124 -4.689 -34.667 1.00 0.00 WAT +ATOM 14356 H2 TIP3 2682 15.962 -5.529 -33.402 1.00 0.00 WAT +ATOM 14357 OH2 TIP3 2683 15.226 8.920 -37.414 1.00 0.00 WAT +ATOM 14358 H1 TIP3 2683 14.378 9.367 -37.302 1.00 0.00 WAT +ATOM 14359 H2 TIP3 2683 15.572 9.335 -38.217 1.00 0.00 WAT +ATOM 14360 OH2 TIP3 2684 14.577 11.735 -26.276 1.00 0.00 WAT +ATOM 14361 H1 TIP3 2684 15.157 11.464 -25.536 1.00 0.00 WAT +ATOM 14362 H2 TIP3 2684 14.210 10.873 -26.552 1.00 0.00 WAT +ATOM 14363 OH2 TIP3 2685 19.259 10.734 -24.457 1.00 0.00 WAT +ATOM 14364 H1 TIP3 2685 20.013 10.138 -24.334 1.00 0.00 WAT +ATOM 14365 H2 TIP3 2685 19.031 10.545 -25.383 1.00 0.00 WAT +ATOM 14366 OH2 TIP3 2686 23.522 10.118 -43.131 1.00 0.00 WAT +ATOM 14367 H1 TIP3 2686 22.709 9.577 -43.216 1.00 0.00 WAT +ATOM 14368 H2 TIP3 2686 24.155 9.519 -43.557 1.00 0.00 WAT +ATOM 14369 OH2 TIP3 2687 25.750 9.080 -25.900 1.00 0.00 WAT +ATOM 14370 H1 TIP3 2687 25.386 8.247 -25.553 1.00 0.00 WAT +ATOM 14371 H2 TIP3 2687 26.463 9.276 -25.267 1.00 0.00 WAT +ATOM 14372 OH2 TIP3 2688 27.447 9.785 -42.854 1.00 0.00 WAT +ATOM 14373 H1 TIP3 2688 27.803 9.007 -42.401 1.00 0.00 WAT +ATOM 14374 H2 TIP3 2688 28.236 10.283 -43.163 1.00 0.00 WAT +ATOM 14375 OH2 TIP3 2689 14.579 5.378 -25.157 1.00 0.00 WAT +ATOM 14376 H1 TIP3 2689 14.680 4.439 -25.411 1.00 0.00 WAT +ATOM 14377 H2 TIP3 2689 13.825 5.646 -25.717 1.00 0.00 WAT +ATOM 14378 OH2 TIP3 2690 18.783 5.929 -42.979 1.00 0.00 WAT +ATOM 14379 H1 TIP3 2690 19.018 5.179 -42.421 1.00 0.00 WAT +ATOM 14380 H2 TIP3 2690 19.379 5.848 -43.743 1.00 0.00 WAT +ATOM 14381 OH2 TIP3 2691 21.143 5.562 -25.809 1.00 0.00 WAT +ATOM 14382 H1 TIP3 2691 20.878 5.864 -26.693 1.00 0.00 WAT +ATOM 14383 H2 TIP3 2691 21.262 4.597 -25.949 1.00 0.00 WAT +ATOM 14384 OH2 TIP3 2692 24.144 6.954 -43.493 1.00 0.00 WAT +ATOM 14385 H1 TIP3 2692 24.268 7.087 -42.537 1.00 0.00 WAT +ATOM 14386 H2 TIP3 2692 24.772 6.249 -43.698 1.00 0.00 WAT +ATOM 14387 OH2 TIP3 2693 26.554 5.168 -28.431 1.00 0.00 WAT +ATOM 14388 H1 TIP3 2693 27.333 5.706 -28.636 1.00 0.00 WAT +ATOM 14389 H2 TIP3 2693 25.848 5.833 -28.458 1.00 0.00 WAT +ATOM 14390 OH2 TIP3 2694 15.394 2.559 -25.866 1.00 0.00 WAT +ATOM 14391 H1 TIP3 2694 16.071 1.859 -25.879 1.00 0.00 WAT +ATOM 14392 H2 TIP3 2694 15.204 2.571 -24.911 1.00 0.00 WAT +ATOM 14393 OH2 TIP3 2695 19.872 3.854 -40.865 1.00 0.00 WAT +ATOM 14394 H1 TIP3 2695 19.234 3.383 -40.309 1.00 0.00 WAT +ATOM 14395 H2 TIP3 2695 20.195 3.141 -41.447 1.00 0.00 WAT +ATOM 14396 OH2 TIP3 2696 19.050 1.621 -28.575 1.00 0.00 WAT +ATOM 14397 H1 TIP3 2696 18.540 2.420 -28.352 1.00 0.00 WAT +ATOM 14398 H2 TIP3 2696 19.723 1.976 -29.182 1.00 0.00 WAT +ATOM 14399 OH2 TIP3 2697 21.032 1.957 -42.733 1.00 0.00 WAT +ATOM 14400 H1 TIP3 2697 21.042 1.755 -43.681 1.00 0.00 WAT +ATOM 14401 H2 TIP3 2697 21.990 1.940 -42.527 1.00 0.00 WAT +ATOM 14402 OH2 TIP3 2698 24.383 4.344 -24.988 1.00 0.00 WAT +ATOM 14403 H1 TIP3 2698 25.272 4.129 -25.309 1.00 0.00 WAT +ATOM 14404 H2 TIP3 2698 24.115 3.497 -24.600 1.00 0.00 WAT +ATOM 14405 OH2 TIP3 2699 19.663 -1.044 -27.409 1.00 0.00 WAT +ATOM 14406 H1 TIP3 2699 19.710 -1.726 -28.102 1.00 0.00 WAT +ATOM 14407 H2 TIP3 2699 19.440 -0.251 -27.926 1.00 0.00 WAT +ATOM 14408 OH2 TIP3 2700 19.997 -2.611 -29.964 1.00 0.00 WAT +ATOM 14409 H1 TIP3 2700 20.511 -2.088 -30.608 1.00 0.00 WAT +ATOM 14410 H2 TIP3 2700 19.086 -2.580 -30.322 1.00 0.00 WAT +ATOM 14411 OH2 TIP3 2701 21.540 2.835 -29.567 1.00 0.00 WAT +ATOM 14412 H1 TIP3 2701 22.377 2.740 -30.043 1.00 0.00 WAT +ATOM 14413 H2 TIP3 2701 21.239 3.711 -29.879 1.00 0.00 WAT +ATOM 14414 OH2 TIP3 2702 26.134 0.767 -24.803 1.00 0.00 WAT +ATOM 14415 H1 TIP3 2702 26.325 -0.166 -24.618 1.00 0.00 WAT +ATOM 14416 H2 TIP3 2702 27.027 1.142 -24.832 1.00 0.00 WAT +ATOM 14417 OH2 TIP3 2703 27.092 3.570 -26.283 1.00 0.00 WAT +ATOM 14418 H1 TIP3 2703 26.751 4.170 -26.979 1.00 0.00 WAT +ATOM 14419 H2 TIP3 2703 27.977 3.381 -26.652 1.00 0.00 WAT +ATOM 14420 OH2 TIP3 2704 17.885 0.763 -25.596 1.00 0.00 WAT +ATOM 14421 H1 TIP3 2704 17.315 -0.027 -25.541 1.00 0.00 WAT +ATOM 14422 H2 TIP3 2704 18.665 0.418 -26.051 1.00 0.00 WAT +ATOM 14423 OH2 TIP3 2705 20.737 -5.276 -29.622 1.00 0.00 WAT +ATOM 14424 H1 TIP3 2705 20.554 -4.323 -29.770 1.00 0.00 WAT +ATOM 14425 H2 TIP3 2705 20.028 -5.691 -30.148 1.00 0.00 WAT +ATOM 14426 OH2 TIP3 2706 21.965 -0.678 -25.814 1.00 0.00 WAT +ATOM 14427 H1 TIP3 2706 21.659 -0.970 -24.937 1.00 0.00 WAT +ATOM 14428 H2 TIP3 2706 21.172 -0.903 -26.346 1.00 0.00 WAT +ATOM 14429 OH2 TIP3 2707 24.514 -1.661 -26.961 1.00 0.00 WAT +ATOM 14430 H1 TIP3 2707 23.632 -1.624 -26.548 1.00 0.00 WAT +ATOM 14431 H2 TIP3 2707 24.977 -2.291 -26.375 1.00 0.00 WAT +ATOM 14432 OH2 TIP3 2708 26.396 -3.180 -25.230 1.00 0.00 WAT +ATOM 14433 H1 TIP3 2708 26.227 -4.132 -25.085 1.00 0.00 WAT +ATOM 14434 H2 TIP3 2708 26.185 -2.780 -24.366 1.00 0.00 WAT +ATOM 14435 OH2 TIP3 2709 16.502 -1.769 -25.760 1.00 0.00 WAT +ATOM 14436 H1 TIP3 2709 16.439 -2.517 -26.373 1.00 0.00 WAT +ATOM 14437 H2 TIP3 2709 16.302 -2.191 -24.904 1.00 0.00 WAT +ATOM 14438 OH2 TIP3 2710 20.550 -5.796 -26.799 1.00 0.00 WAT +ATOM 14439 H1 TIP3 2710 21.146 -6.560 -26.736 1.00 0.00 WAT +ATOM 14440 H2 TIP3 2710 20.540 -5.643 -27.763 1.00 0.00 WAT +ATOM 14441 OH2 TIP3 2711 21.544 -3.899 -25.003 1.00 0.00 WAT +ATOM 14442 H1 TIP3 2711 21.173 -4.505 -25.676 1.00 0.00 WAT +ATOM 14443 H2 TIP3 2711 20.823 -3.257 -24.873 1.00 0.00 WAT +ATOM 14444 OH2 TIP3 2712 20.628 13.208 -41.682 1.00 0.00 WAT +ATOM 14445 H1 TIP3 2712 21.597 13.229 -41.666 1.00 0.00 WAT +ATOM 14446 H2 TIP3 2712 20.414 13.683 -42.502 1.00 0.00 WAT +ATOM 14447 OH2 TIP3 2713 14.508 7.140 -41.934 1.00 0.00 WAT +ATOM 14448 H1 TIP3 2713 15.395 7.540 -41.996 1.00 0.00 WAT +ATOM 14449 H2 TIP3 2713 14.441 6.658 -42.771 1.00 0.00 WAT +ATOM 14450 OH2 TIP3 2714 13.470 12.725 -37.174 1.00 0.00 WAT +ATOM 14451 H1 TIP3 2714 12.788 12.334 -37.758 1.00 0.00 WAT +ATOM 14452 H2 TIP3 2714 13.568 12.023 -36.498 1.00 0.00 WAT +ATOM 14453 OH2 TIP3 2715 13.842 10.750 -35.187 1.00 0.00 WAT +ATOM 14454 H1 TIP3 2715 13.582 9.856 -34.910 1.00 0.00 WAT +ATOM 14455 H2 TIP3 2715 14.234 11.065 -34.358 1.00 0.00 WAT +ATOM 14456 OH2 TIP3 2716 31.415 12.016 -32.194 1.00 0.00 WAT +ATOM 14457 H1 TIP3 2716 31.572 11.956 -31.239 1.00 0.00 WAT +ATOM 14458 H2 TIP3 2716 32.285 12.280 -32.520 1.00 0.00 WAT +ATOM 14459 OH2 TIP3 2717 31.315 11.435 -29.321 1.00 0.00 WAT +ATOM 14460 H1 TIP3 2717 30.789 10.690 -29.672 1.00 0.00 WAT +ATOM 14461 H2 TIP3 2717 31.859 10.962 -28.672 1.00 0.00 WAT +ATOM 14462 OH2 TIP3 2718 29.310 6.876 -25.043 1.00 0.00 WAT +ATOM 14463 H1 TIP3 2718 28.432 6.925 -24.628 1.00 0.00 WAT +ATOM 14464 H2 TIP3 2718 29.761 7.666 -24.702 1.00 0.00 WAT +ATOM 14465 OH2 TIP3 2719 30.717 5.700 -39.297 1.00 0.00 WAT +ATOM 14466 H1 TIP3 2719 31.616 6.031 -39.129 1.00 0.00 WAT +ATOM 14467 H2 TIP3 2719 30.636 5.053 -38.571 1.00 0.00 WAT +ATOM 14468 OH2 TIP3 2720 31.168 3.712 -37.312 1.00 0.00 WAT +ATOM 14469 H1 TIP3 2720 30.490 3.152 -36.883 1.00 0.00 WAT +ATOM 14470 H2 TIP3 2720 31.843 3.825 -36.616 1.00 0.00 WAT +ATOM 14471 OH2 TIP3 2721 30.896 6.227 -32.334 1.00 0.00 WAT +ATOM 14472 H1 TIP3 2721 31.507 5.722 -32.893 1.00 0.00 WAT +ATOM 14473 H2 TIP3 2721 31.025 7.134 -32.657 1.00 0.00 WAT +ATOM 14474 OH2 TIP3 2722 29.616 9.160 -30.109 1.00 0.00 WAT +ATOM 14475 H1 TIP3 2722 28.877 9.531 -29.596 1.00 0.00 WAT +ATOM 14476 H2 TIP3 2722 29.154 8.775 -30.881 1.00 0.00 WAT +ATOM 14477 OH2 TIP3 2723 31.482 3.408 -41.089 1.00 0.00 WAT +ATOM 14478 H1 TIP3 2723 30.806 3.620 -41.753 1.00 0.00 WAT +ATOM 14479 H2 TIP3 2723 31.246 4.048 -40.399 1.00 0.00 WAT +ATOM 14480 OH2 TIP3 2724 29.694 0.783 -42.101 1.00 0.00 WAT +ATOM 14481 H1 TIP3 2724 29.923 1.478 -42.736 1.00 0.00 WAT +ATOM 14482 H2 TIP3 2724 29.931 -0.016 -42.583 1.00 0.00 WAT +ATOM 14483 OH2 TIP3 2725 29.107 1.854 -36.497 1.00 0.00 WAT +ATOM 14484 H1 TIP3 2725 29.023 0.902 -36.669 1.00 0.00 WAT +ATOM 14485 H2 TIP3 2725 28.715 1.939 -35.605 1.00 0.00 WAT +ATOM 14486 OH2 TIP3 2726 13.948 4.091 -32.802 1.00 0.00 WAT +ATOM 14487 H1 TIP3 2726 14.200 4.114 -33.741 1.00 0.00 WAT +ATOM 14488 H2 TIP3 2726 14.808 3.853 -32.396 1.00 0.00 WAT +ATOM 14489 OH2 TIP3 2727 29.706 3.790 -27.370 1.00 0.00 WAT +ATOM 14490 H1 TIP3 2727 30.428 3.157 -27.195 1.00 0.00 WAT +ATOM 14491 H2 TIP3 2727 30.183 4.614 -27.533 1.00 0.00 WAT +ATOM 14492 OH2 TIP3 2728 31.266 1.893 -26.149 1.00 0.00 WAT +ATOM 14493 H1 TIP3 2728 30.473 1.357 -26.369 1.00 0.00 WAT +ATOM 14494 H2 TIP3 2728 31.965 1.212 -26.167 1.00 0.00 WAT +ATOM 14495 OH2 TIP3 2729 28.881 -2.197 -43.202 1.00 0.00 WAT +ATOM 14496 H1 TIP3 2729 29.489 -2.702 -42.650 1.00 0.00 WAT +ATOM 14497 H2 TIP3 2729 28.085 -2.764 -43.228 1.00 0.00 WAT +ATOM 14498 OH2 TIP3 2730 28.903 -0.607 -38.350 1.00 0.00 WAT +ATOM 14499 H1 TIP3 2730 29.153 -1.556 -38.285 1.00 0.00 WAT +ATOM 14500 H2 TIP3 2730 29.716 -0.239 -38.733 1.00 0.00 WAT +ATOM 14501 OH2 TIP3 2731 29.203 -0.019 -32.889 1.00 0.00 WAT +ATOM 14502 H1 TIP3 2731 30.179 0.051 -32.911 1.00 0.00 WAT +ATOM 14503 H2 TIP3 2731 29.057 -0.024 -31.927 1.00 0.00 WAT +ATOM 14504 OH2 TIP3 2732 29.372 0.656 -30.066 1.00 0.00 WAT +ATOM 14505 H1 TIP3 2732 28.513 1.035 -29.800 1.00 0.00 WAT +ATOM 14506 H2 TIP3 2732 29.889 1.455 -30.277 1.00 0.00 WAT +ATOM 14507 OH2 TIP3 2733 13.876 -0.556 -26.433 1.00 0.00 WAT +ATOM 14508 H1 TIP3 2733 14.810 -0.797 -26.284 1.00 0.00 WAT +ATOM 14509 H2 TIP3 2733 13.439 -1.417 -26.314 1.00 0.00 WAT +ATOM 14510 OH2 TIP3 2734 31.976 -5.166 -24.759 1.00 0.00 WAT +ATOM 14511 H1 TIP3 2734 32.324 -5.859 -25.347 1.00 0.00 WAT +ATOM 14512 H2 TIP3 2734 31.959 -4.386 -25.347 1.00 0.00 WAT +ATOM 14513 OH2 TIP3 2735 29.409 -3.361 -38.307 1.00 0.00 WAT +ATOM 14514 H1 TIP3 2735 29.575 -3.747 -37.427 1.00 0.00 WAT +ATOM 14515 H2 TIP3 2735 28.663 -3.911 -38.620 1.00 0.00 WAT +ATOM 14516 OH2 TIP3 2736 14.631 -2.236 -33.593 1.00 0.00 WAT +ATOM 14517 H1 TIP3 2736 15.085 -3.093 -33.515 1.00 0.00 WAT +ATOM 14518 H2 TIP3 2736 15.318 -1.636 -33.246 1.00 0.00 WAT +ATOM 14519 OH2 TIP3 2737 13.167 0.444 -32.554 1.00 0.00 WAT +ATOM 14520 H1 TIP3 2737 13.750 0.381 -33.328 1.00 0.00 WAT +ATOM 14521 H2 TIP3 2737 13.554 1.198 -32.093 1.00 0.00 WAT +ATOM 14522 OH2 TIP3 2738 31.292 -3.150 -26.534 1.00 0.00 WAT +ATOM 14523 H1 TIP3 2738 30.412 -2.733 -26.481 1.00 0.00 WAT +ATOM 14524 H2 TIP3 2738 31.171 -3.702 -27.327 1.00 0.00 WAT +ATOM 14525 OH2 TIP3 2739 31.451 -2.993 -41.759 1.00 0.00 WAT +ATOM 14526 H1 TIP3 2739 31.697 -3.725 -42.334 1.00 0.00 WAT +ATOM 14527 H2 TIP3 2739 32.282 -2.492 -41.715 1.00 0.00 WAT +ATOM 14528 OH2 TIP3 2740 13.669 -3.214 -38.515 1.00 0.00 WAT +ATOM 14529 H1 TIP3 2740 12.719 -3.193 -38.719 1.00 0.00 WAT +ATOM 14530 H2 TIP3 2740 14.052 -2.622 -39.191 1.00 0.00 WAT +ATOM 14531 OH2 TIP3 2741 28.283 12.035 -36.406 1.00 0.00 WAT +ATOM 14532 H1 TIP3 2741 28.756 11.759 -37.207 1.00 0.00 WAT +ATOM 14533 H2 TIP3 2741 28.994 12.394 -35.863 1.00 0.00 WAT +ATOM 14534 OH2 TIP3 2742 13.711 -4.352 -30.359 1.00 0.00 WAT +ATOM 14535 H1 TIP3 2742 13.018 -4.610 -29.736 1.00 0.00 WAT +ATOM 14536 H2 TIP3 2742 13.202 -3.829 -31.003 1.00 0.00 WAT +ATOM 14537 OH2 TIP3 2743 15.696 8.810 -25.654 1.00 0.00 WAT +ATOM 14538 H1 TIP3 2743 14.992 8.696 -26.308 1.00 0.00 WAT +ATOM 14539 H2 TIP3 2743 15.224 8.703 -24.818 1.00 0.00 WAT +ATOM 14540 OH2 TIP3 2744 18.535 9.744 -29.987 1.00 0.00 WAT +ATOM 14541 H1 TIP3 2744 18.244 10.597 -30.354 1.00 0.00 WAT +ATOM 14542 H2 TIP3 2744 19.495 9.812 -30.165 1.00 0.00 WAT +ATOM 14543 OH2 TIP3 2745 23.038 11.053 -26.971 1.00 0.00 WAT +ATOM 14544 H1 TIP3 2745 23.207 10.860 -26.034 1.00 0.00 WAT +ATOM 14545 H2 TIP3 2745 23.877 11.480 -27.237 1.00 0.00 WAT +ATOM 14546 OH2 TIP3 2746 25.342 12.503 -27.744 1.00 0.00 WAT +ATOM 14547 H1 TIP3 2746 26.019 11.850 -27.979 1.00 0.00 WAT +ATOM 14548 H2 TIP3 2746 25.648 12.789 -26.862 1.00 0.00 WAT +ATOM 14549 OH2 TIP3 2747 30.223 -4.950 -28.617 1.00 0.00 WAT +ATOM 14550 H1 TIP3 2747 29.390 -4.700 -29.056 1.00 0.00 WAT +ATOM 14551 H2 TIP3 2747 30.312 -5.877 -28.910 1.00 0.00 WAT +ATOM 14552 OH2 TIP3 2748 15.893 12.699 -29.670 1.00 0.00 WAT +ATOM 14553 H1 TIP3 2748 15.301 13.339 -30.099 1.00 0.00 WAT +ATOM 14554 H2 TIP3 2748 15.574 12.745 -28.760 1.00 0.00 WAT +ATOM 14555 OH2 TIP3 2749 18.408 12.465 -31.101 1.00 0.00 WAT +ATOM 14556 H1 TIP3 2749 17.550 12.651 -30.673 1.00 0.00 WAT +ATOM 14557 H2 TIP3 2749 18.444 13.147 -31.795 1.00 0.00 WAT +ATOM 14558 OH2 TIP3 2750 23.150 12.454 -31.548 1.00 0.00 WAT +ATOM 14559 H1 TIP3 2750 22.779 12.895 -32.334 1.00 0.00 WAT +ATOM 14560 H2 TIP3 2750 23.239 13.203 -30.930 1.00 0.00 WAT +ATOM 14561 OH2 TIP3 2751 25.487 11.181 -30.618 1.00 0.00 WAT +ATOM 14562 H1 TIP3 2751 24.643 11.523 -30.968 1.00 0.00 WAT +ATOM 14563 H2 TIP3 2751 26.047 11.968 -30.659 1.00 0.00 WAT +ATOM 14564 OH2 TIP3 2752 28.034 12.910 -30.440 1.00 0.00 WAT +ATOM 14565 H1 TIP3 2752 27.976 13.856 -30.674 1.00 0.00 WAT +ATOM 14566 H2 TIP3 2752 28.299 12.530 -31.295 1.00 0.00 WAT +ATOM 14567 OH2 TIP3 2753 15.486 11.478 -32.715 1.00 0.00 WAT +ATOM 14568 H1 TIP3 2753 15.483 10.986 -31.866 1.00 0.00 WAT +ATOM 14569 H2 TIP3 2753 16.244 11.048 -33.163 1.00 0.00 WAT +ATOM 14570 OH2 TIP3 2754 17.505 10.253 -34.255 1.00 0.00 WAT +ATOM 14571 H1 TIP3 2754 17.360 9.311 -34.028 1.00 0.00 WAT +ATOM 14572 H2 TIP3 2754 18.431 10.383 -33.969 1.00 0.00 WAT +ATOM 14573 OH2 TIP3 2755 20.275 10.701 -33.392 1.00 0.00 WAT +ATOM 14574 H1 TIP3 2755 20.464 9.775 -33.628 1.00 0.00 WAT +ATOM 14575 H2 TIP3 2755 20.343 10.653 -32.425 1.00 0.00 WAT +ATOM 14576 OH2 TIP3 2756 23.599 -3.410 -34.092 1.00 0.00 WAT +ATOM 14577 H1 TIP3 2756 22.913 -4.090 -33.948 1.00 0.00 WAT +ATOM 14578 H2 TIP3 2756 24.209 -3.869 -34.692 1.00 0.00 WAT +ATOM 14579 OH2 TIP3 2757 28.569 -5.378 -33.627 1.00 0.00 WAT +ATOM 14580 H1 TIP3 2757 29.322 -4.948 -34.068 1.00 0.00 WAT +ATOM 14581 H2 TIP3 2757 27.816 -5.105 -34.175 1.00 0.00 WAT +ATOM 14582 OH2 TIP3 2758 30.598 -4.284 -35.797 1.00 0.00 WAT +ATOM 14583 H1 TIP3 2758 31.341 -4.742 -36.232 1.00 0.00 WAT +ATOM 14584 H2 TIP3 2758 30.955 -3.384 -35.678 1.00 0.00 WAT +ATOM 14585 OH2 TIP3 2759 15.959 -4.698 -36.520 1.00 0.00 WAT +ATOM 14586 H1 TIP3 2759 15.097 -4.818 -36.967 1.00 0.00 WAT +ATOM 14587 H2 TIP3 2759 16.378 -5.561 -36.684 1.00 0.00 WAT +ATOM 14588 OH2 TIP3 2760 14.737 -5.152 -40.806 1.00 0.00 WAT +ATOM 14589 H1 TIP3 2760 15.331 -4.519 -41.273 1.00 0.00 WAT +ATOM 14590 H2 TIP3 2760 14.405 -4.598 -40.081 1.00 0.00 WAT +ATOM 14591 OH2 TIP3 2761 20.426 -4.887 -36.654 1.00 0.00 WAT +ATOM 14592 H1 TIP3 2761 21.329 -4.561 -36.799 1.00 0.00 WAT +ATOM 14593 H2 TIP3 2761 20.409 -4.960 -35.692 1.00 0.00 WAT +ATOM 14594 OH2 TIP3 2762 26.023 -4.827 -35.241 1.00 0.00 WAT +ATOM 14595 H1 TIP3 2762 26.276 -4.967 -36.164 1.00 0.00 WAT +ATOM 14596 H2 TIP3 2762 25.639 -5.691 -35.005 1.00 0.00 WAT +ATOM 14597 OH2 TIP3 2763 27.067 -4.847 -39.190 1.00 0.00 WAT +ATOM 14598 H1 TIP3 2763 26.284 -4.381 -39.528 1.00 0.00 WAT +ATOM 14599 H2 TIP3 2763 26.748 -5.767 -39.190 1.00 0.00 WAT +ATOM 14600 OH2 TIP3 2764 14.805 10.753 -39.622 1.00 0.00 WAT +ATOM 14601 H1 TIP3 2764 14.114 10.716 -40.307 1.00 0.00 WAT +ATOM 14602 H2 TIP3 2764 14.831 11.701 -39.448 1.00 0.00 WAT +ATOM 14603 OH2 TIP3 2765 16.415 -3.455 -42.275 1.00 0.00 WAT +ATOM 14604 H1 TIP3 2765 16.981 -3.996 -42.842 1.00 0.00 WAT +ATOM 14605 H2 TIP3 2765 17.076 -2.922 -41.799 1.00 0.00 WAT +ATOM 14606 OH2 TIP3 2766 21.524 -3.245 -39.582 1.00 0.00 WAT +ATOM 14607 H1 TIP3 2766 21.944 -3.771 -38.883 1.00 0.00 WAT +ATOM 14608 H2 TIP3 2766 21.778 -2.356 -39.288 1.00 0.00 WAT +ATOM 14609 OH2 TIP3 2767 23.619 12.408 -41.455 1.00 0.00 WAT +ATOM 14610 H1 TIP3 2767 24.590 12.513 -41.534 1.00 0.00 WAT +ATOM 14611 H2 TIP3 2767 23.476 11.766 -42.179 1.00 0.00 WAT +ATOM 14612 OH2 TIP3 2768 30.245 11.581 -38.850 1.00 0.00 WAT +ATOM 14613 H1 TIP3 2768 29.931 10.745 -39.256 1.00 0.00 WAT +ATOM 14614 H2 TIP3 2768 29.993 12.240 -39.530 1.00 0.00 WAT +ATOM 14615 OH2 TIP3 2769 15.771 -4.462 -27.028 1.00 0.00 WAT +ATOM 14616 H1 TIP3 2769 15.337 -5.244 -26.643 1.00 0.00 WAT +ATOM 14617 H2 TIP3 2769 16.681 -4.585 -26.708 1.00 0.00 WAT +ATOM 14618 OH2 TIP3 2770 18.123 -5.075 -25.289 1.00 0.00 WAT +ATOM 14619 H1 TIP3 2770 18.949 -5.438 -25.665 1.00 0.00 WAT +ATOM 14620 H2 TIP3 2770 17.782 -5.850 -24.814 1.00 0.00 WAT +ATOM 14621 OH2 TIP3 2771 16.868 11.904 -42.311 1.00 0.00 WAT +ATOM 14622 H1 TIP3 2771 16.393 12.019 -41.481 1.00 0.00 WAT +ATOM 14623 H2 TIP3 2771 17.458 11.162 -42.138 1.00 0.00 WAT +ATOM 14624 OH2 TIP3 2772 26.305 -5.992 -25.110 1.00 0.00 WAT +ATOM 14625 H1 TIP3 2772 26.321 -6.373 -24.211 1.00 0.00 WAT +ATOM 14626 H2 TIP3 2772 27.242 -6.087 -25.371 1.00 0.00 WAT +ATOM 14627 OH2 TIP3 2773 29.631 10.380 -26.414 1.00 0.00 WAT +ATOM 14628 H1 TIP3 2773 28.896 10.167 -27.016 1.00 0.00 WAT +ATOM 14629 H2 TIP3 2773 29.433 11.311 -26.206 1.00 0.00 WAT +ATOM 14630 OH2 TIP3 2774 42.228 3.481 -33.187 1.00 0.00 WAT +ATOM 14631 H1 TIP3 2774 42.836 3.112 -32.534 1.00 0.00 WAT +ATOM 14632 H2 TIP3 2774 42.431 2.983 -33.990 1.00 0.00 WAT +ATOM 14633 OH2 TIP3 2775 35.143 3.078 -31.528 1.00 0.00 WAT +ATOM 14634 H1 TIP3 2775 35.122 2.319 -30.916 1.00 0.00 WAT +ATOM 14635 H2 TIP3 2775 35.853 3.609 -31.141 1.00 0.00 WAT +ATOM 14636 OH2 TIP3 2776 35.812 7.723 -33.047 1.00 0.00 WAT +ATOM 14637 H1 TIP3 2776 35.563 6.805 -33.289 1.00 0.00 WAT +ATOM 14638 H2 TIP3 2776 36.731 7.573 -32.781 1.00 0.00 WAT +ATOM 14639 OH2 TIP3 2777 32.807 1.149 -37.634 1.00 0.00 WAT +ATOM 14640 H1 TIP3 2777 32.347 1.997 -37.541 1.00 0.00 WAT +ATOM 14641 H2 TIP3 2777 32.124 0.604 -38.049 1.00 0.00 WAT +ATOM 14642 OH2 TIP3 2778 33.624 3.582 -35.763 1.00 0.00 WAT +ATOM 14643 H1 TIP3 2778 33.739 2.729 -35.297 1.00 0.00 WAT +ATOM 14644 H2 TIP3 2778 34.447 3.633 -36.264 1.00 0.00 WAT +ATOM 14645 OH2 TIP3 2779 41.312 6.049 -32.596 1.00 0.00 WAT +ATOM 14646 H1 TIP3 2779 41.451 5.248 -33.144 1.00 0.00 WAT +ATOM 14647 H2 TIP3 2779 41.953 5.865 -31.903 1.00 0.00 WAT +ATOM 14648 OH2 TIP3 2780 37.452 -1.620 -35.055 1.00 0.00 WAT +ATOM 14649 H1 TIP3 2780 37.563 -0.781 -35.542 1.00 0.00 WAT +ATOM 14650 H2 TIP3 2780 37.089 -2.189 -35.757 1.00 0.00 WAT +ATOM 14651 OH2 TIP3 2781 34.138 1.087 -34.544 1.00 0.00 WAT +ATOM 14652 H1 TIP3 2781 34.740 0.585 -33.969 1.00 0.00 WAT +ATOM 14653 H2 TIP3 2781 34.198 0.582 -35.373 1.00 0.00 WAT +ATOM 14654 OH2 TIP3 2782 39.518 2.419 -35.045 1.00 0.00 WAT +ATOM 14655 H1 TIP3 2782 40.273 1.878 -34.726 1.00 0.00 WAT +ATOM 14656 H2 TIP3 2782 39.018 1.747 -35.543 1.00 0.00 WAT +ATOM 14657 OH2 TIP3 2783 36.274 -2.833 -30.896 1.00 0.00 WAT +ATOM 14658 H1 TIP3 2783 35.836 -2.375 -31.628 1.00 0.00 WAT +ATOM 14659 H2 TIP3 2783 35.598 -2.745 -30.195 1.00 0.00 WAT +ATOM 14660 OH2 TIP3 2784 39.181 4.975 -30.752 1.00 0.00 WAT +ATOM 14661 H1 TIP3 2784 38.409 5.512 -30.474 1.00 0.00 WAT +ATOM 14662 H2 TIP3 2784 39.770 5.655 -31.110 1.00 0.00 WAT +ATOM 14663 OH2 TIP3 2785 35.835 -0.801 -32.964 1.00 0.00 WAT +ATOM 14664 H1 TIP3 2785 36.498 -0.250 -32.502 1.00 0.00 WAT +ATOM 14665 H2 TIP3 2785 36.406 -1.204 -33.656 1.00 0.00 WAT +ATOM 14666 OH2 TIP3 2786 37.159 6.877 -30.039 1.00 0.00 WAT +ATOM 14667 H1 TIP3 2786 37.121 7.808 -30.325 1.00 0.00 WAT +ATOM 14668 H2 TIP3 2786 36.289 6.800 -29.600 1.00 0.00 WAT +ATOM 14669 OH2 TIP3 2787 33.530 6.604 -39.208 1.00 0.00 WAT +ATOM 14670 H1 TIP3 2787 33.202 7.037 -40.017 1.00 0.00 WAT +ATOM 14671 H2 TIP3 2787 33.607 7.335 -38.564 1.00 0.00 WAT +ATOM 14672 OH2 TIP3 2788 40.411 -5.470 -33.665 1.00 0.00 WAT +ATOM 14673 H1 TIP3 2788 40.107 -6.405 -33.725 1.00 0.00 WAT +ATOM 14674 H2 TIP3 2788 39.575 -5.037 -33.393 1.00 0.00 WAT +ATOM 14675 OH2 TIP3 2789 42.642 3.386 -39.164 1.00 0.00 WAT +ATOM 14676 H1 TIP3 2789 41.999 4.110 -39.283 1.00 0.00 WAT +ATOM 14677 H2 TIP3 2789 43.379 3.696 -39.698 1.00 0.00 WAT +ATOM 14678 OH2 TIP3 2790 42.879 1.970 -42.133 1.00 0.00 WAT +ATOM 14679 H1 TIP3 2790 43.538 1.998 -41.418 1.00 0.00 WAT +ATOM 14680 H2 TIP3 2790 42.981 1.080 -42.471 1.00 0.00 WAT +ATOM 14681 OH2 TIP3 2791 37.616 4.333 -36.177 1.00 0.00 WAT +ATOM 14682 H1 TIP3 2791 37.286 3.872 -36.971 1.00 0.00 WAT +ATOM 14683 H2 TIP3 2791 38.224 3.670 -35.800 1.00 0.00 WAT +ATOM 14684 OH2 TIP3 2792 39.005 7.737 -33.423 1.00 0.00 WAT +ATOM 14685 H1 TIP3 2792 38.863 7.300 -34.273 1.00 0.00 WAT +ATOM 14686 H2 TIP3 2792 39.796 7.273 -33.091 1.00 0.00 WAT +ATOM 14687 OH2 TIP3 2793 38.140 3.169 -32.691 1.00 0.00 WAT +ATOM 14688 H1 TIP3 2793 38.750 3.121 -33.455 1.00 0.00 WAT +ATOM 14689 H2 TIP3 2793 38.585 3.803 -32.099 1.00 0.00 WAT +ATOM 14690 OH2 TIP3 2794 39.054 7.519 -27.880 1.00 0.00 WAT +ATOM 14691 H1 TIP3 2794 38.532 8.136 -27.339 1.00 0.00 WAT +ATOM 14692 H2 TIP3 2794 38.389 7.226 -28.531 1.00 0.00 WAT +ATOM 14693 OH2 TIP3 2795 35.950 3.885 -28.729 1.00 0.00 WAT +ATOM 14694 H1 TIP3 2795 35.988 4.429 -27.923 1.00 0.00 WAT +ATOM 14695 H2 TIP3 2795 34.994 3.717 -28.802 1.00 0.00 WAT +ATOM 14696 OH2 TIP3 2796 42.521 9.600 -36.970 1.00 0.00 WAT +ATOM 14697 H1 TIP3 2796 42.995 10.139 -36.316 1.00 0.00 WAT +ATOM 14698 H2 TIP3 2796 41.970 10.264 -37.404 1.00 0.00 WAT +ATOM 14699 OH2 TIP3 2797 37.099 9.673 -27.011 1.00 0.00 WAT +ATOM 14700 H1 TIP3 2797 36.985 9.664 -27.977 1.00 0.00 WAT +ATOM 14701 H2 TIP3 2797 36.226 9.381 -26.683 1.00 0.00 WAT +ATOM 14702 OH2 TIP3 2798 36.519 3.087 -38.638 1.00 0.00 WAT +ATOM 14703 H1 TIP3 2798 36.244 3.827 -39.204 1.00 0.00 WAT +ATOM 14704 H2 TIP3 2798 35.858 2.413 -38.851 1.00 0.00 WAT +ATOM 14705 OH2 TIP3 2799 32.562 5.752 -29.901 1.00 0.00 WAT +ATOM 14706 H1 TIP3 2799 32.116 5.734 -30.771 1.00 0.00 WAT +ATOM 14707 H2 TIP3 2799 32.694 4.801 -29.724 1.00 0.00 WAT +ATOM 14708 OH2 TIP3 2800 32.625 8.713 -32.985 1.00 0.00 WAT +ATOM 14709 H1 TIP3 2800 33.532 8.380 -32.916 1.00 0.00 WAT +ATOM 14710 H2 TIP3 2800 32.565 9.271 -32.197 1.00 0.00 WAT +ATOM 14711 OH2 TIP3 2801 41.705 8.526 -28.388 1.00 0.00 WAT +ATOM 14712 H1 TIP3 2801 41.811 9.377 -27.940 1.00 0.00 WAT +ATOM 14713 H2 TIP3 2801 40.801 8.252 -28.137 1.00 0.00 WAT +ATOM 14714 OH2 TIP3 2802 41.837 12.316 -38.490 1.00 0.00 WAT +ATOM 14715 H1 TIP3 2802 42.088 12.384 -39.423 1.00 0.00 WAT +ATOM 14716 H2 TIP3 2802 42.075 13.178 -38.124 1.00 0.00 WAT +ATOM 14717 OH2 TIP3 2803 35.730 11.453 -36.804 1.00 0.00 WAT +ATOM 14718 H1 TIP3 2803 35.909 11.017 -35.944 1.00 0.00 WAT +ATOM 14719 H2 TIP3 2803 34.879 11.052 -37.029 1.00 0.00 WAT +ATOM 14720 OH2 TIP3 2804 34.747 7.306 -28.656 1.00 0.00 WAT +ATOM 14721 H1 TIP3 2804 35.024 6.837 -27.841 1.00 0.00 WAT +ATOM 14722 H2 TIP3 2804 34.015 6.752 -28.986 1.00 0.00 WAT +ATOM 14723 OH2 TIP3 2805 37.906 -4.206 -33.036 1.00 0.00 WAT +ATOM 14724 H1 TIP3 2805 37.039 -4.440 -33.402 1.00 0.00 WAT +ATOM 14725 H2 TIP3 2805 37.632 -3.651 -32.289 1.00 0.00 WAT +ATOM 14726 OH2 TIP3 2806 42.467 -4.986 -28.379 1.00 0.00 WAT +ATOM 14727 H1 TIP3 2806 42.350 -5.905 -28.046 1.00 0.00 WAT +ATOM 14728 H2 TIP3 2806 41.571 -4.879 -28.776 1.00 0.00 WAT +ATOM 14729 OH2 TIP3 2807 42.231 -2.141 -42.022 1.00 0.00 WAT +ATOM 14730 H1 TIP3 2807 41.569 -2.286 -41.331 1.00 0.00 WAT +ATOM 14731 H2 TIP3 2807 41.946 -2.795 -42.676 1.00 0.00 WAT +ATOM 14732 OH2 TIP3 2808 37.826 0.582 -31.476 1.00 0.00 WAT +ATOM 14733 H1 TIP3 2808 37.198 0.646 -30.738 1.00 0.00 WAT +ATOM 14734 H2 TIP3 2808 37.829 1.489 -31.846 1.00 0.00 WAT +ATOM 14735 OH2 TIP3 2809 37.738 0.668 -36.623 1.00 0.00 WAT +ATOM 14736 H1 TIP3 2809 36.781 0.529 -36.761 1.00 0.00 WAT +ATOM 14737 H2 TIP3 2809 38.077 0.443 -37.512 1.00 0.00 WAT +ATOM 14738 OH2 TIP3 2810 42.880 0.975 -37.449 1.00 0.00 WAT +ATOM 14739 H1 TIP3 2810 42.643 1.891 -37.681 1.00 0.00 WAT +ATOM 14740 H2 TIP3 2810 43.167 0.612 -38.289 1.00 0.00 WAT +ATOM 14741 OH2 TIP3 2811 42.505 1.472 -26.273 1.00 0.00 WAT +ATOM 14742 H1 TIP3 2811 41.979 0.651 -26.144 1.00 0.00 WAT +ATOM 14743 H2 TIP3 2811 43.399 1.086 -26.304 1.00 0.00 WAT +ATOM 14744 OH2 TIP3 2812 35.159 0.747 -29.627 1.00 0.00 WAT +ATOM 14745 H1 TIP3 2812 35.430 1.000 -28.736 1.00 0.00 WAT +ATOM 14746 H2 TIP3 2812 34.812 -0.151 -29.469 1.00 0.00 WAT +ATOM 14747 OH2 TIP3 2813 38.984 -1.779 -43.088 1.00 0.00 WAT +ATOM 14748 H1 TIP3 2813 38.588 -2.146 -42.276 1.00 0.00 WAT +ATOM 14749 H2 TIP3 2813 38.205 -1.342 -43.482 1.00 0.00 WAT +ATOM 14750 OH2 TIP3 2814 32.041 -1.756 -35.995 1.00 0.00 WAT +ATOM 14751 H1 TIP3 2814 32.645 -1.890 -35.241 1.00 0.00 WAT +ATOM 14752 H2 TIP3 2814 32.478 -2.214 -36.731 1.00 0.00 WAT +ATOM 14753 OH2 TIP3 2815 33.584 -1.371 -40.377 1.00 0.00 WAT +ATOM 14754 H1 TIP3 2815 34.131 -0.889 -41.026 1.00 0.00 WAT +ATOM 14755 H2 TIP3 2815 32.889 -0.719 -40.177 1.00 0.00 WAT +ATOM 14756 OH2 TIP3 2816 43.494 2.038 -30.241 1.00 0.00 WAT +ATOM 14757 H1 TIP3 2816 43.794 1.331 -30.854 1.00 0.00 WAT +ATOM 14758 H2 TIP3 2816 42.809 1.551 -29.760 1.00 0.00 WAT +ATOM 14759 OH2 TIP3 2817 40.490 -1.906 -35.557 1.00 0.00 WAT +ATOM 14760 H1 TIP3 2817 39.543 -1.928 -35.333 1.00 0.00 WAT +ATOM 14761 H2 TIP3 2817 40.883 -1.896 -34.671 1.00 0.00 WAT +ATOM 14762 OH2 TIP3 2818 35.130 -0.528 -36.933 1.00 0.00 WAT +ATOM 14763 H1 TIP3 2818 34.273 -0.316 -37.342 1.00 0.00 WAT +ATOM 14764 H2 TIP3 2818 35.386 -1.358 -37.379 1.00 0.00 WAT +ATOM 14765 OH2 TIP3 2819 38.660 -0.143 -39.219 1.00 0.00 WAT +ATOM 14766 H1 TIP3 2819 39.630 -0.136 -39.176 1.00 0.00 WAT +ATOM 14767 H2 TIP3 2819 38.446 0.432 -39.972 1.00 0.00 WAT +ATOM 14768 OH2 TIP3 2820 37.279 1.038 -41.616 1.00 0.00 WAT +ATOM 14769 H1 TIP3 2820 36.664 0.475 -42.117 1.00 0.00 WAT +ATOM 14770 H2 TIP3 2820 38.056 1.060 -42.187 1.00 0.00 WAT +ATOM 14771 OH2 TIP3 2821 35.826 5.794 -26.465 1.00 0.00 WAT +ATOM 14772 H1 TIP3 2821 36.496 5.850 -25.751 1.00 0.00 WAT +ATOM 14773 H2 TIP3 2821 35.018 5.726 -25.918 1.00 0.00 WAT +ATOM 14774 OH2 TIP3 2822 41.488 0.569 -34.136 1.00 0.00 WAT +ATOM 14775 H1 TIP3 2822 42.129 0.025 -34.614 1.00 0.00 WAT +ATOM 14776 H2 TIP3 2822 41.562 0.221 -33.228 1.00 0.00 WAT +ATOM 14777 OH2 TIP3 2823 36.825 -2.843 -37.657 1.00 0.00 WAT +ATOM 14778 H1 TIP3 2823 36.250 -3.595 -37.416 1.00 0.00 WAT +ATOM 14779 H2 TIP3 2823 37.654 -3.290 -37.875 1.00 0.00 WAT +ATOM 14780 OH2 TIP3 2824 40.544 -0.805 -31.543 1.00 0.00 WAT +ATOM 14781 H1 TIP3 2824 39.767 -0.221 -31.569 1.00 0.00 WAT +ATOM 14782 H2 TIP3 2824 41.011 -0.496 -30.746 1.00 0.00 WAT +ATOM 14783 OH2 TIP3 2825 40.683 5.482 -39.551 1.00 0.00 WAT +ATOM 14784 H1 TIP3 2825 39.913 4.992 -39.902 1.00 0.00 WAT +ATOM 14785 H2 TIP3 2825 40.475 5.565 -38.591 1.00 0.00 WAT +ATOM 14786 OH2 TIP3 2826 42.292 5.711 -28.521 1.00 0.00 WAT +ATOM 14787 H1 TIP3 2826 41.961 5.275 -27.729 1.00 0.00 WAT +ATOM 14788 H2 TIP3 2826 42.078 6.647 -28.377 1.00 0.00 WAT +ATOM 14789 OH2 TIP3 2827 35.802 5.024 -33.773 1.00 0.00 WAT +ATOM 14790 H1 TIP3 2827 36.349 4.889 -34.564 1.00 0.00 WAT +ATOM 14791 H2 TIP3 2827 35.875 4.160 -33.334 1.00 0.00 WAT +ATOM 14792 OH2 TIP3 2828 42.839 6.904 -40.510 1.00 0.00 WAT +ATOM 14793 H1 TIP3 2828 42.523 7.805 -40.307 1.00 0.00 WAT +ATOM 14794 H2 TIP3 2828 42.078 6.370 -40.204 1.00 0.00 WAT +ATOM 14795 OH2 TIP3 2829 33.040 3.292 -28.511 1.00 0.00 WAT +ATOM 14796 H1 TIP3 2829 33.205 2.839 -27.660 1.00 0.00 WAT +ATOM 14797 H2 TIP3 2829 32.440 2.680 -28.968 1.00 0.00 WAT +ATOM 14798 OH2 TIP3 2830 40.030 2.827 -26.520 1.00 0.00 WAT +ATOM 14799 H1 TIP3 2830 39.652 2.460 -27.339 1.00 0.00 WAT +ATOM 14800 H2 TIP3 2830 40.953 2.513 -26.580 1.00 0.00 WAT +ATOM 14801 OH2 TIP3 2831 38.159 8.287 -36.560 1.00 0.00 WAT +ATOM 14802 H1 TIP3 2831 38.572 9.160 -36.649 1.00 0.00 WAT +ATOM 14803 H2 TIP3 2831 37.230 8.486 -36.730 1.00 0.00 WAT +ATOM 14804 OH2 TIP3 2832 34.230 3.237 -42.031 1.00 0.00 WAT +ATOM 14805 H1 TIP3 2832 34.764 3.853 -41.497 1.00 0.00 WAT +ATOM 14806 H2 TIP3 2832 33.327 3.387 -41.681 1.00 0.00 WAT +ATOM 14807 OH2 TIP3 2833 39.956 5.987 -36.899 1.00 0.00 WAT +ATOM 14808 H1 TIP3 2833 39.636 6.892 -36.756 1.00 0.00 WAT +ATOM 14809 H2 TIP3 2833 39.250 5.467 -36.481 1.00 0.00 WAT +ATOM 14810 OH2 TIP3 2834 40.200 10.276 -30.525 1.00 0.00 WAT +ATOM 14811 H1 TIP3 2834 40.787 10.990 -30.853 1.00 0.00 WAT +ATOM 14812 H2 TIP3 2834 40.819 9.770 -29.978 1.00 0.00 WAT +ATOM 14813 OH2 TIP3 2835 38.595 11.196 -37.366 1.00 0.00 WAT +ATOM 14814 H1 TIP3 2835 37.645 11.339 -37.225 1.00 0.00 WAT +ATOM 14815 H2 TIP3 2835 38.969 12.052 -37.082 1.00 0.00 WAT +ATOM 14816 OH2 TIP3 2836 34.360 -2.053 -28.905 1.00 0.00 WAT +ATOM 14817 H1 TIP3 2836 33.446 -1.823 -29.164 1.00 0.00 WAT +ATOM 14818 H2 TIP3 2836 34.233 -2.935 -28.510 1.00 0.00 WAT +ATOM 14819 OH2 TIP3 2837 34.134 9.686 -30.504 1.00 0.00 WAT +ATOM 14820 H1 TIP3 2837 34.405 8.771 -30.334 1.00 0.00 WAT +ATOM 14821 H2 TIP3 2837 34.341 10.086 -29.650 1.00 0.00 WAT +ATOM 14822 OH2 TIP3 2838 39.749 8.208 -43.797 1.00 0.00 WAT +ATOM 14823 H1 TIP3 2838 40.426 7.520 -43.920 1.00 0.00 WAT +ATOM 14824 H2 TIP3 2838 39.464 8.013 -42.882 1.00 0.00 WAT +ATOM 14825 OH2 TIP3 2839 38.754 7.822 -40.711 1.00 0.00 WAT +ATOM 14826 H1 TIP3 2839 39.300 7.282 -40.119 1.00 0.00 WAT +ATOM 14827 H2 TIP3 2839 38.999 8.728 -40.446 1.00 0.00 WAT +ATOM 14828 OH2 TIP3 2840 35.634 5.248 -40.410 1.00 0.00 WAT +ATOM 14829 H1 TIP3 2840 34.880 5.618 -39.898 1.00 0.00 WAT +ATOM 14830 H2 TIP3 2840 36.152 6.049 -40.564 1.00 0.00 WAT +ATOM 14831 OH2 TIP3 2841 43.298 -1.661 -29.884 1.00 0.00 WAT +ATOM 14832 H1 TIP3 2841 43.849 -2.282 -29.398 1.00 0.00 WAT +ATOM 14833 H2 TIP3 2841 42.918 -2.222 -30.573 1.00 0.00 WAT +ATOM 14834 OH2 TIP3 2842 41.622 9.489 -40.296 1.00 0.00 WAT +ATOM 14835 H1 TIP3 2842 40.880 10.039 -39.998 1.00 0.00 WAT +ATOM 14836 H2 TIP3 2842 42.164 10.138 -40.758 1.00 0.00 WAT +ATOM 14837 OH2 TIP3 2843 41.189 -1.005 -38.133 1.00 0.00 WAT +ATOM 14838 H1 TIP3 2843 41.828 -0.344 -37.798 1.00 0.00 WAT +ATOM 14839 H2 TIP3 2843 40.812 -1.273 -37.271 1.00 0.00 WAT +ATOM 14840 OH2 TIP3 2844 41.611 0.124 -28.929 1.00 0.00 WAT +ATOM 14841 H1 TIP3 2844 41.855 0.582 -28.117 1.00 0.00 WAT +ATOM 14842 H2 TIP3 2844 42.310 -0.560 -29.015 1.00 0.00 WAT +ATOM 14843 OH2 TIP3 2845 41.977 -3.829 -36.937 1.00 0.00 WAT +ATOM 14844 H1 TIP3 2845 41.675 -3.036 -36.443 1.00 0.00 WAT +ATOM 14845 H2 TIP3 2845 42.720 -3.477 -37.458 1.00 0.00 WAT +ATOM 14846 OH2 TIP3 2846 38.893 10.638 -40.265 1.00 0.00 WAT +ATOM 14847 H1 TIP3 2846 38.975 11.498 -40.724 1.00 0.00 WAT +ATOM 14848 H2 TIP3 2846 38.778 10.907 -39.334 1.00 0.00 WAT +ATOM 14849 OH2 TIP3 2847 37.701 -2.667 -40.839 1.00 0.00 WAT +ATOM 14850 H1 TIP3 2847 37.609 -2.019 -40.120 1.00 0.00 WAT +ATOM 14851 H2 TIP3 2847 38.367 -3.277 -40.485 1.00 0.00 WAT +ATOM 14852 OH2 TIP3 2848 36.114 8.230 -41.812 1.00 0.00 WAT +ATOM 14853 H1 TIP3 2848 36.805 8.566 -41.218 1.00 0.00 WAT +ATOM 14854 H2 TIP3 2848 36.616 7.544 -42.274 1.00 0.00 WAT +ATOM 14855 OH2 TIP3 2849 34.340 0.380 -42.600 1.00 0.00 WAT +ATOM 14856 H1 TIP3 2849 34.439 1.330 -42.400 1.00 0.00 WAT +ATOM 14857 H2 TIP3 2849 33.414 0.341 -42.903 1.00 0.00 WAT +ATOM 14858 OH2 TIP3 2850 34.883 -4.787 -33.604 1.00 0.00 WAT +ATOM 14859 H1 TIP3 2850 34.836 -4.923 -34.564 1.00 0.00 WAT +ATOM 14860 H2 TIP3 2850 34.817 -5.724 -33.287 1.00 0.00 WAT +ATOM 14861 OH2 TIP3 2851 34.038 8.865 -37.460 1.00 0.00 WAT +ATOM 14862 H1 TIP3 2851 33.238 9.361 -37.242 1.00 0.00 WAT +ATOM 14863 H2 TIP3 2851 34.411 9.372 -38.193 1.00 0.00 WAT +ATOM 14864 OH2 TIP3 2852 33.452 11.734 -26.287 1.00 0.00 WAT +ATOM 14865 H1 TIP3 2852 34.042 11.445 -25.564 1.00 0.00 WAT +ATOM 14866 H2 TIP3 2852 33.070 10.879 -26.570 1.00 0.00 WAT +ATOM 14867 OH2 TIP3 2853 38.162 10.820 -24.525 1.00 0.00 WAT +ATOM 14868 H1 TIP3 2853 38.808 10.140 -24.279 1.00 0.00 WAT +ATOM 14869 H2 TIP3 2853 37.899 10.517 -25.410 1.00 0.00 WAT +ATOM 14870 OH2 TIP3 2854 42.323 10.158 -43.231 1.00 0.00 WAT +ATOM 14871 H1 TIP3 2854 41.573 9.551 -43.212 1.00 0.00 WAT +ATOM 14872 H2 TIP3 2854 43.016 9.588 -43.595 1.00 0.00 WAT +ATOM 14873 OH2 TIP3 2855 33.419 5.375 -25.176 1.00 0.00 WAT +ATOM 14874 H1 TIP3 2855 33.503 4.451 -25.467 1.00 0.00 WAT +ATOM 14875 H2 TIP3 2855 32.642 5.661 -25.695 1.00 0.00 WAT +ATOM 14876 OH2 TIP3 2856 37.903 5.991 -43.220 1.00 0.00 WAT +ATOM 14877 H1 TIP3 2856 37.556 5.359 -42.571 1.00 0.00 WAT +ATOM 14878 H2 TIP3 2856 38.724 5.541 -43.466 1.00 0.00 WAT +ATOM 14879 OH2 TIP3 2857 40.099 5.586 -25.856 1.00 0.00 WAT +ATOM 14880 H1 TIP3 2857 39.763 5.872 -26.719 1.00 0.00 WAT +ATOM 14881 H2 TIP3 2857 40.179 4.615 -25.969 1.00 0.00 WAT +ATOM 14882 OH2 TIP3 2858 42.635 6.880 -43.460 1.00 0.00 WAT +ATOM 14883 H1 TIP3 2858 43.153 7.215 -42.695 1.00 0.00 WAT +ATOM 14884 H2 TIP3 2858 43.227 6.188 -43.778 1.00 0.00 WAT +ATOM 14885 OH2 TIP3 2859 34.283 2.517 -25.994 1.00 0.00 WAT +ATOM 14886 H1 TIP3 2859 34.997 1.856 -25.997 1.00 0.00 WAT +ATOM 14887 H2 TIP3 2859 34.222 2.700 -25.042 1.00 0.00 WAT +ATOM 14888 OH2 TIP3 2860 38.683 3.851 -40.908 1.00 0.00 WAT +ATOM 14889 H1 TIP3 2860 38.059 3.406 -40.314 1.00 0.00 WAT +ATOM 14890 H2 TIP3 2860 39.032 3.100 -41.421 1.00 0.00 WAT +ATOM 14891 OH2 TIP3 2861 37.971 1.667 -28.518 1.00 0.00 WAT +ATOM 14892 H1 TIP3 2861 37.398 2.435 -28.343 1.00 0.00 WAT +ATOM 14893 H2 TIP3 2861 38.504 1.978 -29.264 1.00 0.00 WAT +ATOM 14894 OH2 TIP3 2862 39.949 2.007 -42.768 1.00 0.00 WAT +ATOM 14895 H1 TIP3 2862 39.942 1.739 -43.698 1.00 0.00 WAT +ATOM 14896 H2 TIP3 2862 40.904 2.125 -42.607 1.00 0.00 WAT +ATOM 14897 OH2 TIP3 2863 42.859 4.130 -24.872 1.00 0.00 WAT +ATOM 14898 H1 TIP3 2863 43.589 3.781 -25.390 1.00 0.00 WAT +ATOM 14899 H2 TIP3 2863 42.659 3.346 -24.328 1.00 0.00 WAT +ATOM 14900 OH2 TIP3 2864 38.583 -1.051 -27.392 1.00 0.00 WAT +ATOM 14901 H1 TIP3 2864 38.604 -1.719 -28.102 1.00 0.00 WAT +ATOM 14902 H2 TIP3 2864 38.380 -0.245 -27.897 1.00 0.00 WAT +ATOM 14903 OH2 TIP3 2865 38.865 -2.570 -29.966 1.00 0.00 WAT +ATOM 14904 H1 TIP3 2865 39.321 -2.053 -30.654 1.00 0.00 WAT +ATOM 14905 H2 TIP3 2865 37.950 -2.636 -30.320 1.00 0.00 WAT +ATOM 14906 OH2 TIP3 2866 40.678 2.832 -29.612 1.00 0.00 WAT +ATOM 14907 H1 TIP3 2866 41.350 2.737 -30.297 1.00 0.00 WAT +ATOM 14908 H2 TIP3 2866 40.266 3.678 -29.847 1.00 0.00 WAT +ATOM 14909 OH2 TIP3 2867 36.739 0.767 -25.652 1.00 0.00 WAT +ATOM 14910 H1 TIP3 2867 36.193 -0.038 -25.614 1.00 0.00 WAT +ATOM 14911 H2 TIP3 2867 37.546 0.432 -26.073 1.00 0.00 WAT +ATOM 14912 OH2 TIP3 2868 39.935 -5.112 -29.614 1.00 0.00 WAT +ATOM 14913 H1 TIP3 2868 39.551 -4.216 -29.728 1.00 0.00 WAT +ATOM 14914 H2 TIP3 2868 39.240 -5.641 -30.066 1.00 0.00 WAT +ATOM 14915 OH2 TIP3 2869 41.063 -0.801 -25.857 1.00 0.00 WAT +ATOM 14916 H1 TIP3 2869 40.687 -1.072 -25.003 1.00 0.00 WAT +ATOM 14917 H2 TIP3 2869 40.310 -1.014 -26.444 1.00 0.00 WAT +ATOM 14918 OH2 TIP3 2870 35.393 -1.772 -25.794 1.00 0.00 WAT +ATOM 14919 H1 TIP3 2870 35.311 -2.487 -26.447 1.00 0.00 WAT +ATOM 14920 H2 TIP3 2870 35.185 -2.246 -24.966 1.00 0.00 WAT +ATOM 14921 OH2 TIP3 2871 39.467 -5.767 -26.760 1.00 0.00 WAT +ATOM 14922 H1 TIP3 2871 39.999 -6.575 -26.704 1.00 0.00 WAT +ATOM 14923 H2 TIP3 2871 39.386 -5.662 -27.724 1.00 0.00 WAT +ATOM 14924 OH2 TIP3 2872 40.488 -3.890 -25.013 1.00 0.00 WAT +ATOM 14925 H1 TIP3 2872 40.082 -4.543 -25.622 1.00 0.00 WAT +ATOM 14926 H2 TIP3 2872 39.756 -3.271 -24.864 1.00 0.00 WAT +ATOM 14927 OH2 TIP3 2873 39.608 13.059 -41.754 1.00 0.00 WAT +ATOM 14928 H1 TIP3 2873 40.539 13.271 -41.607 1.00 0.00 WAT +ATOM 14929 H2 TIP3 2873 39.327 13.723 -42.402 1.00 0.00 WAT +ATOM 14930 OH2 TIP3 2874 33.307 7.245 -42.011 1.00 0.00 WAT +ATOM 14931 H1 TIP3 2874 34.246 7.489 -42.000 1.00 0.00 WAT +ATOM 14932 H2 TIP3 2874 33.247 6.582 -42.719 1.00 0.00 WAT +ATOM 14933 OH2 TIP3 2875 32.371 12.689 -37.210 1.00 0.00 WAT +ATOM 14934 H1 TIP3 2875 31.642 12.338 -37.761 1.00 0.00 WAT +ATOM 14935 H2 TIP3 2875 32.417 12.019 -36.497 1.00 0.00 WAT +ATOM 14936 OH2 TIP3 2876 32.730 10.732 -35.201 1.00 0.00 WAT +ATOM 14937 H1 TIP3 2876 32.434 9.857 -34.895 1.00 0.00 WAT +ATOM 14938 H2 TIP3 2876 33.067 11.077 -34.360 1.00 0.00 WAT +ATOM 14939 OH2 TIP3 2877 32.804 4.087 -32.802 1.00 0.00 WAT +ATOM 14940 H1 TIP3 2877 33.057 4.110 -33.741 1.00 0.00 WAT +ATOM 14941 H2 TIP3 2877 33.663 3.852 -32.394 1.00 0.00 WAT +ATOM 14942 OH2 TIP3 2878 32.715 -0.581 -26.399 1.00 0.00 WAT +ATOM 14943 H1 TIP3 2878 33.650 -0.851 -26.356 1.00 0.00 WAT +ATOM 14944 H2 TIP3 2878 32.267 -1.442 -26.322 1.00 0.00 WAT +ATOM 14945 OH2 TIP3 2879 33.500 -2.310 -33.598 1.00 0.00 WAT +ATOM 14946 H1 TIP3 2879 33.900 -3.203 -33.515 1.00 0.00 WAT +ATOM 14947 H2 TIP3 2879 34.220 -1.751 -33.254 1.00 0.00 WAT +ATOM 14948 OH2 TIP3 2880 32.032 0.433 -32.551 1.00 0.00 WAT +ATOM 14949 H1 TIP3 2880 32.610 0.365 -33.327 1.00 0.00 WAT +ATOM 14950 H2 TIP3 2880 32.415 1.195 -32.099 1.00 0.00 WAT +ATOM 14951 OH2 TIP3 2881 32.513 -3.174 -38.475 1.00 0.00 WAT +ATOM 14952 H1 TIP3 2881 31.570 -3.205 -38.708 1.00 0.00 WAT +ATOM 14953 H2 TIP3 2881 32.901 -2.628 -39.184 1.00 0.00 WAT +ATOM 14954 OH2 TIP3 2882 32.521 -4.329 -30.305 1.00 0.00 WAT +ATOM 14955 H1 TIP3 2882 31.778 -4.529 -29.718 1.00 0.00 WAT +ATOM 14956 H2 TIP3 2882 32.075 -3.850 -31.024 1.00 0.00 WAT +ATOM 14957 OH2 TIP3 2883 34.558 8.808 -25.671 1.00 0.00 WAT +ATOM 14958 H1 TIP3 2883 33.832 8.715 -26.304 1.00 0.00 WAT +ATOM 14959 H2 TIP3 2883 34.112 8.671 -24.824 1.00 0.00 WAT +ATOM 14960 OH2 TIP3 2884 37.403 9.727 -30.009 1.00 0.00 WAT +ATOM 14961 H1 TIP3 2884 37.093 10.586 -30.346 1.00 0.00 WAT +ATOM 14962 H2 TIP3 2884 38.362 9.824 -30.171 1.00 0.00 WAT +ATOM 14963 OH2 TIP3 2885 42.213 11.342 -27.103 1.00 0.00 WAT +ATOM 14964 H1 TIP3 2885 42.045 10.996 -26.211 1.00 0.00 WAT +ATOM 14965 H2 TIP3 2885 43.155 11.578 -27.021 1.00 0.00 WAT +ATOM 14966 OH2 TIP3 2886 34.783 12.697 -29.664 1.00 0.00 WAT +ATOM 14967 H1 TIP3 2886 34.179 13.321 -30.104 1.00 0.00 WAT +ATOM 14968 H2 TIP3 2886 34.432 12.711 -28.766 1.00 0.00 WAT +ATOM 14969 OH2 TIP3 2887 37.291 12.464 -31.095 1.00 0.00 WAT +ATOM 14970 H1 TIP3 2887 36.438 12.651 -30.654 1.00 0.00 WAT +ATOM 14971 H2 TIP3 2887 37.325 13.161 -31.774 1.00 0.00 WAT +ATOM 14972 OH2 TIP3 2888 41.972 12.238 -31.546 1.00 0.00 WAT +ATOM 14973 H1 TIP3 2888 41.784 12.727 -32.362 1.00 0.00 WAT +ATOM 14974 H2 TIP3 2888 42.585 12.825 -31.091 1.00 0.00 WAT +ATOM 14975 OH2 TIP3 2889 34.353 11.487 -32.713 1.00 0.00 WAT +ATOM 14976 H1 TIP3 2889 34.329 10.993 -31.864 1.00 0.00 WAT +ATOM 14977 H2 TIP3 2889 35.106 11.043 -33.152 1.00 0.00 WAT +ATOM 14978 OH2 TIP3 2890 36.368 10.233 -34.293 1.00 0.00 WAT +ATOM 14979 H1 TIP3 2890 36.200 9.307 -34.015 1.00 0.00 WAT +ATOM 14980 H2 TIP3 2890 37.272 10.381 -33.954 1.00 0.00 WAT +ATOM 14981 OH2 TIP3 2891 39.134 10.711 -33.400 1.00 0.00 WAT +ATOM 14982 H1 TIP3 2891 39.319 9.777 -33.604 1.00 0.00 WAT +ATOM 14983 H2 TIP3 2891 39.208 10.700 -32.433 1.00 0.00 WAT +ATOM 14984 OH2 TIP3 2892 42.595 -3.725 -34.042 1.00 0.00 WAT +ATOM 14985 H1 TIP3 2892 41.793 -4.263 -33.906 1.00 0.00 WAT +ATOM 14986 H2 TIP3 2892 42.947 -4.124 -34.845 1.00 0.00 WAT +ATOM 14987 OH2 TIP3 2893 34.899 -4.729 -36.524 1.00 0.00 WAT +ATOM 14988 H1 TIP3 2893 34.012 -4.888 -36.900 1.00 0.00 WAT +ATOM 14989 H2 TIP3 2893 35.270 -5.632 -36.527 1.00 0.00 WAT +ATOM 14990 OH2 TIP3 2894 33.565 -5.133 -40.825 1.00 0.00 WAT +ATOM 14991 H1 TIP3 2894 34.180 -4.508 -41.265 1.00 0.00 WAT +ATOM 14992 H2 TIP3 2894 33.269 -4.612 -40.062 1.00 0.00 WAT +ATOM 14993 OH2 TIP3 2895 39.308 -4.742 -36.653 1.00 0.00 WAT +ATOM 14994 H1 TIP3 2895 40.273 -4.611 -36.699 1.00 0.00 WAT +ATOM 14995 H2 TIP3 2895 39.199 -4.987 -35.726 1.00 0.00 WAT +ATOM 14996 OH2 TIP3 2896 33.707 10.754 -39.688 1.00 0.00 WAT +ATOM 14997 H1 TIP3 2896 32.961 10.731 -40.313 1.00 0.00 WAT +ATOM 14998 H2 TIP3 2896 33.676 11.677 -39.410 1.00 0.00 WAT +ATOM 14999 OH2 TIP3 2897 35.281 -3.390 -42.317 1.00 0.00 WAT +ATOM 15000 H1 TIP3 2897 35.800 -4.037 -42.812 1.00 0.00 WAT +ATOM 15001 H2 TIP3 2897 35.971 -2.942 -41.795 1.00 0.00 WAT +ATOM 15002 OH2 TIP3 2898 40.735 -3.239 -39.679 1.00 0.00 WAT +ATOM 15003 H1 TIP3 2898 40.613 -3.877 -38.959 1.00 0.00 WAT +ATOM 15004 H2 TIP3 2898 40.610 -2.392 -39.211 1.00 0.00 WAT +ATOM 15005 OH2 TIP3 2899 42.705 12.246 -41.421 1.00 0.00 WAT +ATOM 15006 H1 TIP3 2899 43.549 12.684 -41.633 1.00 0.00 WAT +ATOM 15007 H2 TIP3 2899 42.539 11.717 -42.231 1.00 0.00 WAT +ATOM 15008 OH2 TIP3 2900 34.595 -4.444 -26.980 1.00 0.00 WAT +ATOM 15009 H1 TIP3 2900 34.202 -5.254 -26.617 1.00 0.00 WAT +ATOM 15010 H2 TIP3 2900 35.534 -4.599 -26.792 1.00 0.00 WAT +ATOM 15011 OH2 TIP3 2901 37.006 -5.079 -25.259 1.00 0.00 WAT +ATOM 15012 H1 TIP3 2901 37.818 -5.438 -25.667 1.00 0.00 WAT +ATOM 15013 H2 TIP3 2901 36.655 -5.878 -24.834 1.00 0.00 WAT +ATOM 15014 OH2 TIP3 2902 35.738 11.852 -42.302 1.00 0.00 WAT +ATOM 15015 H1 TIP3 2902 35.249 12.080 -41.502 1.00 0.00 WAT +ATOM 15016 H2 TIP3 2902 36.288 11.112 -42.030 1.00 0.00 WAT +ATOM 15017 OH2 TIP3 2903 -31.606 22.888 -36.278 1.00 0.00 WAT +ATOM 15018 H1 TIP3 2903 -31.601 23.852 -36.151 1.00 0.00 WAT +ATOM 15019 H2 TIP3 2903 -32.374 22.780 -36.855 1.00 0.00 WAT +ATOM 15020 OH2 TIP3 2904 -32.741 22.342 -33.206 1.00 0.00 WAT +ATOM 15021 H1 TIP3 2904 -32.759 21.791 -32.407 1.00 0.00 WAT +ATOM 15022 H2 TIP3 2904 -33.026 21.717 -33.887 1.00 0.00 WAT +ATOM 15023 OH2 TIP3 2905 -40.270 21.927 -31.565 1.00 0.00 WAT +ATOM 15024 H1 TIP3 2905 -40.323 21.198 -30.918 1.00 0.00 WAT +ATOM 15025 H2 TIP3 2905 -39.596 22.489 -31.159 1.00 0.00 WAT +ATOM 15026 OH2 TIP3 2906 -29.075 25.076 -34.880 1.00 0.00 WAT +ATOM 15027 H1 TIP3 2906 -29.445 24.379 -34.324 1.00 0.00 WAT +ATOM 15028 H2 TIP3 2906 -28.779 25.710 -34.212 1.00 0.00 WAT +ATOM 15029 OH2 TIP3 2907 -39.595 26.547 -33.044 1.00 0.00 WAT +ATOM 15030 H1 TIP3 2907 -39.876 25.652 -33.313 1.00 0.00 WAT +ATOM 15031 H2 TIP3 2907 -38.654 26.399 -32.864 1.00 0.00 WAT +ATOM 15032 OH2 TIP3 2908 -42.097 20.206 -38.704 1.00 0.00 WAT +ATOM 15033 H1 TIP3 2908 -42.367 21.077 -38.377 1.00 0.00 WAT +ATOM 15034 H2 TIP3 2908 -42.956 19.801 -38.874 1.00 0.00 WAT +ATOM 15035 OH2 TIP3 2909 -42.060 22.272 -36.026 1.00 0.00 WAT +ATOM 15036 H1 TIP3 2909 -41.856 21.695 -35.273 1.00 0.00 WAT +ATOM 15037 H2 TIP3 2909 -41.231 22.744 -36.162 1.00 0.00 WAT +ATOM 15038 OH2 TIP3 2910 -32.011 30.444 -34.317 1.00 0.00 WAT +ATOM 15039 H1 TIP3 2910 -31.427 29.730 -34.637 1.00 0.00 WAT +ATOM 15040 H2 TIP3 2910 -32.283 30.108 -33.454 1.00 0.00 WAT +ATOM 15041 OH2 TIP3 2911 -34.260 24.847 -32.637 1.00 0.00 WAT +ATOM 15042 H1 TIP3 2911 -33.925 24.134 -33.207 1.00 0.00 WAT +ATOM 15043 H2 TIP3 2911 -33.450 25.011 -32.115 1.00 0.00 WAT +ATOM 15044 OH2 TIP3 2912 -25.609 16.370 -31.977 1.00 0.00 WAT +ATOM 15045 H1 TIP3 2912 -25.339 16.991 -31.279 1.00 0.00 WAT +ATOM 15046 H2 TIP3 2912 -25.005 16.638 -32.695 1.00 0.00 WAT +ATOM 15047 OH2 TIP3 2913 -30.963 19.181 -32.123 1.00 0.00 WAT +ATOM 15048 H1 TIP3 2913 -30.829 18.221 -32.074 1.00 0.00 WAT +ATOM 15049 H2 TIP3 2913 -31.047 19.316 -33.080 1.00 0.00 WAT +ATOM 15050 OH2 TIP3 2914 -37.986 17.186 -35.058 1.00 0.00 WAT +ATOM 15051 H1 TIP3 2914 -37.854 18.047 -35.504 1.00 0.00 WAT +ATOM 15052 H2 TIP3 2914 -38.349 16.666 -35.802 1.00 0.00 WAT +ATOM 15053 OH2 TIP3 2915 -30.155 17.336 -36.748 1.00 0.00 WAT +ATOM 15054 H1 TIP3 2915 -29.567 16.926 -36.078 1.00 0.00 WAT +ATOM 15055 H2 TIP3 2915 -29.506 17.795 -37.302 1.00 0.00 WAT +ATOM 15056 OH2 TIP3 2916 -41.388 19.922 -34.514 1.00 0.00 WAT +ATOM 15057 H1 TIP3 2916 -40.792 19.518 -33.862 1.00 0.00 WAT +ATOM 15058 H2 TIP3 2916 -41.185 19.393 -35.305 1.00 0.00 WAT +ATOM 15059 OH2 TIP3 2917 -35.920 21.310 -35.090 1.00 0.00 WAT +ATOM 15060 H1 TIP3 2917 -35.219 20.762 -34.687 1.00 0.00 WAT +ATOM 15061 H2 TIP3 2917 -36.433 20.639 -35.575 1.00 0.00 WAT +ATOM 15062 OH2 TIP3 2918 -24.872 17.741 -29.511 1.00 0.00 WAT +ATOM 15063 H1 TIP3 2918 -25.446 18.472 -29.803 1.00 0.00 WAT +ATOM 15064 H2 TIP3 2918 -25.070 17.724 -28.565 1.00 0.00 WAT +ATOM 15065 OH2 TIP3 2919 -39.197 15.991 -30.873 1.00 0.00 WAT +ATOM 15066 H1 TIP3 2919 -39.623 16.456 -31.608 1.00 0.00 WAT +ATOM 15067 H2 TIP3 2919 -39.821 16.189 -30.146 1.00 0.00 WAT +ATOM 15068 OH2 TIP3 2920 -31.709 25.739 -37.498 1.00 0.00 WAT +ATOM 15069 H1 TIP3 2920 -32.021 25.537 -38.384 1.00 0.00 WAT +ATOM 15070 H2 TIP3 2920 -32.143 26.591 -37.312 1.00 0.00 WAT +ATOM 15071 OH2 TIP3 2921 -36.260 23.866 -30.768 1.00 0.00 WAT +ATOM 15072 H1 TIP3 2921 -36.983 24.471 -30.498 1.00 0.00 WAT +ATOM 15073 H2 TIP3 2921 -35.633 24.474 -31.200 1.00 0.00 WAT +ATOM 15074 OH2 TIP3 2922 -28.319 16.599 -34.690 1.00 0.00 WAT +ATOM 15075 H1 TIP3 2922 -28.740 16.050 -34.016 1.00 0.00 WAT +ATOM 15076 H2 TIP3 2922 -27.790 17.208 -34.145 1.00 0.00 WAT +ATOM 15077 OH2 TIP3 2923 -39.572 18.048 -32.962 1.00 0.00 WAT +ATOM 15078 H1 TIP3 2923 -38.936 18.632 -32.498 1.00 0.00 WAT +ATOM 15079 H2 TIP3 2923 -38.996 17.689 -33.672 1.00 0.00 WAT +ATOM 15080 OH2 TIP3 2924 -38.278 25.730 -30.033 1.00 0.00 WAT +ATOM 15081 H1 TIP3 2924 -38.294 26.648 -30.361 1.00 0.00 WAT +ATOM 15082 H2 TIP3 2924 -39.162 25.687 -29.620 1.00 0.00 WAT +ATOM 15083 OH2 TIP3 2925 -41.842 25.340 -39.145 1.00 0.00 WAT +ATOM 15084 H1 TIP3 2925 -42.588 25.566 -39.744 1.00 0.00 WAT +ATOM 15085 H2 TIP3 2925 -41.945 25.997 -38.440 1.00 0.00 WAT +ATOM 15086 OH2 TIP3 2926 -28.517 26.887 -32.387 1.00 0.00 WAT +ATOM 15087 H1 TIP3 2926 -29.483 27.025 -32.366 1.00 0.00 WAT +ATOM 15088 H2 TIP3 2926 -28.222 27.741 -32.752 1.00 0.00 WAT +ATOM 15089 OH2 TIP3 2927 -28.177 15.649 -30.840 1.00 0.00 WAT +ATOM 15090 H1 TIP3 2927 -28.933 16.103 -31.257 1.00 0.00 WAT +ATOM 15091 H2 TIP3 2927 -27.444 15.903 -31.436 1.00 0.00 WAT +ATOM 15092 OH2 TIP3 2928 -34.983 13.383 -33.645 1.00 0.00 WAT +ATOM 15093 H1 TIP3 2928 -35.314 12.473 -33.762 1.00 0.00 WAT +ATOM 15094 H2 TIP3 2928 -35.796 13.837 -33.337 1.00 0.00 WAT +ATOM 15095 OH2 TIP3 2929 -30.211 28.836 -35.822 1.00 0.00 WAT +ATOM 15096 H1 TIP3 2929 -29.725 28.049 -36.139 1.00 0.00 WAT +ATOM 15097 H2 TIP3 2929 -29.530 29.528 -35.923 1.00 0.00 WAT +ATOM 15098 OH2 TIP3 2930 -28.763 26.706 -37.202 1.00 0.00 WAT +ATOM 15099 H1 TIP3 2930 -29.267 26.239 -37.881 1.00 0.00 WAT +ATOM 15100 H2 TIP3 2930 -28.806 26.069 -36.463 1.00 0.00 WAT +ATOM 15101 OH2 TIP3 2931 -27.210 25.519 -28.705 1.00 0.00 WAT +ATOM 15102 H1 TIP3 2931 -27.315 24.882 -29.435 1.00 0.00 WAT +ATOM 15103 H2 TIP3 2931 -27.098 26.361 -29.188 1.00 0.00 WAT +ATOM 15104 OH2 TIP3 2932 -32.918 22.385 -39.049 1.00 0.00 WAT +ATOM 15105 H1 TIP3 2932 -33.586 23.018 -39.377 1.00 0.00 WAT +ATOM 15106 H2 TIP3 2932 -32.202 22.498 -39.692 1.00 0.00 WAT +ATOM 15107 OH2 TIP3 2933 -32.743 20.637 -42.048 1.00 0.00 WAT +ATOM 15108 H1 TIP3 2933 -32.058 20.968 -41.442 1.00 0.00 WAT +ATOM 15109 H2 TIP3 2933 -32.203 20.035 -42.605 1.00 0.00 WAT +ATOM 15110 OH2 TIP3 2934 -25.460 21.685 -30.765 1.00 0.00 WAT +ATOM 15111 H1 TIP3 2934 -26.177 22.346 -30.687 1.00 0.00 WAT +ATOM 15112 H2 TIP3 2934 -24.973 22.035 -31.538 1.00 0.00 WAT +ATOM 15113 OH2 TIP3 2935 -29.447 22.410 -37.945 1.00 0.00 WAT +ATOM 15114 H1 TIP3 2935 -30.129 22.633 -37.271 1.00 0.00 WAT +ATOM 15115 H2 TIP3 2935 -28.840 21.861 -37.416 1.00 0.00 WAT +ATOM 15116 OH2 TIP3 2936 -29.603 20.956 -29.096 1.00 0.00 WAT +ATOM 15117 H1 TIP3 2936 -29.539 21.776 -28.577 1.00 0.00 WAT +ATOM 15118 H2 TIP3 2936 -30.243 21.257 -29.765 1.00 0.00 WAT +ATOM 15119 OH2 TIP3 2937 -37.826 23.202 -36.158 1.00 0.00 WAT +ATOM 15120 H1 TIP3 2937 -38.156 22.780 -36.974 1.00 0.00 WAT +ATOM 15121 H2 TIP3 2937 -37.175 22.551 -35.840 1.00 0.00 WAT +ATOM 15122 OH2 TIP3 2938 -36.492 26.578 -33.409 1.00 0.00 WAT +ATOM 15123 H1 TIP3 2938 -36.581 26.229 -34.306 1.00 0.00 WAT +ATOM 15124 H2 TIP3 2938 -35.681 26.129 -33.099 1.00 0.00 WAT +ATOM 15125 OH2 TIP3 2939 -37.265 22.018 -32.679 1.00 0.00 WAT +ATOM 15126 H1 TIP3 2939 -36.684 22.061 -33.462 1.00 0.00 WAT +ATOM 15127 H2 TIP3 2939 -36.871 22.682 -32.082 1.00 0.00 WAT +ATOM 15128 OH2 TIP3 2940 -31.317 27.518 -32.092 1.00 0.00 WAT +ATOM 15129 H1 TIP3 2940 -31.293 28.197 -31.396 1.00 0.00 WAT +ATOM 15130 H2 TIP3 2940 -31.537 26.703 -31.609 1.00 0.00 WAT +ATOM 15131 OH2 TIP3 2941 -36.427 26.311 -27.833 1.00 0.00 WAT +ATOM 15132 H1 TIP3 2941 -36.936 26.985 -27.347 1.00 0.00 WAT +ATOM 15133 H2 TIP3 2941 -37.065 26.059 -28.527 1.00 0.00 WAT +ATOM 15134 OH2 TIP3 2942 -30.356 21.875 -40.573 1.00 0.00 WAT +ATOM 15135 H1 TIP3 2942 -29.942 22.147 -39.727 1.00 0.00 WAT +ATOM 15136 H2 TIP3 2942 -29.755 22.300 -41.216 1.00 0.00 WAT +ATOM 15137 OH2 TIP3 2943 -39.562 22.660 -28.676 1.00 0.00 WAT +ATOM 15138 H1 TIP3 2943 -39.471 23.274 -27.924 1.00 0.00 WAT +ATOM 15139 H2 TIP3 2943 -40.532 22.635 -28.778 1.00 0.00 WAT +ATOM 15140 OH2 TIP3 2944 -33.044 28.466 -36.944 1.00 0.00 WAT +ATOM 15141 H1 TIP3 2944 -32.533 28.746 -36.175 1.00 0.00 WAT +ATOM 15142 H2 TIP3 2944 -33.503 29.280 -37.203 1.00 0.00 WAT +ATOM 15143 OH2 TIP3 2945 -38.350 28.468 -27.000 1.00 0.00 WAT +ATOM 15144 H1 TIP3 2945 -38.431 28.533 -27.968 1.00 0.00 WAT +ATOM 15145 H2 TIP3 2945 -39.267 28.303 -26.716 1.00 0.00 WAT +ATOM 15146 OH2 TIP3 2946 -26.947 13.547 -40.737 1.00 0.00 WAT +ATOM 15147 H1 TIP3 2946 -27.859 13.755 -40.469 1.00 0.00 WAT +ATOM 15148 H2 TIP3 2946 -26.662 14.402 -41.095 1.00 0.00 WAT +ATOM 15149 OH2 TIP3 2947 -38.921 21.917 -38.660 1.00 0.00 WAT +ATOM 15150 H1 TIP3 2947 -39.172 22.701 -39.182 1.00 0.00 WAT +ATOM 15151 H2 TIP3 2947 -39.635 21.302 -38.882 1.00 0.00 WAT +ATOM 15152 OH2 TIP3 2948 -25.901 27.871 -42.506 1.00 0.00 WAT +ATOM 15153 H1 TIP3 2948 -25.574 28.667 -42.056 1.00 0.00 WAT +ATOM 15154 H2 TIP3 2948 -25.163 27.244 -42.418 1.00 0.00 WAT +ATOM 15155 OH2 TIP3 2949 -42.664 24.756 -30.099 1.00 0.00 WAT +ATOM 15156 H1 TIP3 2949 -42.880 24.429 -30.988 1.00 0.00 WAT +ATOM 15157 H2 TIP3 2949 -43.065 24.067 -29.541 1.00 0.00 WAT +ATOM 15158 OH2 TIP3 2950 -42.826 27.527 -33.114 1.00 0.00 WAT +ATOM 15159 H1 TIP3 2950 -41.958 27.145 -32.933 1.00 0.00 WAT +ATOM 15160 H2 TIP3 2950 -42.992 28.051 -32.322 1.00 0.00 WAT +ATOM 15161 OH2 TIP3 2951 -24.419 28.151 -27.161 1.00 0.00 WAT +ATOM 15162 H1 TIP3 2951 -24.524 27.209 -27.382 1.00 0.00 WAT +ATOM 15163 H2 TIP3 2951 -25.339 28.386 -26.908 1.00 0.00 WAT +ATOM 15164 OH2 TIP3 2952 -33.778 27.368 -28.395 1.00 0.00 WAT +ATOM 15165 H1 TIP3 2952 -33.698 28.194 -27.874 1.00 0.00 WAT +ATOM 15166 H2 TIP3 2952 -34.682 27.076 -28.164 1.00 0.00 WAT +ATOM 15167 OH2 TIP3 2953 -33.459 31.172 -38.465 1.00 0.00 WAT +ATOM 15168 H1 TIP3 2953 -33.477 31.281 -39.432 1.00 0.00 WAT +ATOM 15169 H2 TIP3 2953 -33.421 32.088 -38.146 1.00 0.00 WAT +ATOM 15170 OH2 TIP3 2954 -39.753 30.317 -36.790 1.00 0.00 WAT +ATOM 15171 H1 TIP3 2954 -39.535 29.902 -35.931 1.00 0.00 WAT +ATOM 15172 H2 TIP3 2954 -40.540 29.796 -37.026 1.00 0.00 WAT +ATOM 15173 OH2 TIP3 2955 -30.224 30.797 -41.367 1.00 0.00 WAT +ATOM 15174 H1 TIP3 2955 -29.787 30.211 -42.020 1.00 0.00 WAT +ATOM 15175 H2 TIP3 2955 -30.204 30.248 -40.566 1.00 0.00 WAT +ATOM 15176 OH2 TIP3 2956 -30.748 30.059 -38.617 1.00 0.00 WAT +ATOM 15177 H1 TIP3 2956 -31.684 30.227 -38.412 1.00 0.00 WAT +ATOM 15178 H2 TIP3 2956 -30.533 29.381 -37.958 1.00 0.00 WAT +ATOM 15179 OH2 TIP3 2957 -27.630 19.510 -26.781 1.00 0.00 WAT +ATOM 15180 H1 TIP3 2957 -28.155 19.911 -27.488 1.00 0.00 WAT +ATOM 15181 H2 TIP3 2957 -27.591 18.577 -27.068 1.00 0.00 WAT +ATOM 15182 OH2 TIP3 2958 -40.709 26.156 -28.627 1.00 0.00 WAT +ATOM 15183 H1 TIP3 2958 -40.421 25.587 -27.890 1.00 0.00 WAT +ATOM 15184 H2 TIP3 2958 -41.467 25.665 -29.014 1.00 0.00 WAT +ATOM 15185 OH2 TIP3 2959 -37.461 14.598 -32.904 1.00 0.00 WAT +ATOM 15186 H1 TIP3 2959 -38.293 14.524 -33.408 1.00 0.00 WAT +ATOM 15187 H2 TIP3 2959 -37.667 15.363 -32.345 1.00 0.00 WAT +ATOM 15188 OH2 TIP3 2960 -33.106 14.189 -29.229 1.00 0.00 WAT +ATOM 15189 H1 TIP3 2960 -32.637 13.677 -28.547 1.00 0.00 WAT +ATOM 15190 H2 TIP3 2960 -34.033 13.901 -29.123 1.00 0.00 WAT +ATOM 15191 OH2 TIP3 2961 -29.941 17.998 -28.728 1.00 0.00 WAT +ATOM 15192 H1 TIP3 2961 -30.546 17.845 -27.978 1.00 0.00 WAT +ATOM 15193 H2 TIP3 2961 -30.009 18.958 -28.876 1.00 0.00 WAT +ATOM 15194 OH2 TIP3 2962 -28.147 22.672 -42.509 1.00 0.00 WAT +ATOM 15195 H1 TIP3 2962 -28.604 22.521 -43.352 1.00 0.00 WAT +ATOM 15196 H2 TIP3 2962 -27.824 23.570 -42.661 1.00 0.00 WAT +ATOM 15197 OH2 TIP3 2963 -33.263 16.570 -42.150 1.00 0.00 WAT +ATOM 15198 H1 TIP3 2963 -33.844 16.648 -41.382 1.00 0.00 WAT +ATOM 15199 H2 TIP3 2963 -33.739 15.912 -42.670 1.00 0.00 WAT +ATOM 15200 OH2 TIP3 2964 -37.614 19.420 -31.487 1.00 0.00 WAT +ATOM 15201 H1 TIP3 2964 -38.199 19.537 -30.720 1.00 0.00 WAT +ATOM 15202 H2 TIP3 2964 -37.546 20.334 -31.840 1.00 0.00 WAT +ATOM 15203 OH2 TIP3 2965 -37.691 19.468 -36.603 1.00 0.00 WAT +ATOM 15204 H1 TIP3 2965 -38.648 19.435 -36.781 1.00 0.00 WAT +ATOM 15205 H2 TIP3 2965 -37.340 19.316 -37.502 1.00 0.00 WAT +ATOM 15206 OH2 TIP3 2966 -32.010 20.018 -37.870 1.00 0.00 WAT +ATOM 15207 H1 TIP3 2966 -32.401 20.863 -38.181 1.00 0.00 WAT +ATOM 15208 H2 TIP3 2966 -31.353 19.851 -38.568 1.00 0.00 WAT +ATOM 15209 OH2 TIP3 2967 -32.870 20.255 -26.477 1.00 0.00 WAT +ATOM 15210 H1 TIP3 2967 -33.382 19.507 -26.110 1.00 0.00 WAT +ATOM 15211 H2 TIP3 2967 -32.000 20.127 -26.054 1.00 0.00 WAT +ATOM 15212 OH2 TIP3 2968 -31.222 19.437 -35.050 1.00 0.00 WAT +ATOM 15213 H1 TIP3 2968 -31.489 20.031 -35.780 1.00 0.00 WAT +ATOM 15214 H2 TIP3 2968 -31.008 18.636 -35.570 1.00 0.00 WAT +ATOM 15215 OH2 TIP3 2969 -40.239 19.578 -29.648 1.00 0.00 WAT +ATOM 15216 H1 TIP3 2969 -39.972 19.959 -28.803 1.00 0.00 WAT +ATOM 15217 H2 TIP3 2969 -40.522 18.686 -29.382 1.00 0.00 WAT +ATOM 15218 OH2 TIP3 2970 -36.518 16.965 -43.101 1.00 0.00 WAT +ATOM 15219 H1 TIP3 2970 -36.908 16.705 -42.248 1.00 0.00 WAT +ATOM 15220 H2 TIP3 2970 -37.250 17.496 -43.477 1.00 0.00 WAT +ATOM 15221 OH2 TIP3 2971 -43.218 17.191 -35.969 1.00 0.00 WAT +ATOM 15222 H1 TIP3 2971 -43.048 16.922 -35.048 1.00 0.00 WAT +ATOM 15223 H2 TIP3 2971 -42.791 16.491 -36.468 1.00 0.00 WAT +ATOM 15224 OH2 TIP3 2972 -42.068 17.579 -40.236 1.00 0.00 WAT +ATOM 15225 H1 TIP3 2972 -41.454 17.871 -40.929 1.00 0.00 WAT +ATOM 15226 H2 TIP3 2972 -42.863 18.075 -40.452 1.00 0.00 WAT +ATOM 15227 OH2 TIP3 2973 -32.123 21.128 -30.592 1.00 0.00 WAT +ATOM 15228 H1 TIP3 2973 -31.671 20.406 -31.085 1.00 0.00 WAT +ATOM 15229 H2 TIP3 2973 -32.439 20.659 -29.808 1.00 0.00 WAT +ATOM 15230 OH2 TIP3 2974 -34.905 17.059 -35.579 1.00 0.00 WAT +ATOM 15231 H1 TIP3 2974 -35.850 17.042 -35.352 1.00 0.00 WAT +ATOM 15232 H2 TIP3 2974 -34.494 16.916 -34.710 1.00 0.00 WAT +ATOM 15233 OH2 TIP3 2975 -40.409 18.331 -36.932 1.00 0.00 WAT +ATOM 15234 H1 TIP3 2975 -41.123 18.551 -37.552 1.00 0.00 WAT +ATOM 15235 H2 TIP3 2975 -40.045 17.515 -37.322 1.00 0.00 WAT +ATOM 15236 OH2 TIP3 2976 -36.731 18.672 -39.234 1.00 0.00 WAT +ATOM 15237 H1 TIP3 2976 -35.764 18.757 -39.178 1.00 0.00 WAT +ATOM 15238 H2 TIP3 2976 -36.977 19.269 -39.964 1.00 0.00 WAT +ATOM 15239 OH2 TIP3 2977 -30.506 16.189 -32.560 1.00 0.00 WAT +ATOM 15240 H1 TIP3 2977 -31.138 16.227 -31.808 1.00 0.00 WAT +ATOM 15241 H2 TIP3 2977 -31.110 15.898 -33.265 1.00 0.00 WAT +ATOM 15242 OH2 TIP3 2978 -38.123 19.815 -41.582 1.00 0.00 WAT +ATOM 15243 H1 TIP3 2978 -38.744 19.340 -42.161 1.00 0.00 WAT +ATOM 15244 H2 TIP3 2978 -37.394 20.033 -42.182 1.00 0.00 WAT +ATOM 15245 OH2 TIP3 2979 -27.508 31.997 -25.892 1.00 0.00 WAT +ATOM 15246 H1 TIP3 2979 -27.289 32.456 -26.722 1.00 0.00 WAT +ATOM 15247 H2 TIP3 2979 -26.804 32.313 -25.301 1.00 0.00 WAT +ATOM 15248 OH2 TIP3 2980 -39.528 24.603 -26.470 1.00 0.00 WAT +ATOM 15249 H1 TIP3 2980 -38.901 24.652 -25.717 1.00 0.00 WAT +ATOM 15250 H2 TIP3 2980 -40.371 24.720 -25.982 1.00 0.00 WAT +ATOM 15251 OH2 TIP3 2981 -33.900 19.608 -33.756 1.00 0.00 WAT +ATOM 15252 H1 TIP3 2981 -33.139 19.205 -34.200 1.00 0.00 WAT +ATOM 15253 H2 TIP3 2981 -34.038 19.008 -32.997 1.00 0.00 WAT +ATOM 15254 OH2 TIP3 2982 -38.705 15.994 -37.525 1.00 0.00 WAT +ATOM 15255 H1 TIP3 2982 -39.145 15.135 -37.492 1.00 0.00 WAT +ATOM 15256 H2 TIP3 2982 -37.887 15.782 -37.995 1.00 0.00 WAT +ATOM 15257 OH2 TIP3 2983 -34.920 18.073 -31.494 1.00 0.00 WAT +ATOM 15258 H1 TIP3 2983 -35.687 18.670 -31.496 1.00 0.00 WAT +ATOM 15259 H2 TIP3 2983 -34.436 18.343 -30.687 1.00 0.00 WAT +ATOM 15260 OH2 TIP3 2984 -34.751 24.450 -39.598 1.00 0.00 WAT +ATOM 15261 H1 TIP3 2984 -35.534 23.981 -39.951 1.00 0.00 WAT +ATOM 15262 H2 TIP3 2984 -34.963 24.524 -38.638 1.00 0.00 WAT +ATOM 15263 OH2 TIP3 2985 -27.545 23.626 -30.870 1.00 0.00 WAT +ATOM 15264 H1 TIP3 2985 -27.049 24.180 -31.512 1.00 0.00 WAT +ATOM 15265 H2 TIP3 2985 -28.403 23.528 -31.328 1.00 0.00 WAT +ATOM 15266 OH2 TIP3 2986 -30.605 17.227 -41.819 1.00 0.00 WAT +ATOM 15267 H1 TIP3 2986 -31.584 17.233 -41.880 1.00 0.00 WAT +ATOM 15268 H2 TIP3 2986 -30.398 18.011 -41.272 1.00 0.00 WAT +ATOM 15269 OH2 TIP3 2987 -33.145 24.478 -28.282 1.00 0.00 WAT +ATOM 15270 H1 TIP3 2987 -33.433 24.175 -27.410 1.00 0.00 WAT +ATOM 15271 H2 TIP3 2987 -33.431 25.405 -28.287 1.00 0.00 WAT +ATOM 15272 OH2 TIP3 2988 -30.005 19.094 -39.878 1.00 0.00 WAT +ATOM 15273 H1 TIP3 2988 -29.135 18.927 -39.464 1.00 0.00 WAT +ATOM 15274 H2 TIP3 2988 -29.873 19.969 -40.288 1.00 0.00 WAT +ATOM 15275 OH2 TIP3 2989 -39.782 23.766 -33.911 1.00 0.00 WAT +ATOM 15276 H1 TIP3 2989 -39.096 23.713 -34.601 1.00 0.00 WAT +ATOM 15277 H2 TIP3 2989 -39.605 22.965 -33.389 1.00 0.00 WAT +ATOM 15278 OH2 TIP3 2990 -32.334 25.813 -40.689 1.00 0.00 WAT +ATOM 15279 H1 TIP3 2990 -32.617 26.700 -40.382 1.00 0.00 WAT +ATOM 15280 H2 TIP3 2990 -33.106 25.282 -40.418 1.00 0.00 WAT +ATOM 15281 OH2 TIP3 2991 -42.383 22.311 -28.235 1.00 0.00 WAT +ATOM 15282 H1 TIP3 2991 -42.308 21.657 -27.520 1.00 0.00 WAT +ATOM 15283 H2 TIP3 2991 -42.872 21.804 -28.924 1.00 0.00 WAT +ATOM 15284 OH2 TIP3 2992 -35.406 21.635 -26.528 1.00 0.00 WAT +ATOM 15285 H1 TIP3 2992 -35.754 21.389 -27.402 1.00 0.00 WAT +ATOM 15286 H2 TIP3 2992 -34.472 21.372 -26.625 1.00 0.00 WAT +ATOM 15287 OH2 TIP3 2993 -30.877 27.043 -28.807 1.00 0.00 WAT +ATOM 15288 H1 TIP3 2993 -31.840 27.158 -28.871 1.00 0.00 WAT +ATOM 15289 H2 TIP3 2993 -30.704 27.327 -27.894 1.00 0.00 WAT +ATOM 15290 OH2 TIP3 2994 -25.307 19.207 -39.989 1.00 0.00 WAT +ATOM 15291 H1 TIP3 2994 -25.926 19.015 -40.719 1.00 0.00 WAT +ATOM 15292 H2 TIP3 2994 -25.171 20.156 -40.169 1.00 0.00 WAT +ATOM 15293 OH2 TIP3 2995 -24.893 25.141 -27.229 1.00 0.00 WAT +ATOM 15294 H1 TIP3 2995 -25.824 25.375 -27.431 1.00 0.00 WAT +ATOM 15295 H2 TIP3 2995 -24.545 24.993 -28.130 1.00 0.00 WAT +ATOM 15296 OH2 TIP3 2996 -27.086 27.745 -39.924 1.00 0.00 WAT +ATOM 15297 H1 TIP3 2996 -27.346 26.980 -39.391 1.00 0.00 WAT +ATOM 15298 H2 TIP3 2996 -26.724 27.337 -40.724 1.00 0.00 WAT +ATOM 15299 OH2 TIP3 2997 -29.896 23.064 -32.556 1.00 0.00 WAT +ATOM 15300 H1 TIP3 2997 -30.828 22.919 -32.803 1.00 0.00 WAT +ATOM 15301 H2 TIP3 2997 -29.458 22.350 -33.059 1.00 0.00 WAT +ATOM 15302 OH2 TIP3 2998 -37.272 27.153 -36.508 1.00 0.00 WAT +ATOM 15303 H1 TIP3 2998 -36.860 28.022 -36.644 1.00 0.00 WAT +ATOM 15304 H2 TIP3 2998 -38.190 27.331 -36.752 1.00 0.00 WAT +ATOM 15305 OH2 TIP3 2999 -41.505 21.941 -41.635 1.00 0.00 WAT +ATOM 15306 H1 TIP3 2999 -40.784 22.566 -41.427 1.00 0.00 WAT +ATOM 15307 H2 TIP3 2999 -42.210 22.566 -41.866 1.00 0.00 WAT +ATOM 15308 OH2 TIP3 3000 -35.436 24.837 -36.915 1.00 0.00 WAT +ATOM 15309 H1 TIP3 3000 -35.714 25.752 -36.752 1.00 0.00 WAT +ATOM 15310 H2 TIP3 3000 -36.151 24.345 -36.483 1.00 0.00 WAT +ATOM 15311 OH2 TIP3 3001 -35.262 29.098 -30.549 1.00 0.00 WAT +ATOM 15312 H1 TIP3 3001 -34.710 29.846 -30.836 1.00 0.00 WAT +ATOM 15313 H2 TIP3 3001 -34.642 28.613 -29.982 1.00 0.00 WAT +ATOM 15314 OH2 TIP3 3002 -36.817 30.041 -37.327 1.00 0.00 WAT +ATOM 15315 H1 TIP3 3002 -37.773 30.182 -37.245 1.00 0.00 WAT +ATOM 15316 H2 TIP3 3002 -36.469 30.920 -37.080 1.00 0.00 WAT +ATOM 15317 OH2 TIP3 3003 -31.863 24.839 -30.988 1.00 0.00 WAT +ATOM 15318 H1 TIP3 3003 -32.137 24.579 -30.091 1.00 0.00 WAT +ATOM 15319 H2 TIP3 3003 -31.115 24.242 -31.152 1.00 0.00 WAT +ATOM 15320 OH2 TIP3 3004 -29.693 26.115 -41.943 1.00 0.00 WAT +ATOM 15321 H1 TIP3 3004 -29.208 25.680 -41.216 1.00 0.00 WAT +ATOM 15322 H2 TIP3 3004 -30.596 26.042 -41.596 1.00 0.00 WAT +ATOM 15323 OH2 TIP3 3005 -28.909 29.417 -28.592 1.00 0.00 WAT +ATOM 15324 H1 TIP3 3005 -29.671 28.977 -29.016 1.00 0.00 WAT +ATOM 15325 H2 TIP3 3005 -28.803 30.218 -29.139 1.00 0.00 WAT +ATOM 15326 OH2 TIP3 3006 -24.807 30.589 -41.599 1.00 0.00 WAT +ATOM 15327 H1 TIP3 3006 -24.106 31.261 -41.447 1.00 0.00 WAT +ATOM 15328 H2 TIP3 3006 -25.604 31.106 -41.357 1.00 0.00 WAT +ATOM 15329 OH2 TIP3 3007 -41.000 16.867 -28.873 1.00 0.00 WAT +ATOM 15330 H1 TIP3 3007 -41.860 17.239 -29.147 1.00 0.00 WAT +ATOM 15331 H2 TIP3 3007 -41.231 16.015 -28.462 1.00 0.00 WAT +ATOM 15332 OH2 TIP3 3008 -28.712 24.731 -39.681 1.00 0.00 WAT +ATOM 15333 H1 TIP3 3008 -28.972 24.032 -39.056 1.00 0.00 WAT +ATOM 15334 H2 TIP3 3008 -27.740 24.711 -39.600 1.00 0.00 WAT +ATOM 15335 OH2 TIP3 3009 -41.285 28.574 -30.455 1.00 0.00 WAT +ATOM 15336 H1 TIP3 3009 -41.088 27.633 -30.350 1.00 0.00 WAT +ATOM 15337 H2 TIP3 3009 -40.953 28.918 -29.618 1.00 0.00 WAT +ATOM 15338 OH2 TIP3 3010 -35.205 27.165 -43.272 1.00 0.00 WAT +ATOM 15339 H1 TIP3 3010 -34.824 26.311 -43.537 1.00 0.00 WAT +ATOM 15340 H2 TIP3 3010 -35.739 26.901 -42.497 1.00 0.00 WAT +ATOM 15341 OH2 TIP3 3011 -36.616 26.718 -40.783 1.00 0.00 WAT +ATOM 15342 H1 TIP3 3011 -36.133 26.206 -40.120 1.00 0.00 WAT +ATOM 15343 H2 TIP3 3011 -36.448 27.640 -40.501 1.00 0.00 WAT +ATOM 15344 OH2 TIP3 3012 -39.835 24.094 -40.382 1.00 0.00 WAT +ATOM 15345 H1 TIP3 3012 -40.583 24.491 -39.871 1.00 0.00 WAT +ATOM 15346 H2 TIP3 3012 -39.409 24.914 -40.678 1.00 0.00 WAT +ATOM 15347 OH2 TIP3 3013 -32.061 16.602 -30.374 1.00 0.00 WAT +ATOM 15348 H1 TIP3 3013 -31.490 16.910 -29.656 1.00 0.00 WAT +ATOM 15349 H2 TIP3 3013 -32.599 15.910 -29.943 1.00 0.00 WAT +ATOM 15350 OH2 TIP3 3014 -31.462 16.166 -39.209 1.00 0.00 WAT +ATOM 15351 H1 TIP3 3014 -31.216 16.687 -39.992 1.00 0.00 WAT +ATOM 15352 H2 TIP3 3014 -31.006 16.642 -38.496 1.00 0.00 WAT +ATOM 15353 OH2 TIP3 3015 -33.686 28.306 -40.281 1.00 0.00 WAT +ATOM 15354 H1 TIP3 3015 -34.471 28.818 -40.029 1.00 0.00 WAT +ATOM 15355 H2 TIP3 3015 -33.173 28.975 -40.753 1.00 0.00 WAT +ATOM 15356 OH2 TIP3 3016 -34.038 18.058 -38.150 1.00 0.00 WAT +ATOM 15357 H1 TIP3 3016 -33.277 18.663 -38.023 1.00 0.00 WAT +ATOM 15358 H2 TIP3 3016 -34.336 17.922 -37.231 1.00 0.00 WAT +ATOM 15359 OH2 TIP3 3017 -33.681 18.954 -28.997 1.00 0.00 WAT +ATOM 15360 H1 TIP3 3017 -33.655 19.501 -28.194 1.00 0.00 WAT +ATOM 15361 H2 TIP3 3017 -33.132 18.205 -28.735 1.00 0.00 WAT +ATOM 15362 OH2 TIP3 3018 -33.380 15.100 -37.214 1.00 0.00 WAT +ATOM 15363 H1 TIP3 3018 -33.635 15.806 -36.589 1.00 0.00 WAT +ATOM 15364 H2 TIP3 3018 -32.706 15.559 -37.753 1.00 0.00 WAT +ATOM 15365 OH2 TIP3 3019 -36.475 29.491 -40.246 1.00 0.00 WAT +ATOM 15366 H1 TIP3 3019 -36.453 30.341 -40.735 1.00 0.00 WAT +ATOM 15367 H2 TIP3 3019 -36.618 29.787 -39.330 1.00 0.00 WAT +ATOM 15368 OH2 TIP3 3020 -37.732 16.157 -40.735 1.00 0.00 WAT +ATOM 15369 H1 TIP3 3020 -37.713 16.936 -40.153 1.00 0.00 WAT +ATOM 15370 H2 TIP3 3020 -36.952 15.660 -40.422 1.00 0.00 WAT +ATOM 15371 OH2 TIP3 3021 -27.409 16.988 -28.106 1.00 0.00 WAT +ATOM 15372 H1 TIP3 3021 -28.366 17.118 -28.258 1.00 0.00 WAT +ATOM 15373 H2 TIP3 3021 -27.140 16.781 -29.012 1.00 0.00 WAT +ATOM 15374 OH2 TIP3 3022 -28.896 20.817 -34.087 1.00 0.00 WAT +ATOM 15375 H1 TIP3 3022 -29.720 20.369 -34.352 1.00 0.00 WAT +ATOM 15376 H2 TIP3 3022 -28.415 20.105 -33.614 1.00 0.00 WAT +ATOM 15377 OH2 TIP3 3023 -39.341 26.980 -41.521 1.00 0.00 WAT +ATOM 15378 H1 TIP3 3023 -38.505 27.284 -41.132 1.00 0.00 WAT +ATOM 15379 H2 TIP3 3023 -39.021 26.572 -42.341 1.00 0.00 WAT +ATOM 15380 OH2 TIP3 3024 -40.991 19.265 -42.673 1.00 0.00 WAT +ATOM 15381 H1 TIP3 3024 -41.031 20.165 -42.295 1.00 0.00 WAT +ATOM 15382 H2 TIP3 3024 -41.918 19.066 -42.879 1.00 0.00 WAT +ATOM 15383 OH2 TIP3 3025 -27.875 29.675 -32.691 1.00 0.00 WAT +ATOM 15384 H1 TIP3 3025 -28.050 30.490 -33.200 1.00 0.00 WAT +ATOM 15385 H2 TIP3 3025 -26.945 29.823 -32.452 1.00 0.00 WAT +ATOM 15386 OH2 TIP3 3026 -40.236 14.076 -33.747 1.00 0.00 WAT +ATOM 15387 H1 TIP3 3026 -40.574 14.093 -34.662 1.00 0.00 WAT +ATOM 15388 H2 TIP3 3026 -40.709 13.305 -33.376 1.00 0.00 WAT +ATOM 15389 OH2 TIP3 3027 -41.341 27.818 -37.445 1.00 0.00 WAT +ATOM 15390 H1 TIP3 3027 -42.273 28.089 -37.406 1.00 0.00 WAT +ATOM 15391 H2 TIP3 3027 -41.053 28.163 -38.299 1.00 0.00 WAT +ATOM 15392 OH2 TIP3 3028 -42.141 30.523 -26.234 1.00 0.00 WAT +ATOM 15393 H1 TIP3 3028 -41.510 30.530 -25.491 1.00 0.00 WAT +ATOM 15394 H2 TIP3 3028 -42.151 29.561 -26.378 1.00 0.00 WAT +ATOM 15395 OH2 TIP3 3029 -37.260 29.651 -24.503 1.00 0.00 WAT +ATOM 15396 H1 TIP3 3029 -36.572 29.001 -24.294 1.00 0.00 WAT +ATOM 15397 H2 TIP3 3029 -37.500 29.385 -25.404 1.00 0.00 WAT +ATOM 15398 OH2 TIP3 3030 -33.050 29.008 -43.319 1.00 0.00 WAT +ATOM 15399 H1 TIP3 3030 -33.861 28.464 -43.270 1.00 0.00 WAT +ATOM 15400 H2 TIP3 3030 -32.396 28.322 -43.519 1.00 0.00 WAT +ATOM 15401 OH2 TIP3 3031 -30.801 27.918 -25.928 1.00 0.00 WAT +ATOM 15402 H1 TIP3 3031 -31.189 27.108 -25.550 1.00 0.00 WAT +ATOM 15403 H2 TIP3 3031 -30.114 28.145 -25.277 1.00 0.00 WAT +ATOM 15404 OH2 TIP3 3032 -29.186 28.732 -42.890 1.00 0.00 WAT +ATOM 15405 H1 TIP3 3032 -28.951 27.911 -42.432 1.00 0.00 WAT +ATOM 15406 H2 TIP3 3032 -28.328 29.105 -43.158 1.00 0.00 WAT +ATOM 15407 OH2 TIP3 3033 -41.998 24.567 -25.610 1.00 0.00 WAT +ATOM 15408 H1 TIP3 3033 -41.898 23.679 -25.984 1.00 0.00 WAT +ATOM 15409 H2 TIP3 3033 -42.867 24.837 -25.941 1.00 0.00 WAT +ATOM 15410 OH2 TIP3 3034 -37.792 24.637 -43.147 1.00 0.00 WAT +ATOM 15411 H1 TIP3 3034 -37.525 24.134 -42.365 1.00 0.00 WAT +ATOM 15412 H2 TIP3 3034 -36.993 24.655 -43.695 1.00 0.00 WAT +ATOM 15413 OH2 TIP3 3035 -35.383 24.411 -25.824 1.00 0.00 WAT +ATOM 15414 H1 TIP3 3035 -35.691 24.745 -26.683 1.00 0.00 WAT +ATOM 15415 H2 TIP3 3035 -35.315 23.446 -25.978 1.00 0.00 WAT +ATOM 15416 OH2 TIP3 3036 -32.449 25.811 -43.476 1.00 0.00 WAT +ATOM 15417 H1 TIP3 3036 -32.298 25.932 -42.521 1.00 0.00 WAT +ATOM 15418 H2 TIP3 3036 -31.798 25.134 -43.710 1.00 0.00 WAT +ATOM 15419 OH2 TIP3 3037 -30.014 24.026 -28.437 1.00 0.00 WAT +ATOM 15420 H1 TIP3 3037 -29.233 24.568 -28.629 1.00 0.00 WAT +ATOM 15421 H2 TIP3 3037 -30.712 24.701 -28.449 1.00 0.00 WAT +ATOM 15422 OH2 TIP3 3038 -41.353 21.252 -25.836 1.00 0.00 WAT +ATOM 15423 H1 TIP3 3038 -40.538 20.728 -25.954 1.00 0.00 WAT +ATOM 15424 H2 TIP3 3038 -41.229 21.583 -24.933 1.00 0.00 WAT +ATOM 15425 OH2 TIP3 3039 -36.740 22.742 -40.906 1.00 0.00 WAT +ATOM 15426 H1 TIP3 3039 -37.356 22.282 -40.314 1.00 0.00 WAT +ATOM 15427 H2 TIP3 3039 -36.388 22.004 -41.440 1.00 0.00 WAT +ATOM 15428 OH2 TIP3 3040 -37.500 20.482 -28.561 1.00 0.00 WAT +ATOM 15429 H1 TIP3 3040 -38.050 21.266 -28.375 1.00 0.00 WAT +ATOM 15430 H2 TIP3 3040 -36.843 20.844 -29.182 1.00 0.00 WAT +ATOM 15431 OH2 TIP3 3041 -35.536 20.805 -42.724 1.00 0.00 WAT +ATOM 15432 H1 TIP3 3041 -35.514 20.600 -43.670 1.00 0.00 WAT +ATOM 15433 H2 TIP3 3041 -34.578 20.805 -42.512 1.00 0.00 WAT +ATOM 15434 OH2 TIP3 3042 -32.194 23.190 -25.002 1.00 0.00 WAT +ATOM 15435 H1 TIP3 3042 -31.297 23.002 -25.315 1.00 0.00 WAT +ATOM 15436 H2 TIP3 3042 -32.442 22.346 -24.600 1.00 0.00 WAT +ATOM 15437 OH2 TIP3 3043 -36.921 17.775 -27.415 1.00 0.00 WAT +ATOM 15438 H1 TIP3 3043 -36.836 17.121 -28.132 1.00 0.00 WAT +ATOM 15439 H2 TIP3 3043 -37.116 18.588 -27.912 1.00 0.00 WAT +ATOM 15440 OH2 TIP3 3044 -36.560 16.214 -29.978 1.00 0.00 WAT +ATOM 15441 H1 TIP3 3044 -36.048 16.770 -30.596 1.00 0.00 WAT +ATOM 15442 H2 TIP3 3044 -37.474 16.274 -30.327 1.00 0.00 WAT +ATOM 15443 OH2 TIP3 3045 -35.012 21.689 -29.569 1.00 0.00 WAT +ATOM 15444 H1 TIP3 3045 -34.171 21.623 -30.047 1.00 0.00 WAT +ATOM 15445 H2 TIP3 3045 -35.328 22.564 -29.868 1.00 0.00 WAT +ATOM 15446 OH2 TIP3 3046 -30.449 19.622 -24.790 1.00 0.00 WAT +ATOM 15447 H1 TIP3 3046 -30.220 18.692 -24.640 1.00 0.00 WAT +ATOM 15448 H2 TIP3 3046 -29.570 20.030 -24.840 1.00 0.00 WAT +ATOM 15449 OH2 TIP3 3047 -29.472 22.416 -26.295 1.00 0.00 WAT +ATOM 15450 H1 TIP3 3047 -29.822 23.030 -26.974 1.00 0.00 WAT +ATOM 15451 H2 TIP3 3047 -28.573 22.276 -26.655 1.00 0.00 WAT +ATOM 15452 OH2 TIP3 3048 -38.805 19.680 -25.662 1.00 0.00 WAT +ATOM 15453 H1 TIP3 3048 -39.303 18.843 -25.642 1.00 0.00 WAT +ATOM 15454 H2 TIP3 3048 -37.970 19.407 -26.072 1.00 0.00 WAT +ATOM 15455 OH2 TIP3 3049 -35.793 13.538 -29.704 1.00 0.00 WAT +ATOM 15456 H1 TIP3 3049 -35.977 14.494 -29.834 1.00 0.00 WAT +ATOM 15457 H2 TIP3 3049 -36.542 13.140 -30.187 1.00 0.00 WAT +ATOM 15458 OH2 TIP3 3050 -34.583 18.145 -25.826 1.00 0.00 WAT +ATOM 15459 H1 TIP3 3050 -34.924 17.928 -24.940 1.00 0.00 WAT +ATOM 15460 H2 TIP3 3050 -35.382 17.951 -26.357 1.00 0.00 WAT +ATOM 15461 OH2 TIP3 3051 -32.051 17.172 -26.977 1.00 0.00 WAT +ATOM 15462 H1 TIP3 3051 -32.925 17.244 -26.550 1.00 0.00 WAT +ATOM 15463 H2 TIP3 3051 -31.585 16.566 -26.367 1.00 0.00 WAT +ATOM 15464 OH2 TIP3 3052 -30.214 15.677 -25.237 1.00 0.00 WAT +ATOM 15465 H1 TIP3 3052 -30.354 14.722 -25.075 1.00 0.00 WAT +ATOM 15466 H2 TIP3 3052 -30.383 16.078 -24.364 1.00 0.00 WAT +ATOM 15467 OH2 TIP3 3053 -40.169 17.122 -25.802 1.00 0.00 WAT +ATOM 15468 H1 TIP3 3053 -40.148 16.390 -26.438 1.00 0.00 WAT +ATOM 15469 H2 TIP3 3053 -40.307 16.656 -24.954 1.00 0.00 WAT +ATOM 15470 OH2 TIP3 3054 -36.012 13.074 -26.805 1.00 0.00 WAT +ATOM 15471 H1 TIP3 3054 -35.434 12.296 -26.725 1.00 0.00 WAT +ATOM 15472 H2 TIP3 3054 -36.007 13.217 -27.768 1.00 0.00 WAT +ATOM 15473 OH2 TIP3 3055 -35.046 14.939 -24.971 1.00 0.00 WAT +ATOM 15474 H1 TIP3 3055 -35.375 14.332 -25.665 1.00 0.00 WAT +ATOM 15475 H2 TIP3 3055 -35.753 15.599 -24.913 1.00 0.00 WAT +ATOM 15476 OH2 TIP3 3056 -35.935 31.966 -41.722 1.00 0.00 WAT +ATOM 15477 H1 TIP3 3056 -34.984 32.125 -41.629 1.00 0.00 WAT +ATOM 15478 H2 TIP3 3056 -36.193 32.574 -42.434 1.00 0.00 WAT +ATOM 15479 OH2 TIP3 3057 -41.896 26.410 -42.328 1.00 0.00 WAT +ATOM 15480 H1 TIP3 3057 -41.024 26.617 -41.930 1.00 0.00 WAT +ATOM 15481 H2 TIP3 3057 -41.721 25.587 -42.798 1.00 0.00 WAT +ATOM 15482 OH2 TIP3 3058 -42.753 29.654 -35.236 1.00 0.00 WAT +ATOM 15483 H1 TIP3 3058 -42.771 28.757 -34.859 1.00 0.00 WAT +ATOM 15484 H2 TIP3 3058 -42.427 30.153 -34.474 1.00 0.00 WAT +ATOM 15485 OH2 TIP3 3059 -25.170 30.855 -32.183 1.00 0.00 WAT +ATOM 15486 H1 TIP3 3059 -24.977 30.831 -31.234 1.00 0.00 WAT +ATOM 15487 H2 TIP3 3059 -24.315 31.130 -32.545 1.00 0.00 WAT +ATOM 15488 OH2 TIP3 3060 -25.278 30.296 -29.302 1.00 0.00 WAT +ATOM 15489 H1 TIP3 3060 -25.761 29.536 -29.676 1.00 0.00 WAT +ATOM 15490 H2 TIP3 3060 -24.681 29.839 -28.690 1.00 0.00 WAT +ATOM 15491 OH2 TIP3 3061 -27.260 25.710 -25.014 1.00 0.00 WAT +ATOM 15492 H1 TIP3 3061 -28.149 25.806 -24.632 1.00 0.00 WAT +ATOM 15493 H2 TIP3 3061 -26.813 26.525 -24.732 1.00 0.00 WAT +ATOM 15494 OH2 TIP3 3062 -25.863 24.563 -39.302 1.00 0.00 WAT +ATOM 15495 H1 TIP3 3062 -24.966 24.930 -39.172 1.00 0.00 WAT +ATOM 15496 H2 TIP3 3062 -25.893 23.926 -38.562 1.00 0.00 WAT +ATOM 15497 OH2 TIP3 3063 -25.406 22.561 -37.320 1.00 0.00 WAT +ATOM 15498 H1 TIP3 3063 -26.067 22.001 -36.870 1.00 0.00 WAT +ATOM 15499 H2 TIP3 3063 -24.719 22.697 -36.639 1.00 0.00 WAT +ATOM 15500 OH2 TIP3 3064 -25.676 25.077 -32.336 1.00 0.00 WAT +ATOM 15501 H1 TIP3 3064 -25.053 24.601 -32.906 1.00 0.00 WAT +ATOM 15502 H2 TIP3 3064 -25.538 25.997 -32.624 1.00 0.00 WAT +ATOM 15503 OH2 TIP3 3065 -26.963 27.979 -30.084 1.00 0.00 WAT +ATOM 15504 H1 TIP3 3065 -27.691 28.407 -29.600 1.00 0.00 WAT +ATOM 15505 H2 TIP3 3065 -27.419 27.639 -30.879 1.00 0.00 WAT +ATOM 15506 OH2 TIP3 3066 -25.150 22.212 -41.063 1.00 0.00 WAT +ATOM 15507 H1 TIP3 3066 -25.738 22.530 -41.765 1.00 0.00 WAT +ATOM 15508 H2 TIP3 3066 -25.300 22.899 -40.392 1.00 0.00 WAT +ATOM 15509 OH2 TIP3 3067 -26.929 19.587 -42.183 1.00 0.00 WAT +ATOM 15510 H1 TIP3 3067 -26.627 20.374 -42.668 1.00 0.00 WAT +ATOM 15511 H2 TIP3 3067 -26.447 18.886 -42.632 1.00 0.00 WAT +ATOM 15512 OH2 TIP3 3068 -27.474 20.704 -36.500 1.00 0.00 WAT +ATOM 15513 H1 TIP3 3068 -27.556 19.751 -36.657 1.00 0.00 WAT +ATOM 15514 H2 TIP3 3068 -27.850 20.805 -35.604 1.00 0.00 WAT +ATOM 15515 OH2 TIP3 3069 -42.564 23.207 -32.534 1.00 0.00 WAT +ATOM 15516 H1 TIP3 3069 -42.221 23.449 -33.406 1.00 0.00 WAT +ATOM 15517 H2 TIP3 3069 -41.767 22.796 -32.131 1.00 0.00 WAT +ATOM 15518 OH2 TIP3 3070 -26.863 22.637 -27.356 1.00 0.00 WAT +ATOM 15519 H1 TIP3 3070 -26.116 22.035 -27.181 1.00 0.00 WAT +ATOM 15520 H2 TIP3 3070 -26.417 23.472 -27.556 1.00 0.00 WAT +ATOM 15521 OH2 TIP3 3071 -25.301 20.741 -26.127 1.00 0.00 WAT +ATOM 15522 H1 TIP3 3071 -26.098 20.216 -26.359 1.00 0.00 WAT +ATOM 15523 H2 TIP3 3071 -24.603 20.061 -26.168 1.00 0.00 WAT +ATOM 15524 OH2 TIP3 3072 -27.653 16.331 -43.388 1.00 0.00 WAT +ATOM 15525 H1 TIP3 3072 -27.095 16.251 -42.610 1.00 0.00 WAT +ATOM 15526 H2 TIP3 3072 -28.545 16.093 -43.092 1.00 0.00 WAT +ATOM 15527 OH2 TIP3 3073 -27.674 18.240 -38.362 1.00 0.00 WAT +ATOM 15528 H1 TIP3 3073 -27.382 17.304 -38.286 1.00 0.00 WAT +ATOM 15529 H2 TIP3 3073 -26.866 18.643 -38.723 1.00 0.00 WAT +ATOM 15530 OH2 TIP3 3074 -27.369 18.811 -32.888 1.00 0.00 WAT +ATOM 15531 H1 TIP3 3074 -26.398 18.927 -32.925 1.00 0.00 WAT +ATOM 15532 H2 TIP3 3074 -27.506 18.865 -31.926 1.00 0.00 WAT +ATOM 15533 OH2 TIP3 3075 -27.209 19.513 -30.079 1.00 0.00 WAT +ATOM 15534 H1 TIP3 3075 -28.055 19.911 -29.799 1.00 0.00 WAT +ATOM 15535 H2 TIP3 3075 -26.675 20.306 -30.280 1.00 0.00 WAT +ATOM 15536 OH2 TIP3 3076 -42.849 18.154 -26.470 1.00 0.00 WAT +ATOM 15537 H1 TIP3 3076 -41.954 17.777 -26.431 1.00 0.00 WAT +ATOM 15538 H2 TIP3 3076 -43.427 17.409 -26.253 1.00 0.00 WAT +ATOM 15539 OH2 TIP3 3077 -24.623 13.680 -24.763 1.00 0.00 WAT +ATOM 15540 H1 TIP3 3077 -24.229 12.974 -25.310 1.00 0.00 WAT +ATOM 15541 H2 TIP3 3077 -24.612 14.441 -25.374 1.00 0.00 WAT +ATOM 15542 OH2 TIP3 3078 -27.054 15.531 -38.287 1.00 0.00 WAT +ATOM 15543 H1 TIP3 3078 -26.971 15.142 -37.398 1.00 0.00 WAT +ATOM 15544 H2 TIP3 3078 -27.840 15.050 -38.629 1.00 0.00 WAT +ATOM 15545 OH2 TIP3 3079 -41.948 16.709 -33.285 1.00 0.00 WAT +ATOM 15546 H1 TIP3 3079 -41.593 15.810 -33.317 1.00 0.00 WAT +ATOM 15547 H2 TIP3 3079 -41.154 17.245 -33.111 1.00 0.00 WAT +ATOM 15548 OH2 TIP3 3080 -43.339 19.330 -32.450 1.00 0.00 WAT +ATOM 15549 H1 TIP3 3080 -42.940 18.824 -33.172 1.00 0.00 WAT +ATOM 15550 H2 TIP3 3080 -43.165 20.237 -32.725 1.00 0.00 WAT +ATOM 15551 OH2 TIP3 3081 -25.270 15.705 -26.544 1.00 0.00 WAT +ATOM 15552 H1 TIP3 3081 -26.150 16.121 -26.493 1.00 0.00 WAT +ATOM 15553 H2 TIP3 3081 -25.383 15.165 -27.345 1.00 0.00 WAT +ATOM 15554 OH2 TIP3 3082 -25.116 15.863 -41.747 1.00 0.00 WAT +ATOM 15555 H1 TIP3 3082 -24.862 15.179 -42.377 1.00 0.00 WAT +ATOM 15556 H2 TIP3 3082 -24.299 16.388 -41.698 1.00 0.00 WAT +ATOM 15557 OH2 TIP3 3083 -43.144 15.454 -38.945 1.00 0.00 WAT +ATOM 15558 H1 TIP3 3083 -43.988 15.761 -39.307 1.00 0.00 WAT +ATOM 15559 H2 TIP3 3083 -42.548 16.152 -39.301 1.00 0.00 WAT +ATOM 15560 OH2 TIP3 3084 -28.283 30.855 -36.407 1.00 0.00 WAT +ATOM 15561 H1 TIP3 3084 -27.790 30.620 -37.209 1.00 0.00 WAT +ATOM 15562 H2 TIP3 3084 -27.600 31.278 -35.872 1.00 0.00 WAT +ATOM 15563 OH2 TIP3 3085 -42.913 14.385 -30.586 1.00 0.00 WAT +ATOM 15564 H1 TIP3 3085 -43.593 14.321 -29.875 1.00 0.00 WAT +ATOM 15565 H2 TIP3 3085 -43.338 14.913 -31.279 1.00 0.00 WAT +ATOM 15566 OH2 TIP3 3086 -41.176 27.944 -25.891 1.00 0.00 WAT +ATOM 15567 H1 TIP3 3086 -41.693 27.318 -26.407 1.00 0.00 WAT +ATOM 15568 H2 TIP3 3086 -41.329 27.607 -24.978 1.00 0.00 WAT +ATOM 15569 OH2 TIP3 3087 -38.018 28.601 -29.974 1.00 0.00 WAT +ATOM 15570 H1 TIP3 3087 -38.334 29.437 -30.362 1.00 0.00 WAT +ATOM 15571 H2 TIP3 3087 -37.061 28.690 -30.158 1.00 0.00 WAT +ATOM 15572 OH2 TIP3 3088 -33.516 29.885 -26.987 1.00 0.00 WAT +ATOM 15573 H1 TIP3 3088 -33.368 29.731 -26.040 1.00 0.00 WAT +ATOM 15574 H2 TIP3 3088 -32.690 30.346 -27.242 1.00 0.00 WAT +ATOM 15575 OH2 TIP3 3089 -31.236 31.346 -27.743 1.00 0.00 WAT +ATOM 15576 H1 TIP3 3089 -30.540 30.714 -27.976 1.00 0.00 WAT +ATOM 15577 H2 TIP3 3089 -30.924 31.661 -26.873 1.00 0.00 WAT +ATOM 15578 OH2 TIP3 3090 -26.485 13.923 -28.583 1.00 0.00 WAT +ATOM 15579 H1 TIP3 3090 -27.223 14.204 -29.149 1.00 0.00 WAT +ATOM 15580 H2 TIP3 3090 -26.262 13.035 -28.935 1.00 0.00 WAT +ATOM 15581 OH2 TIP3 3091 -40.696 31.645 -29.739 1.00 0.00 WAT +ATOM 15582 H1 TIP3 3091 -41.370 32.157 -30.224 1.00 0.00 WAT +ATOM 15583 H2 TIP3 3091 -41.011 31.733 -28.833 1.00 0.00 WAT +ATOM 15584 OH2 TIP3 3092 -38.181 31.315 -31.099 1.00 0.00 WAT +ATOM 15585 H1 TIP3 3092 -39.047 31.507 -30.686 1.00 0.00 WAT +ATOM 15586 H2 TIP3 3092 -38.143 31.985 -31.805 1.00 0.00 WAT +ATOM 15587 OH2 TIP3 3093 -33.418 31.311 -31.549 1.00 0.00 WAT +ATOM 15588 H1 TIP3 3093 -33.789 31.757 -32.331 1.00 0.00 WAT +ATOM 15589 H2 TIP3 3093 -33.325 32.058 -30.929 1.00 0.00 WAT +ATOM 15590 OH2 TIP3 3094 -31.084 30.021 -30.628 1.00 0.00 WAT +ATOM 15591 H1 TIP3 3094 -31.925 30.390 -30.960 1.00 0.00 WAT +ATOM 15592 H2 TIP3 3094 -30.509 30.800 -30.657 1.00 0.00 WAT +ATOM 15593 OH2 TIP3 3095 -28.560 31.753 -30.449 1.00 0.00 WAT +ATOM 15594 H1 TIP3 3095 -28.594 32.708 -30.656 1.00 0.00 WAT +ATOM 15595 H2 TIP3 3095 -28.259 31.400 -31.303 1.00 0.00 WAT +ATOM 15596 OH2 TIP3 3096 -41.249 30.405 -32.761 1.00 0.00 WAT +ATOM 15597 H1 TIP3 3096 -41.335 29.947 -31.900 1.00 0.00 WAT +ATOM 15598 H2 TIP3 3096 -40.494 29.927 -33.151 1.00 0.00 WAT +ATOM 15599 OH2 TIP3 3097 -39.104 29.138 -34.242 1.00 0.00 WAT +ATOM 15600 H1 TIP3 3097 -39.260 28.209 -33.977 1.00 0.00 WAT +ATOM 15601 H2 TIP3 3097 -38.194 29.288 -33.923 1.00 0.00 WAT +ATOM 15602 OH2 TIP3 3098 -36.300 29.559 -33.395 1.00 0.00 WAT +ATOM 15603 H1 TIP3 3098 -36.119 28.631 -33.622 1.00 0.00 WAT +ATOM 15604 H2 TIP3 3098 -36.235 29.523 -32.428 1.00 0.00 WAT +ATOM 15605 OH2 TIP3 3099 -32.949 15.455 -34.069 1.00 0.00 WAT +ATOM 15606 H1 TIP3 3099 -33.623 14.776 -33.882 1.00 0.00 WAT +ATOM 15607 H2 TIP3 3099 -32.390 15.012 -34.724 1.00 0.00 WAT +ATOM 15608 OH2 TIP3 3100 -28.012 13.443 -33.688 1.00 0.00 WAT +ATOM 15609 H1 TIP3 3100 -27.242 13.916 -34.052 1.00 0.00 WAT +ATOM 15610 H2 TIP3 3100 -28.750 13.815 -34.202 1.00 0.00 WAT +ATOM 15611 OH2 TIP3 3101 -25.952 14.561 -35.761 1.00 0.00 WAT +ATOM 15612 H1 TIP3 3101 -25.229 14.142 -36.263 1.00 0.00 WAT +ATOM 15613 H2 TIP3 3101 -25.619 15.478 -35.673 1.00 0.00 WAT +ATOM 15614 OH2 TIP3 3102 -41.066 14.025 -36.539 1.00 0.00 WAT +ATOM 15615 H1 TIP3 3102 -41.794 13.763 -37.117 1.00 0.00 WAT +ATOM 15616 H2 TIP3 3102 -40.452 13.278 -36.658 1.00 0.00 WAT +ATOM 15617 OH2 TIP3 3103 -41.799 13.680 -40.804 1.00 0.00 WAT +ATOM 15618 H1 TIP3 3103 -41.303 14.338 -41.337 1.00 0.00 WAT +ATOM 15619 H2 TIP3 3103 -42.289 14.264 -40.198 1.00 0.00 WAT +ATOM 15620 OH2 TIP3 3104 -36.140 13.964 -36.597 1.00 0.00 WAT +ATOM 15621 H1 TIP3 3104 -35.232 14.268 -36.750 1.00 0.00 WAT +ATOM 15622 H2 TIP3 3104 -36.152 13.861 -35.640 1.00 0.00 WAT +ATOM 15623 OH2 TIP3 3105 -30.505 14.020 -35.212 1.00 0.00 WAT +ATOM 15624 H1 TIP3 3105 -30.324 13.944 -36.157 1.00 0.00 WAT +ATOM 15625 H2 TIP3 3105 -30.936 13.168 -35.007 1.00 0.00 WAT +ATOM 15626 OH2 TIP3 3106 -29.356 14.333 -39.151 1.00 0.00 WAT +ATOM 15627 H1 TIP3 3106 -30.109 14.874 -39.458 1.00 0.00 WAT +ATOM 15628 H2 TIP3 3106 -29.786 13.461 -39.184 1.00 0.00 WAT +ATOM 15629 OH2 TIP3 3107 -41.795 29.791 -39.821 1.00 0.00 WAT +ATOM 15630 H1 TIP3 3107 -42.533 29.640 -40.427 1.00 0.00 WAT +ATOM 15631 H2 TIP3 3107 -41.903 30.725 -39.627 1.00 0.00 WAT +ATOM 15632 OH2 TIP3 3108 -40.112 15.464 -42.312 1.00 0.00 WAT +ATOM 15633 H1 TIP3 3108 -39.573 14.849 -42.826 1.00 0.00 WAT +ATOM 15634 H2 TIP3 3108 -39.434 15.911 -41.774 1.00 0.00 WAT +ATOM 15635 OH2 TIP3 3109 -35.037 15.629 -39.585 1.00 0.00 WAT +ATOM 15636 H1 TIP3 3109 -34.648 15.071 -38.896 1.00 0.00 WAT +ATOM 15637 H2 TIP3 3109 -34.772 16.506 -39.263 1.00 0.00 WAT +ATOM 15638 OH2 TIP3 3110 -32.970 31.236 -41.448 1.00 0.00 WAT +ATOM 15639 H1 TIP3 3110 -31.999 31.372 -41.497 1.00 0.00 WAT +ATOM 15640 H2 TIP3 3110 -33.086 30.641 -42.212 1.00 0.00 WAT +ATOM 15641 OH2 TIP3 3111 -26.360 30.440 -38.840 1.00 0.00 WAT +ATOM 15642 H1 TIP3 3111 -26.652 29.608 -39.266 1.00 0.00 WAT +ATOM 15643 H2 TIP3 3111 -26.568 31.103 -39.529 1.00 0.00 WAT +ATOM 15644 OH2 TIP3 3112 -40.774 14.384 -27.065 1.00 0.00 WAT +ATOM 15645 H1 TIP3 3112 -41.243 13.656 -26.624 1.00 0.00 WAT +ATOM 15646 H2 TIP3 3112 -39.873 14.259 -26.716 1.00 0.00 WAT +ATOM 15647 OH2 TIP3 3113 -38.455 13.776 -25.289 1.00 0.00 WAT +ATOM 15648 H1 TIP3 3113 -37.627 13.415 -25.664 1.00 0.00 WAT +ATOM 15649 H2 TIP3 3113 -38.781 12.999 -24.798 1.00 0.00 WAT +ATOM 15650 OH2 TIP3 3114 -39.673 30.652 -42.500 1.00 0.00 WAT +ATOM 15651 H1 TIP3 3114 -40.199 30.968 -41.758 1.00 0.00 WAT +ATOM 15652 H2 TIP3 3114 -39.174 29.918 -42.132 1.00 0.00 WAT +ATOM 15653 OH2 TIP3 3115 -30.329 12.877 -25.163 1.00 0.00 WAT +ATOM 15654 H1 TIP3 3115 -30.324 12.445 -24.288 1.00 0.00 WAT +ATOM 15655 H2 TIP3 3115 -29.380 12.856 -25.390 1.00 0.00 WAT +ATOM 15656 OH2 TIP3 3116 -26.961 29.217 -26.392 1.00 0.00 WAT +ATOM 15657 H1 TIP3 3116 -27.684 29.043 -27.021 1.00 0.00 WAT +ATOM 15658 H2 TIP3 3116 -27.106 30.165 -26.209 1.00 0.00 WAT +ATOM 15659 OH2 TIP3 3117 -12.728 22.929 -36.316 1.00 0.00 WAT +ATOM 15660 H1 TIP3 3117 -12.770 23.879 -36.126 1.00 0.00 WAT +ATOM 15661 H2 TIP3 3117 -13.525 22.797 -36.847 1.00 0.00 WAT +ATOM 15662 OH2 TIP3 3118 -13.852 22.326 -33.225 1.00 0.00 WAT +ATOM 15663 H1 TIP3 3118 -13.903 21.801 -32.410 1.00 0.00 WAT +ATOM 15664 H2 TIP3 3118 -14.185 21.699 -33.883 1.00 0.00 WAT +ATOM 15665 OH2 TIP3 3119 -21.411 21.920 -31.528 1.00 0.00 WAT +ATOM 15666 H1 TIP3 3119 -21.421 21.184 -30.889 1.00 0.00 WAT +ATOM 15667 H2 TIP3 3119 -20.709 22.478 -31.164 1.00 0.00 WAT +ATOM 15668 OH2 TIP3 3120 -10.187 25.061 -34.884 1.00 0.00 WAT +ATOM 15669 H1 TIP3 3120 -10.591 24.381 -34.328 1.00 0.00 WAT +ATOM 15670 H2 TIP3 3120 -9.966 25.731 -34.222 1.00 0.00 WAT +ATOM 15671 OH2 TIP3 3121 -20.776 26.543 -32.987 1.00 0.00 WAT +ATOM 15672 H1 TIP3 3121 -20.988 25.629 -33.269 1.00 0.00 WAT +ATOM 15673 H2 TIP3 3121 -19.819 26.456 -32.845 1.00 0.00 WAT +ATOM 15674 OH2 TIP3 3122 -23.769 19.953 -37.622 1.00 0.00 WAT +ATOM 15675 H1 TIP3 3122 -24.151 20.839 -37.522 1.00 0.00 WAT +ATOM 15676 H2 TIP3 3122 -24.474 19.491 -38.095 1.00 0.00 WAT +ATOM 15677 OH2 TIP3 3123 -22.971 22.417 -35.791 1.00 0.00 WAT +ATOM 15678 H1 TIP3 3123 -22.806 21.594 -35.293 1.00 0.00 WAT +ATOM 15679 H2 TIP3 3123 -22.125 22.550 -36.239 1.00 0.00 WAT +ATOM 15680 OH2 TIP3 3124 -12.944 30.568 -34.148 1.00 0.00 WAT +ATOM 15681 H1 TIP3 3124 -12.841 29.825 -34.767 1.00 0.00 WAT +ATOM 15682 H2 TIP3 3124 -13.348 30.124 -33.393 1.00 0.00 WAT +ATOM 15683 OH2 TIP3 3125 -15.406 24.835 -32.624 1.00 0.00 WAT +ATOM 15684 H1 TIP3 3125 -15.068 24.140 -33.212 1.00 0.00 WAT +ATOM 15685 H2 TIP3 3125 -14.594 25.010 -32.110 1.00 0.00 WAT +ATOM 15686 OH2 TIP3 3126 -6.693 16.373 -32.027 1.00 0.00 WAT +ATOM 15687 H1 TIP3 3126 -6.480 16.971 -31.290 1.00 0.00 WAT +ATOM 15688 H2 TIP3 3126 -6.096 16.714 -32.716 1.00 0.00 WAT +ATOM 15689 OH2 TIP3 3127 -12.098 19.180 -32.121 1.00 0.00 WAT +ATOM 15690 H1 TIP3 3127 -11.965 18.218 -32.083 1.00 0.00 WAT +ATOM 15691 H2 TIP3 3127 -12.200 19.320 -33.076 1.00 0.00 WAT +ATOM 15692 OH2 TIP3 3128 -19.136 17.198 -35.051 1.00 0.00 WAT +ATOM 15693 H1 TIP3 3128 -18.996 18.054 -35.503 1.00 0.00 WAT +ATOM 15694 H2 TIP3 3128 -19.496 16.678 -35.794 1.00 0.00 WAT +ATOM 15695 OH2 TIP3 3129 -11.304 17.352 -36.740 1.00 0.00 WAT +ATOM 15696 H1 TIP3 3129 -10.724 16.922 -36.075 1.00 0.00 WAT +ATOM 15697 H2 TIP3 3129 -10.645 17.790 -37.298 1.00 0.00 WAT +ATOM 15698 OH2 TIP3 3130 -22.453 19.918 -34.534 1.00 0.00 WAT +ATOM 15699 H1 TIP3 3130 -21.814 19.449 -33.973 1.00 0.00 WAT +ATOM 15700 H2 TIP3 3130 -22.358 19.442 -35.378 1.00 0.00 WAT +ATOM 15701 OH2 TIP3 3131 -17.056 21.316 -35.092 1.00 0.00 WAT +ATOM 15702 H1 TIP3 3131 -16.365 20.759 -34.684 1.00 0.00 WAT +ATOM 15703 H2 TIP3 3131 -17.571 20.652 -35.586 1.00 0.00 WAT +ATOM 15704 OH2 TIP3 3132 -6.026 17.742 -29.523 1.00 0.00 WAT +ATOM 15705 H1 TIP3 3132 -6.624 18.461 -29.797 1.00 0.00 WAT +ATOM 15706 H2 TIP3 3132 -6.189 17.727 -28.571 1.00 0.00 WAT +ATOM 15707 OH2 TIP3 3133 -20.329 15.985 -30.882 1.00 0.00 WAT +ATOM 15708 H1 TIP3 3133 -20.726 16.486 -31.610 1.00 0.00 WAT +ATOM 15709 H2 TIP3 3133 -20.994 16.132 -30.179 1.00 0.00 WAT +ATOM 15710 OH2 TIP3 3134 -12.811 25.933 -37.527 1.00 0.00 WAT +ATOM 15711 H1 TIP3 3134 -13.275 25.613 -38.304 1.00 0.00 WAT +ATOM 15712 H2 TIP3 3134 -13.341 26.702 -37.266 1.00 0.00 WAT +ATOM 15713 OH2 TIP3 3135 -17.404 23.868 -30.757 1.00 0.00 WAT +ATOM 15714 H1 TIP3 3135 -18.134 24.474 -30.507 1.00 0.00 WAT +ATOM 15715 H2 TIP3 3135 -16.786 24.472 -31.210 1.00 0.00 WAT +ATOM 15716 OH2 TIP3 3136 -9.461 16.618 -34.703 1.00 0.00 WAT +ATOM 15717 H1 TIP3 3136 -9.846 16.004 -34.064 1.00 0.00 WAT +ATOM 15718 H2 TIP3 3136 -8.945 17.207 -34.127 1.00 0.00 WAT +ATOM 15719 OH2 TIP3 3137 -20.735 18.029 -32.945 1.00 0.00 WAT +ATOM 15720 H1 TIP3 3137 -20.092 18.613 -32.490 1.00 0.00 WAT +ATOM 15721 H2 TIP3 3137 -20.162 17.664 -33.656 1.00 0.00 WAT +ATOM 15722 OH2 TIP3 3138 -19.421 25.733 -30.017 1.00 0.00 WAT +ATOM 15723 H1 TIP3 3138 -19.437 26.638 -30.379 1.00 0.00 WAT +ATOM 15724 H2 TIP3 3138 -20.292 25.716 -29.576 1.00 0.00 WAT +ATOM 15725 OH2 TIP3 3139 -23.120 25.468 -39.171 1.00 0.00 WAT +ATOM 15726 H1 TIP3 3139 -23.290 25.910 -40.025 1.00 0.00 WAT +ATOM 15727 H2 TIP3 3139 -22.938 26.212 -38.560 1.00 0.00 WAT +ATOM 15728 OH2 TIP3 3140 -9.647 26.890 -32.401 1.00 0.00 WAT +ATOM 15729 H1 TIP3 3140 -10.618 27.013 -32.356 1.00 0.00 WAT +ATOM 15730 H2 TIP3 3140 -9.380 27.763 -32.744 1.00 0.00 WAT +ATOM 15731 OH2 TIP3 3141 -9.307 15.778 -30.863 1.00 0.00 WAT +ATOM 15732 H1 TIP3 3141 -10.087 16.154 -31.315 1.00 0.00 WAT +ATOM 15733 H2 TIP3 3141 -8.597 15.945 -31.509 1.00 0.00 WAT +ATOM 15734 OH2 TIP3 3142 -16.198 13.477 -33.809 1.00 0.00 WAT +ATOM 15735 H1 TIP3 3142 -16.434 12.531 -33.857 1.00 0.00 WAT +ATOM 15736 H2 TIP3 3142 -17.021 13.866 -33.443 1.00 0.00 WAT +ATOM 15737 OH2 TIP3 3143 -11.382 28.749 -35.934 1.00 0.00 WAT +ATOM 15738 H1 TIP3 3143 -10.814 28.037 -36.268 1.00 0.00 WAT +ATOM 15739 H2 TIP3 3143 -10.777 29.510 -35.919 1.00 0.00 WAT +ATOM 15740 OH2 TIP3 3144 -9.794 26.599 -37.300 1.00 0.00 WAT +ATOM 15741 H1 TIP3 3144 -10.513 26.251 -37.846 1.00 0.00 WAT +ATOM 15742 H2 TIP3 3144 -9.910 26.075 -36.484 1.00 0.00 WAT +ATOM 15743 OH2 TIP3 3145 -8.331 25.510 -28.703 1.00 0.00 WAT +ATOM 15744 H1 TIP3 3145 -8.471 24.886 -29.437 1.00 0.00 WAT +ATOM 15745 H2 TIP3 3145 -8.264 26.364 -29.174 1.00 0.00 WAT +ATOM 15746 OH2 TIP3 3146 -14.064 22.388 -39.049 1.00 0.00 WAT +ATOM 15747 H1 TIP3 3146 -14.744 23.019 -39.360 1.00 0.00 WAT +ATOM 15748 H2 TIP3 3146 -13.363 22.508 -39.706 1.00 0.00 WAT +ATOM 15749 OH2 TIP3 3147 -13.888 20.653 -42.075 1.00 0.00 WAT +ATOM 15750 H1 TIP3 3147 -13.219 20.953 -41.438 1.00 0.00 WAT +ATOM 15751 H2 TIP3 3147 -13.343 20.040 -42.617 1.00 0.00 WAT +ATOM 15752 OH2 TIP3 3148 -6.600 21.704 -30.765 1.00 0.00 WAT +ATOM 15753 H1 TIP3 3148 -7.336 22.343 -30.680 1.00 0.00 WAT +ATOM 15754 H2 TIP3 3148 -6.137 22.059 -31.548 1.00 0.00 WAT +ATOM 15755 OH2 TIP3 3149 -10.572 22.426 -37.945 1.00 0.00 WAT +ATOM 15756 H1 TIP3 3149 -11.273 22.647 -37.288 1.00 0.00 WAT +ATOM 15757 H2 TIP3 3149 -10.004 21.844 -37.411 1.00 0.00 WAT +ATOM 15758 OH2 TIP3 3150 -10.750 20.955 -29.095 1.00 0.00 WAT +ATOM 15759 H1 TIP3 3150 -10.691 21.778 -28.581 1.00 0.00 WAT +ATOM 15760 H2 TIP3 3150 -11.393 21.250 -29.766 1.00 0.00 WAT +ATOM 15761 OH2 TIP3 3151 -19.009 23.183 -36.147 1.00 0.00 WAT +ATOM 15762 H1 TIP3 3151 -19.299 22.761 -36.978 1.00 0.00 WAT +ATOM 15763 H2 TIP3 3151 -18.325 22.567 -35.833 1.00 0.00 WAT +ATOM 15764 OH2 TIP3 3152 -17.714 26.501 -33.389 1.00 0.00 WAT +ATOM 15765 H1 TIP3 3152 -17.718 26.280 -34.330 1.00 0.00 WAT +ATOM 15766 H2 TIP3 3152 -16.860 26.133 -33.097 1.00 0.00 WAT +ATOM 15767 OH2 TIP3 3153 -18.384 21.983 -32.655 1.00 0.00 WAT +ATOM 15768 H1 TIP3 3153 -17.832 22.052 -33.457 1.00 0.00 WAT +ATOM 15769 H2 TIP3 3153 -18.016 22.685 -32.084 1.00 0.00 WAT +ATOM 15770 OH2 TIP3 3154 -12.407 27.488 -32.070 1.00 0.00 WAT +ATOM 15771 H1 TIP3 3154 -12.444 28.199 -31.407 1.00 0.00 WAT +ATOM 15772 H2 TIP3 3154 -12.681 26.697 -31.575 1.00 0.00 WAT +ATOM 15773 OH2 TIP3 3155 -17.576 26.285 -27.812 1.00 0.00 WAT +ATOM 15774 H1 TIP3 3155 -18.064 26.989 -27.345 1.00 0.00 WAT +ATOM 15775 H2 TIP3 3155 -18.203 26.067 -28.528 1.00 0.00 WAT +ATOM 15776 OH2 TIP3 3156 -11.496 21.867 -40.564 1.00 0.00 WAT +ATOM 15777 H1 TIP3 3156 -11.094 22.140 -39.712 1.00 0.00 WAT +ATOM 15778 H2 TIP3 3156 -10.909 22.320 -41.197 1.00 0.00 WAT +ATOM 15779 OH2 TIP3 3157 -20.622 22.689 -28.692 1.00 0.00 WAT +ATOM 15780 H1 TIP3 3157 -20.566 23.302 -27.935 1.00 0.00 WAT +ATOM 15781 H2 TIP3 3157 -21.585 22.597 -28.791 1.00 0.00 WAT +ATOM 15782 OH2 TIP3 3158 -19.444 28.469 -27.032 1.00 0.00 WAT +ATOM 15783 H1 TIP3 3158 -19.550 28.562 -27.996 1.00 0.00 WAT +ATOM 15784 H2 TIP3 3158 -20.337 28.223 -26.732 1.00 0.00 WAT +ATOM 15785 OH2 TIP3 3159 -8.080 13.523 -40.773 1.00 0.00 WAT +ATOM 15786 H1 TIP3 3159 -9.016 13.667 -40.540 1.00 0.00 WAT +ATOM 15787 H2 TIP3 3159 -7.785 14.421 -40.999 1.00 0.00 WAT +ATOM 15788 OH2 TIP3 3160 -20.059 21.930 -38.629 1.00 0.00 WAT +ATOM 15789 H1 TIP3 3160 -20.286 22.697 -39.186 1.00 0.00 WAT +ATOM 15790 H2 TIP3 3160 -20.738 21.294 -38.887 1.00 0.00 WAT +ATOM 15791 OH2 TIP3 3161 -6.659 27.643 -42.055 1.00 0.00 WAT +ATOM 15792 H1 TIP3 3161 -6.775 28.605 -42.050 1.00 0.00 WAT +ATOM 15793 H2 TIP3 3161 -5.856 27.531 -42.582 1.00 0.00 WAT +ATOM 15794 OH2 TIP3 3162 -24.013 24.607 -29.895 1.00 0.00 WAT +ATOM 15795 H1 TIP3 3162 -24.445 24.616 -30.772 1.00 0.00 WAT +ATOM 15796 H2 TIP3 3162 -23.881 23.654 -29.740 1.00 0.00 WAT +ATOM 15797 OH2 TIP3 3163 -23.954 27.517 -32.953 1.00 0.00 WAT +ATOM 15798 H1 TIP3 3163 -23.022 27.253 -32.933 1.00 0.00 WAT +ATOM 15799 H2 TIP3 3163 -23.985 28.149 -32.221 1.00 0.00 WAT +ATOM 15800 OH2 TIP3 3164 -5.565 28.138 -27.177 1.00 0.00 WAT +ATOM 15801 H1 TIP3 3164 -5.690 27.191 -27.364 1.00 0.00 WAT +ATOM 15802 H2 TIP3 3164 -6.477 28.396 -26.915 1.00 0.00 WAT +ATOM 15803 OH2 TIP3 3165 -14.910 27.348 -28.385 1.00 0.00 WAT +ATOM 15804 H1 TIP3 3165 -14.826 28.194 -27.896 1.00 0.00 WAT +ATOM 15805 H2 TIP3 3165 -15.822 27.081 -28.158 1.00 0.00 WAT +ATOM 15806 OH2 TIP3 3166 -20.712 30.391 -36.906 1.00 0.00 WAT +ATOM 15807 H1 TIP3 3166 -20.370 29.945 -36.112 1.00 0.00 WAT +ATOM 15808 H2 TIP3 3166 -21.479 29.855 -37.121 1.00 0.00 WAT +ATOM 15809 OH2 TIP3 3167 -11.333 30.715 -41.480 1.00 0.00 WAT +ATOM 15810 H1 TIP3 3167 -10.883 30.094 -42.079 1.00 0.00 WAT +ATOM 15811 H2 TIP3 3167 -11.364 30.228 -40.644 1.00 0.00 WAT +ATOM 15812 OH2 TIP3 3168 -12.095 30.078 -38.582 1.00 0.00 WAT +ATOM 15813 H1 TIP3 3168 -13.026 30.221 -38.346 1.00 0.00 WAT +ATOM 15814 H2 TIP3 3168 -11.833 29.472 -37.871 1.00 0.00 WAT +ATOM 15815 OH2 TIP3 3169 -8.786 19.503 -26.778 1.00 0.00 WAT +ATOM 15816 H1 TIP3 3169 -9.289 19.911 -27.497 1.00 0.00 WAT +ATOM 15817 H2 TIP3 3169 -8.729 18.576 -27.081 1.00 0.00 WAT +ATOM 15818 OH2 TIP3 3170 -21.830 26.160 -28.636 1.00 0.00 WAT +ATOM 15819 H1 TIP3 3170 -21.548 25.671 -27.836 1.00 0.00 WAT +ATOM 15820 H2 TIP3 3170 -22.549 25.609 -28.995 1.00 0.00 WAT +ATOM 15821 OH2 TIP3 3171 -18.612 14.632 -32.910 1.00 0.00 WAT +ATOM 15822 H1 TIP3 3171 -19.447 14.574 -33.408 1.00 0.00 WAT +ATOM 15823 H2 TIP3 3171 -18.830 15.353 -32.300 1.00 0.00 WAT +ATOM 15824 OH2 TIP3 3172 -14.246 14.135 -29.195 1.00 0.00 WAT +ATOM 15825 H1 TIP3 3172 -13.783 13.468 -28.660 1.00 0.00 WAT +ATOM 15826 H2 TIP3 3172 -15.187 13.863 -29.111 1.00 0.00 WAT +ATOM 15827 OH2 TIP3 3173 -11.084 18.002 -28.730 1.00 0.00 WAT +ATOM 15828 H1 TIP3 3173 -11.688 17.858 -27.980 1.00 0.00 WAT +ATOM 15829 H2 TIP3 3173 -11.151 18.959 -28.893 1.00 0.00 WAT +ATOM 15830 OH2 TIP3 3174 -9.197 22.666 -42.549 1.00 0.00 WAT +ATOM 15831 H1 TIP3 3174 -9.784 22.519 -43.310 1.00 0.00 WAT +ATOM 15832 H2 TIP3 3174 -9.046 23.612 -42.645 1.00 0.00 WAT +ATOM 15833 OH2 TIP3 3175 -14.418 16.593 -42.161 1.00 0.00 WAT +ATOM 15834 H1 TIP3 3175 -14.974 16.641 -41.373 1.00 0.00 WAT +ATOM 15835 H2 TIP3 3175 -14.876 15.907 -42.662 1.00 0.00 WAT +ATOM 15836 OH2 TIP3 3176 -18.754 19.414 -31.479 1.00 0.00 WAT +ATOM 15837 H1 TIP3 3176 -19.348 19.540 -30.722 1.00 0.00 WAT +ATOM 15838 H2 TIP3 3176 -18.670 20.325 -31.836 1.00 0.00 WAT +ATOM 15839 OH2 TIP3 3177 -18.815 19.486 -36.604 1.00 0.00 WAT +ATOM 15840 H1 TIP3 3177 -19.772 19.400 -36.767 1.00 0.00 WAT +ATOM 15841 H2 TIP3 3177 -18.467 19.300 -37.500 1.00 0.00 WAT +ATOM 15842 OH2 TIP3 3178 -13.141 20.035 -37.854 1.00 0.00 WAT +ATOM 15843 H1 TIP3 3178 -13.546 20.867 -38.180 1.00 0.00 WAT +ATOM 15844 H2 TIP3 3178 -12.509 19.840 -38.567 1.00 0.00 WAT +ATOM 15845 OH2 TIP3 3179 -13.997 20.254 -26.491 1.00 0.00 WAT +ATOM 15846 H1 TIP3 3179 -14.521 19.523 -26.112 1.00 0.00 WAT +ATOM 15847 H2 TIP3 3179 -13.130 20.131 -26.062 1.00 0.00 WAT +ATOM 15848 OH2 TIP3 3180 -12.356 19.443 -35.052 1.00 0.00 WAT +ATOM 15849 H1 TIP3 3180 -12.636 20.021 -35.790 1.00 0.00 WAT +ATOM 15850 H2 TIP3 3180 -12.143 18.634 -35.561 1.00 0.00 WAT +ATOM 15851 OH2 TIP3 3181 -21.435 19.582 -29.636 1.00 0.00 WAT +ATOM 15852 H1 TIP3 3181 -21.126 19.891 -28.776 1.00 0.00 WAT +ATOM 15853 H2 TIP3 3181 -21.756 18.688 -29.424 1.00 0.00 WAT +ATOM 15854 OH2 TIP3 3182 -17.670 16.975 -43.136 1.00 0.00 WAT +ATOM 15855 H1 TIP3 3182 -18.031 16.718 -42.266 1.00 0.00 WAT +ATOM 15856 H2 TIP3 3182 -18.415 17.502 -43.486 1.00 0.00 WAT +ATOM 15857 OH2 TIP3 3183 -24.588 17.017 -35.988 1.00 0.00 WAT +ATOM 15858 H1 TIP3 3183 -23.954 17.014 -35.248 1.00 0.00 WAT +ATOM 15859 H2 TIP3 3183 -24.072 16.673 -36.733 1.00 0.00 WAT +ATOM 15860 OH2 TIP3 3184 -22.996 17.486 -40.379 1.00 0.00 WAT +ATOM 15861 H1 TIP3 3184 -22.440 17.968 -41.025 1.00 0.00 WAT +ATOM 15862 H2 TIP3 3184 -23.670 18.157 -40.174 1.00 0.00 WAT +ATOM 15863 OH2 TIP3 3185 -13.256 21.130 -30.589 1.00 0.00 WAT +ATOM 15864 H1 TIP3 3185 -12.817 20.406 -31.091 1.00 0.00 WAT +ATOM 15865 H2 TIP3 3185 -13.586 20.659 -29.812 1.00 0.00 WAT +ATOM 15866 OH2 TIP3 3186 -16.044 17.069 -35.572 1.00 0.00 WAT +ATOM 15867 H1 TIP3 3186 -16.992 17.043 -35.359 1.00 0.00 WAT +ATOM 15868 H2 TIP3 3186 -15.645 16.896 -34.703 1.00 0.00 WAT +ATOM 15869 OH2 TIP3 3187 -21.493 18.294 -36.886 1.00 0.00 WAT +ATOM 15870 H1 TIP3 3187 -22.297 18.581 -37.356 1.00 0.00 WAT +ATOM 15871 H2 TIP3 3187 -21.197 17.518 -37.398 1.00 0.00 WAT +ATOM 15872 OH2 TIP3 3188 -17.869 18.700 -39.219 1.00 0.00 WAT +ATOM 15873 H1 TIP3 3188 -16.900 18.762 -39.174 1.00 0.00 WAT +ATOM 15874 H2 TIP3 3188 -18.111 19.269 -39.971 1.00 0.00 WAT +ATOM 15875 OH2 TIP3 3189 -11.654 16.216 -32.545 1.00 0.00 WAT +ATOM 15876 H1 TIP3 3189 -12.306 16.233 -31.810 1.00 0.00 WAT +ATOM 15877 H2 TIP3 3189 -12.223 15.877 -33.259 1.00 0.00 WAT +ATOM 15878 OH2 TIP3 3190 -19.267 19.824 -41.568 1.00 0.00 WAT +ATOM 15879 H1 TIP3 3190 -19.906 19.348 -42.124 1.00 0.00 WAT +ATOM 15880 H2 TIP3 3190 -18.546 20.016 -42.183 1.00 0.00 WAT +ATOM 15881 OH2 TIP3 3191 -8.635 31.971 -25.896 1.00 0.00 WAT +ATOM 15882 H1 TIP3 3191 -8.454 32.462 -26.715 1.00 0.00 WAT +ATOM 15883 H2 TIP3 3191 -7.967 32.334 -25.293 1.00 0.00 WAT +ATOM 15884 OH2 TIP3 3192 -20.751 24.591 -26.467 1.00 0.00 WAT +ATOM 15885 H1 TIP3 3192 -20.067 24.704 -25.774 1.00 0.00 WAT +ATOM 15886 H2 TIP3 3192 -21.550 24.647 -25.910 1.00 0.00 WAT +ATOM 15887 OH2 TIP3 3193 -15.031 19.621 -33.744 1.00 0.00 WAT +ATOM 15888 H1 TIP3 3193 -14.293 19.194 -34.204 1.00 0.00 WAT +ATOM 15889 H2 TIP3 3193 -15.188 19.011 -32.997 1.00 0.00 WAT +ATOM 15890 OH2 TIP3 3194 -19.719 16.044 -37.624 1.00 0.00 WAT +ATOM 15891 H1 TIP3 3194 -20.271 15.260 -37.470 1.00 0.00 WAT +ATOM 15892 H2 TIP3 3194 -18.897 15.658 -37.956 1.00 0.00 WAT +ATOM 15893 OH2 TIP3 3195 -16.058 18.086 -31.504 1.00 0.00 WAT +ATOM 15894 H1 TIP3 3195 -16.841 18.662 -31.501 1.00 0.00 WAT +ATOM 15895 H2 TIP3 3195 -15.592 18.349 -30.684 1.00 0.00 WAT +ATOM 15896 OH2 TIP3 3196 -15.887 24.431 -39.589 1.00 0.00 WAT +ATOM 15897 H1 TIP3 3196 -16.680 23.987 -39.953 1.00 0.00 WAT +ATOM 15898 H2 TIP3 3196 -16.135 24.558 -38.643 1.00 0.00 WAT +ATOM 15899 OH2 TIP3 3197 -8.691 23.620 -30.877 1.00 0.00 WAT +ATOM 15900 H1 TIP3 3197 -8.208 24.180 -31.521 1.00 0.00 WAT +ATOM 15901 H2 TIP3 3197 -9.556 23.521 -31.323 1.00 0.00 WAT +ATOM 15902 OH2 TIP3 3198 -11.756 17.231 -41.853 1.00 0.00 WAT +ATOM 15903 H1 TIP3 3198 -12.736 17.207 -41.873 1.00 0.00 WAT +ATOM 15904 H2 TIP3 3198 -11.548 17.989 -41.270 1.00 0.00 WAT +ATOM 15905 OH2 TIP3 3199 -14.287 24.473 -28.274 1.00 0.00 WAT +ATOM 15906 H1 TIP3 3199 -14.590 24.191 -27.400 1.00 0.00 WAT +ATOM 15907 H2 TIP3 3199 -14.565 25.403 -28.299 1.00 0.00 WAT +ATOM 15908 OH2 TIP3 3200 -11.152 19.084 -39.884 1.00 0.00 WAT +ATOM 15909 H1 TIP3 3200 -10.286 18.914 -39.463 1.00 0.00 WAT +ATOM 15910 H2 TIP3 3200 -11.018 19.962 -40.288 1.00 0.00 WAT +ATOM 15911 OH2 TIP3 3201 -20.796 23.840 -33.786 1.00 0.00 WAT +ATOM 15912 H1 TIP3 3201 -20.225 23.767 -34.570 1.00 0.00 WAT +ATOM 15913 H2 TIP3 3201 -20.663 22.981 -33.357 1.00 0.00 WAT +ATOM 15914 OH2 TIP3 3202 -13.463 25.756 -40.693 1.00 0.00 WAT +ATOM 15915 H1 TIP3 3202 -13.735 26.649 -40.404 1.00 0.00 WAT +ATOM 15916 H2 TIP3 3202 -14.238 25.237 -40.406 1.00 0.00 WAT +ATOM 15917 OH2 TIP3 3203 -23.534 22.138 -28.511 1.00 0.00 WAT +ATOM 15918 H1 TIP3 3203 -23.361 21.682 -27.664 1.00 0.00 WAT +ATOM 15919 H2 TIP3 3203 -24.134 21.530 -28.971 1.00 0.00 WAT +ATOM 15920 OH2 TIP3 3204 -16.550 21.620 -26.524 1.00 0.00 WAT +ATOM 15921 H1 TIP3 3204 -16.907 21.395 -27.401 1.00 0.00 WAT +ATOM 15922 H2 TIP3 3204 -15.611 21.396 -26.649 1.00 0.00 WAT +ATOM 15923 OH2 TIP3 3205 -12.019 27.010 -28.798 1.00 0.00 WAT +ATOM 15924 H1 TIP3 3205 -12.977 27.159 -28.873 1.00 0.00 WAT +ATOM 15925 H2 TIP3 3205 -11.843 27.322 -27.893 1.00 0.00 WAT +ATOM 15926 OH2 TIP3 3206 -6.439 19.181 -39.983 1.00 0.00 WAT +ATOM 15927 H1 TIP3 3206 -7.060 18.963 -40.707 1.00 0.00 WAT +ATOM 15928 H2 TIP3 3206 -6.347 20.130 -40.171 1.00 0.00 WAT +ATOM 15929 OH2 TIP3 3207 -6.026 25.154 -27.237 1.00 0.00 WAT +ATOM 15930 H1 TIP3 3207 -6.963 25.378 -27.427 1.00 0.00 WAT +ATOM 15931 H2 TIP3 3207 -5.693 25.003 -28.143 1.00 0.00 WAT +ATOM 15932 OH2 TIP3 3208 -8.333 27.760 -39.944 1.00 0.00 WAT +ATOM 15933 H1 TIP3 3208 -8.562 27.005 -39.386 1.00 0.00 WAT +ATOM 15934 H2 TIP3 3208 -7.797 27.363 -40.660 1.00 0.00 WAT +ATOM 15935 OH2 TIP3 3209 -11.037 23.059 -32.556 1.00 0.00 WAT +ATOM 15936 H1 TIP3 3209 -11.974 22.921 -32.796 1.00 0.00 WAT +ATOM 15937 H2 TIP3 3209 -10.610 22.342 -33.062 1.00 0.00 WAT +ATOM 15938 OH2 TIP3 3210 -18.368 27.339 -36.561 1.00 0.00 WAT +ATOM 15939 H1 TIP3 3210 -17.720 28.055 -36.737 1.00 0.00 WAT +ATOM 15940 H2 TIP3 3210 -19.182 27.708 -36.919 1.00 0.00 WAT +ATOM 15941 OH2 TIP3 3211 -22.316 22.031 -41.969 1.00 0.00 WAT +ATOM 15942 H1 TIP3 3211 -21.781 22.713 -41.522 1.00 0.00 WAT +ATOM 15943 H2 TIP3 3211 -23.222 22.267 -41.695 1.00 0.00 WAT +ATOM 15944 OH2 TIP3 3212 -16.616 24.904 -36.922 1.00 0.00 WAT +ATOM 15945 H1 TIP3 3212 -16.848 25.835 -36.761 1.00 0.00 WAT +ATOM 15946 H2 TIP3 3212 -17.347 24.447 -36.479 1.00 0.00 WAT +ATOM 15947 OH2 TIP3 3213 -16.405 29.087 -30.553 1.00 0.00 WAT +ATOM 15948 H1 TIP3 3213 -15.881 29.855 -30.844 1.00 0.00 WAT +ATOM 15949 H2 TIP3 3213 -15.774 28.644 -29.966 1.00 0.00 WAT +ATOM 15950 OH2 TIP3 3214 -13.010 24.831 -30.988 1.00 0.00 WAT +ATOM 15951 H1 TIP3 3214 -13.285 24.586 -30.087 1.00 0.00 WAT +ATOM 15952 H2 TIP3 3214 -12.258 24.236 -31.140 1.00 0.00 WAT +ATOM 15953 OH2 TIP3 3215 -10.870 25.991 -41.939 1.00 0.00 WAT +ATOM 15954 H1 TIP3 3215 -10.393 25.605 -41.180 1.00 0.00 WAT +ATOM 15955 H2 TIP3 3215 -11.770 25.992 -41.577 1.00 0.00 WAT +ATOM 15956 OH2 TIP3 3216 -10.033 29.399 -28.618 1.00 0.00 WAT +ATOM 15957 H1 TIP3 3216 -10.817 28.979 -29.021 1.00 0.00 WAT +ATOM 15958 H2 TIP3 3216 -9.958 30.224 -29.133 1.00 0.00 WAT +ATOM 15959 OH2 TIP3 3217 -5.955 30.582 -41.601 1.00 0.00 WAT +ATOM 15960 H1 TIP3 3217 -5.256 31.251 -41.429 1.00 0.00 WAT +ATOM 15961 H2 TIP3 3217 -6.748 31.064 -41.289 1.00 0.00 WAT +ATOM 15962 OH2 TIP3 3218 -22.213 16.795 -28.899 1.00 0.00 WAT +ATOM 15963 H1 TIP3 3218 -23.121 17.039 -29.167 1.00 0.00 WAT +ATOM 15964 H2 TIP3 3218 -22.357 15.918 -28.501 1.00 0.00 WAT +ATOM 15965 OH2 TIP3 3219 -9.854 24.662 -39.739 1.00 0.00 WAT +ATOM 15966 H1 TIP3 3219 -10.147 24.030 -39.059 1.00 0.00 WAT +ATOM 15967 H2 TIP3 3219 -8.909 24.752 -39.537 1.00 0.00 WAT +ATOM 15968 OH2 TIP3 3220 -22.481 28.544 -30.494 1.00 0.00 WAT +ATOM 15969 H1 TIP3 3220 -22.128 27.653 -30.357 1.00 0.00 WAT +ATOM 15970 H2 TIP3 3220 -22.207 28.975 -29.674 1.00 0.00 WAT +ATOM 15971 OH2 TIP3 3221 -16.370 27.166 -43.310 1.00 0.00 WAT +ATOM 15972 H1 TIP3 3221 -15.992 26.301 -43.538 1.00 0.00 WAT +ATOM 15973 H2 TIP3 3221 -16.853 26.950 -42.486 1.00 0.00 WAT +ATOM 15974 OH2 TIP3 3222 -17.767 26.776 -40.751 1.00 0.00 WAT +ATOM 15975 H1 TIP3 3222 -17.281 26.247 -40.106 1.00 0.00 WAT +ATOM 15976 H2 TIP3 3222 -17.615 27.686 -40.418 1.00 0.00 WAT +ATOM 15977 OH2 TIP3 3223 -20.932 24.094 -40.361 1.00 0.00 WAT +ATOM 15978 H1 TIP3 3223 -21.677 24.508 -39.879 1.00 0.00 WAT +ATOM 15979 H2 TIP3 3223 -20.458 24.885 -40.666 1.00 0.00 WAT +ATOM 15980 OH2 TIP3 3224 -13.227 16.606 -30.356 1.00 0.00 WAT +ATOM 15981 H1 TIP3 3224 -12.624 16.893 -29.654 1.00 0.00 WAT +ATOM 15982 H2 TIP3 3224 -13.740 15.895 -29.931 1.00 0.00 WAT +ATOM 15983 OH2 TIP3 3225 -12.645 16.171 -39.212 1.00 0.00 WAT +ATOM 15984 H1 TIP3 3225 -12.339 16.668 -39.987 1.00 0.00 WAT +ATOM 15985 H2 TIP3 3225 -12.133 16.580 -38.498 1.00 0.00 WAT +ATOM 15986 OH2 TIP3 3226 -14.887 28.297 -40.447 1.00 0.00 WAT +ATOM 15987 H1 TIP3 3226 -15.446 28.689 -39.745 1.00 0.00 WAT +ATOM 15988 H2 TIP3 3226 -14.329 29.054 -40.659 1.00 0.00 WAT +ATOM 15989 OH2 TIP3 3227 -15.193 18.082 -38.152 1.00 0.00 WAT +ATOM 15990 H1 TIP3 3227 -14.414 18.657 -38.008 1.00 0.00 WAT +ATOM 15991 H2 TIP3 3227 -15.487 17.916 -37.236 1.00 0.00 WAT +ATOM 15992 OH2 TIP3 3228 -14.848 18.955 -28.999 1.00 0.00 WAT +ATOM 15993 H1 TIP3 3228 -14.783 19.503 -28.199 1.00 0.00 WAT +ATOM 15994 H2 TIP3 3228 -14.269 18.214 -28.779 1.00 0.00 WAT +ATOM 15995 OH2 TIP3 3229 -14.561 15.104 -37.233 1.00 0.00 WAT +ATOM 15996 H1 TIP3 3229 -14.778 15.799 -36.583 1.00 0.00 WAT +ATOM 15997 H2 TIP3 3229 -13.855 15.541 -37.749 1.00 0.00 WAT +ATOM 15998 OH2 TIP3 3230 -17.875 29.526 -40.005 1.00 0.00 WAT +ATOM 15999 H1 TIP3 3230 -17.612 30.317 -40.507 1.00 0.00 WAT +ATOM 16000 H2 TIP3 3230 -17.615 29.775 -39.097 1.00 0.00 WAT +ATOM 16001 OH2 TIP3 3231 -18.852 16.168 -40.798 1.00 0.00 WAT +ATOM 16002 H1 TIP3 3231 -18.925 16.880 -40.141 1.00 0.00 WAT +ATOM 16003 H2 TIP3 3231 -18.103 15.655 -40.442 1.00 0.00 WAT +ATOM 16004 OH2 TIP3 3232 -8.562 16.989 -28.098 1.00 0.00 WAT +ATOM 16005 H1 TIP3 3232 -9.513 17.128 -28.285 1.00 0.00 WAT +ATOM 16006 H2 TIP3 3232 -8.274 16.756 -28.993 1.00 0.00 WAT +ATOM 16007 OH2 TIP3 3233 -10.030 20.811 -34.096 1.00 0.00 WAT +ATOM 16008 H1 TIP3 3233 -10.862 20.372 -34.353 1.00 0.00 WAT +ATOM 16009 H2 TIP3 3233 -9.562 20.094 -33.616 1.00 0.00 WAT +ATOM 16010 OH2 TIP3 3234 -20.530 27.037 -41.563 1.00 0.00 WAT +ATOM 16011 H1 TIP3 3234 -19.734 27.373 -41.117 1.00 0.00 WAT +ATOM 16012 H2 TIP3 3234 -20.120 26.541 -42.288 1.00 0.00 WAT +ATOM 16013 OH2 TIP3 3235 -22.267 19.225 -42.526 1.00 0.00 WAT +ATOM 16014 H1 TIP3 3235 -22.132 20.183 -42.380 1.00 0.00 WAT +ATOM 16015 H2 TIP3 3235 -23.159 19.218 -42.917 1.00 0.00 WAT +ATOM 16016 OH2 TIP3 3236 -8.983 29.641 -32.702 1.00 0.00 WAT +ATOM 16017 H1 TIP3 3236 -9.231 30.442 -33.204 1.00 0.00 WAT +ATOM 16018 H2 TIP3 3236 -8.071 29.868 -32.457 1.00 0.00 WAT +ATOM 16019 OH2 TIP3 3237 -21.409 14.189 -33.706 1.00 0.00 WAT +ATOM 16020 H1 TIP3 3237 -21.582 14.163 -34.670 1.00 0.00 WAT +ATOM 16021 H2 TIP3 3237 -21.738 13.320 -33.408 1.00 0.00 WAT +ATOM 16022 OH2 TIP3 3238 -22.531 27.719 -37.469 1.00 0.00 WAT +ATOM 16023 H1 TIP3 3238 -23.278 28.289 -37.246 1.00 0.00 WAT +ATOM 16024 H2 TIP3 3238 -22.093 28.217 -38.172 1.00 0.00 WAT +ATOM 16025 OH2 TIP3 3239 -23.113 30.584 -26.281 1.00 0.00 WAT +ATOM 16026 H1 TIP3 3239 -22.534 30.313 -25.542 1.00 0.00 WAT +ATOM 16027 H2 TIP3 3239 -23.504 29.732 -26.559 1.00 0.00 WAT +ATOM 16028 OH2 TIP3 3240 -18.525 29.690 -24.530 1.00 0.00 WAT +ATOM 16029 H1 TIP3 3240 -17.768 29.149 -24.261 1.00 0.00 WAT +ATOM 16030 H2 TIP3 3240 -18.644 29.395 -25.450 1.00 0.00 WAT +ATOM 16031 OH2 TIP3 3241 -14.180 29.048 -43.391 1.00 0.00 WAT +ATOM 16032 H1 TIP3 3241 -14.990 28.540 -43.188 1.00 0.00 WAT +ATOM 16033 H2 TIP3 3241 -13.555 28.320 -43.519 1.00 0.00 WAT +ATOM 16034 OH2 TIP3 3242 -11.867 27.861 -25.984 1.00 0.00 WAT +ATOM 16035 H1 TIP3 3242 -12.296 27.093 -25.570 1.00 0.00 WAT +ATOM 16036 H2 TIP3 3242 -11.250 28.155 -25.289 1.00 0.00 WAT +ATOM 16037 OH2 TIP3 3243 -10.127 28.508 -42.934 1.00 0.00 WAT +ATOM 16038 H1 TIP3 3243 -9.805 27.885 -42.267 1.00 0.00 WAT +ATOM 16039 H2 TIP3 3243 -9.387 29.139 -43.081 1.00 0.00 WAT +ATOM 16040 OH2 TIP3 3244 -23.176 24.193 -25.144 1.00 0.00 WAT +ATOM 16041 H1 TIP3 3244 -23.051 23.317 -25.542 1.00 0.00 WAT +ATOM 16042 H2 TIP3 3244 -23.923 24.528 -25.677 1.00 0.00 WAT +ATOM 16043 OH2 TIP3 3245 -18.882 24.805 -43.073 1.00 0.00 WAT +ATOM 16044 H1 TIP3 3245 -18.750 24.118 -42.406 1.00 0.00 WAT +ATOM 16045 H2 TIP3 3245 -18.178 24.628 -43.712 1.00 0.00 WAT +ATOM 16046 OH2 TIP3 3246 -16.533 24.391 -25.820 1.00 0.00 WAT +ATOM 16047 H1 TIP3 3246 -16.830 24.756 -26.672 1.00 0.00 WAT +ATOM 16048 H2 TIP3 3246 -16.480 23.430 -26.000 1.00 0.00 WAT +ATOM 16049 OH2 TIP3 3247 -13.586 25.818 -43.483 1.00 0.00 WAT +ATOM 16050 H1 TIP3 3247 -13.475 25.955 -42.524 1.00 0.00 WAT +ATOM 16051 H2 TIP3 3247 -12.960 25.105 -43.664 1.00 0.00 WAT +ATOM 16052 OH2 TIP3 3248 -11.157 24.027 -28.432 1.00 0.00 WAT +ATOM 16053 H1 TIP3 3248 -10.385 24.580 -28.623 1.00 0.00 WAT +ATOM 16054 H2 TIP3 3248 -11.863 24.696 -28.444 1.00 0.00 WAT +ATOM 16055 OH2 TIP3 3249 -22.301 21.331 -26.000 1.00 0.00 WAT +ATOM 16056 H1 TIP3 3249 -21.597 20.665 -25.974 1.00 0.00 WAT +ATOM 16057 H2 TIP3 3249 -22.344 21.581 -25.064 1.00 0.00 WAT +ATOM 16058 OH2 TIP3 3250 -17.876 22.720 -40.906 1.00 0.00 WAT +ATOM 16059 H1 TIP3 3250 -18.486 22.260 -40.309 1.00 0.00 WAT +ATOM 16060 H2 TIP3 3250 -17.523 21.983 -41.438 1.00 0.00 WAT +ATOM 16061 OH2 TIP3 3251 -18.664 20.489 -28.551 1.00 0.00 WAT +ATOM 16062 H1 TIP3 3251 -19.197 21.290 -28.380 1.00 0.00 WAT +ATOM 16063 H2 TIP3 3251 -18.004 20.828 -29.182 1.00 0.00 WAT +ATOM 16064 OH2 TIP3 3252 -16.679 20.816 -42.737 1.00 0.00 WAT +ATOM 16065 H1 TIP3 3252 -16.650 20.582 -43.675 1.00 0.00 WAT +ATOM 16066 H2 TIP3 3252 -15.724 20.802 -42.512 1.00 0.00 WAT +ATOM 16067 OH2 TIP3 3253 -13.335 23.188 -24.993 1.00 0.00 WAT +ATOM 16068 H1 TIP3 3253 -12.437 23.023 -25.313 1.00 0.00 WAT +ATOM 16069 H2 TIP3 3253 -13.567 22.338 -24.601 1.00 0.00 WAT +ATOM 16070 OH2 TIP3 3254 -18.040 17.810 -27.470 1.00 0.00 WAT +ATOM 16071 H1 TIP3 3254 -17.978 17.132 -28.169 1.00 0.00 WAT +ATOM 16072 H2 TIP3 3254 -18.238 18.608 -27.993 1.00 0.00 WAT +ATOM 16073 OH2 TIP3 3255 -17.692 16.201 -29.950 1.00 0.00 WAT +ATOM 16074 H1 TIP3 3255 -17.168 16.701 -30.606 1.00 0.00 WAT +ATOM 16075 H2 TIP3 3255 -18.595 16.224 -30.328 1.00 0.00 WAT +ATOM 16076 OH2 TIP3 3256 -16.153 21.694 -29.555 1.00 0.00 WAT +ATOM 16077 H1 TIP3 3256 -15.324 21.628 -30.050 1.00 0.00 WAT +ATOM 16078 H2 TIP3 3256 -16.482 22.564 -29.862 1.00 0.00 WAT +ATOM 16079 OH2 TIP3 3257 -11.597 19.617 -24.779 1.00 0.00 WAT +ATOM 16080 H1 TIP3 3257 -11.331 18.695 -24.648 1.00 0.00 WAT +ATOM 16081 H2 TIP3 3257 -10.732 20.055 -24.840 1.00 0.00 WAT +ATOM 16082 OH2 TIP3 3258 -10.614 22.408 -26.298 1.00 0.00 WAT +ATOM 16083 H1 TIP3 3258 -10.966 23.027 -26.972 1.00 0.00 WAT +ATOM 16084 H2 TIP3 3258 -9.718 22.266 -26.665 1.00 0.00 WAT +ATOM 16085 OH2 TIP3 3259 -19.746 19.534 -25.532 1.00 0.00 WAT +ATOM 16086 H1 TIP3 3259 -20.342 18.767 -25.620 1.00 0.00 WAT +ATOM 16087 H2 TIP3 3259 -19.019 19.285 -26.123 1.00 0.00 WAT +ATOM 16088 OH2 TIP3 3260 -16.940 13.528 -29.242 1.00 0.00 WAT +ATOM 16089 H1 TIP3 3260 -17.212 14.455 -29.386 1.00 0.00 WAT +ATOM 16090 H2 TIP3 3260 -17.610 13.052 -29.765 1.00 0.00 WAT +ATOM 16091 OH2 TIP3 3261 -15.717 18.089 -25.839 1.00 0.00 WAT +ATOM 16092 H1 TIP3 3261 -16.104 17.831 -24.983 1.00 0.00 WAT +ATOM 16093 H2 TIP3 3261 -16.505 17.959 -26.409 1.00 0.00 WAT +ATOM 16094 OH2 TIP3 3262 -13.227 17.146 -26.991 1.00 0.00 WAT +ATOM 16095 H1 TIP3 3262 -14.080 17.297 -26.540 1.00 0.00 WAT +ATOM 16096 H2 TIP3 3262 -12.732 16.617 -26.334 1.00 0.00 WAT +ATOM 16097 OH2 TIP3 3263 -11.486 15.716 -25.244 1.00 0.00 WAT +ATOM 16098 H1 TIP3 3263 -11.370 14.774 -25.036 1.00 0.00 WAT +ATOM 16099 H2 TIP3 3263 -11.534 16.138 -24.363 1.00 0.00 WAT +ATOM 16100 OH2 TIP3 3264 -21.219 17.098 -25.806 1.00 0.00 WAT +ATOM 16101 H1 TIP3 3264 -21.264 16.381 -26.459 1.00 0.00 WAT +ATOM 16102 H2 TIP3 3264 -21.405 16.620 -24.976 1.00 0.00 WAT +ATOM 16103 OH2 TIP3 3265 -17.061 31.872 -41.792 1.00 0.00 WAT +ATOM 16104 H1 TIP3 3265 -16.170 32.090 -41.472 1.00 0.00 WAT +ATOM 16105 H2 TIP3 3265 -17.274 32.600 -42.392 1.00 0.00 WAT +ATOM 16106 OH2 TIP3 3266 -23.233 26.030 -41.960 1.00 0.00 WAT +ATOM 16107 H1 TIP3 3266 -22.331 26.400 -41.974 1.00 0.00 WAT +ATOM 16108 H2 TIP3 3266 -23.261 25.500 -42.769 1.00 0.00 WAT +ATOM 16109 OH2 TIP3 3267 -24.217 31.554 -37.201 1.00 0.00 WAT +ATOM 16110 H1 TIP3 3267 -24.938 31.182 -37.747 1.00 0.00 WAT +ATOM 16111 H2 TIP3 3267 -24.133 30.878 -36.497 1.00 0.00 WAT +ATOM 16112 OH2 TIP3 3268 -23.864 29.597 -35.194 1.00 0.00 WAT +ATOM 16113 H1 TIP3 3268 -24.122 28.716 -34.881 1.00 0.00 WAT +ATOM 16114 H2 TIP3 3268 -23.457 29.943 -34.384 1.00 0.00 WAT +ATOM 16115 OH2 TIP3 3269 -6.279 30.802 -32.200 1.00 0.00 WAT +ATOM 16116 H1 TIP3 3269 -6.154 30.837 -31.239 1.00 0.00 WAT +ATOM 16117 H2 TIP3 3269 -5.439 31.161 -32.514 1.00 0.00 WAT +ATOM 16118 OH2 TIP3 3270 -6.395 30.290 -29.321 1.00 0.00 WAT +ATOM 16119 H1 TIP3 3270 -6.919 29.547 -29.673 1.00 0.00 WAT +ATOM 16120 H2 TIP3 3270 -5.844 29.823 -28.675 1.00 0.00 WAT +ATOM 16121 OH2 TIP3 3271 -8.398 25.697 -25.006 1.00 0.00 WAT +ATOM 16122 H1 TIP3 3271 -9.295 25.807 -24.646 1.00 0.00 WAT +ATOM 16123 H2 TIP3 3271 -7.956 26.519 -24.734 1.00 0.00 WAT +ATOM 16124 OH2 TIP3 3272 -6.917 24.530 -39.332 1.00 0.00 WAT +ATOM 16125 H1 TIP3 3272 -6.053 24.860 -39.034 1.00 0.00 WAT +ATOM 16126 H2 TIP3 3272 -7.116 23.909 -38.610 1.00 0.00 WAT +ATOM 16127 OH2 TIP3 3273 -6.509 22.536 -37.308 1.00 0.00 WAT +ATOM 16128 H1 TIP3 3273 -7.217 22.012 -36.881 1.00 0.00 WAT +ATOM 16129 H2 TIP3 3273 -5.870 22.679 -36.586 1.00 0.00 WAT +ATOM 16130 OH2 TIP3 3274 -6.787 25.051 -32.320 1.00 0.00 WAT +ATOM 16131 H1 TIP3 3274 -6.160 24.625 -32.921 1.00 0.00 WAT +ATOM 16132 H2 TIP3 3274 -6.742 25.977 -32.614 1.00 0.00 WAT +ATOM 16133 OH2 TIP3 3275 -8.108 27.966 -30.082 1.00 0.00 WAT +ATOM 16134 H1 TIP3 3275 -8.826 28.420 -29.601 1.00 0.00 WAT +ATOM 16135 H2 TIP3 3275 -8.572 27.652 -30.882 1.00 0.00 WAT +ATOM 16136 OH2 TIP3 3276 -6.214 22.282 -41.082 1.00 0.00 WAT +ATOM 16137 H1 TIP3 3276 -6.935 22.414 -41.719 1.00 0.00 WAT +ATOM 16138 H2 TIP3 3276 -6.498 22.887 -40.375 1.00 0.00 WAT +ATOM 16139 OH2 TIP3 3277 -8.009 19.636 -42.140 1.00 0.00 WAT +ATOM 16140 H1 TIP3 3277 -7.773 20.317 -42.789 1.00 0.00 WAT +ATOM 16141 H2 TIP3 3277 -7.715 18.837 -42.588 1.00 0.00 WAT +ATOM 16142 OH2 TIP3 3278 -8.593 20.716 -36.497 1.00 0.00 WAT +ATOM 16143 H1 TIP3 3278 -8.685 19.765 -36.670 1.00 0.00 WAT +ATOM 16144 H2 TIP3 3278 -8.994 20.805 -35.609 1.00 0.00 WAT +ATOM 16145 OH2 TIP3 3279 -23.767 22.902 -32.798 1.00 0.00 WAT +ATOM 16146 H1 TIP3 3279 -23.519 22.990 -33.734 1.00 0.00 WAT +ATOM 16147 H2 TIP3 3279 -22.890 22.716 -32.403 1.00 0.00 WAT +ATOM 16148 OH2 TIP3 3280 -8.006 22.628 -27.374 1.00 0.00 WAT +ATOM 16149 H1 TIP3 3280 -7.258 22.035 -27.173 1.00 0.00 WAT +ATOM 16150 H2 TIP3 3280 -7.568 23.472 -27.551 1.00 0.00 WAT +ATOM 16151 OH2 TIP3 3281 -6.440 20.742 -26.150 1.00 0.00 WAT +ATOM 16152 H1 TIP3 3281 -7.237 20.213 -26.366 1.00 0.00 WAT +ATOM 16153 H2 TIP3 3281 -5.745 20.057 -26.169 1.00 0.00 WAT +ATOM 16154 OH2 TIP3 3282 -8.945 16.548 -43.326 1.00 0.00 WAT +ATOM 16155 H1 TIP3 3282 -8.212 16.045 -42.949 1.00 0.00 WAT +ATOM 16156 H2 TIP3 3282 -9.737 16.094 -42.997 1.00 0.00 WAT +ATOM 16157 OH2 TIP3 3283 -8.807 18.248 -38.358 1.00 0.00 WAT +ATOM 16158 H1 TIP3 3283 -8.559 17.298 -38.288 1.00 0.00 WAT +ATOM 16159 H2 TIP3 3283 -7.988 18.612 -38.731 1.00 0.00 WAT +ATOM 16160 OH2 TIP3 3284 -8.511 18.811 -32.879 1.00 0.00 WAT +ATOM 16161 H1 TIP3 3284 -7.539 18.917 -32.903 1.00 0.00 WAT +ATOM 16162 H2 TIP3 3284 -8.660 18.841 -31.918 1.00 0.00 WAT +ATOM 16163 OH2 TIP3 3285 -8.350 19.520 -30.060 1.00 0.00 WAT +ATOM 16164 H1 TIP3 3285 -9.206 19.910 -29.801 1.00 0.00 WAT +ATOM 16165 H2 TIP3 3285 -7.826 20.315 -30.271 1.00 0.00 WAT +ATOM 16166 OH2 TIP3 3286 -23.847 18.275 -26.404 1.00 0.00 WAT +ATOM 16167 H1 TIP3 3286 -22.911 18.006 -26.356 1.00 0.00 WAT +ATOM 16168 H2 TIP3 3286 -24.295 17.414 -26.327 1.00 0.00 WAT +ATOM 16169 OH2 TIP3 3287 -5.830 13.639 -24.772 1.00 0.00 WAT +ATOM 16170 H1 TIP3 3287 -5.366 12.954 -25.293 1.00 0.00 WAT +ATOM 16171 H2 TIP3 3287 -5.758 14.418 -25.354 1.00 0.00 WAT +ATOM 16172 OH2 TIP3 3288 -8.323 15.493 -38.298 1.00 0.00 WAT +ATOM 16173 H1 TIP3 3288 -8.167 15.104 -37.420 1.00 0.00 WAT +ATOM 16174 H2 TIP3 3288 -9.056 14.936 -38.629 1.00 0.00 WAT +ATOM 16175 OH2 TIP3 3289 -23.087 16.606 -33.579 1.00 0.00 WAT +ATOM 16176 H1 TIP3 3289 -22.615 15.756 -33.521 1.00 0.00 WAT +ATOM 16177 H2 TIP3 3289 -22.404 17.217 -33.245 1.00 0.00 WAT +ATOM 16178 OH2 TIP3 3290 -24.538 19.290 -32.546 1.00 0.00 WAT +ATOM 16179 H1 TIP3 3290 -23.961 19.249 -33.326 1.00 0.00 WAT +ATOM 16180 H2 TIP3 3290 -24.174 20.064 -32.096 1.00 0.00 WAT +ATOM 16181 OH2 TIP3 3291 -6.400 15.721 -26.524 1.00 0.00 WAT +ATOM 16182 H1 TIP3 3291 -7.283 16.131 -26.488 1.00 0.00 WAT +ATOM 16183 H2 TIP3 3291 -6.506 15.161 -27.314 1.00 0.00 WAT +ATOM 16184 OH2 TIP3 3292 -6.173 15.774 -41.584 1.00 0.00 WAT +ATOM 16185 H1 TIP3 3292 -6.132 15.324 -42.457 1.00 0.00 WAT +ATOM 16186 H2 TIP3 3292 -5.404 16.347 -41.711 1.00 0.00 WAT +ATOM 16187 OH2 TIP3 3293 -24.034 15.636 -38.525 1.00 0.00 WAT +ATOM 16188 H1 TIP3 3293 -24.990 15.664 -38.705 1.00 0.00 WAT +ATOM 16189 H2 TIP3 3293 -23.663 16.238 -39.199 1.00 0.00 WAT +ATOM 16190 OH2 TIP3 3294 -9.436 30.834 -36.448 1.00 0.00 WAT +ATOM 16191 H1 TIP3 3294 -8.885 30.574 -37.200 1.00 0.00 WAT +ATOM 16192 H2 TIP3 3294 -8.803 31.261 -35.859 1.00 0.00 WAT +ATOM 16193 OH2 TIP3 3295 -23.994 14.540 -30.311 1.00 0.00 WAT +ATOM 16194 H1 TIP3 3295 -24.707 14.211 -29.751 1.00 0.00 WAT +ATOM 16195 H2 TIP3 3295 -24.491 15.035 -30.986 1.00 0.00 WAT +ATOM 16196 OH2 TIP3 3296 -22.024 27.482 -25.645 1.00 0.00 WAT +ATOM 16197 H1 TIP3 3296 -22.729 27.583 -26.301 1.00 0.00 WAT +ATOM 16198 H2 TIP3 3296 -22.478 27.656 -24.813 1.00 0.00 WAT +ATOM 16199 OH2 TIP3 3297 -19.176 28.600 -29.986 1.00 0.00 WAT +ATOM 16200 H1 TIP3 3297 -19.473 29.449 -30.361 1.00 0.00 WAT +ATOM 16201 H2 TIP3 3297 -18.218 28.676 -30.173 1.00 0.00 WAT +ATOM 16202 OH2 TIP3 3298 -14.638 29.869 -27.064 1.00 0.00 WAT +ATOM 16203 H1 TIP3 3298 -14.553 29.761 -26.102 1.00 0.00 WAT +ATOM 16204 H2 TIP3 3298 -13.823 30.365 -27.280 1.00 0.00 WAT +ATOM 16205 OH2 TIP3 3299 -12.348 31.379 -27.752 1.00 0.00 WAT +ATOM 16206 H1 TIP3 3299 -11.678 30.712 -27.957 1.00 0.00 WAT +ATOM 16207 H2 TIP3 3299 -12.063 31.669 -26.862 1.00 0.00 WAT +ATOM 16208 OH2 TIP3 3300 -7.559 13.930 -28.532 1.00 0.00 WAT +ATOM 16209 H1 TIP3 3300 -8.336 14.130 -29.081 1.00 0.00 WAT +ATOM 16210 H2 TIP3 3300 -7.312 13.042 -28.867 1.00 0.00 WAT +ATOM 16211 OH2 TIP3 3301 -21.826 31.513 -29.654 1.00 0.00 WAT +ATOM 16212 H1 TIP3 3301 -22.387 32.167 -30.108 1.00 0.00 WAT +ATOM 16213 H2 TIP3 3301 -22.127 31.623 -28.744 1.00 0.00 WAT +ATOM 16214 OH2 TIP3 3302 -19.311 31.302 -31.096 1.00 0.00 WAT +ATOM 16215 H1 TIP3 3302 -20.160 31.529 -30.671 1.00 0.00 WAT +ATOM 16216 H2 TIP3 3302 -19.239 31.981 -31.794 1.00 0.00 WAT +ATOM 16217 OH2 TIP3 3303 -14.578 31.284 -31.520 1.00 0.00 WAT +ATOM 16218 H1 TIP3 3303 -14.956 31.698 -32.323 1.00 0.00 WAT +ATOM 16219 H2 TIP3 3303 -14.488 32.062 -30.939 1.00 0.00 WAT +ATOM 16220 OH2 TIP3 3304 -12.235 30.020 -30.614 1.00 0.00 WAT +ATOM 16221 H1 TIP3 3304 -13.079 30.370 -30.962 1.00 0.00 WAT +ATOM 16222 H2 TIP3 3304 -11.678 30.809 -30.668 1.00 0.00 WAT +ATOM 16223 OH2 TIP3 3305 -9.657 31.751 -30.444 1.00 0.00 WAT +ATOM 16224 H1 TIP3 3305 -9.743 32.704 -30.643 1.00 0.00 WAT +ATOM 16225 H2 TIP3 3305 -9.424 31.409 -31.323 1.00 0.00 WAT +ATOM 16226 OH2 TIP3 3306 -22.247 30.332 -32.723 1.00 0.00 WAT +ATOM 16227 H1 TIP3 3306 -22.235 29.863 -31.862 1.00 0.00 WAT +ATOM 16228 H2 TIP3 3306 -21.469 29.923 -33.160 1.00 0.00 WAT +ATOM 16229 OH2 TIP3 3307 -20.210 29.123 -34.218 1.00 0.00 WAT +ATOM 16230 H1 TIP3 3307 -20.322 28.178 -34.002 1.00 0.00 WAT +ATOM 16231 H2 TIP3 3307 -19.281 29.281 -33.947 1.00 0.00 WAT +ATOM 16232 OH2 TIP3 3308 -17.529 29.573 -33.364 1.00 0.00 WAT +ATOM 16233 H1 TIP3 3308 -17.186 28.733 -33.702 1.00 0.00 WAT +ATOM 16234 H2 TIP3 3308 -17.374 29.480 -32.412 1.00 0.00 WAT +ATOM 16235 OH2 TIP3 3309 -14.104 15.431 -34.068 1.00 0.00 WAT +ATOM 16236 H1 TIP3 3309 -14.806 14.763 -33.953 1.00 0.00 WAT +ATOM 16237 H2 TIP3 3309 -13.514 14.992 -34.700 1.00 0.00 WAT +ATOM 16238 OH2 TIP3 3310 -9.165 13.498 -33.611 1.00 0.00 WAT +ATOM 16239 H1 TIP3 3310 -8.397 13.908 -34.047 1.00 0.00 WAT +ATOM 16240 H2 TIP3 3310 -9.902 13.758 -34.189 1.00 0.00 WAT +ATOM 16241 OH2 TIP3 3311 -7.087 14.572 -35.751 1.00 0.00 WAT +ATOM 16242 H1 TIP3 3311 -6.379 14.133 -36.259 1.00 0.00 WAT +ATOM 16243 H2 TIP3 3311 -6.756 15.489 -35.695 1.00 0.00 WAT +ATOM 16244 OH2 TIP3 3312 -21.752 14.158 -36.522 1.00 0.00 WAT +ATOM 16245 H1 TIP3 3312 -22.613 14.042 -36.968 1.00 0.00 WAT +ATOM 16246 H2 TIP3 3312 -21.341 13.288 -36.679 1.00 0.00 WAT +ATOM 16247 OH2 TIP3 3313 -22.976 13.716 -40.804 1.00 0.00 WAT +ATOM 16248 H1 TIP3 3313 -22.379 14.345 -41.271 1.00 0.00 WAT +ATOM 16249 H2 TIP3 3313 -23.302 14.269 -40.075 1.00 0.00 WAT +ATOM 16250 OH2 TIP3 3314 -17.287 13.982 -36.662 1.00 0.00 WAT +ATOM 16251 H1 TIP3 3314 -16.375 14.288 -36.795 1.00 0.00 WAT +ATOM 16252 H2 TIP3 3314 -17.316 13.896 -35.702 1.00 0.00 WAT +ATOM 16253 OH2 TIP3 3315 -11.673 14.026 -35.236 1.00 0.00 WAT +ATOM 16254 H1 TIP3 3315 -11.440 13.888 -36.165 1.00 0.00 WAT +ATOM 16255 H2 TIP3 3315 -12.069 13.168 -34.998 1.00 0.00 WAT +ATOM 16256 OH2 TIP3 3316 -10.639 14.000 -39.211 1.00 0.00 WAT +ATOM 16257 H1 TIP3 3316 -11.438 14.462 -39.516 1.00 0.00 WAT +ATOM 16258 H2 TIP3 3316 -10.965 13.083 -39.149 1.00 0.00 WAT +ATOM 16259 OH2 TIP3 3317 -22.905 29.609 -39.661 1.00 0.00 WAT +ATOM 16260 H1 TIP3 3317 -23.621 29.615 -40.317 1.00 0.00 WAT +ATOM 16261 H2 TIP3 3317 -22.869 30.540 -39.415 1.00 0.00 WAT +ATOM 16262 OH2 TIP3 3318 -21.285 15.411 -42.285 1.00 0.00 WAT +ATOM 16263 H1 TIP3 3318 -20.719 14.840 -42.821 1.00 0.00 WAT +ATOM 16264 H2 TIP3 3318 -20.624 15.928 -41.792 1.00 0.00 WAT +ATOM 16265 OH2 TIP3 3319 -16.177 15.615 -39.591 1.00 0.00 WAT +ATOM 16266 H1 TIP3 3319 -15.780 15.081 -38.886 1.00 0.00 WAT +ATOM 16267 H2 TIP3 3319 -15.936 16.501 -39.281 1.00 0.00 WAT +ATOM 16268 OH2 TIP3 3320 -14.121 31.326 -41.397 1.00 0.00 WAT +ATOM 16269 H1 TIP3 3320 -13.151 31.427 -41.428 1.00 0.00 WAT +ATOM 16270 H2 TIP3 3320 -14.258 30.651 -42.076 1.00 0.00 WAT +ATOM 16271 OH2 TIP3 3321 -7.466 30.433 -38.860 1.00 0.00 WAT +ATOM 16272 H1 TIP3 3321 -7.819 29.622 -39.279 1.00 0.00 WAT +ATOM 16273 H2 TIP3 3321 -7.737 31.124 -39.500 1.00 0.00 WAT +ATOM 16274 OH2 TIP3 3322 -21.973 14.394 -27.000 1.00 0.00 WAT +ATOM 16275 H1 TIP3 3322 -22.372 13.575 -26.653 1.00 0.00 WAT +ATOM 16276 H2 TIP3 3322 -21.044 14.264 -26.753 1.00 0.00 WAT +ATOM 16277 OH2 TIP3 3323 -19.577 13.734 -25.299 1.00 0.00 WAT +ATOM 16278 H1 TIP3 3323 -18.791 13.277 -25.625 1.00 0.00 WAT +ATOM 16279 H2 TIP3 3323 -20.029 13.005 -24.837 1.00 0.00 WAT +ATOM 16280 OH2 TIP3 3324 -20.908 30.663 -42.320 1.00 0.00 WAT +ATOM 16281 H1 TIP3 3324 -21.274 30.946 -41.474 1.00 0.00 WAT +ATOM 16282 H2 TIP3 3324 -20.205 30.059 -42.057 1.00 0.00 WAT +ATOM 16283 OH2 TIP3 3325 -11.562 12.890 -25.053 1.00 0.00 WAT +ATOM 16284 H1 TIP3 3325 -11.399 12.484 -24.174 1.00 0.00 WAT +ATOM 16285 H2 TIP3 3325 -10.647 12.868 -25.409 1.00 0.00 WAT +ATOM 16286 OH2 TIP3 3326 -8.082 29.225 -26.414 1.00 0.00 WAT +ATOM 16287 H1 TIP3 3326 -8.823 29.035 -27.017 1.00 0.00 WAT +ATOM 16288 H2 TIP3 3326 -8.261 30.163 -26.203 1.00 0.00 WAT +ATOM 16289 OH2 TIP3 3327 6.094 22.890 -36.264 1.00 0.00 WAT +ATOM 16290 H1 TIP3 3327 6.104 23.854 -36.148 1.00 0.00 WAT +ATOM 16291 H2 TIP3 3327 5.360 22.782 -36.884 1.00 0.00 WAT +ATOM 16292 OH2 TIP3 3328 4.973 22.313 -33.172 1.00 0.00 WAT +ATOM 16293 H1 TIP3 3328 4.936 21.748 -32.385 1.00 0.00 WAT +ATOM 16294 H2 TIP3 3328 4.723 21.693 -33.874 1.00 0.00 WAT +ATOM 16295 OH2 TIP3 3329 -1.848 21.786 -31.560 1.00 0.00 WAT +ATOM 16296 H1 TIP3 3329 -2.339 21.143 -31.004 1.00 0.00 WAT +ATOM 16297 H2 TIP3 3329 -1.891 22.571 -30.981 1.00 0.00 WAT +ATOM 16298 OH2 TIP3 3330 8.636 25.080 -34.880 1.00 0.00 WAT +ATOM 16299 H1 TIP3 3330 8.273 24.374 -34.329 1.00 0.00 WAT +ATOM 16300 H2 TIP3 3330 8.931 25.710 -34.208 1.00 0.00 WAT +ATOM 16301 OH2 TIP3 3331 -1.884 26.557 -33.015 1.00 0.00 WAT +ATOM 16302 H1 TIP3 3331 -2.094 25.634 -33.257 1.00 0.00 WAT +ATOM 16303 H2 TIP3 3331 -0.945 26.465 -32.792 1.00 0.00 WAT +ATOM 16304 OH2 TIP3 3332 -4.912 20.029 -37.617 1.00 0.00 WAT +ATOM 16305 H1 TIP3 3332 -5.405 20.861 -37.540 1.00 0.00 WAT +ATOM 16306 H2 TIP3 3332 -5.564 19.454 -38.041 1.00 0.00 WAT +ATOM 16307 OH2 TIP3 3333 -4.051 22.432 -35.692 1.00 0.00 WAT +ATOM 16308 H1 TIP3 3333 -3.944 21.553 -35.278 1.00 0.00 WAT +ATOM 16309 H2 TIP3 3333 -3.254 22.479 -36.237 1.00 0.00 WAT +ATOM 16310 OH2 TIP3 3334 5.683 30.426 -34.327 1.00 0.00 WAT +ATOM 16311 H1 TIP3 3334 6.287 29.725 -34.637 1.00 0.00 WAT +ATOM 16312 H2 TIP3 3334 5.431 30.105 -33.453 1.00 0.00 WAT +ATOM 16313 OH2 TIP3 3335 3.440 24.822 -32.623 1.00 0.00 WAT +ATOM 16314 H1 TIP3 3335 3.797 24.129 -33.205 1.00 0.00 WAT +ATOM 16315 H2 TIP3 3335 4.251 25.022 -32.116 1.00 0.00 WAT +ATOM 16316 OH2 TIP3 3336 12.123 16.365 -31.981 1.00 0.00 WAT +ATOM 16317 H1 TIP3 3336 12.377 16.987 -31.277 1.00 0.00 WAT +ATOM 16318 H2 TIP3 3336 12.730 16.644 -32.692 1.00 0.00 WAT +ATOM 16319 OH2 TIP3 3337 6.739 19.181 -32.123 1.00 0.00 WAT +ATOM 16320 H1 TIP3 3337 6.924 18.226 -32.079 1.00 0.00 WAT +ATOM 16321 H2 TIP3 3337 6.680 19.314 -33.083 1.00 0.00 WAT +ATOM 16322 OH2 TIP3 3338 -0.342 17.254 -35.000 1.00 0.00 WAT +ATOM 16323 H1 TIP3 3338 -0.162 18.055 -35.531 1.00 0.00 WAT +ATOM 16324 H2 TIP3 3338 -0.677 16.668 -35.707 1.00 0.00 WAT +ATOM 16325 OH2 TIP3 3339 7.553 17.362 -36.737 1.00 0.00 WAT +ATOM 16326 H1 TIP3 3339 8.129 16.928 -36.071 1.00 0.00 WAT +ATOM 16327 H2 TIP3 3339 8.218 17.788 -37.298 1.00 0.00 WAT +ATOM 16328 OH2 TIP3 3340 -3.501 19.920 -34.525 1.00 0.00 WAT +ATOM 16329 H1 TIP3 3340 -2.960 19.367 -33.946 1.00 0.00 WAT +ATOM 16330 H2 TIP3 3340 -3.464 19.417 -35.361 1.00 0.00 WAT +ATOM 16331 OH2 TIP3 3341 1.453 21.180 -34.613 1.00 0.00 WAT +ATOM 16332 H1 TIP3 3341 2.308 20.757 -34.400 1.00 0.00 WAT +ATOM 16333 H2 TIP3 3341 1.135 20.615 -35.340 1.00 0.00 WAT +ATOM 16334 OH2 TIP3 3342 12.837 17.747 -29.511 1.00 0.00 WAT +ATOM 16335 H1 TIP3 3342 12.255 18.476 -29.789 1.00 0.00 WAT +ATOM 16336 H2 TIP3 3342 12.660 17.726 -28.560 1.00 0.00 WAT +ATOM 16337 OH2 TIP3 3343 -1.521 15.929 -30.925 1.00 0.00 WAT +ATOM 16338 H1 TIP3 3343 -1.830 16.579 -31.570 1.00 0.00 WAT +ATOM 16339 H2 TIP3 3343 -2.149 16.074 -30.188 1.00 0.00 WAT +ATOM 16340 OH2 TIP3 3344 6.003 25.738 -37.497 1.00 0.00 WAT +ATOM 16341 H1 TIP3 3344 5.700 25.540 -38.387 1.00 0.00 WAT +ATOM 16342 H2 TIP3 3344 5.574 26.592 -37.313 1.00 0.00 WAT +ATOM 16343 OH2 TIP3 3345 1.105 23.599 -31.122 1.00 0.00 WAT +ATOM 16344 H1 TIP3 3345 0.516 24.288 -30.746 1.00 0.00 WAT +ATOM 16345 H2 TIP3 3345 1.841 24.133 -31.476 1.00 0.00 WAT +ATOM 16346 OH2 TIP3 3346 9.371 16.624 -34.689 1.00 0.00 WAT +ATOM 16347 H1 TIP3 3346 9.043 15.978 -34.052 1.00 0.00 WAT +ATOM 16348 H2 TIP3 3346 9.904 17.210 -34.125 1.00 0.00 WAT +ATOM 16349 OH2 TIP3 3347 -1.554 18.180 -32.745 1.00 0.00 WAT +ATOM 16350 H1 TIP3 3347 -0.971 18.937 -32.627 1.00 0.00 WAT +ATOM 16351 H2 TIP3 3347 -1.133 17.743 -33.522 1.00 0.00 WAT +ATOM 16352 OH2 TIP3 3348 -0.520 25.681 -30.055 1.00 0.00 WAT +ATOM 16353 H1 TIP3 3348 -0.533 26.612 -30.344 1.00 0.00 WAT +ATOM 16354 H2 TIP3 3348 -1.380 25.638 -29.592 1.00 0.00 WAT +ATOM 16355 OH2 TIP3 3349 -4.225 25.599 -39.319 1.00 0.00 WAT +ATOM 16356 H1 TIP3 3349 -4.791 26.219 -39.791 1.00 0.00 WAT +ATOM 16357 H2 TIP3 3349 -3.974 26.157 -38.547 1.00 0.00 WAT +ATOM 16358 OH2 TIP3 3350 9.200 26.892 -32.389 1.00 0.00 WAT +ATOM 16359 H1 TIP3 3350 8.233 27.020 -32.365 1.00 0.00 WAT +ATOM 16360 H2 TIP3 3350 9.485 27.750 -32.752 1.00 0.00 WAT +ATOM 16361 OH2 TIP3 3351 9.542 15.743 -30.857 1.00 0.00 WAT +ATOM 16362 H1 TIP3 3351 8.754 16.130 -31.286 1.00 0.00 WAT +ATOM 16363 H2 TIP3 3351 10.250 15.951 -31.496 1.00 0.00 WAT +ATOM 16364 OH2 TIP3 3352 2.658 13.484 -33.809 1.00 0.00 WAT +ATOM 16365 H1 TIP3 3352 2.441 12.534 -33.857 1.00 0.00 WAT +ATOM 16366 H2 TIP3 3352 1.833 13.856 -33.430 1.00 0.00 WAT +ATOM 16367 OH2 TIP3 3353 7.502 28.834 -35.826 1.00 0.00 WAT +ATOM 16368 H1 TIP3 3353 7.993 28.051 -36.144 1.00 0.00 WAT +ATOM 16369 H2 TIP3 3353 8.183 29.530 -35.920 1.00 0.00 WAT +ATOM 16370 OH2 TIP3 3354 8.958 26.696 -37.207 1.00 0.00 WAT +ATOM 16371 H1 TIP3 3354 8.440 26.232 -37.879 1.00 0.00 WAT +ATOM 16372 H2 TIP3 3354 8.908 26.066 -36.463 1.00 0.00 WAT +ATOM 16373 OH2 TIP3 3355 10.488 25.526 -28.707 1.00 0.00 WAT +ATOM 16374 H1 TIP3 3355 10.397 24.869 -29.421 1.00 0.00 WAT +ATOM 16375 H2 TIP3 3355 10.621 26.353 -29.208 1.00 0.00 WAT +ATOM 16376 OH2 TIP3 3356 4.779 22.420 -39.049 1.00 0.00 WAT +ATOM 16377 H1 TIP3 3356 4.117 23.030 -39.427 1.00 0.00 WAT +ATOM 16378 H2 TIP3 3356 5.507 22.496 -39.684 1.00 0.00 WAT +ATOM 16379 OH2 TIP3 3357 4.963 20.637 -42.050 1.00 0.00 WAT +ATOM 16380 H1 TIP3 3357 5.656 20.956 -41.447 1.00 0.00 WAT +ATOM 16381 H2 TIP3 3357 5.497 20.034 -42.614 1.00 0.00 WAT +ATOM 16382 OH2 TIP3 3358 12.256 21.681 -30.771 1.00 0.00 WAT +ATOM 16383 H1 TIP3 3358 11.536 22.334 -30.668 1.00 0.00 WAT +ATOM 16384 H2 TIP3 3358 12.728 22.045 -31.545 1.00 0.00 WAT +ATOM 16385 OH2 TIP3 3359 8.267 22.420 -37.936 1.00 0.00 WAT +ATOM 16386 H1 TIP3 3359 7.586 22.628 -37.257 1.00 0.00 WAT +ATOM 16387 H2 TIP3 3359 8.871 21.854 -37.420 1.00 0.00 WAT +ATOM 16388 OH2 TIP3 3360 8.096 20.976 -29.070 1.00 0.00 WAT +ATOM 16389 H1 TIP3 3360 8.181 21.801 -28.563 1.00 0.00 WAT +ATOM 16390 H2 TIP3 3360 7.452 21.273 -29.731 1.00 0.00 WAT +ATOM 16391 OH2 TIP3 3361 -0.163 23.194 -36.171 1.00 0.00 WAT +ATOM 16392 H1 TIP3 3361 -0.426 22.734 -36.994 1.00 0.00 WAT +ATOM 16393 H2 TIP3 3361 0.444 22.558 -35.761 1.00 0.00 WAT +ATOM 16394 OH2 TIP3 3362 1.216 26.591 -33.414 1.00 0.00 WAT +ATOM 16395 H1 TIP3 3362 1.147 26.198 -34.294 1.00 0.00 WAT +ATOM 16396 H2 TIP3 3362 2.012 26.148 -33.062 1.00 0.00 WAT +ATOM 16397 OH2 TIP3 3363 6.401 27.517 -32.088 1.00 0.00 WAT +ATOM 16398 H1 TIP3 3363 6.421 28.196 -31.391 1.00 0.00 WAT +ATOM 16399 H2 TIP3 3363 6.180 26.702 -31.605 1.00 0.00 WAT +ATOM 16400 OH2 TIP3 3364 1.293 26.356 -27.845 1.00 0.00 WAT +ATOM 16401 H1 TIP3 3364 0.772 27.021 -27.357 1.00 0.00 WAT +ATOM 16402 H2 TIP3 3364 0.654 26.079 -28.529 1.00 0.00 WAT +ATOM 16403 OH2 TIP3 3365 7.342 21.891 -40.567 1.00 0.00 WAT +ATOM 16404 H1 TIP3 3365 7.768 22.145 -39.721 1.00 0.00 WAT +ATOM 16405 H2 TIP3 3365 7.947 22.307 -41.211 1.00 0.00 WAT +ATOM 16406 OH2 TIP3 3366 -1.945 22.912 -28.912 1.00 0.00 WAT +ATOM 16407 H1 TIP3 3366 -1.711 23.295 -28.048 1.00 0.00 WAT +ATOM 16408 H2 TIP3 3366 -2.841 22.574 -28.735 1.00 0.00 WAT +ATOM 16409 OH2 TIP3 3367 4.656 28.467 -36.943 1.00 0.00 WAT +ATOM 16410 H1 TIP3 3367 5.177 28.739 -36.177 1.00 0.00 WAT +ATOM 16411 H2 TIP3 3367 4.213 29.290 -37.200 1.00 0.00 WAT +ATOM 16412 OH2 TIP3 3368 -0.603 28.514 -27.021 1.00 0.00 WAT +ATOM 16413 H1 TIP3 3368 -0.717 28.550 -27.987 1.00 0.00 WAT +ATOM 16414 H2 TIP3 3368 -1.483 28.237 -26.704 1.00 0.00 WAT +ATOM 16415 OH2 TIP3 3369 10.606 13.447 -40.574 1.00 0.00 WAT +ATOM 16416 H1 TIP3 3369 9.731 13.730 -40.245 1.00 0.00 WAT +ATOM 16417 H2 TIP3 3369 10.867 14.198 -41.126 1.00 0.00 WAT +ATOM 16418 OH2 TIP3 3370 -1.216 21.924 -38.587 1.00 0.00 WAT +ATOM 16419 H1 TIP3 3370 -1.424 22.659 -39.187 1.00 0.00 WAT +ATOM 16420 H2 TIP3 3370 -1.855 21.249 -38.851 1.00 0.00 WAT +ATOM 16421 OH2 TIP3 3371 11.802 27.860 -42.495 1.00 0.00 WAT +ATOM 16422 H1 TIP3 3371 12.120 28.672 -42.070 1.00 0.00 WAT +ATOM 16423 H2 TIP3 3371 12.556 27.252 -42.419 1.00 0.00 WAT +ATOM 16424 OH2 TIP3 3372 -5.131 24.608 -29.906 1.00 0.00 WAT +ATOM 16425 H1 TIP3 3372 -5.630 24.613 -30.747 1.00 0.00 WAT +ATOM 16426 H2 TIP3 3372 -5.046 23.657 -29.715 1.00 0.00 WAT +ATOM 16427 OH2 TIP3 3373 -5.083 27.528 -32.979 1.00 0.00 WAT +ATOM 16428 H1 TIP3 3373 -4.153 27.274 -32.883 1.00 0.00 WAT +ATOM 16429 H2 TIP3 3373 -5.186 28.146 -32.241 1.00 0.00 WAT +ATOM 16430 OH2 TIP3 3374 13.285 28.145 -27.197 1.00 0.00 WAT +ATOM 16431 H1 TIP3 3374 13.177 27.192 -27.367 1.00 0.00 WAT +ATOM 16432 H2 TIP3 3374 12.378 28.383 -26.904 1.00 0.00 WAT +ATOM 16433 OH2 TIP3 3375 3.952 27.373 -28.386 1.00 0.00 WAT +ATOM 16434 H1 TIP3 3375 4.013 28.204 -27.873 1.00 0.00 WAT +ATOM 16435 H2 TIP3 3375 3.042 27.079 -28.177 1.00 0.00 WAT +ATOM 16436 OH2 TIP3 3376 4.247 31.162 -38.479 1.00 0.00 WAT +ATOM 16437 H1 TIP3 3376 4.259 31.304 -39.442 1.00 0.00 WAT +ATOM 16438 H2 TIP3 3376 4.272 32.069 -38.131 1.00 0.00 WAT +ATOM 16439 OH2 TIP3 3377 -1.981 30.257 -36.837 1.00 0.00 WAT +ATOM 16440 H1 TIP3 3377 -1.799 29.868 -35.956 1.00 0.00 WAT +ATOM 16441 H2 TIP3 3377 -2.898 29.989 -36.974 1.00 0.00 WAT +ATOM 16442 OH2 TIP3 3378 7.477 30.776 -41.395 1.00 0.00 WAT +ATOM 16443 H1 TIP3 3378 7.930 30.198 -42.043 1.00 0.00 WAT +ATOM 16444 H2 TIP3 3378 7.520 30.241 -40.586 1.00 0.00 WAT +ATOM 16445 OH2 TIP3 3379 6.958 30.042 -38.633 1.00 0.00 WAT +ATOM 16446 H1 TIP3 3379 6.033 30.240 -38.407 1.00 0.00 WAT +ATOM 16447 H2 TIP3 3379 7.183 29.393 -37.949 1.00 0.00 WAT +ATOM 16448 OH2 TIP3 3380 10.134 19.500 -26.805 1.00 0.00 WAT +ATOM 16449 H1 TIP3 3380 9.532 19.895 -27.452 1.00 0.00 WAT +ATOM 16450 H2 TIP3 3380 10.130 18.564 -27.075 1.00 0.00 WAT +ATOM 16451 OH2 TIP3 3381 -2.925 26.156 -28.669 1.00 0.00 WAT +ATOM 16452 H1 TIP3 3381 -2.656 25.689 -27.851 1.00 0.00 WAT +ATOM 16453 H2 TIP3 3381 -3.665 25.612 -28.993 1.00 0.00 WAT +ATOM 16454 OH2 TIP3 3382 0.242 14.661 -32.907 1.00 0.00 WAT +ATOM 16455 H1 TIP3 3382 -0.581 14.556 -33.415 1.00 0.00 WAT +ATOM 16456 H2 TIP3 3382 -0.042 15.329 -32.262 1.00 0.00 WAT +ATOM 16457 OH2 TIP3 3383 4.878 13.891 -28.998 1.00 0.00 WAT +ATOM 16458 H1 TIP3 3383 4.944 13.325 -28.217 1.00 0.00 WAT +ATOM 16459 H2 TIP3 3383 3.914 13.950 -29.104 1.00 0.00 WAT +ATOM 16460 OH2 TIP3 3384 7.753 17.987 -28.646 1.00 0.00 WAT +ATOM 16461 H1 TIP3 3384 7.128 17.826 -27.910 1.00 0.00 WAT +ATOM 16462 H2 TIP3 3384 7.655 18.937 -28.820 1.00 0.00 WAT +ATOM 16463 OH2 TIP3 3385 9.590 22.677 -42.514 1.00 0.00 WAT +ATOM 16464 H1 TIP3 3385 9.095 22.524 -43.335 1.00 0.00 WAT +ATOM 16465 H2 TIP3 3385 9.886 23.583 -42.674 1.00 0.00 WAT +ATOM 16466 OH2 TIP3 3386 4.445 16.580 -42.151 1.00 0.00 WAT +ATOM 16467 H1 TIP3 3386 3.874 16.619 -41.373 1.00 0.00 WAT +ATOM 16468 H2 TIP3 3386 3.980 15.920 -42.680 1.00 0.00 WAT +ATOM 16469 OH2 TIP3 3387 0.073 19.529 -36.589 1.00 0.00 WAT +ATOM 16470 H1 TIP3 3387 -0.877 19.427 -36.780 1.00 0.00 WAT +ATOM 16471 H2 TIP3 3387 0.447 19.318 -37.471 1.00 0.00 WAT +ATOM 16472 OH2 TIP3 3388 5.712 20.039 -37.862 1.00 0.00 WAT +ATOM 16473 H1 TIP3 3388 5.307 20.864 -38.202 1.00 0.00 WAT +ATOM 16474 H2 TIP3 3388 6.358 19.840 -38.563 1.00 0.00 WAT +ATOM 16475 OH2 TIP3 3389 6.491 19.442 -35.049 1.00 0.00 WAT +ATOM 16476 H1 TIP3 3389 6.223 20.019 -35.792 1.00 0.00 WAT +ATOM 16477 H2 TIP3 3389 6.717 18.635 -35.555 1.00 0.00 WAT +ATOM 16478 OH2 TIP3 3390 -2.678 19.621 -29.732 1.00 0.00 WAT +ATOM 16479 H1 TIP3 3390 -2.118 19.852 -28.981 1.00 0.00 WAT +ATOM 16480 H2 TIP3 3390 -2.879 18.689 -29.542 1.00 0.00 WAT +ATOM 16481 OH2 TIP3 3391 1.201 17.026 -43.114 1.00 0.00 WAT +ATOM 16482 H1 TIP3 3391 0.787 16.710 -42.290 1.00 0.00 WAT +ATOM 16483 H2 TIP3 3391 0.428 17.446 -43.550 1.00 0.00 WAT +ATOM 16484 OH2 TIP3 3392 -5.683 17.093 -35.962 1.00 0.00 WAT +ATOM 16485 H1 TIP3 3392 -5.018 17.003 -35.259 1.00 0.00 WAT +ATOM 16486 H2 TIP3 3392 -5.263 16.679 -36.739 1.00 0.00 WAT +ATOM 16487 OH2 TIP3 3393 -4.037 17.547 -40.268 1.00 0.00 WAT +ATOM 16488 H1 TIP3 3393 -3.557 17.916 -41.030 1.00 0.00 WAT +ATOM 16489 H2 TIP3 3393 -4.820 18.117 -40.203 1.00 0.00 WAT +ATOM 16490 OH2 TIP3 3394 5.471 21.016 -30.502 1.00 0.00 WAT +ATOM 16491 H1 TIP3 3394 5.985 20.357 -31.023 1.00 0.00 WAT +ATOM 16492 H2 TIP3 3394 5.306 20.536 -29.680 1.00 0.00 WAT +ATOM 16493 OH2 TIP3 3395 2.772 17.064 -35.590 1.00 0.00 WAT +ATOM 16494 H1 TIP3 3395 1.833 16.992 -35.358 1.00 0.00 WAT +ATOM 16495 H2 TIP3 3395 3.204 16.878 -34.740 1.00 0.00 WAT +ATOM 16496 OH2 TIP3 3396 -2.608 18.331 -36.914 1.00 0.00 WAT +ATOM 16497 H1 TIP3 3396 -3.435 18.556 -37.373 1.00 0.00 WAT +ATOM 16498 H2 TIP3 3396 -2.311 17.532 -37.391 1.00 0.00 WAT +ATOM 16499 OH2 TIP3 3397 0.987 18.765 -39.181 1.00 0.00 WAT +ATOM 16500 H1 TIP3 3397 1.960 18.730 -39.168 1.00 0.00 WAT +ATOM 16501 H2 TIP3 3397 0.779 19.266 -39.986 1.00 0.00 WAT +ATOM 16502 OH2 TIP3 3398 7.135 16.254 -32.454 1.00 0.00 WAT +ATOM 16503 H1 TIP3 3398 6.472 16.270 -31.728 1.00 0.00 WAT +ATOM 16504 H2 TIP3 3398 6.588 15.894 -33.172 1.00 0.00 WAT +ATOM 16505 OH2 TIP3 3399 -0.459 19.897 -41.608 1.00 0.00 WAT +ATOM 16506 H1 TIP3 3399 -1.047 19.339 -42.143 1.00 0.00 WAT +ATOM 16507 H2 TIP3 3399 0.309 19.996 -42.188 1.00 0.00 WAT +ATOM 16508 OH2 TIP3 3400 10.179 32.039 -25.885 1.00 0.00 WAT +ATOM 16509 H1 TIP3 3400 10.426 32.448 -26.733 1.00 0.00 WAT +ATOM 16510 H2 TIP3 3400 10.917 32.310 -25.313 1.00 0.00 WAT +ATOM 16511 OH2 TIP3 3401 -1.881 24.619 -26.461 1.00 0.00 WAT +ATOM 16512 H1 TIP3 3401 -1.206 24.701 -25.756 1.00 0.00 WAT +ATOM 16513 H2 TIP3 3401 -2.687 24.614 -25.910 1.00 0.00 WAT +ATOM 16514 OH2 TIP3 3402 3.783 19.637 -33.796 1.00 0.00 WAT +ATOM 16515 H1 TIP3 3402 4.553 19.199 -34.192 1.00 0.00 WAT +ATOM 16516 H2 TIP3 3402 3.635 19.118 -32.984 1.00 0.00 WAT +ATOM 16517 OH2 TIP3 3403 -0.833 16.048 -37.568 1.00 0.00 WAT +ATOM 16518 H1 TIP3 3403 -1.422 15.280 -37.485 1.00 0.00 WAT +ATOM 16519 H2 TIP3 3403 -0.042 15.653 -37.962 1.00 0.00 WAT +ATOM 16520 OH2 TIP3 3404 2.541 18.569 -31.251 1.00 0.00 WAT +ATOM 16521 H1 TIP3 3404 1.711 18.572 -30.776 1.00 0.00 WAT +ATOM 16522 H2 TIP3 3404 3.158 18.497 -30.500 1.00 0.00 WAT +ATOM 16523 OH2 TIP3 3405 2.926 24.499 -39.635 1.00 0.00 WAT +ATOM 16524 H1 TIP3 3405 2.163 23.987 -39.972 1.00 0.00 WAT +ATOM 16525 H2 TIP3 3405 2.741 24.547 -38.668 1.00 0.00 WAT +ATOM 16526 OH2 TIP3 3406 10.161 23.634 -30.874 1.00 0.00 WAT +ATOM 16527 H1 TIP3 3406 10.660 24.179 -31.521 1.00 0.00 WAT +ATOM 16528 H2 TIP3 3406 9.305 23.528 -31.333 1.00 0.00 WAT +ATOM 16529 OH2 TIP3 3407 7.103 17.222 -41.811 1.00 0.00 WAT +ATOM 16530 H1 TIP3 3407 6.124 17.215 -41.870 1.00 0.00 WAT +ATOM 16531 H2 TIP3 3407 7.302 18.007 -41.263 1.00 0.00 WAT +ATOM 16532 OH2 TIP3 3408 4.464 24.439 -28.338 1.00 0.00 WAT +ATOM 16533 H1 TIP3 3408 4.317 24.114 -27.438 1.00 0.00 WAT +ATOM 16534 H2 TIP3 3408 4.278 25.388 -28.255 1.00 0.00 WAT +ATOM 16535 OH2 TIP3 3409 7.702 19.101 -39.871 1.00 0.00 WAT +ATOM 16536 H1 TIP3 3409 8.571 18.919 -39.461 1.00 0.00 WAT +ATOM 16537 H2 TIP3 3409 7.851 19.964 -40.297 1.00 0.00 WAT +ATOM 16538 OH2 TIP3 3410 -1.799 23.798 -33.735 1.00 0.00 WAT +ATOM 16539 H1 TIP3 3410 -1.277 23.728 -34.555 1.00 0.00 WAT +ATOM 16540 H2 TIP3 3410 -1.740 22.903 -33.374 1.00 0.00 WAT +ATOM 16541 OH2 TIP3 3411 5.382 25.812 -40.681 1.00 0.00 WAT +ATOM 16542 H1 TIP3 3411 5.094 26.701 -40.386 1.00 0.00 WAT +ATOM 16543 H2 TIP3 3411 4.602 25.286 -40.425 1.00 0.00 WAT +ATOM 16544 OH2 TIP3 3412 -4.666 22.115 -28.516 1.00 0.00 WAT +ATOM 16545 H1 TIP3 3412 -4.496 21.667 -27.663 1.00 0.00 WAT +ATOM 16546 H2 TIP3 3412 -5.291 21.515 -28.953 1.00 0.00 WAT +ATOM 16547 OH2 TIP3 3413 2.310 21.754 -26.637 1.00 0.00 WAT +ATOM 16548 H1 TIP3 3413 2.017 21.127 -27.311 1.00 0.00 WAT +ATOM 16549 H2 TIP3 3413 3.163 21.349 -26.433 1.00 0.00 WAT +ATOM 16550 OH2 TIP3 3414 6.832 27.047 -28.811 1.00 0.00 WAT +ATOM 16551 H1 TIP3 3414 5.869 27.168 -28.868 1.00 0.00 WAT +ATOM 16552 H2 TIP3 3414 7.012 27.318 -27.897 1.00 0.00 WAT +ATOM 16553 OH2 TIP3 3415 12.413 19.202 -39.976 1.00 0.00 WAT +ATOM 16554 H1 TIP3 3415 11.806 18.977 -40.708 1.00 0.00 WAT +ATOM 16555 H2 TIP3 3415 12.526 20.148 -40.176 1.00 0.00 WAT +ATOM 16556 OH2 TIP3 3416 12.823 25.184 -27.242 1.00 0.00 WAT +ATOM 16557 H1 TIP3 3416 11.881 25.389 -27.425 1.00 0.00 WAT +ATOM 16558 H2 TIP3 3416 13.148 24.991 -28.143 1.00 0.00 WAT +ATOM 16559 OH2 TIP3 3417 10.637 27.745 -39.916 1.00 0.00 WAT +ATOM 16560 H1 TIP3 3417 10.355 26.980 -39.395 1.00 0.00 WAT +ATOM 16561 H2 TIP3 3417 10.975 27.340 -40.730 1.00 0.00 WAT +ATOM 16562 OH2 TIP3 3418 7.815 23.064 -32.560 1.00 0.00 WAT +ATOM 16563 H1 TIP3 3418 6.884 22.914 -32.811 1.00 0.00 WAT +ATOM 16564 H2 TIP3 3418 8.258 22.348 -33.055 1.00 0.00 WAT +ATOM 16565 OH2 TIP3 3419 0.440 27.140 -36.539 1.00 0.00 WAT +ATOM 16566 H1 TIP3 3419 0.891 27.994 -36.641 1.00 0.00 WAT +ATOM 16567 H2 TIP3 3419 -0.469 27.378 -36.753 1.00 0.00 WAT +ATOM 16568 OH2 TIP3 3420 -3.555 22.359 -42.086 1.00 0.00 WAT +ATOM 16569 H1 TIP3 3420 -2.911 22.673 -41.423 1.00 0.00 WAT +ATOM 16570 H2 TIP3 3420 -4.377 22.230 -41.567 1.00 0.00 WAT +ATOM 16571 OH2 TIP3 3421 2.278 24.823 -36.921 1.00 0.00 WAT +ATOM 16572 H1 TIP3 3421 2.039 25.751 -36.770 1.00 0.00 WAT +ATOM 16573 H2 TIP3 3421 1.541 24.368 -36.488 1.00 0.00 WAT +ATOM 16574 OH2 TIP3 3422 2.446 29.099 -30.553 1.00 0.00 WAT +ATOM 16575 H1 TIP3 3422 2.996 29.852 -30.830 1.00 0.00 WAT +ATOM 16576 H2 TIP3 3422 3.066 28.609 -29.990 1.00 0.00 WAT +ATOM 16577 OH2 TIP3 3423 0.899 30.040 -37.332 1.00 0.00 WAT +ATOM 16578 H1 TIP3 3423 -0.055 30.197 -37.244 1.00 0.00 WAT +ATOM 16579 H2 TIP3 3423 1.261 30.911 -37.075 1.00 0.00 WAT +ATOM 16580 OH2 TIP3 3424 5.857 24.837 -30.989 1.00 0.00 WAT +ATOM 16581 H1 TIP3 3424 5.578 24.579 -30.093 1.00 0.00 WAT +ATOM 16582 H2 TIP3 3424 6.616 24.250 -31.143 1.00 0.00 WAT +ATOM 16583 OH2 TIP3 3425 8.009 26.092 -41.937 1.00 0.00 WAT +ATOM 16584 H1 TIP3 3425 8.499 25.662 -41.211 1.00 0.00 WAT +ATOM 16585 H2 TIP3 3425 7.109 26.029 -41.580 1.00 0.00 WAT +ATOM 16586 OH2 TIP3 3426 8.791 29.426 -28.585 1.00 0.00 WAT +ATOM 16587 H1 TIP3 3426 8.040 28.970 -29.013 1.00 0.00 WAT +ATOM 16588 H2 TIP3 3426 8.902 30.213 -29.150 1.00 0.00 WAT +ATOM 16589 OH2 TIP3 3427 12.916 30.596 -41.596 1.00 0.00 WAT +ATOM 16590 H1 TIP3 3427 13.607 31.276 -41.439 1.00 0.00 WAT +ATOM 16591 H2 TIP3 3427 12.111 31.096 -41.342 1.00 0.00 WAT +ATOM 16592 OH2 TIP3 3428 -3.348 16.795 -28.923 1.00 0.00 WAT +ATOM 16593 H1 TIP3 3428 -4.259 17.046 -29.168 1.00 0.00 WAT +ATOM 16594 H2 TIP3 3428 -3.490 15.928 -28.504 1.00 0.00 WAT +ATOM 16595 OH2 TIP3 3429 9.000 24.732 -39.681 1.00 0.00 WAT +ATOM 16596 H1 TIP3 3429 8.736 24.029 -39.060 1.00 0.00 WAT +ATOM 16597 H2 TIP3 3429 9.972 24.709 -39.596 1.00 0.00 WAT +ATOM 16598 OH2 TIP3 3430 -3.581 28.533 -30.508 1.00 0.00 WAT +ATOM 16599 H1 TIP3 3430 -3.276 27.635 -30.308 1.00 0.00 WAT +ATOM 16600 H2 TIP3 3430 -3.383 28.977 -29.674 1.00 0.00 WAT +ATOM 16601 OH2 TIP3 3431 2.494 27.163 -43.252 1.00 0.00 WAT +ATOM 16602 H1 TIP3 3431 2.895 26.330 -43.556 1.00 0.00 WAT +ATOM 16603 H2 TIP3 3431 1.945 26.844 -42.514 1.00 0.00 WAT +ATOM 16604 OH2 TIP3 3432 0.894 26.685 -40.680 1.00 0.00 WAT +ATOM 16605 H1 TIP3 3432 1.512 26.171 -40.141 1.00 0.00 WAT +ATOM 16606 H2 TIP3 3432 1.160 27.606 -40.496 1.00 0.00 WAT +ATOM 16607 OH2 TIP3 3433 -2.096 24.121 -40.379 1.00 0.00 WAT +ATOM 16608 H1 TIP3 3433 -2.749 24.608 -39.837 1.00 0.00 WAT +ATOM 16609 H2 TIP3 3433 -1.524 24.859 -40.663 1.00 0.00 WAT +ATOM 16610 OH2 TIP3 3434 5.441 16.699 -30.362 1.00 0.00 WAT +ATOM 16611 H1 TIP3 3434 5.893 17.166 -29.646 1.00 0.00 WAT +ATOM 16612 H2 TIP3 3434 4.967 16.013 -29.873 1.00 0.00 WAT +ATOM 16613 OH2 TIP3 3435 6.211 16.177 -39.204 1.00 0.00 WAT +ATOM 16614 H1 TIP3 3435 6.508 16.667 -39.990 1.00 0.00 WAT +ATOM 16615 H2 TIP3 3435 6.732 16.593 -38.500 1.00 0.00 WAT +ATOM 16616 OH2 TIP3 3436 4.006 28.298 -40.305 1.00 0.00 WAT +ATOM 16617 H1 TIP3 3436 3.255 28.830 -40.004 1.00 0.00 WAT +ATOM 16618 H2 TIP3 3436 4.557 28.973 -40.720 1.00 0.00 WAT +ATOM 16619 OH2 TIP3 3437 3.644 18.090 -38.153 1.00 0.00 WAT +ATOM 16620 H1 TIP3 3437 4.438 18.645 -38.012 1.00 0.00 WAT +ATOM 16621 H2 TIP3 3437 3.359 17.915 -37.236 1.00 0.00 WAT +ATOM 16622 OH2 TIP3 3438 4.298 15.099 -37.237 1.00 0.00 WAT +ATOM 16623 H1 TIP3 3438 4.085 15.789 -36.582 1.00 0.00 WAT +ATOM 16624 H2 TIP3 3438 5.001 15.540 -37.756 1.00 0.00 WAT +ATOM 16625 OH2 TIP3 3439 1.163 29.511 -40.269 1.00 0.00 WAT +ATOM 16626 H1 TIP3 3439 1.280 30.364 -40.737 1.00 0.00 WAT +ATOM 16627 H2 TIP3 3439 1.095 29.790 -39.338 1.00 0.00 WAT +ATOM 16628 OH2 TIP3 3440 0.004 16.186 -40.795 1.00 0.00 WAT +ATOM 16629 H1 TIP3 3440 -0.058 16.871 -40.113 1.00 0.00 WAT +ATOM 16630 H2 TIP3 3440 0.738 15.637 -40.462 1.00 0.00 WAT +ATOM 16631 OH2 TIP3 3441 10.264 16.918 -28.156 1.00 0.00 WAT +ATOM 16632 H1 TIP3 3441 9.315 17.122 -28.283 1.00 0.00 WAT +ATOM 16633 H2 TIP3 3441 10.516 16.806 -29.084 1.00 0.00 WAT +ATOM 16634 OH2 TIP3 3442 8.818 20.817 -34.083 1.00 0.00 WAT +ATOM 16635 H1 TIP3 3442 8.001 20.361 -34.357 1.00 0.00 WAT +ATOM 16636 H2 TIP3 3442 9.305 20.105 -33.614 1.00 0.00 WAT +ATOM 16637 OH2 TIP3 3443 -1.949 26.809 -41.597 1.00 0.00 WAT +ATOM 16638 H1 TIP3 3443 -1.252 27.285 -41.117 1.00 0.00 WAT +ATOM 16639 H2 TIP3 3443 -1.431 26.474 -42.347 1.00 0.00 WAT +ATOM 16640 OH2 TIP3 3444 -3.298 19.277 -42.646 1.00 0.00 WAT +ATOM 16641 H1 TIP3 3444 -3.286 20.209 -42.387 1.00 0.00 WAT +ATOM 16642 H2 TIP3 3444 -4.218 19.144 -42.939 1.00 0.00 WAT +ATOM 16643 OH2 TIP3 3445 9.838 29.671 -32.693 1.00 0.00 WAT +ATOM 16644 H1 TIP3 3445 9.661 30.484 -33.208 1.00 0.00 WAT +ATOM 16645 H2 TIP3 3445 10.765 29.823 -32.452 1.00 0.00 WAT +ATOM 16646 OH2 TIP3 3446 -2.567 14.204 -33.710 1.00 0.00 WAT +ATOM 16647 H1 TIP3 3446 -2.743 14.168 -34.673 1.00 0.00 WAT +ATOM 16648 H2 TIP3 3446 -2.897 13.340 -33.403 1.00 0.00 WAT +ATOM 16649 OH2 TIP3 3447 -3.750 27.615 -37.509 1.00 0.00 WAT +ATOM 16650 H1 TIP3 3447 -4.441 28.202 -37.171 1.00 0.00 WAT +ATOM 16651 H2 TIP3 3447 -3.239 28.205 -38.080 1.00 0.00 WAT +ATOM 16652 OH2 TIP3 3448 -4.238 30.579 -26.302 1.00 0.00 WAT +ATOM 16653 H1 TIP3 3448 -3.685 30.311 -25.543 1.00 0.00 WAT +ATOM 16654 H2 TIP3 3448 -4.645 29.730 -26.563 1.00 0.00 WAT +ATOM 16655 OH2 TIP3 3449 0.411 29.577 -24.422 1.00 0.00 WAT +ATOM 16656 H1 TIP3 3449 1.153 28.960 -24.317 1.00 0.00 WAT +ATOM 16657 H2 TIP3 3449 0.181 29.420 -25.352 1.00 0.00 WAT +ATOM 16658 OH2 TIP3 3450 4.648 29.009 -43.339 1.00 0.00 WAT +ATOM 16659 H1 TIP3 3450 3.856 28.443 -43.244 1.00 0.00 WAT +ATOM 16660 H2 TIP3 3450 5.319 28.334 -43.522 1.00 0.00 WAT +ATOM 16661 OH2 TIP3 3451 6.891 27.926 -25.897 1.00 0.00 WAT +ATOM 16662 H1 TIP3 3451 6.526 27.093 -25.542 1.00 0.00 WAT +ATOM 16663 H2 TIP3 3451 7.610 28.124 -25.270 1.00 0.00 WAT +ATOM 16664 OH2 TIP3 3452 8.515 28.686 -42.906 1.00 0.00 WAT +ATOM 16665 H1 TIP3 3452 8.804 27.904 -42.415 1.00 0.00 WAT +ATOM 16666 H2 TIP3 3452 9.350 29.133 -43.156 1.00 0.00 WAT +ATOM 16667 OH2 TIP3 3453 -4.305 24.209 -25.152 1.00 0.00 WAT +ATOM 16668 H1 TIP3 3453 -4.203 23.310 -25.502 1.00 0.00 WAT +ATOM 16669 H2 TIP3 3453 -5.065 24.525 -25.679 1.00 0.00 WAT +ATOM 16670 OH2 TIP3 3454 -0.063 24.814 -43.029 1.00 0.00 WAT +ATOM 16671 H1 TIP3 3454 0.110 24.074 -42.432 1.00 0.00 WAT +ATOM 16672 H2 TIP3 3454 0.567 24.648 -43.747 1.00 0.00 WAT +ATOM 16673 OH2 TIP3 3455 2.359 24.534 -25.783 1.00 0.00 WAT +ATOM 16674 H1 TIP3 3455 2.053 24.806 -26.664 1.00 0.00 WAT +ATOM 16675 H2 TIP3 3455 2.511 23.575 -25.903 1.00 0.00 WAT +ATOM 16676 OH2 TIP3 3456 5.263 25.816 -43.472 1.00 0.00 WAT +ATOM 16677 H1 TIP3 3456 5.428 25.930 -42.518 1.00 0.00 WAT +ATOM 16678 H2 TIP3 3456 5.914 25.143 -43.719 1.00 0.00 WAT +ATOM 16679 OH2 TIP3 3457 7.688 24.016 -28.445 1.00 0.00 WAT +ATOM 16680 H1 TIP3 3457 8.496 24.527 -28.614 1.00 0.00 WAT +ATOM 16681 H2 TIP3 3457 7.024 24.723 -28.443 1.00 0.00 WAT +ATOM 16682 OH2 TIP3 3458 -3.394 21.331 -26.018 1.00 0.00 WAT +ATOM 16683 H1 TIP3 3458 -2.725 20.628 -26.016 1.00 0.00 WAT +ATOM 16684 H2 TIP3 3458 -3.429 21.551 -25.073 1.00 0.00 WAT +ATOM 16685 OH2 TIP3 3459 0.975 22.715 -40.886 1.00 0.00 WAT +ATOM 16686 H1 TIP3 3459 0.409 22.196 -40.298 1.00 0.00 WAT +ATOM 16687 H2 TIP3 3459 1.354 22.020 -41.458 1.00 0.00 WAT +ATOM 16688 OH2 TIP3 3460 0.145 20.682 -29.086 1.00 0.00 WAT +ATOM 16689 H1 TIP3 3460 -0.185 20.915 -28.206 1.00 0.00 WAT +ATOM 16690 H2 TIP3 3460 1.113 20.693 -28.949 1.00 0.00 WAT +ATOM 16691 OH2 TIP3 3461 2.179 20.875 -42.766 1.00 0.00 WAT +ATOM 16692 H1 TIP3 3461 2.219 20.548 -43.678 1.00 0.00 WAT +ATOM 16693 H2 TIP3 3461 3.128 20.821 -42.520 1.00 0.00 WAT +ATOM 16694 OH2 TIP3 3462 5.344 22.945 -25.211 1.00 0.00 WAT +ATOM 16695 H1 TIP3 3462 6.291 22.850 -25.395 1.00 0.00 WAT +ATOM 16696 H2 TIP3 3462 5.232 22.277 -24.512 1.00 0.00 WAT +ATOM 16697 OH2 TIP3 3463 0.962 16.120 -29.818 1.00 0.00 WAT +ATOM 16698 H1 TIP3 3463 1.525 16.803 -30.193 1.00 0.00 WAT +ATOM 16699 H2 TIP3 3463 0.085 16.242 -30.228 1.00 0.00 WAT +ATOM 16700 OH2 TIP3 3464 2.615 21.584 -29.909 1.00 0.00 WAT +ATOM 16701 H1 TIP3 3464 3.576 21.490 -30.031 1.00 0.00 WAT +ATOM 16702 H2 TIP3 3464 2.531 22.544 -29.803 1.00 0.00 WAT +ATOM 16703 OH2 TIP3 3465 7.166 19.692 -24.825 1.00 0.00 WAT +ATOM 16704 H1 TIP3 3465 7.319 18.743 -24.741 1.00 0.00 WAT +ATOM 16705 H2 TIP3 3465 8.054 20.062 -24.747 1.00 0.00 WAT +ATOM 16706 OH2 TIP3 3466 8.303 22.489 -26.215 1.00 0.00 WAT +ATOM 16707 H1 TIP3 3466 7.950 23.073 -26.915 1.00 0.00 WAT +ATOM 16708 H2 TIP3 3466 9.170 22.270 -26.602 1.00 0.00 WAT +ATOM 16709 OH2 TIP3 3467 -0.756 19.494 -25.988 1.00 0.00 WAT +ATOM 16710 H1 TIP3 3467 -1.303 18.701 -25.840 1.00 0.00 WAT +ATOM 16711 H2 TIP3 3467 0.094 19.110 -26.259 1.00 0.00 WAT +ATOM 16712 OH2 TIP3 3468 2.034 13.712 -29.645 1.00 0.00 WAT +ATOM 16713 H1 TIP3 3468 1.694 14.641 -29.629 1.00 0.00 WAT +ATOM 16714 H2 TIP3 3468 1.308 13.283 -30.134 1.00 0.00 WAT +ATOM 16715 OH2 TIP3 3469 5.851 17.095 -26.675 1.00 0.00 WAT +ATOM 16716 H1 TIP3 3469 4.947 17.457 -26.758 1.00 0.00 WAT +ATOM 16717 H2 TIP3 3469 5.733 16.452 -25.971 1.00 0.00 WAT +ATOM 16718 OH2 TIP3 3470 7.579 14.700 -25.063 1.00 0.00 WAT +ATOM 16719 H1 TIP3 3470 7.126 14.338 -24.286 1.00 0.00 WAT +ATOM 16720 H2 TIP3 3470 7.521 15.652 -24.862 1.00 0.00 WAT +ATOM 16721 OH2 TIP3 3471 -2.282 17.060 -25.803 1.00 0.00 WAT +ATOM 16722 H1 TIP3 3471 -2.409 16.344 -26.447 1.00 0.00 WAT +ATOM 16723 H2 TIP3 3471 -2.515 16.612 -24.969 1.00 0.00 WAT +ATOM 16724 OH2 TIP3 3472 1.684 13.025 -26.814 1.00 0.00 WAT +ATOM 16725 H1 TIP3 3472 2.354 12.330 -26.747 1.00 0.00 WAT +ATOM 16726 H2 TIP3 3472 1.719 13.236 -27.765 1.00 0.00 WAT +ATOM 16727 OH2 TIP3 3473 2.665 14.876 -24.948 1.00 0.00 WAT +ATOM 16728 H1 TIP3 3473 2.295 14.336 -25.675 1.00 0.00 WAT +ATOM 16729 H2 TIP3 3473 2.161 15.700 -25.024 1.00 0.00 WAT +ATOM 16730 OH2 TIP3 3474 1.782 31.927 -41.752 1.00 0.00 WAT +ATOM 16731 H1 TIP3 3474 2.716 32.129 -41.586 1.00 0.00 WAT +ATOM 16732 H2 TIP3 3474 1.528 32.591 -42.412 1.00 0.00 WAT +ATOM 16733 OH2 TIP3 3475 -5.300 31.510 -37.235 1.00 0.00 WAT +ATOM 16734 H1 TIP3 3475 -6.061 31.198 -37.765 1.00 0.00 WAT +ATOM 16735 H2 TIP3 3475 -5.301 30.874 -36.494 1.00 0.00 WAT +ATOM 16736 OH2 TIP3 3476 -4.945 29.537 -35.219 1.00 0.00 WAT +ATOM 16737 H1 TIP3 3476 -5.286 28.700 -34.861 1.00 0.00 WAT +ATOM 16738 H2 TIP3 3476 -4.646 29.943 -34.389 1.00 0.00 WAT +ATOM 16739 OH2 TIP3 3477 12.561 30.822 -32.190 1.00 0.00 WAT +ATOM 16740 H1 TIP3 3477 12.722 30.826 -31.234 1.00 0.00 WAT +ATOM 16741 H2 TIP3 3477 13.403 31.152 -32.529 1.00 0.00 WAT +ATOM 16742 OH2 TIP3 3478 12.454 30.293 -29.311 1.00 0.00 WAT +ATOM 16743 H1 TIP3 3478 11.944 29.547 -29.678 1.00 0.00 WAT +ATOM 16744 H2 TIP3 3478 13.009 29.820 -28.671 1.00 0.00 WAT +ATOM 16745 OH2 TIP3 3479 10.429 25.753 -25.056 1.00 0.00 WAT +ATOM 16746 H1 TIP3 3479 9.578 25.795 -24.587 1.00 0.00 WAT +ATOM 16747 H2 TIP3 3479 10.909 26.522 -24.705 1.00 0.00 WAT +ATOM 16748 OH2 TIP3 3480 11.850 24.560 -39.299 1.00 0.00 WAT +ATOM 16749 H1 TIP3 3480 12.750 24.911 -39.162 1.00 0.00 WAT +ATOM 16750 H2 TIP3 3480 11.805 23.919 -38.564 1.00 0.00 WAT +ATOM 16751 OH2 TIP3 3481 12.307 22.562 -37.319 1.00 0.00 WAT +ATOM 16752 H1 TIP3 3481 11.637 22.004 -36.878 1.00 0.00 WAT +ATOM 16753 H2 TIP3 3481 12.986 22.692 -36.629 1.00 0.00 WAT +ATOM 16754 OH2 TIP3 3482 12.036 25.078 -32.337 1.00 0.00 WAT +ATOM 16755 H1 TIP3 3482 12.663 24.592 -32.896 1.00 0.00 WAT +ATOM 16756 H2 TIP3 3482 12.167 25.993 -32.640 1.00 0.00 WAT +ATOM 16757 OH2 TIP3 3483 10.757 27.998 -30.095 1.00 0.00 WAT +ATOM 16758 H1 TIP3 3483 10.024 28.398 -29.595 1.00 0.00 WAT +ATOM 16759 H2 TIP3 3483 10.296 27.640 -30.879 1.00 0.00 WAT +ATOM 16760 OH2 TIP3 3484 12.602 22.243 -41.085 1.00 0.00 WAT +ATOM 16761 H1 TIP3 3484 11.959 22.512 -41.759 1.00 0.00 WAT +ATOM 16762 H2 TIP3 3484 12.406 22.898 -40.395 1.00 0.00 WAT +ATOM 16763 OH2 TIP3 3485 10.796 19.608 -42.156 1.00 0.00 WAT +ATOM 16764 H1 TIP3 3485 11.083 20.352 -42.709 1.00 0.00 WAT +ATOM 16765 H2 TIP3 3485 11.198 18.857 -42.601 1.00 0.00 WAT +ATOM 16766 OH2 TIP3 3486 10.238 20.711 -36.502 1.00 0.00 WAT +ATOM 16767 H1 TIP3 3486 10.163 19.757 -36.667 1.00 0.00 WAT +ATOM 16768 H2 TIP3 3486 9.862 20.798 -35.603 1.00 0.00 WAT +ATOM 16769 OH2 TIP3 3487 -4.833 22.854 -32.800 1.00 0.00 WAT +ATOM 16770 H1 TIP3 3487 -4.648 22.943 -33.752 1.00 0.00 WAT +ATOM 16771 H2 TIP3 3487 -3.935 22.827 -32.447 1.00 0.00 WAT +ATOM 16772 OH2 TIP3 3488 10.869 22.626 -27.453 1.00 0.00 WAT +ATOM 16773 H1 TIP3 3488 11.584 22.019 -27.182 1.00 0.00 WAT +ATOM 16774 H2 TIP3 3488 11.329 23.473 -27.520 1.00 0.00 WAT +ATOM 16775 OH2 TIP3 3489 12.424 20.784 -26.178 1.00 0.00 WAT +ATOM 16776 H1 TIP3 3489 11.630 20.236 -26.364 1.00 0.00 WAT +ATOM 16777 H2 TIP3 3489 13.122 20.103 -26.167 1.00 0.00 WAT +ATOM 16778 OH2 TIP3 3490 10.019 16.499 -43.333 1.00 0.00 WAT +ATOM 16779 H1 TIP3 3490 10.541 16.195 -42.581 1.00 0.00 WAT +ATOM 16780 H2 TIP3 3490 9.128 16.146 -43.157 1.00 0.00 WAT +ATOM 16781 OH2 TIP3 3491 10.040 18.249 -38.360 1.00 0.00 WAT +ATOM 16782 H1 TIP3 3491 10.305 17.304 -38.286 1.00 0.00 WAT +ATOM 16783 H2 TIP3 3491 10.855 18.626 -38.732 1.00 0.00 WAT +ATOM 16784 OH2 TIP3 3492 10.349 18.816 -32.885 1.00 0.00 WAT +ATOM 16785 H1 TIP3 3492 11.322 18.923 -32.913 1.00 0.00 WAT +ATOM 16786 H2 TIP3 3492 10.206 18.858 -31.922 1.00 0.00 WAT +ATOM 16787 OH2 TIP3 3493 10.482 19.507 -30.087 1.00 0.00 WAT +ATOM 16788 H1 TIP3 3493 9.649 19.904 -29.774 1.00 0.00 WAT +ATOM 16789 H2 TIP3 3493 11.024 20.299 -30.264 1.00 0.00 WAT +ATOM 16790 OH2 TIP3 3494 -5.009 18.276 -26.408 1.00 0.00 WAT +ATOM 16791 H1 TIP3 3494 -4.067 18.038 -26.370 1.00 0.00 WAT +ATOM 16792 H2 TIP3 3494 -5.431 17.401 -26.325 1.00 0.00 WAT +ATOM 16793 OH2 TIP3 3495 12.927 13.584 -24.830 1.00 0.00 WAT +ATOM 16794 H1 TIP3 3495 13.376 12.934 -25.399 1.00 0.00 WAT +ATOM 16795 H2 TIP3 3495 12.914 14.382 -25.389 1.00 0.00 WAT +ATOM 16796 OH2 TIP3 3496 10.554 15.521 -38.264 1.00 0.00 WAT +ATOM 16797 H1 TIP3 3496 10.716 15.121 -37.392 1.00 0.00 WAT +ATOM 16798 H2 TIP3 3496 9.803 14.984 -38.585 1.00 0.00 WAT +ATOM 16799 OH2 TIP3 3497 -4.062 16.744 -33.562 1.00 0.00 WAT +ATOM 16800 H1 TIP3 3497 -3.687 15.846 -33.503 1.00 0.00 WAT +ATOM 16801 H2 TIP3 3497 -3.399 17.259 -33.080 1.00 0.00 WAT +ATOM 16802 OH2 TIP3 3498 -5.696 19.291 -32.547 1.00 0.00 WAT +ATOM 16803 H1 TIP3 3498 -5.122 19.221 -33.324 1.00 0.00 WAT +ATOM 16804 H2 TIP3 3498 -5.350 20.085 -32.119 1.00 0.00 WAT +ATOM 16805 OH2 TIP3 3499 12.510 15.797 -26.524 1.00 0.00 WAT +ATOM 16806 H1 TIP3 3499 11.606 16.141 -26.393 1.00 0.00 WAT +ATOM 16807 H2 TIP3 3499 12.359 15.181 -27.255 1.00 0.00 WAT +ATOM 16808 OH2 TIP3 3500 12.673 16.028 -41.623 1.00 0.00 WAT +ATOM 16809 H1 TIP3 3500 12.629 15.228 -42.184 1.00 0.00 WAT +ATOM 16810 H2 TIP3 3500 13.573 16.343 -41.782 1.00 0.00 WAT +ATOM 16811 OH2 TIP3 3501 -5.227 15.735 -38.414 1.00 0.00 WAT +ATOM 16812 H1 TIP3 3501 -6.140 15.643 -38.735 1.00 0.00 WAT +ATOM 16813 H2 TIP3 3501 -4.785 16.189 -39.157 1.00 0.00 WAT +ATOM 16814 OH2 TIP3 3502 9.431 30.816 -36.403 1.00 0.00 WAT +ATOM 16815 H1 TIP3 3502 9.934 30.621 -37.209 1.00 0.00 WAT +ATOM 16816 H2 TIP3 3502 10.079 31.290 -35.868 1.00 0.00 WAT +ATOM 16817 OH2 TIP3 3503 -5.134 14.536 -30.326 1.00 0.00 WAT +ATOM 16818 H1 TIP3 3503 -5.844 14.220 -29.753 1.00 0.00 WAT +ATOM 16819 H2 TIP3 3503 -5.637 15.019 -31.007 1.00 0.00 WAT +ATOM 16820 OH2 TIP3 3504 -3.157 27.566 -25.659 1.00 0.00 WAT +ATOM 16821 H1 TIP3 3504 -3.878 27.590 -26.305 1.00 0.00 WAT +ATOM 16822 H2 TIP3 3504 -3.630 27.592 -24.818 1.00 0.00 WAT +ATOM 16823 OH2 TIP3 3505 -0.315 28.568 -30.005 1.00 0.00 WAT +ATOM 16824 H1 TIP3 3505 -0.633 29.421 -30.349 1.00 0.00 WAT +ATOM 16825 H2 TIP3 3505 0.643 28.672 -30.178 1.00 0.00 WAT +ATOM 16826 OH2 TIP3 3506 4.187 29.894 -26.975 1.00 0.00 WAT +ATOM 16827 H1 TIP3 3506 4.355 29.715 -26.036 1.00 0.00 WAT +ATOM 16828 H2 TIP3 3506 5.016 30.344 -27.241 1.00 0.00 WAT +ATOM 16829 OH2 TIP3 3507 6.479 31.338 -27.723 1.00 0.00 WAT +ATOM 16830 H1 TIP3 3507 7.176 30.707 -27.965 1.00 0.00 WAT +ATOM 16831 H2 TIP3 3507 6.795 31.655 -26.857 1.00 0.00 WAT +ATOM 16832 OH2 TIP3 3508 10.929 13.658 -28.106 1.00 0.00 WAT +ATOM 16833 H1 TIP3 3508 10.481 14.159 -28.806 1.00 0.00 WAT +ATOM 16834 H2 TIP3 3508 11.393 12.966 -28.620 1.00 0.00 WAT +ATOM 16835 OH2 TIP3 3509 -2.950 31.528 -29.659 1.00 0.00 WAT +ATOM 16836 H1 TIP3 3509 -3.534 32.167 -30.107 1.00 0.00 WAT +ATOM 16837 H2 TIP3 3509 -3.285 31.591 -28.756 1.00 0.00 WAT +ATOM 16838 OH2 TIP3 3510 -0.451 31.301 -31.121 1.00 0.00 WAT +ATOM 16839 H1 TIP3 3510 -1.297 31.510 -30.678 1.00 0.00 WAT +ATOM 16840 H2 TIP3 3510 -0.396 32.006 -31.794 1.00 0.00 WAT +ATOM 16841 OH2 TIP3 3511 4.292 31.311 -31.551 1.00 0.00 WAT +ATOM 16842 H1 TIP3 3511 3.938 31.760 -32.340 1.00 0.00 WAT +ATOM 16843 H2 TIP3 3511 4.391 32.062 -30.937 1.00 0.00 WAT +ATOM 16844 OH2 TIP3 3512 6.627 30.029 -30.625 1.00 0.00 WAT +ATOM 16845 H1 TIP3 3512 5.785 30.390 -30.964 1.00 0.00 WAT +ATOM 16846 H2 TIP3 3512 7.197 30.811 -30.665 1.00 0.00 WAT +ATOM 16847 OH2 TIP3 3513 9.168 31.757 -30.448 1.00 0.00 WAT +ATOM 16848 H1 TIP3 3513 9.119 32.710 -30.659 1.00 0.00 WAT +ATOM 16849 H2 TIP3 3513 9.446 31.402 -31.309 1.00 0.00 WAT +ATOM 16850 OH2 TIP3 3514 -3.360 30.333 -32.727 1.00 0.00 WAT +ATOM 16851 H1 TIP3 3514 -3.387 29.855 -31.869 1.00 0.00 WAT +ATOM 16852 H2 TIP3 3514 -2.585 29.908 -33.143 1.00 0.00 WAT +ATOM 16853 OH2 TIP3 3515 -1.337 29.080 -34.294 1.00 0.00 WAT +ATOM 16854 H1 TIP3 3515 -1.482 28.160 -33.992 1.00 0.00 WAT +ATOM 16855 H2 TIP3 3515 -0.430 29.254 -33.972 1.00 0.00 WAT +ATOM 16856 OH2 TIP3 3516 1.396 29.543 -33.394 1.00 0.00 WAT +ATOM 16857 H1 TIP3 3516 1.606 28.616 -33.599 1.00 0.00 WAT +ATOM 16858 H2 TIP3 3516 1.480 29.537 -32.428 1.00 0.00 WAT +ATOM 16859 OH2 TIP3 3517 4.721 15.457 -34.082 1.00 0.00 WAT +ATOM 16860 H1 TIP3 3517 4.047 14.760 -33.960 1.00 0.00 WAT +ATOM 16861 H2 TIP3 3517 5.348 15.019 -34.680 1.00 0.00 WAT +ATOM 16862 OH2 TIP3 3518 9.690 13.493 -33.617 1.00 0.00 WAT +ATOM 16863 H1 TIP3 3518 10.457 13.902 -34.053 1.00 0.00 WAT +ATOM 16864 H2 TIP3 3518 8.951 13.751 -34.194 1.00 0.00 WAT +ATOM 16865 OH2 TIP3 3519 11.762 14.575 -35.756 1.00 0.00 WAT +ATOM 16866 H1 TIP3 3519 12.473 14.132 -36.256 1.00 0.00 WAT +ATOM 16867 H2 TIP3 3519 12.104 15.489 -35.689 1.00 0.00 WAT +ATOM 16868 OH2 TIP3 3520 -2.901 14.162 -36.515 1.00 0.00 WAT +ATOM 16869 H1 TIP3 3520 -3.757 14.047 -36.973 1.00 0.00 WAT +ATOM 16870 H2 TIP3 3520 -2.478 13.302 -36.695 1.00 0.00 WAT +ATOM 16871 OH2 TIP3 3521 -4.025 13.667 -40.787 1.00 0.00 WAT +ATOM 16872 H1 TIP3 3521 -3.485 14.325 -41.288 1.00 0.00 WAT +ATOM 16873 H2 TIP3 3521 -4.507 14.258 -40.192 1.00 0.00 WAT +ATOM 16874 OH2 TIP3 3522 1.572 13.990 -36.655 1.00 0.00 WAT +ATOM 16875 H1 TIP3 3522 2.487 14.282 -36.792 1.00 0.00 WAT +ATOM 16876 H2 TIP3 3522 1.551 13.877 -35.697 1.00 0.00 WAT +ATOM 16877 OH2 TIP3 3523 7.177 14.028 -35.224 1.00 0.00 WAT +ATOM 16878 H1 TIP3 3523 7.415 13.893 -36.152 1.00 0.00 WAT +ATOM 16879 H2 TIP3 3523 6.776 13.168 -34.993 1.00 0.00 WAT +ATOM 16880 OH2 TIP3 3524 8.230 14.096 -39.154 1.00 0.00 WAT +ATOM 16881 H1 TIP3 3524 7.432 14.563 -39.457 1.00 0.00 WAT +ATOM 16882 H2 TIP3 3524 7.927 13.172 -39.217 1.00 0.00 WAT +ATOM 16883 OH2 TIP3 3525 -4.040 29.604 -39.698 1.00 0.00 WAT +ATOM 16884 H1 TIP3 3525 -4.787 29.632 -40.320 1.00 0.00 WAT +ATOM 16885 H2 TIP3 3525 -4.022 30.518 -39.393 1.00 0.00 WAT +ATOM 16886 OH2 TIP3 3526 -2.420 15.418 -42.176 1.00 0.00 WAT +ATOM 16887 H1 TIP3 3526 -1.944 14.923 -42.855 1.00 0.00 WAT +ATOM 16888 H2 TIP3 3526 -1.692 15.871 -41.717 1.00 0.00 WAT +ATOM 16889 OH2 TIP3 3527 2.689 15.625 -39.587 1.00 0.00 WAT +ATOM 16890 H1 TIP3 3527 3.075 15.078 -38.887 1.00 0.00 WAT +ATOM 16891 H2 TIP3 3527 2.937 16.506 -39.268 1.00 0.00 WAT +ATOM 16892 OH2 TIP3 3528 4.738 31.231 -41.444 1.00 0.00 WAT +ATOM 16893 H1 TIP3 3528 5.709 31.376 -41.493 1.00 0.00 WAT +ATOM 16894 H2 TIP3 3528 4.630 30.636 -42.209 1.00 0.00 WAT +ATOM 16895 OH2 TIP3 3529 11.379 30.439 -38.848 1.00 0.00 WAT +ATOM 16896 H1 TIP3 3529 11.057 29.615 -39.268 1.00 0.00 WAT +ATOM 16897 H2 TIP3 3529 11.134 31.112 -39.516 1.00 0.00 WAT +ATOM 16898 OH2 TIP3 3530 -3.115 14.397 -26.993 1.00 0.00 WAT +ATOM 16899 H1 TIP3 3530 -3.504 13.573 -26.649 1.00 0.00 WAT +ATOM 16900 H2 TIP3 3530 -2.182 14.265 -26.753 1.00 0.00 WAT +ATOM 16901 OH2 TIP3 3531 -0.727 13.757 -25.289 1.00 0.00 WAT +ATOM 16902 H1 TIP3 3531 0.097 13.403 -25.684 1.00 0.00 WAT +ATOM 16903 H2 TIP3 3531 -1.068 12.963 -24.847 1.00 0.00 WAT +ATOM 16904 OH2 TIP3 3532 -2.112 30.617 -42.329 1.00 0.00 WAT +ATOM 16905 H1 TIP3 3532 -2.436 30.968 -41.490 1.00 0.00 WAT +ATOM 16906 H2 TIP3 3532 -1.328 30.121 -42.072 1.00 0.00 WAT +ATOM 16907 OH2 TIP3 3533 10.772 29.236 -26.409 1.00 0.00 WAT +ATOM 16908 H1 TIP3 3533 10.039 29.023 -27.014 1.00 0.00 WAT +ATOM 16909 H2 TIP3 3533 10.582 30.171 -26.213 1.00 0.00 WAT +ATOM 16910 OH2 TIP3 3534 24.987 22.899 -36.276 1.00 0.00 WAT +ATOM 16911 H1 TIP3 3534 24.978 23.863 -36.158 1.00 0.00 WAT +ATOM 16912 H2 TIP3 3534 24.205 22.765 -36.826 1.00 0.00 WAT +ATOM 16913 OH2 TIP3 3535 23.805 22.346 -33.205 1.00 0.00 WAT +ATOM 16914 H1 TIP3 3535 23.809 21.795 -32.406 1.00 0.00 WAT +ATOM 16915 H2 TIP3 3535 23.546 21.703 -33.882 1.00 0.00 WAT +ATOM 16916 OH2 TIP3 3536 16.305 21.928 -31.536 1.00 0.00 WAT +ATOM 16917 H1 TIP3 3536 16.275 21.181 -30.910 1.00 0.00 WAT +ATOM 16918 H2 TIP3 3536 16.992 22.478 -31.133 1.00 0.00 WAT +ATOM 16919 OH2 TIP3 3537 27.489 25.079 -34.883 1.00 0.00 WAT +ATOM 16920 H1 TIP3 3537 27.124 24.373 -34.334 1.00 0.00 WAT +ATOM 16921 H2 TIP3 3537 27.794 25.702 -34.209 1.00 0.00 WAT +ATOM 16922 OH2 TIP3 3538 16.953 26.578 -33.043 1.00 0.00 WAT +ATOM 16923 H1 TIP3 3538 16.710 25.658 -33.283 1.00 0.00 WAT +ATOM 16924 H2 TIP3 3538 17.880 26.444 -32.793 1.00 0.00 WAT +ATOM 16925 OH2 TIP3 3539 13.952 19.984 -37.622 1.00 0.00 WAT +ATOM 16926 H1 TIP3 3539 13.521 20.848 -37.529 1.00 0.00 WAT +ATOM 16927 H2 TIP3 3539 13.266 19.474 -38.075 1.00 0.00 WAT +ATOM 16928 OH2 TIP3 3540 14.752 22.431 -35.775 1.00 0.00 WAT +ATOM 16929 H1 TIP3 3540 14.884 21.591 -35.292 1.00 0.00 WAT +ATOM 16930 H2 TIP3 3540 15.599 22.529 -36.227 1.00 0.00 WAT +ATOM 16931 OH2 TIP3 3541 24.554 30.443 -34.319 1.00 0.00 WAT +ATOM 16932 H1 TIP3 3541 25.134 29.728 -34.642 1.00 0.00 WAT +ATOM 16933 H2 TIP3 3541 24.285 30.106 -33.455 1.00 0.00 WAT +ATOM 16934 OH2 TIP3 3542 22.306 24.852 -32.645 1.00 0.00 WAT +ATOM 16935 H1 TIP3 3542 22.640 24.121 -33.197 1.00 0.00 WAT +ATOM 16936 H2 TIP3 3542 23.112 25.014 -32.117 1.00 0.00 WAT +ATOM 16937 OH2 TIP3 3543 30.976 16.371 -31.995 1.00 0.00 WAT +ATOM 16938 H1 TIP3 3543 31.221 16.986 -31.284 1.00 0.00 WAT +ATOM 16939 H2 TIP3 3543 31.583 16.660 -32.701 1.00 0.00 WAT +ATOM 16940 OH2 TIP3 3544 25.611 19.185 -32.125 1.00 0.00 WAT +ATOM 16941 H1 TIP3 3544 25.741 18.224 -32.067 1.00 0.00 WAT +ATOM 16942 H2 TIP3 3544 25.516 19.306 -33.083 1.00 0.00 WAT +ATOM 16943 OH2 TIP3 3545 18.569 17.195 -35.045 1.00 0.00 WAT +ATOM 16944 H1 TIP3 3545 18.709 18.049 -35.497 1.00 0.00 WAT +ATOM 16945 H2 TIP3 3545 18.225 16.666 -35.790 1.00 0.00 WAT +ATOM 16946 OH2 TIP3 3546 26.407 17.356 -36.731 1.00 0.00 WAT +ATOM 16947 H1 TIP3 3546 26.992 16.920 -36.076 1.00 0.00 WAT +ATOM 16948 H2 TIP3 3546 27.059 17.792 -37.299 1.00 0.00 WAT +ATOM 16949 OH2 TIP3 3547 15.272 19.938 -34.540 1.00 0.00 WAT +ATOM 16950 H1 TIP3 3547 15.891 19.456 -33.967 1.00 0.00 WAT +ATOM 16951 H2 TIP3 3547 15.344 19.437 -35.371 1.00 0.00 WAT +ATOM 16952 OH2 TIP3 3548 20.652 21.324 -35.094 1.00 0.00 WAT +ATOM 16953 H1 TIP3 3548 21.355 20.774 -34.695 1.00 0.00 WAT +ATOM 16954 H2 TIP3 3548 20.138 20.650 -35.577 1.00 0.00 WAT +ATOM 16955 OH2 TIP3 3549 31.709 17.754 -29.507 1.00 0.00 WAT +ATOM 16956 H1 TIP3 3549 31.111 18.464 -29.801 1.00 0.00 WAT +ATOM 16957 H2 TIP3 3549 31.476 17.702 -28.570 1.00 0.00 WAT +ATOM 16958 OH2 TIP3 3550 17.373 15.982 -30.889 1.00 0.00 WAT +ATOM 16959 H1 TIP3 3550 16.968 16.494 -31.606 1.00 0.00 WAT +ATOM 16960 H2 TIP3 3550 16.721 16.127 -30.173 1.00 0.00 WAT +ATOM 16961 OH2 TIP3 3551 24.855 25.739 -37.493 1.00 0.00 WAT +ATOM 16962 H1 TIP3 3551 24.551 25.539 -38.381 1.00 0.00 WAT +ATOM 16963 H2 TIP3 3551 24.426 26.593 -37.306 1.00 0.00 WAT +ATOM 16964 OH2 TIP3 3552 20.309 23.870 -30.763 1.00 0.00 WAT +ATOM 16965 H1 TIP3 3552 19.571 24.463 -30.504 1.00 0.00 WAT +ATOM 16966 H2 TIP3 3552 20.928 24.487 -31.192 1.00 0.00 WAT +ATOM 16967 OH2 TIP3 3553 28.262 16.610 -34.702 1.00 0.00 WAT +ATOM 16968 H1 TIP3 3553 27.858 16.012 -34.060 1.00 0.00 WAT +ATOM 16969 H2 TIP3 3553 28.771 17.207 -34.127 1.00 0.00 WAT +ATOM 16970 OH2 TIP3 3554 16.974 18.033 -32.943 1.00 0.00 WAT +ATOM 16971 H1 TIP3 3554 17.619 18.606 -32.478 1.00 0.00 WAT +ATOM 16972 H2 TIP3 3554 17.549 17.664 -33.650 1.00 0.00 WAT +ATOM 16973 OH2 TIP3 3555 18.292 25.739 -30.050 1.00 0.00 WAT +ATOM 16974 H1 TIP3 3555 18.261 26.671 -30.335 1.00 0.00 WAT +ATOM 16975 H2 TIP3 3555 17.428 25.673 -29.598 1.00 0.00 WAT +ATOM 16976 OH2 TIP3 3556 14.629 25.433 -39.185 1.00 0.00 WAT +ATOM 16977 H1 TIP3 3556 14.412 25.865 -40.035 1.00 0.00 WAT +ATOM 16978 H2 TIP3 3556 14.770 26.184 -38.573 1.00 0.00 WAT +ATOM 16979 OH2 TIP3 3557 28.057 26.896 -32.387 1.00 0.00 WAT +ATOM 16980 H1 TIP3 3557 27.090 27.030 -32.368 1.00 0.00 WAT +ATOM 16981 H2 TIP3 3557 28.352 27.748 -32.752 1.00 0.00 WAT +ATOM 16982 OH2 TIP3 3558 28.387 15.788 -30.842 1.00 0.00 WAT +ATOM 16983 H1 TIP3 3558 27.613 16.153 -31.311 1.00 0.00 WAT +ATOM 16984 H2 TIP3 3558 29.108 15.949 -31.480 1.00 0.00 WAT +ATOM 16985 OH2 TIP3 3559 21.521 13.478 -33.799 1.00 0.00 WAT +ATOM 16986 H1 TIP3 3559 21.295 12.530 -33.854 1.00 0.00 WAT +ATOM 16987 H2 TIP3 3559 20.695 13.856 -33.428 1.00 0.00 WAT +ATOM 16988 OH2 TIP3 3560 26.347 28.834 -35.837 1.00 0.00 WAT +ATOM 16989 H1 TIP3 3560 26.834 28.043 -36.144 1.00 0.00 WAT +ATOM 16990 H2 TIP3 3560 27.044 29.516 -35.901 1.00 0.00 WAT +ATOM 16991 OH2 TIP3 3561 27.798 26.708 -37.196 1.00 0.00 WAT +ATOM 16992 H1 TIP3 3561 27.315 26.228 -37.882 1.00 0.00 WAT +ATOM 16993 H2 TIP3 3561 27.764 26.067 -36.459 1.00 0.00 WAT +ATOM 16994 OH2 TIP3 3562 29.357 25.516 -28.703 1.00 0.00 WAT +ATOM 16995 H1 TIP3 3562 29.252 24.879 -29.433 1.00 0.00 WAT +ATOM 16996 H2 TIP3 3562 29.471 26.357 -29.188 1.00 0.00 WAT +ATOM 16997 OH2 TIP3 3563 23.610 22.373 -39.066 1.00 0.00 WAT +ATOM 16998 H1 TIP3 3563 22.998 23.069 -39.370 1.00 0.00 WAT +ATOM 16999 H2 TIP3 3563 24.341 22.439 -39.707 1.00 0.00 WAT +ATOM 17000 OH2 TIP3 3564 31.112 21.692 -30.762 1.00 0.00 WAT +ATOM 17001 H1 TIP3 3564 30.391 22.348 -30.687 1.00 0.00 WAT +ATOM 17002 H2 TIP3 3564 31.594 22.038 -31.540 1.00 0.00 WAT +ATOM 17003 OH2 TIP3 3565 27.079 22.358 -38.013 1.00 0.00 WAT +ATOM 17004 H1 TIP3 3565 26.418 22.584 -37.320 1.00 0.00 WAT +ATOM 17005 H2 TIP3 3565 27.714 21.835 -37.490 1.00 0.00 WAT +ATOM 17006 OH2 TIP3 3566 26.961 20.963 -29.086 1.00 0.00 WAT +ATOM 17007 H1 TIP3 3566 27.023 21.795 -28.588 1.00 0.00 WAT +ATOM 17008 H2 TIP3 3566 26.318 21.244 -29.762 1.00 0.00 WAT +ATOM 17009 OH2 TIP3 3567 18.719 23.177 -36.174 1.00 0.00 WAT +ATOM 17010 H1 TIP3 3567 18.453 22.730 -36.998 1.00 0.00 WAT +ATOM 17011 H2 TIP3 3567 19.370 22.551 -35.808 1.00 0.00 WAT +ATOM 17012 OH2 TIP3 3568 20.096 26.610 -33.427 1.00 0.00 WAT +ATOM 17013 H1 TIP3 3568 19.983 26.191 -34.290 1.00 0.00 WAT +ATOM 17014 H2 TIP3 3568 20.882 26.143 -33.084 1.00 0.00 WAT +ATOM 17015 OH2 TIP3 3569 19.315 22.009 -32.676 1.00 0.00 WAT +ATOM 17016 H1 TIP3 3569 19.904 22.043 -33.453 1.00 0.00 WAT +ATOM 17017 H2 TIP3 3569 19.705 22.674 -32.079 1.00 0.00 WAT +ATOM 17018 OH2 TIP3 3570 25.252 27.520 -32.093 1.00 0.00 WAT +ATOM 17019 H1 TIP3 3570 25.276 28.192 -31.390 1.00 0.00 WAT +ATOM 17020 H2 TIP3 3570 25.033 26.701 -31.615 1.00 0.00 WAT +ATOM 17021 OH2 TIP3 3571 20.150 26.319 -27.835 1.00 0.00 WAT +ATOM 17022 H1 TIP3 3571 19.643 26.986 -27.338 1.00 0.00 WAT +ATOM 17023 H2 TIP3 3571 19.504 26.060 -28.519 1.00 0.00 WAT +ATOM 17024 OH2 TIP3 3572 26.008 21.966 -40.665 1.00 0.00 WAT +ATOM 17025 H1 TIP3 3572 26.466 22.099 -39.814 1.00 0.00 WAT +ATOM 17026 H2 TIP3 3572 26.676 22.283 -41.300 1.00 0.00 WAT +ATOM 17027 OH2 TIP3 3573 17.079 22.732 -28.725 1.00 0.00 WAT +ATOM 17028 H1 TIP3 3573 17.131 23.296 -27.932 1.00 0.00 WAT +ATOM 17029 H2 TIP3 3573 16.120 22.578 -28.786 1.00 0.00 WAT +ATOM 17030 OH2 TIP3 3574 23.515 28.468 -36.958 1.00 0.00 WAT +ATOM 17031 H1 TIP3 3574 24.044 28.721 -36.189 1.00 0.00 WAT +ATOM 17032 H2 TIP3 3574 23.061 29.293 -37.186 1.00 0.00 WAT +ATOM 17033 OH2 TIP3 3575 18.250 28.510 -27.015 1.00 0.00 WAT +ATOM 17034 H1 TIP3 3575 18.132 28.537 -27.980 1.00 0.00 WAT +ATOM 17035 H2 TIP3 3575 17.371 28.234 -26.690 1.00 0.00 WAT +ATOM 17036 OH2 TIP3 3576 29.651 13.531 -40.732 1.00 0.00 WAT +ATOM 17037 H1 TIP3 3576 28.685 13.586 -40.607 1.00 0.00 WAT +ATOM 17038 H2 TIP3 3576 29.860 14.433 -41.013 1.00 0.00 WAT +ATOM 17039 OH2 TIP3 3577 17.779 21.924 -38.752 1.00 0.00 WAT +ATOM 17040 H1 TIP3 3577 17.435 22.711 -39.213 1.00 0.00 WAT +ATOM 17041 H2 TIP3 3577 17.050 21.297 -38.855 1.00 0.00 WAT +ATOM 17042 OH2 TIP3 3578 30.702 27.872 -42.538 1.00 0.00 WAT +ATOM 17043 H1 TIP3 3578 30.988 28.667 -42.058 1.00 0.00 WAT +ATOM 17044 H2 TIP3 3578 31.439 27.252 -42.398 1.00 0.00 WAT +ATOM 17045 OH2 TIP3 3579 13.702 24.607 -29.896 1.00 0.00 WAT +ATOM 17046 H1 TIP3 3579 13.257 24.596 -30.767 1.00 0.00 WAT +ATOM 17047 H2 TIP3 3579 13.842 23.657 -29.726 1.00 0.00 WAT +ATOM 17048 OH2 TIP3 3580 13.761 27.538 -32.971 1.00 0.00 WAT +ATOM 17049 H1 TIP3 3580 14.684 27.249 -32.910 1.00 0.00 WAT +ATOM 17050 H2 TIP3 3580 13.700 28.142 -32.218 1.00 0.00 WAT +ATOM 17051 OH2 TIP3 3581 32.148 28.153 -27.179 1.00 0.00 WAT +ATOM 17052 H1 TIP3 3581 32.041 27.208 -27.387 1.00 0.00 WAT +ATOM 17053 H2 TIP3 3581 31.233 28.388 -26.910 1.00 0.00 WAT +ATOM 17054 OH2 TIP3 3582 22.789 27.375 -28.399 1.00 0.00 WAT +ATOM 17055 H1 TIP3 3582 22.869 28.196 -27.871 1.00 0.00 WAT +ATOM 17056 H2 TIP3 3582 21.889 27.076 -28.162 1.00 0.00 WAT +ATOM 17057 OH2 TIP3 3583 23.095 31.169 -38.476 1.00 0.00 WAT +ATOM 17058 H1 TIP3 3583 23.105 31.298 -39.440 1.00 0.00 WAT +ATOM 17059 H2 TIP3 3583 23.135 32.078 -38.137 1.00 0.00 WAT +ATOM 17060 OH2 TIP3 3584 16.884 30.299 -36.814 1.00 0.00 WAT +ATOM 17061 H1 TIP3 3584 17.051 29.873 -35.947 1.00 0.00 WAT +ATOM 17062 H2 TIP3 3584 16.013 29.936 -37.026 1.00 0.00 WAT +ATOM 17063 OH2 TIP3 3585 26.326 30.775 -41.399 1.00 0.00 WAT +ATOM 17064 H1 TIP3 3585 26.791 30.201 -42.042 1.00 0.00 WAT +ATOM 17065 H2 TIP3 3585 26.390 30.250 -40.585 1.00 0.00 WAT +ATOM 17066 OH2 TIP3 3586 25.816 30.059 -38.626 1.00 0.00 WAT +ATOM 17067 H1 TIP3 3586 24.889 30.225 -38.387 1.00 0.00 WAT +ATOM 17068 H2 TIP3 3586 26.062 29.395 -37.962 1.00 0.00 WAT +ATOM 17069 OH2 TIP3 3587 28.915 19.504 -26.774 1.00 0.00 WAT +ATOM 17070 H1 TIP3 3587 28.423 19.910 -27.502 1.00 0.00 WAT +ATOM 17071 H2 TIP3 3587 28.980 18.578 -27.079 1.00 0.00 WAT +ATOM 17072 OH2 TIP3 3588 15.896 26.158 -28.654 1.00 0.00 WAT +ATOM 17073 H1 TIP3 3588 16.168 25.691 -27.837 1.00 0.00 WAT +ATOM 17074 H2 TIP3 3588 15.161 25.611 -28.983 1.00 0.00 WAT +ATOM 17075 OH2 TIP3 3589 19.095 14.629 -32.885 1.00 0.00 WAT +ATOM 17076 H1 TIP3 3589 18.278 14.565 -33.410 1.00 0.00 WAT +ATOM 17077 H2 TIP3 3589 18.857 15.357 -32.291 1.00 0.00 WAT +ATOM 17078 OH2 TIP3 3590 23.461 14.218 -29.231 1.00 0.00 WAT +ATOM 17079 H1 TIP3 3590 23.989 13.674 -28.613 1.00 0.00 WAT +ATOM 17080 H2 TIP3 3590 22.559 13.863 -29.118 1.00 0.00 WAT +ATOM 17081 OH2 TIP3 3591 26.633 18.007 -28.709 1.00 0.00 WAT +ATOM 17082 H1 TIP3 3591 26.004 17.845 -27.982 1.00 0.00 WAT +ATOM 17083 H2 TIP3 3591 26.546 18.962 -28.875 1.00 0.00 WAT +ATOM 17084 OH2 TIP3 3592 28.338 22.700 -42.509 1.00 0.00 WAT +ATOM 17085 H1 TIP3 3592 28.032 22.519 -43.407 1.00 0.00 WAT +ATOM 17086 H2 TIP3 3592 28.753 23.563 -42.637 1.00 0.00 WAT +ATOM 17087 OH2 TIP3 3593 23.265 16.596 -42.194 1.00 0.00 WAT +ATOM 17088 H1 TIP3 3593 22.780 16.528 -41.358 1.00 0.00 WAT +ATOM 17089 H2 TIP3 3593 22.839 15.892 -42.701 1.00 0.00 WAT +ATOM 17090 OH2 TIP3 3594 18.946 19.414 -31.487 1.00 0.00 WAT +ATOM 17091 H1 TIP3 3594 18.386 19.532 -30.703 1.00 0.00 WAT +ATOM 17092 H2 TIP3 3594 19.016 20.329 -31.835 1.00 0.00 WAT +ATOM 17093 OH2 TIP3 3595 18.867 19.516 -36.608 1.00 0.00 WAT +ATOM 17094 H1 TIP3 3595 17.914 19.361 -36.756 1.00 0.00 WAT +ATOM 17095 H2 TIP3 3595 19.222 19.277 -37.485 1.00 0.00 WAT +ATOM 17096 OH2 TIP3 3596 24.567 20.027 -37.850 1.00 0.00 WAT +ATOM 17097 H1 TIP3 3596 24.163 20.851 -38.194 1.00 0.00 WAT +ATOM 17098 H2 TIP3 3596 25.218 19.828 -38.547 1.00 0.00 WAT +ATOM 17099 OH2 TIP3 3597 23.686 20.269 -26.447 1.00 0.00 WAT +ATOM 17100 H1 TIP3 3597 23.177 19.502 -26.111 1.00 0.00 WAT +ATOM 17101 H2 TIP3 3597 24.566 20.111 -26.064 1.00 0.00 WAT +ATOM 17102 OH2 TIP3 3598 25.356 19.442 -35.049 1.00 0.00 WAT +ATOM 17103 H1 TIP3 3598 25.084 20.015 -35.793 1.00 0.00 WAT +ATOM 17104 H2 TIP3 3598 25.573 18.630 -35.553 1.00 0.00 WAT +ATOM 17105 OH2 TIP3 3599 16.283 19.583 -29.641 1.00 0.00 WAT +ATOM 17106 H1 TIP3 3599 16.576 19.888 -28.773 1.00 0.00 WAT +ATOM 17107 H2 TIP3 3599 15.952 18.691 -29.433 1.00 0.00 WAT +ATOM 17108 OH2 TIP3 3600 20.079 17.352 -42.982 1.00 0.00 WAT +ATOM 17109 H1 TIP3 3600 19.752 16.752 -42.285 1.00 0.00 WAT +ATOM 17110 H2 TIP3 3600 19.258 17.517 -43.484 1.00 0.00 WAT +ATOM 17111 OH2 TIP3 3601 13.148 17.071 -36.000 1.00 0.00 WAT +ATOM 17112 H1 TIP3 3601 13.772 17.001 -35.255 1.00 0.00 WAT +ATOM 17113 H2 TIP3 3601 13.621 16.661 -36.743 1.00 0.00 WAT +ATOM 17114 OH2 TIP3 3602 14.799 17.529 -40.320 1.00 0.00 WAT +ATOM 17115 H1 TIP3 3602 15.284 17.995 -41.027 1.00 0.00 WAT +ATOM 17116 H2 TIP3 3602 14.036 18.116 -40.183 1.00 0.00 WAT +ATOM 17117 OH2 TIP3 3603 24.460 21.130 -30.587 1.00 0.00 WAT +ATOM 17118 H1 TIP3 3603 24.896 20.406 -31.093 1.00 0.00 WAT +ATOM 17119 H2 TIP3 3603 24.119 20.648 -29.821 1.00 0.00 WAT +ATOM 17120 OH2 TIP3 3604 21.667 17.092 -35.575 1.00 0.00 WAT +ATOM 17121 H1 TIP3 3604 20.724 17.020 -35.349 1.00 0.00 WAT +ATOM 17122 H2 TIP3 3604 22.087 16.884 -34.723 1.00 0.00 WAT +ATOM 17123 OH2 TIP3 3605 16.257 18.319 -36.923 1.00 0.00 WAT +ATOM 17124 H1 TIP3 3605 15.414 18.560 -37.348 1.00 0.00 WAT +ATOM 17125 H2 TIP3 3605 16.517 17.509 -37.400 1.00 0.00 WAT +ATOM 17126 OH2 TIP3 3606 19.820 18.667 -39.265 1.00 0.00 WAT +ATOM 17127 H1 TIP3 3606 20.782 18.721 -39.118 1.00 0.00 WAT +ATOM 17128 H2 TIP3 3606 19.627 19.386 -39.883 1.00 0.00 WAT +ATOM 17129 OH2 TIP3 3607 26.054 16.222 -32.550 1.00 0.00 WAT +ATOM 17130 H1 TIP3 3607 25.408 16.226 -31.811 1.00 0.00 WAT +ATOM 17131 H2 TIP3 3607 25.483 15.884 -33.263 1.00 0.00 WAT +ATOM 17132 OH2 TIP3 3608 18.598 19.953 -41.803 1.00 0.00 WAT +ATOM 17133 H1 TIP3 3608 17.804 19.449 -42.059 1.00 0.00 WAT +ATOM 17134 H2 TIP3 3608 19.272 19.490 -42.308 1.00 0.00 WAT +ATOM 17135 OH2 TIP3 3609 29.053 32.008 -25.886 1.00 0.00 WAT +ATOM 17136 H1 TIP3 3609 29.282 32.451 -26.721 1.00 0.00 WAT +ATOM 17137 H2 TIP3 3609 29.768 32.305 -25.299 1.00 0.00 WAT +ATOM 17138 OH2 TIP3 3610 16.957 24.630 -26.463 1.00 0.00 WAT +ATOM 17139 H1 TIP3 3610 17.632 24.705 -25.755 1.00 0.00 WAT +ATOM 17140 H2 TIP3 3610 16.151 24.592 -25.912 1.00 0.00 WAT +ATOM 17141 OH2 TIP3 3611 22.681 19.631 -33.746 1.00 0.00 WAT +ATOM 17142 H1 TIP3 3611 23.414 19.196 -34.207 1.00 0.00 WAT +ATOM 17143 H2 TIP3 3611 22.516 19.016 -33.003 1.00 0.00 WAT +ATOM 17144 OH2 TIP3 3612 18.009 16.041 -37.616 1.00 0.00 WAT +ATOM 17145 H1 TIP3 3612 17.433 15.270 -37.480 1.00 0.00 WAT +ATOM 17146 H2 TIP3 3612 18.824 15.632 -37.941 1.00 0.00 WAT +ATOM 17147 OH2 TIP3 3613 21.655 18.089 -31.508 1.00 0.00 WAT +ATOM 17148 H1 TIP3 3613 20.875 18.668 -31.486 1.00 0.00 WAT +ATOM 17149 H2 TIP3 3613 22.138 18.336 -30.694 1.00 0.00 WAT +ATOM 17150 OH2 TIP3 3614 21.803 24.464 -39.604 1.00 0.00 WAT +ATOM 17151 H1 TIP3 3614 21.063 23.914 -39.926 1.00 0.00 WAT +ATOM 17152 H2 TIP3 3614 21.605 24.534 -38.638 1.00 0.00 WAT +ATOM 17153 OH2 TIP3 3615 29.018 23.632 -30.869 1.00 0.00 WAT +ATOM 17154 H1 TIP3 3615 29.517 24.180 -31.514 1.00 0.00 WAT +ATOM 17155 H2 TIP3 3615 28.163 23.527 -31.331 1.00 0.00 WAT +ATOM 17156 OH2 TIP3 3616 26.014 17.213 -41.784 1.00 0.00 WAT +ATOM 17157 H1 TIP3 3616 25.046 17.191 -41.907 1.00 0.00 WAT +ATOM 17158 H2 TIP3 3616 26.174 18.020 -41.263 1.00 0.00 WAT +ATOM 17159 OH2 TIP3 3617 23.430 24.482 -28.280 1.00 0.00 WAT +ATOM 17160 H1 TIP3 3617 23.125 24.168 -27.417 1.00 0.00 WAT +ATOM 17161 H2 TIP3 3617 23.131 25.404 -28.284 1.00 0.00 WAT +ATOM 17162 OH2 TIP3 3618 26.551 19.095 -39.832 1.00 0.00 WAT +ATOM 17163 H1 TIP3 3618 27.437 18.930 -39.453 1.00 0.00 WAT +ATOM 17164 H2 TIP3 3618 26.683 19.908 -40.346 1.00 0.00 WAT +ATOM 17165 OH2 TIP3 3619 16.933 23.863 -33.778 1.00 0.00 WAT +ATOM 17166 H1 TIP3 3619 17.494 23.747 -34.563 1.00 0.00 WAT +ATOM 17167 H2 TIP3 3619 17.030 23.005 -33.333 1.00 0.00 WAT +ATOM 17168 OH2 TIP3 3620 24.225 25.821 -40.699 1.00 0.00 WAT +ATOM 17169 H1 TIP3 3620 23.953 26.705 -40.378 1.00 0.00 WAT +ATOM 17170 H2 TIP3 3620 23.463 25.288 -40.407 1.00 0.00 WAT +ATOM 17171 OH2 TIP3 3621 14.205 22.133 -28.529 1.00 0.00 WAT +ATOM 17172 H1 TIP3 3621 14.345 21.707 -27.660 1.00 0.00 WAT +ATOM 17173 H2 TIP3 3621 13.561 21.544 -28.955 1.00 0.00 WAT +ATOM 17174 OH2 TIP3 3622 21.164 21.651 -26.538 1.00 0.00 WAT +ATOM 17175 H1 TIP3 3622 20.816 21.394 -27.410 1.00 0.00 WAT +ATOM 17176 H2 TIP3 3622 22.093 21.370 -26.626 1.00 0.00 WAT +ATOM 17177 OH2 TIP3 3623 25.692 27.062 -28.811 1.00 0.00 WAT +ATOM 17178 H1 TIP3 3623 24.727 27.158 -28.869 1.00 0.00 WAT +ATOM 17179 H2 TIP3 3623 25.863 27.324 -27.891 1.00 0.00 WAT +ATOM 17180 OH2 TIP3 3624 31.282 19.194 -39.991 1.00 0.00 WAT +ATOM 17181 H1 TIP3 3624 30.650 19.004 -40.714 1.00 0.00 WAT +ATOM 17182 H2 TIP3 3624 31.395 20.146 -40.166 1.00 0.00 WAT +ATOM 17183 OH2 TIP3 3625 31.682 25.156 -27.235 1.00 0.00 WAT +ATOM 17184 H1 TIP3 3625 30.747 25.380 -27.428 1.00 0.00 WAT +ATOM 17185 H2 TIP3 3625 32.016 24.985 -28.138 1.00 0.00 WAT +ATOM 17186 OH2 TIP3 3626 29.407 27.661 -39.999 1.00 0.00 WAT +ATOM 17187 H1 TIP3 3626 29.239 26.915 -39.406 1.00 0.00 WAT +ATOM 17188 H2 TIP3 3626 29.884 27.250 -40.732 1.00 0.00 WAT +ATOM 17189 OH2 TIP3 3627 26.675 23.067 -32.562 1.00 0.00 WAT +ATOM 17190 H1 TIP3 3627 25.742 22.914 -32.804 1.00 0.00 WAT +ATOM 17191 H2 TIP3 3627 27.112 22.347 -33.058 1.00 0.00 WAT +ATOM 17192 OH2 TIP3 3628 19.309 27.137 -36.565 1.00 0.00 WAT +ATOM 17193 H1 TIP3 3628 19.725 28.010 -36.643 1.00 0.00 WAT +ATOM 17194 H2 TIP3 3628 18.382 27.346 -36.735 1.00 0.00 WAT +ATOM 17195 OH2 TIP3 3629 15.400 22.069 -41.998 1.00 0.00 WAT +ATOM 17196 H1 TIP3 3629 15.916 22.736 -41.509 1.00 0.00 WAT +ATOM 17197 H2 TIP3 3629 14.487 22.252 -41.696 1.00 0.00 WAT +ATOM 17198 OH2 TIP3 3630 21.123 24.838 -36.944 1.00 0.00 WAT +ATOM 17199 H1 TIP3 3630 20.841 25.749 -36.757 1.00 0.00 WAT +ATOM 17200 H2 TIP3 3630 20.442 24.333 -36.475 1.00 0.00 WAT +ATOM 17201 OH2 TIP3 3631 21.304 29.098 -30.551 1.00 0.00 WAT +ATOM 17202 H1 TIP3 3631 21.863 29.845 -30.826 1.00 0.00 WAT +ATOM 17203 H2 TIP3 3631 21.917 28.605 -29.982 1.00 0.00 WAT +ATOM 17204 OH2 TIP3 3632 19.747 30.046 -37.346 1.00 0.00 WAT +ATOM 17205 H1 TIP3 3632 18.791 30.188 -37.237 1.00 0.00 WAT +ATOM 17206 H2 TIP3 3632 20.102 30.915 -37.078 1.00 0.00 WAT +ATOM 17207 OH2 TIP3 3633 24.707 24.845 -30.985 1.00 0.00 WAT +ATOM 17208 H1 TIP3 3633 24.428 24.575 -30.092 1.00 0.00 WAT +ATOM 17209 H2 TIP3 3633 25.449 24.242 -31.154 1.00 0.00 WAT +ATOM 17210 OH2 TIP3 3634 26.837 26.079 -41.955 1.00 0.00 WAT +ATOM 17211 H1 TIP3 3634 27.368 25.689 -41.234 1.00 0.00 WAT +ATOM 17212 H2 TIP3 3634 25.958 26.014 -41.545 1.00 0.00 WAT +ATOM 17213 OH2 TIP3 3635 27.655 29.418 -28.588 1.00 0.00 WAT +ATOM 17214 H1 TIP3 3635 26.898 28.966 -29.008 1.00 0.00 WAT +ATOM 17215 H2 TIP3 3635 27.758 30.212 -29.144 1.00 0.00 WAT +ATOM 17216 OH2 TIP3 3636 31.716 30.606 -41.593 1.00 0.00 WAT +ATOM 17217 H1 TIP3 3636 32.440 31.252 -41.423 1.00 0.00 WAT +ATOM 17218 H2 TIP3 3636 30.936 31.162 -41.383 1.00 0.00 WAT +ATOM 17219 OH2 TIP3 3637 15.499 16.781 -28.909 1.00 0.00 WAT +ATOM 17220 H1 TIP3 3637 14.589 17.036 -29.154 1.00 0.00 WAT +ATOM 17221 H2 TIP3 3637 15.349 15.917 -28.484 1.00 0.00 WAT +ATOM 17222 OH2 TIP3 3638 27.842 24.727 -39.675 1.00 0.00 WAT +ATOM 17223 H1 TIP3 3638 27.573 23.983 -39.106 1.00 0.00 WAT +ATOM 17224 H2 TIP3 3638 28.812 24.695 -39.588 1.00 0.00 WAT +ATOM 17225 OH2 TIP3 3639 15.274 28.539 -30.504 1.00 0.00 WAT +ATOM 17226 H1 TIP3 3639 15.558 27.630 -30.327 1.00 0.00 WAT +ATOM 17227 H2 TIP3 3639 15.481 28.954 -29.658 1.00 0.00 WAT +ATOM 17228 OH2 TIP3 3640 21.346 27.169 -43.294 1.00 0.00 WAT +ATOM 17229 H1 TIP3 3640 21.762 26.323 -43.531 1.00 0.00 WAT +ATOM 17230 H2 TIP3 3640 20.867 26.923 -42.478 1.00 0.00 WAT +ATOM 17231 OH2 TIP3 3641 19.949 26.701 -40.797 1.00 0.00 WAT +ATOM 17232 H1 TIP3 3641 20.432 26.204 -40.118 1.00 0.00 WAT +ATOM 17233 H2 TIP3 3641 20.107 27.626 -40.514 1.00 0.00 WAT +ATOM 17234 OH2 TIP3 3642 16.839 24.120 -40.353 1.00 0.00 WAT +ATOM 17235 H1 TIP3 3642 16.053 24.480 -39.892 1.00 0.00 WAT +ATOM 17236 H2 TIP3 3642 17.235 24.945 -40.675 1.00 0.00 WAT +ATOM 17237 OH2 TIP3 3643 24.476 16.625 -30.356 1.00 0.00 WAT +ATOM 17238 H1 TIP3 3643 25.092 16.882 -29.656 1.00 0.00 WAT +ATOM 17239 H2 TIP3 3643 23.978 15.888 -29.949 1.00 0.00 WAT +ATOM 17240 OH2 TIP3 3644 25.037 16.215 -39.215 1.00 0.00 WAT +ATOM 17241 H1 TIP3 3644 25.399 16.662 -40.000 1.00 0.00 WAT +ATOM 17242 H2 TIP3 3644 25.591 16.576 -38.508 1.00 0.00 WAT +ATOM 17243 OH2 TIP3 3645 22.860 28.304 -40.317 1.00 0.00 WAT +ATOM 17244 H1 TIP3 3645 22.111 28.833 -40.002 1.00 0.00 WAT +ATOM 17245 H2 TIP3 3645 23.417 28.987 -40.709 1.00 0.00 WAT +ATOM 17246 OH2 TIP3 3646 22.453 18.143 -38.150 1.00 0.00 WAT +ATOM 17247 H1 TIP3 3646 23.284 18.646 -38.019 1.00 0.00 WAT +ATOM 17248 H2 TIP3 3646 22.219 17.911 -37.230 1.00 0.00 WAT +ATOM 17249 OH2 TIP3 3647 22.895 18.974 -28.998 1.00 0.00 WAT +ATOM 17250 H1 TIP3 3647 22.929 19.494 -28.179 1.00 0.00 WAT +ATOM 17251 H2 TIP3 3647 23.423 18.199 -28.763 1.00 0.00 WAT +ATOM 17252 OH2 TIP3 3648 23.153 15.106 -37.235 1.00 0.00 WAT +ATOM 17253 H1 TIP3 3648 22.956 15.785 -36.565 1.00 0.00 WAT +ATOM 17254 H2 TIP3 3648 23.862 15.542 -37.749 1.00 0.00 WAT +ATOM 17255 OH2 TIP3 3649 20.049 29.488 -40.256 1.00 0.00 WAT +ATOM 17256 H1 TIP3 3649 20.119 30.344 -40.729 1.00 0.00 WAT +ATOM 17257 H2 TIP3 3649 19.941 29.775 -39.330 1.00 0.00 WAT +ATOM 17258 OH2 TIP3 3650 18.844 16.147 -40.817 1.00 0.00 WAT +ATOM 17259 H1 TIP3 3650 18.817 16.841 -40.137 1.00 0.00 WAT +ATOM 17260 H2 TIP3 3650 19.584 15.597 -40.495 1.00 0.00 WAT +ATOM 17261 OH2 TIP3 3651 29.160 16.994 -28.101 1.00 0.00 WAT +ATOM 17262 H1 TIP3 3651 28.202 17.120 -28.261 1.00 0.00 WAT +ATOM 17263 H2 TIP3 3651 29.417 16.749 -29.004 1.00 0.00 WAT +ATOM 17264 OH2 TIP3 3652 27.673 20.820 -34.082 1.00 0.00 WAT +ATOM 17265 H1 TIP3 3652 26.853 20.367 -34.355 1.00 0.00 WAT +ATOM 17266 H2 TIP3 3652 28.157 20.105 -33.616 1.00 0.00 WAT +ATOM 17267 OH2 TIP3 3653 17.172 27.047 -41.538 1.00 0.00 WAT +ATOM 17268 H1 TIP3 3653 18.001 27.358 -41.139 1.00 0.00 WAT +ATOM 17269 H2 TIP3 3653 17.495 26.625 -42.347 1.00 0.00 WAT +ATOM 17270 OH2 TIP3 3654 15.502 19.280 -42.507 1.00 0.00 WAT +ATOM 17271 H1 TIP3 3654 15.552 20.244 -42.354 1.00 0.00 WAT +ATOM 17272 H2 TIP3 3654 14.615 19.197 -42.902 1.00 0.00 WAT +ATOM 17273 OH2 TIP3 3655 28.730 29.697 -32.669 1.00 0.00 WAT +ATOM 17274 H1 TIP3 3655 28.563 30.505 -33.193 1.00 0.00 WAT +ATOM 17275 H2 TIP3 3655 29.675 29.810 -32.477 1.00 0.00 WAT +ATOM 17276 OH2 TIP3 3656 16.293 14.188 -33.706 1.00 0.00 WAT +ATOM 17277 H1 TIP3 3656 16.129 14.162 -34.671 1.00 0.00 WAT +ATOM 17278 H2 TIP3 3656 15.971 13.315 -33.414 1.00 0.00 WAT +ATOM 17279 OH2 TIP3 3657 15.174 27.693 -37.476 1.00 0.00 WAT +ATOM 17280 H1 TIP3 3657 14.400 28.217 -37.232 1.00 0.00 WAT +ATOM 17281 H2 TIP3 3657 15.571 28.222 -38.181 1.00 0.00 WAT +ATOM 17282 OH2 TIP3 3658 14.596 30.588 -26.279 1.00 0.00 WAT +ATOM 17283 H1 TIP3 3658 15.185 30.299 -25.554 1.00 0.00 WAT +ATOM 17284 H2 TIP3 3658 14.214 29.734 -26.565 1.00 0.00 WAT +ATOM 17285 OH2 TIP3 3659 19.280 29.655 -24.503 1.00 0.00 WAT +ATOM 17286 H1 TIP3 3659 19.976 29.018 -24.282 1.00 0.00 WAT +ATOM 17287 H2 TIP3 3659 19.063 29.385 -25.411 1.00 0.00 WAT +ATOM 17288 OH2 TIP3 3660 23.509 29.019 -43.346 1.00 0.00 WAT +ATOM 17289 H1 TIP3 3660 22.713 28.459 -43.258 1.00 0.00 WAT +ATOM 17290 H2 TIP3 3660 24.180 28.341 -43.516 1.00 0.00 WAT +ATOM 17291 OH2 TIP3 3661 25.774 27.917 -25.929 1.00 0.00 WAT +ATOM 17292 H1 TIP3 3661 25.382 27.110 -25.547 1.00 0.00 WAT +ATOM 17293 H2 TIP3 3661 26.460 28.143 -25.275 1.00 0.00 WAT +ATOM 17294 OH2 TIP3 3662 27.412 28.704 -42.893 1.00 0.00 WAT +ATOM 17295 H1 TIP3 3662 27.663 27.916 -42.389 1.00 0.00 WAT +ATOM 17296 H2 TIP3 3662 28.266 29.097 -43.144 1.00 0.00 WAT +ATOM 17297 OH2 TIP3 3663 14.542 24.224 -25.169 1.00 0.00 WAT +ATOM 17298 H1 TIP3 3663 14.622 23.304 -25.473 1.00 0.00 WAT +ATOM 17299 H2 TIP3 3663 13.766 24.519 -25.682 1.00 0.00 WAT +ATOM 17300 OH2 TIP3 3664 18.845 24.343 -43.198 1.00 0.00 WAT +ATOM 17301 H1 TIP3 3664 19.181 24.184 -42.307 1.00 0.00 WAT +ATOM 17302 H2 TIP3 3664 19.611 24.696 -43.679 1.00 0.00 WAT +ATOM 17303 OH2 TIP3 3665 21.199 24.408 -25.830 1.00 0.00 WAT +ATOM 17304 H1 TIP3 3665 20.875 24.740 -26.683 1.00 0.00 WAT +ATOM 17305 H2 TIP3 3665 21.248 23.441 -25.978 1.00 0.00 WAT +ATOM 17306 OH2 TIP3 3666 24.102 25.801 -43.475 1.00 0.00 WAT +ATOM 17307 H1 TIP3 3666 24.284 25.966 -42.530 1.00 0.00 WAT +ATOM 17308 H2 TIP3 3666 24.814 25.192 -43.716 1.00 0.00 WAT +ATOM 17309 OH2 TIP3 3667 26.557 24.023 -28.428 1.00 0.00 WAT +ATOM 17310 H1 TIP3 3667 27.336 24.564 -28.629 1.00 0.00 WAT +ATOM 17311 H2 TIP3 3667 25.856 24.696 -28.448 1.00 0.00 WAT +ATOM 17312 OH2 TIP3 3668 15.417 21.371 -25.991 1.00 0.00 WAT +ATOM 17313 H1 TIP3 3668 16.134 20.714 -25.982 1.00 0.00 WAT +ATOM 17314 H2 TIP3 3668 15.360 21.577 -25.043 1.00 0.00 WAT +ATOM 17315 OH2 TIP3 3669 19.953 22.555 -40.904 1.00 0.00 WAT +ATOM 17316 H1 TIP3 3669 19.276 22.357 -40.238 1.00 0.00 WAT +ATOM 17317 H2 TIP3 3669 19.763 21.852 -41.543 1.00 0.00 WAT +ATOM 17318 OH2 TIP3 3670 19.061 20.474 -28.576 1.00 0.00 WAT +ATOM 17319 H1 TIP3 3670 18.536 21.264 -28.351 1.00 0.00 WAT +ATOM 17320 H2 TIP3 3670 19.724 20.846 -29.185 1.00 0.00 WAT +ATOM 17321 OH2 TIP3 3671 24.385 23.199 -24.991 1.00 0.00 WAT +ATOM 17322 H1 TIP3 3671 25.277 23.007 -25.316 1.00 0.00 WAT +ATOM 17323 H2 TIP3 3671 24.113 22.345 -24.633 1.00 0.00 WAT +ATOM 17324 OH2 TIP3 3672 19.682 17.795 -27.423 1.00 0.00 WAT +ATOM 17325 H1 TIP3 3672 19.732 17.121 -28.127 1.00 0.00 WAT +ATOM 17326 H2 TIP3 3672 19.453 18.591 -27.933 1.00 0.00 WAT +ATOM 17327 OH2 TIP3 3673 19.996 16.250 -29.965 1.00 0.00 WAT +ATOM 17328 H1 TIP3 3673 20.517 16.764 -30.612 1.00 0.00 WAT +ATOM 17329 H2 TIP3 3673 19.088 16.279 -30.333 1.00 0.00 WAT +ATOM 17330 OH2 TIP3 3674 21.550 21.693 -29.561 1.00 0.00 WAT +ATOM 17331 H1 TIP3 3674 22.383 21.610 -30.047 1.00 0.00 WAT +ATOM 17332 H2 TIP3 3674 21.238 22.567 -29.870 1.00 0.00 WAT +ATOM 17333 OH2 TIP3 3675 26.138 19.606 -24.702 1.00 0.00 WAT +ATOM 17334 H1 TIP3 3675 26.394 18.677 -24.778 1.00 0.00 WAT +ATOM 17335 H2 TIP3 3675 26.987 20.051 -24.859 1.00 0.00 WAT +ATOM 17336 OH2 TIP3 3676 27.093 22.411 -26.284 1.00 0.00 WAT +ATOM 17337 H1 TIP3 3676 26.748 23.028 -26.965 1.00 0.00 WAT +ATOM 17338 H2 TIP3 3676 27.992 22.269 -26.645 1.00 0.00 WAT +ATOM 17339 OH2 TIP3 3677 17.892 19.623 -25.623 1.00 0.00 WAT +ATOM 17340 H1 TIP3 3677 17.341 18.820 -25.609 1.00 0.00 WAT +ATOM 17341 H2 TIP3 3677 18.689 19.305 -26.073 1.00 0.00 WAT +ATOM 17342 OH2 TIP3 3678 20.716 13.577 -29.603 1.00 0.00 WAT +ATOM 17343 H1 TIP3 3678 20.539 14.527 -29.774 1.00 0.00 WAT +ATOM 17344 H2 TIP3 3678 20.025 13.153 -30.148 1.00 0.00 WAT +ATOM 17345 OH2 TIP3 3679 21.982 18.145 -25.815 1.00 0.00 WAT +ATOM 17346 H1 TIP3 3679 21.601 17.930 -24.945 1.00 0.00 WAT +ATOM 17347 H2 TIP3 3679 21.198 17.955 -26.375 1.00 0.00 WAT +ATOM 17348 OH2 TIP3 3680 24.536 17.212 -26.942 1.00 0.00 WAT +ATOM 17349 H1 TIP3 3680 23.639 17.235 -26.561 1.00 0.00 WAT +ATOM 17350 H2 TIP3 3680 24.976 16.553 -26.373 1.00 0.00 WAT +ATOM 17351 OH2 TIP3 3681 26.368 15.719 -25.152 1.00 0.00 WAT +ATOM 17352 H1 TIP3 3681 26.226 14.752 -25.075 1.00 0.00 WAT +ATOM 17353 H2 TIP3 3681 26.152 16.040 -24.265 1.00 0.00 WAT +ATOM 17354 OH2 TIP3 3682 16.557 17.076 -25.783 1.00 0.00 WAT +ATOM 17355 H1 TIP3 3682 16.452 16.373 -26.443 1.00 0.00 WAT +ATOM 17356 H2 TIP3 3682 16.309 16.612 -24.962 1.00 0.00 WAT +ATOM 17357 OH2 TIP3 3683 20.563 13.056 -26.788 1.00 0.00 WAT +ATOM 17358 H1 TIP3 3683 21.171 12.299 -26.751 1.00 0.00 WAT +ATOM 17359 H2 TIP3 3683 20.524 13.208 -27.754 1.00 0.00 WAT +ATOM 17360 OH2 TIP3 3684 21.510 14.940 -24.937 1.00 0.00 WAT +ATOM 17361 H1 TIP3 3684 21.208 14.343 -25.652 1.00 0.00 WAT +ATOM 17362 H2 TIP3 3684 20.808 15.611 -24.915 1.00 0.00 WAT +ATOM 17363 OH2 TIP3 3685 20.640 31.941 -41.741 1.00 0.00 WAT +ATOM 17364 H1 TIP3 3685 21.581 32.128 -41.601 1.00 0.00 WAT +ATOM 17365 H2 TIP3 3685 20.385 32.588 -42.418 1.00 0.00 WAT +ATOM 17366 OH2 TIP3 3686 14.488 25.994 -41.945 1.00 0.00 WAT +ATOM 17367 H1 TIP3 3686 15.367 26.409 -41.983 1.00 0.00 WAT +ATOM 17368 H2 TIP3 3686 14.429 25.524 -42.789 1.00 0.00 WAT +ATOM 17369 OH2 TIP3 3687 13.542 31.528 -37.227 1.00 0.00 WAT +ATOM 17370 H1 TIP3 3687 12.790 31.200 -37.762 1.00 0.00 WAT +ATOM 17371 H2 TIP3 3687 13.561 30.876 -36.498 1.00 0.00 WAT +ATOM 17372 OH2 TIP3 3688 13.883 29.569 -35.205 1.00 0.00 WAT +ATOM 17373 H1 TIP3 3688 13.577 28.705 -34.883 1.00 0.00 WAT +ATOM 17374 H2 TIP3 3688 14.205 29.939 -34.368 1.00 0.00 WAT +ATOM 17375 OH2 TIP3 3689 31.535 30.809 -32.240 1.00 0.00 WAT +ATOM 17376 H1 TIP3 3689 31.711 30.800 -31.290 1.00 0.00 WAT +ATOM 17377 H2 TIP3 3689 32.358 31.206 -32.577 1.00 0.00 WAT +ATOM 17378 OH2 TIP3 3690 31.301 30.302 -29.296 1.00 0.00 WAT +ATOM 17379 H1 TIP3 3690 30.813 29.559 -29.694 1.00 0.00 WAT +ATOM 17380 H2 TIP3 3690 31.869 29.821 -28.675 1.00 0.00 WAT +ATOM 17381 OH2 TIP3 3691 29.306 25.711 -25.008 1.00 0.00 WAT +ATOM 17382 H1 TIP3 3691 28.418 25.816 -24.624 1.00 0.00 WAT +ATOM 17383 H2 TIP3 3691 29.759 26.523 -24.724 1.00 0.00 WAT +ATOM 17384 OH2 TIP3 3692 30.710 24.563 -39.307 1.00 0.00 WAT +ATOM 17385 H1 TIP3 3692 31.605 24.933 -39.170 1.00 0.00 WAT +ATOM 17386 H2 TIP3 3692 30.678 23.929 -38.565 1.00 0.00 WAT +ATOM 17387 OH2 TIP3 3693 31.160 22.562 -37.324 1.00 0.00 WAT +ATOM 17388 H1 TIP3 3693 30.494 22.010 -36.871 1.00 0.00 WAT +ATOM 17389 H2 TIP3 3693 31.846 22.698 -36.642 1.00 0.00 WAT +ATOM 17390 OH2 TIP3 3694 30.892 25.078 -32.337 1.00 0.00 WAT +ATOM 17391 H1 TIP3 3694 31.511 24.596 -32.905 1.00 0.00 WAT +ATOM 17392 H2 TIP3 3694 31.030 25.995 -32.632 1.00 0.00 WAT +ATOM 17393 OH2 TIP3 3695 29.609 27.979 -30.079 1.00 0.00 WAT +ATOM 17394 H1 TIP3 3695 28.878 28.400 -29.594 1.00 0.00 WAT +ATOM 17395 H2 TIP3 3695 29.157 27.638 -30.875 1.00 0.00 WAT +ATOM 17396 OH2 TIP3 3696 31.454 22.232 -41.068 1.00 0.00 WAT +ATOM 17397 H1 TIP3 3696 30.840 22.530 -41.755 1.00 0.00 WAT +ATOM 17398 H2 TIP3 3696 31.274 22.892 -40.378 1.00 0.00 WAT +ATOM 17399 OH2 TIP3 3697 29.670 19.631 -42.133 1.00 0.00 WAT +ATOM 17400 H1 TIP3 3697 29.966 20.342 -42.723 1.00 0.00 WAT +ATOM 17401 H2 TIP3 3697 29.992 18.850 -42.592 1.00 0.00 WAT +ATOM 17402 OH2 TIP3 3698 29.069 20.728 -36.512 1.00 0.00 WAT +ATOM 17403 H1 TIP3 3698 28.998 19.774 -36.675 1.00 0.00 WAT +ATOM 17404 H2 TIP3 3698 28.693 20.816 -35.614 1.00 0.00 WAT +ATOM 17405 OH2 TIP3 3699 13.949 22.923 -32.799 1.00 0.00 WAT +ATOM 17406 H1 TIP3 3699 14.204 22.981 -33.735 1.00 0.00 WAT +ATOM 17407 H2 TIP3 3699 14.814 22.710 -32.392 1.00 0.00 WAT +ATOM 17408 OH2 TIP3 3700 29.703 22.639 -27.352 1.00 0.00 WAT +ATOM 17409 H1 TIP3 3700 30.450 22.033 -27.189 1.00 0.00 WAT +ATOM 17410 H2 TIP3 3700 30.152 23.472 -27.555 1.00 0.00 WAT +ATOM 17411 OH2 TIP3 3701 31.256 20.738 -26.114 1.00 0.00 WAT +ATOM 17412 H1 TIP3 3701 30.470 20.208 -26.363 1.00 0.00 WAT +ATOM 17413 H2 TIP3 3701 31.967 20.071 -26.168 1.00 0.00 WAT +ATOM 17414 OH2 TIP3 3702 28.894 16.505 -43.334 1.00 0.00 WAT +ATOM 17415 H1 TIP3 3702 29.447 16.166 -42.623 1.00 0.00 WAT +ATOM 17416 H2 TIP3 3702 28.028 16.088 -43.178 1.00 0.00 WAT +ATOM 17417 OH2 TIP3 3703 28.913 18.245 -38.348 1.00 0.00 WAT +ATOM 17418 H1 TIP3 3703 29.166 17.298 -38.281 1.00 0.00 WAT +ATOM 17419 H2 TIP3 3703 29.727 18.620 -38.722 1.00 0.00 WAT +ATOM 17420 OH2 TIP3 3704 29.206 18.822 -32.888 1.00 0.00 WAT +ATOM 17421 H1 TIP3 3704 30.179 18.925 -32.911 1.00 0.00 WAT +ATOM 17422 H2 TIP3 3704 29.057 18.839 -31.927 1.00 0.00 WAT +ATOM 17423 OH2 TIP3 3705 29.373 19.517 -30.056 1.00 0.00 WAT +ATOM 17424 H1 TIP3 3705 28.513 19.902 -29.805 1.00 0.00 WAT +ATOM 17425 H2 TIP3 3705 29.892 20.313 -30.281 1.00 0.00 WAT +ATOM 17426 OH2 TIP3 3706 13.883 18.307 -26.430 1.00 0.00 WAT +ATOM 17427 H1 TIP3 3706 14.815 18.040 -26.349 1.00 0.00 WAT +ATOM 17428 H2 TIP3 3706 13.431 17.447 -26.344 1.00 0.00 WAT +ATOM 17429 OH2 TIP3 3707 31.911 13.670 -24.780 1.00 0.00 WAT +ATOM 17430 H1 TIP3 3707 32.342 12.974 -25.312 1.00 0.00 WAT +ATOM 17431 H2 TIP3 3707 31.963 14.442 -25.374 1.00 0.00 WAT +ATOM 17432 OH2 TIP3 3708 29.418 15.487 -38.298 1.00 0.00 WAT +ATOM 17433 H1 TIP3 3708 29.523 15.113 -37.407 1.00 0.00 WAT +ATOM 17434 H2 TIP3 3708 28.679 14.946 -38.645 1.00 0.00 WAT +ATOM 17435 OH2 TIP3 3709 14.632 16.609 -33.595 1.00 0.00 WAT +ATOM 17436 H1 TIP3 3709 15.097 15.756 -33.534 1.00 0.00 WAT +ATOM 17437 H2 TIP3 3709 15.313 17.213 -33.244 1.00 0.00 WAT +ATOM 17438 OH2 TIP3 3710 13.175 19.285 -32.549 1.00 0.00 WAT +ATOM 17439 H1 TIP3 3710 13.752 19.256 -33.329 1.00 0.00 WAT +ATOM 17440 H2 TIP3 3710 13.532 20.053 -32.085 1.00 0.00 WAT +ATOM 17441 OH2 TIP3 3711 31.304 15.731 -26.541 1.00 0.00 WAT +ATOM 17442 H1 TIP3 3711 30.420 16.137 -26.509 1.00 0.00 WAT +ATOM 17443 H2 TIP3 3711 31.197 15.161 -27.325 1.00 0.00 WAT +ATOM 17444 OH2 TIP3 3712 31.453 15.874 -41.740 1.00 0.00 WAT +ATOM 17445 H1 TIP3 3712 31.683 15.166 -42.351 1.00 0.00 WAT +ATOM 17446 H2 TIP3 3712 32.280 16.382 -41.703 1.00 0.00 WAT +ATOM 17447 OH2 TIP3 3713 13.658 15.678 -38.486 1.00 0.00 WAT +ATOM 17448 H1 TIP3 3713 12.716 15.661 -38.725 1.00 0.00 WAT +ATOM 17449 H2 TIP3 3713 14.048 16.230 -39.191 1.00 0.00 WAT +ATOM 17450 OH2 TIP3 3714 28.263 30.863 -36.375 1.00 0.00 WAT +ATOM 17451 H1 TIP3 3714 28.717 30.643 -37.207 1.00 0.00 WAT +ATOM 17452 H2 TIP3 3714 28.971 31.290 -35.877 1.00 0.00 WAT +ATOM 17453 OH2 TIP3 3715 13.592 14.545 -30.202 1.00 0.00 WAT +ATOM 17454 H1 TIP3 3715 12.872 14.094 -29.756 1.00 0.00 WAT +ATOM 17455 H2 TIP3 3715 13.123 15.028 -30.908 1.00 0.00 WAT +ATOM 17456 OH2 TIP3 3716 15.702 27.630 -25.670 1.00 0.00 WAT +ATOM 17457 H1 TIP3 3716 14.971 27.576 -26.302 1.00 0.00 WAT +ATOM 17458 H2 TIP3 3716 15.249 27.538 -24.821 1.00 0.00 WAT +ATOM 17459 OH2 TIP3 3717 18.542 28.582 -30.003 1.00 0.00 WAT +ATOM 17460 H1 TIP3 3717 18.232 29.438 -30.346 1.00 0.00 WAT +ATOM 17461 H2 TIP3 3717 19.501 28.676 -30.173 1.00 0.00 WAT +ATOM 17462 OH2 TIP3 3718 23.051 29.888 -26.983 1.00 0.00 WAT +ATOM 17463 H1 TIP3 3718 23.192 29.724 -26.036 1.00 0.00 WAT +ATOM 17464 H2 TIP3 3718 23.883 30.340 -27.231 1.00 0.00 WAT +ATOM 17465 OH2 TIP3 3719 25.341 31.351 -27.747 1.00 0.00 WAT +ATOM 17466 H1 TIP3 3719 26.029 30.706 -27.971 1.00 0.00 WAT +ATOM 17467 H2 TIP3 3719 25.644 31.655 -26.869 1.00 0.00 WAT +ATOM 17468 OH2 TIP3 3720 30.171 13.946 -28.550 1.00 0.00 WAT +ATOM 17469 H1 TIP3 3720 29.366 14.134 -29.064 1.00 0.00 WAT +ATOM 17470 H2 TIP3 3720 30.393 13.048 -28.875 1.00 0.00 WAT +ATOM 17471 OH2 TIP3 3721 15.915 31.542 -29.663 1.00 0.00 WAT +ATOM 17472 H1 TIP3 3721 15.318 32.171 -30.109 1.00 0.00 WAT +ATOM 17473 H2 TIP3 3721 15.575 31.585 -28.762 1.00 0.00 WAT +ATOM 17474 OH2 TIP3 3722 18.410 31.314 -31.113 1.00 0.00 WAT +ATOM 17475 H1 TIP3 3722 17.556 31.500 -30.675 1.00 0.00 WAT +ATOM 17476 H2 TIP3 3722 18.444 32.008 -31.797 1.00 0.00 WAT +ATOM 17477 OH2 TIP3 3723 23.152 31.312 -31.551 1.00 0.00 WAT +ATOM 17478 H1 TIP3 3723 22.779 31.762 -32.329 1.00 0.00 WAT +ATOM 17479 H2 TIP3 3723 23.240 32.054 -30.923 1.00 0.00 WAT +ATOM 17480 OH2 TIP3 3724 25.486 30.024 -30.635 1.00 0.00 WAT +ATOM 17481 H1 TIP3 3724 24.641 30.387 -30.962 1.00 0.00 WAT +ATOM 17482 H2 TIP3 3724 26.052 30.810 -30.650 1.00 0.00 WAT +ATOM 17483 OH2 TIP3 3725 28.018 31.753 -30.440 1.00 0.00 WAT +ATOM 17484 H1 TIP3 3725 27.979 32.702 -30.670 1.00 0.00 WAT +ATOM 17485 H2 TIP3 3725 28.299 31.374 -31.290 1.00 0.00 WAT +ATOM 17486 OH2 TIP3 3726 15.499 30.336 -32.719 1.00 0.00 WAT +ATOM 17487 H1 TIP3 3726 15.475 29.847 -31.867 1.00 0.00 WAT +ATOM 17488 H2 TIP3 3726 16.261 29.902 -33.151 1.00 0.00 WAT +ATOM 17489 OH2 TIP3 3727 17.521 29.089 -34.293 1.00 0.00 WAT +ATOM 17490 H1 TIP3 3727 17.359 28.165 -34.008 1.00 0.00 WAT +ATOM 17491 H2 TIP3 3727 18.427 29.244 -33.960 1.00 0.00 WAT +ATOM 17492 OH2 TIP3 3728 20.270 29.550 -33.394 1.00 0.00 WAT +ATOM 17493 H1 TIP3 3728 20.461 28.618 -33.602 1.00 0.00 WAT +ATOM 17494 H2 TIP3 3728 20.340 29.532 -32.426 1.00 0.00 WAT +ATOM 17495 OH2 TIP3 3729 23.597 15.444 -34.096 1.00 0.00 WAT +ATOM 17496 H1 TIP3 3729 22.911 14.765 -33.948 1.00 0.00 WAT +ATOM 17497 H2 TIP3 3729 24.204 14.981 -34.695 1.00 0.00 WAT +ATOM 17498 OH2 TIP3 3730 28.550 13.484 -33.617 1.00 0.00 WAT +ATOM 17499 H1 TIP3 3730 29.309 13.912 -34.049 1.00 0.00 WAT +ATOM 17500 H2 TIP3 3730 27.805 13.753 -34.181 1.00 0.00 WAT +ATOM 17501 OH2 TIP3 3731 30.637 14.561 -35.745 1.00 0.00 WAT +ATOM 17502 H1 TIP3 3731 31.342 14.156 -36.277 1.00 0.00 WAT +ATOM 17503 H2 TIP3 3731 30.946 15.486 -35.672 1.00 0.00 WAT +ATOM 17504 OH2 TIP3 3732 15.964 14.164 -36.526 1.00 0.00 WAT +ATOM 17505 H1 TIP3 3732 15.099 14.044 -36.966 1.00 0.00 WAT +ATOM 17506 H2 TIP3 3732 16.373 13.292 -36.682 1.00 0.00 WAT +ATOM 17507 OH2 TIP3 3733 14.756 13.711 -40.786 1.00 0.00 WAT +ATOM 17508 H1 TIP3 3733 15.331 14.346 -41.267 1.00 0.00 WAT +ATOM 17509 H2 TIP3 3733 14.398 14.270 -40.080 1.00 0.00 WAT +ATOM 17510 OH2 TIP3 3734 20.414 14.016 -36.657 1.00 0.00 WAT +ATOM 17511 H1 TIP3 3734 21.338 14.277 -36.802 1.00 0.00 WAT +ATOM 17512 H2 TIP3 3734 20.402 13.889 -35.701 1.00 0.00 WAT +ATOM 17513 OH2 TIP3 3735 26.031 14.024 -35.237 1.00 0.00 WAT +ATOM 17514 H1 TIP3 3735 26.269 13.874 -36.163 1.00 0.00 WAT +ATOM 17515 H2 TIP3 3735 25.633 13.166 -34.995 1.00 0.00 WAT +ATOM 17516 OH2 TIP3 3736 27.061 14.004 -39.197 1.00 0.00 WAT +ATOM 17517 H1 TIP3 3736 26.275 14.446 -39.557 1.00 0.00 WAT +ATOM 17518 H2 TIP3 3736 26.745 13.082 -39.145 1.00 0.00 WAT +ATOM 17519 OH2 TIP3 3737 14.836 29.616 -39.673 1.00 0.00 WAT +ATOM 17520 H1 TIP3 3737 14.101 29.601 -40.309 1.00 0.00 WAT +ATOM 17521 H2 TIP3 3737 14.821 30.542 -39.404 1.00 0.00 WAT +ATOM 17522 OH2 TIP3 3738 16.418 15.459 -42.295 1.00 0.00 WAT +ATOM 17523 H1 TIP3 3738 16.926 14.832 -42.829 1.00 0.00 WAT +ATOM 17524 H2 TIP3 3738 17.123 15.892 -41.780 1.00 0.00 WAT +ATOM 17525 OH2 TIP3 3739 21.554 15.641 -39.594 1.00 0.00 WAT +ATOM 17526 H1 TIP3 3739 21.937 15.076 -38.906 1.00 0.00 WAT +ATOM 17527 H2 TIP3 3739 21.782 16.516 -39.245 1.00 0.00 WAT +ATOM 17528 OH2 TIP3 3740 23.595 31.239 -41.451 1.00 0.00 WAT +ATOM 17529 H1 TIP3 3740 24.569 31.365 -41.494 1.00 0.00 WAT +ATOM 17530 H2 TIP3 3740 23.482 30.640 -42.212 1.00 0.00 WAT +ATOM 17531 OH2 TIP3 3741 30.031 30.450 -38.850 1.00 0.00 WAT +ATOM 17532 H1 TIP3 3741 29.834 29.618 -39.322 1.00 0.00 WAT +ATOM 17533 H2 TIP3 3741 29.994 31.108 -39.571 1.00 0.00 WAT +ATOM 17534 OH2 TIP3 3742 15.750 14.380 -27.010 1.00 0.00 WAT +ATOM 17535 H1 TIP3 3742 15.349 13.574 -26.638 1.00 0.00 WAT +ATOM 17536 H2 TIP3 3742 16.672 14.271 -26.730 1.00 0.00 WAT +ATOM 17537 OH2 TIP3 3743 18.143 13.782 -25.264 1.00 0.00 WAT +ATOM 17538 H1 TIP3 3743 18.960 13.435 -25.676 1.00 0.00 WAT +ATOM 17539 H2 TIP3 3743 17.783 12.980 -24.854 1.00 0.00 WAT +ATOM 17540 OH2 TIP3 3744 16.823 30.678 -42.324 1.00 0.00 WAT +ATOM 17541 H1 TIP3 3744 16.403 30.946 -41.497 1.00 0.00 WAT +ATOM 17542 H2 TIP3 3744 17.461 30.014 -42.048 1.00 0.00 WAT +ATOM 17543 OH2 TIP3 3745 26.261 12.917 -25.092 1.00 0.00 WAT +ATOM 17544 H1 TIP3 3745 26.291 12.474 -24.222 1.00 0.00 WAT +ATOM 17545 H2 TIP3 3745 27.197 12.862 -25.363 1.00 0.00 WAT +ATOM 17546 OH2 TIP3 3746 29.622 29.227 -26.406 1.00 0.00 WAT +ATOM 17547 H1 TIP3 3746 28.890 29.032 -27.018 1.00 0.00 WAT +ATOM 17548 H2 TIP3 3746 29.446 30.165 -26.207 1.00 0.00 WAT +ATOM 17549 OH2 TIP3 3747 42.133 21.965 -33.128 1.00 0.00 WAT +ATOM 17550 H1 TIP3 3747 42.912 22.276 -32.628 1.00 0.00 WAT +ATOM 17551 H2 TIP3 3747 42.461 21.971 -34.034 1.00 0.00 WAT +ATOM 17552 OH2 TIP3 3748 35.146 21.927 -31.522 1.00 0.00 WAT +ATOM 17553 H1 TIP3 3748 35.142 21.184 -30.892 1.00 0.00 WAT +ATOM 17554 H2 TIP3 3748 35.867 22.469 -31.170 1.00 0.00 WAT +ATOM 17555 OH2 TIP3 3749 35.801 26.549 -33.003 1.00 0.00 WAT +ATOM 17556 H1 TIP3 3749 35.572 25.636 -33.277 1.00 0.00 WAT +ATOM 17557 H2 TIP3 3749 36.746 26.440 -32.821 1.00 0.00 WAT +ATOM 17558 OH2 TIP3 3750 32.811 19.961 -37.634 1.00 0.00 WAT +ATOM 17559 H1 TIP3 3750 32.414 20.839 -37.520 1.00 0.00 WAT +ATOM 17560 H2 TIP3 3750 32.097 19.482 -38.076 1.00 0.00 WAT +ATOM 17561 OH2 TIP3 3751 33.597 22.416 -35.795 1.00 0.00 WAT +ATOM 17562 H1 TIP3 3751 33.758 21.594 -35.293 1.00 0.00 WAT +ATOM 17563 H2 TIP3 3751 34.447 22.546 -36.236 1.00 0.00 WAT +ATOM 17564 OH2 TIP3 3752 41.197 24.854 -32.525 1.00 0.00 WAT +ATOM 17565 H1 TIP3 3752 41.459 24.120 -33.104 1.00 0.00 WAT +ATOM 17566 H2 TIP3 3752 42.037 25.075 -32.104 1.00 0.00 WAT +ATOM 17567 OH2 TIP3 3753 37.446 17.196 -35.049 1.00 0.00 WAT +ATOM 17568 H1 TIP3 3753 37.583 18.059 -35.489 1.00 0.00 WAT +ATOM 17569 H2 TIP3 3753 37.072 16.688 -35.791 1.00 0.00 WAT +ATOM 17570 OH2 TIP3 3754 34.117 19.925 -34.534 1.00 0.00 WAT +ATOM 17571 H1 TIP3 3754 34.751 19.454 -33.969 1.00 0.00 WAT +ATOM 17572 H2 TIP3 3754 34.204 19.438 -35.372 1.00 0.00 WAT +ATOM 17573 OH2 TIP3 3755 39.516 21.286 -35.065 1.00 0.00 WAT +ATOM 17574 H1 TIP3 3755 40.268 20.766 -34.717 1.00 0.00 WAT +ATOM 17575 H2 TIP3 3755 39.019 20.592 -35.533 1.00 0.00 WAT +ATOM 17576 OH2 TIP3 3756 36.240 15.981 -30.890 1.00 0.00 WAT +ATOM 17577 H1 TIP3 3756 35.841 16.489 -31.612 1.00 0.00 WAT +ATOM 17578 H2 TIP3 3756 35.578 16.116 -30.183 1.00 0.00 WAT +ATOM 17579 OH2 TIP3 3757 39.152 23.811 -30.743 1.00 0.00 WAT +ATOM 17580 H1 TIP3 3757 38.430 24.421 -30.488 1.00 0.00 WAT +ATOM 17581 H2 TIP3 3757 39.805 24.419 -31.135 1.00 0.00 WAT +ATOM 17582 OH2 TIP3 3758 35.838 18.030 -32.949 1.00 0.00 WAT +ATOM 17583 H1 TIP3 3758 36.481 18.609 -32.486 1.00 0.00 WAT +ATOM 17584 H2 TIP3 3758 36.416 17.664 -33.654 1.00 0.00 WAT +ATOM 17585 OH2 TIP3 3759 37.154 25.731 -30.020 1.00 0.00 WAT +ATOM 17586 H1 TIP3 3759 37.137 26.642 -30.364 1.00 0.00 WAT +ATOM 17587 H2 TIP3 3759 36.278 25.701 -29.590 1.00 0.00 WAT +ATOM 17588 OH2 TIP3 3760 33.451 25.467 -39.181 1.00 0.00 WAT +ATOM 17589 H1 TIP3 3760 33.271 25.934 -40.015 1.00 0.00 WAT +ATOM 17590 H2 TIP3 3760 33.636 26.210 -38.558 1.00 0.00 WAT +ATOM 17591 OH2 TIP3 3761 40.425 13.450 -33.751 1.00 0.00 WAT +ATOM 17592 H1 TIP3 3761 40.142 12.517 -33.751 1.00 0.00 WAT +ATOM 17593 H2 TIP3 3761 39.631 13.889 -33.381 1.00 0.00 WAT +ATOM 17594 OH2 TIP3 3762 42.720 22.245 -39.182 1.00 0.00 WAT +ATOM 17595 H1 TIP3 3762 42.019 22.926 -39.221 1.00 0.00 WAT +ATOM 17596 H2 TIP3 3762 43.377 22.645 -39.755 1.00 0.00 WAT +ATOM 17597 OH2 TIP3 3763 42.864 20.823 -42.127 1.00 0.00 WAT +ATOM 17598 H1 TIP3 3763 43.524 20.887 -41.416 1.00 0.00 WAT +ATOM 17599 H2 TIP3 3763 43.021 19.945 -42.475 1.00 0.00 WAT +ATOM 17600 OH2 TIP3 3764 37.579 23.169 -36.141 1.00 0.00 WAT +ATOM 17601 H1 TIP3 3764 37.288 22.739 -36.967 1.00 0.00 WAT +ATOM 17602 H2 TIP3 3764 38.240 22.536 -35.805 1.00 0.00 WAT +ATOM 17603 OH2 TIP3 3765 38.958 26.562 -33.395 1.00 0.00 WAT +ATOM 17604 H1 TIP3 3765 38.875 26.186 -34.281 1.00 0.00 WAT +ATOM 17605 H2 TIP3 3765 39.760 26.118 -33.061 1.00 0.00 WAT +ATOM 17606 OH2 TIP3 3766 38.153 22.005 -32.674 1.00 0.00 WAT +ATOM 17607 H1 TIP3 3766 38.758 21.992 -33.442 1.00 0.00 WAT +ATOM 17608 H2 TIP3 3766 38.574 22.662 -32.087 1.00 0.00 WAT +ATOM 17609 OH2 TIP3 3767 39.032 26.345 -27.844 1.00 0.00 WAT +ATOM 17610 H1 TIP3 3767 38.515 27.009 -27.356 1.00 0.00 WAT +ATOM 17611 H2 TIP3 3767 38.397 26.079 -28.536 1.00 0.00 WAT +ATOM 17612 OH2 TIP3 3768 35.950 22.690 -28.694 1.00 0.00 WAT +ATOM 17613 H1 TIP3 3768 36.002 23.302 -27.937 1.00 0.00 WAT +ATOM 17614 H2 TIP3 3768 34.987 22.593 -28.796 1.00 0.00 WAT +ATOM 17615 OH2 TIP3 3769 42.509 28.437 -36.992 1.00 0.00 WAT +ATOM 17616 H1 TIP3 3769 42.992 28.918 -36.298 1.00 0.00 WAT +ATOM 17617 H2 TIP3 3769 41.993 29.145 -37.401 1.00 0.00 WAT +ATOM 17618 OH2 TIP3 3770 37.109 28.522 -27.015 1.00 0.00 WAT +ATOM 17619 H1 TIP3 3770 37.007 28.549 -27.983 1.00 0.00 WAT +ATOM 17620 H2 TIP3 3770 36.230 28.227 -26.711 1.00 0.00 WAT +ATOM 17621 OH2 TIP3 3771 36.524 21.917 -38.648 1.00 0.00 WAT +ATOM 17622 H1 TIP3 3771 36.281 22.694 -39.183 1.00 0.00 WAT +ATOM 17623 H2 TIP3 3771 35.818 21.298 -38.873 1.00 0.00 WAT +ATOM 17624 OH2 TIP3 3772 32.550 24.609 -29.893 1.00 0.00 WAT +ATOM 17625 H1 TIP3 3772 32.119 24.612 -30.770 1.00 0.00 WAT +ATOM 17626 H2 TIP3 3772 32.689 23.657 -29.737 1.00 0.00 WAT +ATOM 17627 OH2 TIP3 3773 32.613 27.526 -32.955 1.00 0.00 WAT +ATOM 17628 H1 TIP3 3773 33.545 27.262 -32.926 1.00 0.00 WAT +ATOM 17629 H2 TIP3 3773 32.575 28.156 -32.220 1.00 0.00 WAT +ATOM 17630 OH2 TIP3 3774 41.730 27.354 -28.334 1.00 0.00 WAT +ATOM 17631 H1 TIP3 3774 41.802 28.240 -27.953 1.00 0.00 WAT +ATOM 17632 H2 TIP3 3774 40.817 27.087 -28.121 1.00 0.00 WAT +ATOM 17633 OH2 TIP3 3775 41.835 31.165 -38.459 1.00 0.00 WAT +ATOM 17634 H1 TIP3 3775 42.064 31.111 -39.403 1.00 0.00 WAT +ATOM 17635 H2 TIP3 3775 42.107 32.053 -38.208 1.00 0.00 WAT +ATOM 17636 OH2 TIP3 3776 35.776 30.038 -37.031 1.00 0.00 WAT +ATOM 17637 H1 TIP3 3776 35.864 30.133 -36.067 1.00 0.00 WAT +ATOM 17638 H2 TIP3 3776 34.855 30.296 -37.153 1.00 0.00 WAT +ATOM 17639 OH2 TIP3 3777 34.735 26.200 -28.667 1.00 0.00 WAT +ATOM 17640 H1 TIP3 3777 35.003 25.725 -27.856 1.00 0.00 WAT +ATOM 17641 H2 TIP3 3777 34.008 25.655 -29.017 1.00 0.00 WAT +ATOM 17642 OH2 TIP3 3778 37.971 14.616 -32.906 1.00 0.00 WAT +ATOM 17643 H1 TIP3 3778 37.137 14.548 -33.405 1.00 0.00 WAT +ATOM 17644 H2 TIP3 3778 37.759 15.361 -32.323 1.00 0.00 WAT +ATOM 17645 OH2 TIP3 3779 42.338 13.987 -28.625 1.00 0.00 WAT +ATOM 17646 H1 TIP3 3779 42.451 13.264 -27.990 1.00 0.00 WAT +ATOM 17647 H2 TIP3 3779 41.424 13.814 -28.935 1.00 0.00 WAT +ATOM 17648 OH2 TIP3 3780 42.233 16.691 -42.073 1.00 0.00 WAT +ATOM 17649 H1 TIP3 3780 41.588 16.656 -41.359 1.00 0.00 WAT +ATOM 17650 H2 TIP3 3780 41.887 16.029 -42.683 1.00 0.00 WAT +ATOM 17651 OH2 TIP3 3781 37.786 19.425 -31.491 1.00 0.00 WAT +ATOM 17652 H1 TIP3 3781 37.204 19.545 -30.724 1.00 0.00 WAT +ATOM 17653 H2 TIP3 3781 37.875 20.337 -31.843 1.00 0.00 WAT +ATOM 17654 OH2 TIP3 3782 37.741 19.479 -36.599 1.00 0.00 WAT +ATOM 17655 H1 TIP3 3782 36.783 19.394 -36.756 1.00 0.00 WAT +ATOM 17656 H2 TIP3 3782 38.085 19.317 -37.497 1.00 0.00 WAT +ATOM 17657 OH2 TIP3 3783 42.722 19.994 -37.113 1.00 0.00 WAT +ATOM 17658 H1 TIP3 3783 42.655 20.931 -37.364 1.00 0.00 WAT +ATOM 17659 H2 TIP3 3783 43.658 19.897 -36.888 1.00 0.00 WAT +ATOM 17660 OH2 TIP3 3784 42.515 20.315 -26.259 1.00 0.00 WAT +ATOM 17661 H1 TIP3 3784 41.948 19.522 -26.133 1.00 0.00 WAT +ATOM 17662 H2 TIP3 3784 43.384 19.871 -26.294 1.00 0.00 WAT +ATOM 17663 OH2 TIP3 3785 35.146 19.590 -29.631 1.00 0.00 WAT +ATOM 17664 H1 TIP3 3785 35.441 19.883 -28.760 1.00 0.00 WAT +ATOM 17665 H2 TIP3 3785 34.817 18.695 -29.436 1.00 0.00 WAT +ATOM 17666 OH2 TIP3 3786 38.927 16.933 -43.137 1.00 0.00 WAT +ATOM 17667 H1 TIP3 3786 38.550 16.726 -42.262 1.00 0.00 WAT +ATOM 17668 H2 TIP3 3786 38.220 17.503 -43.497 1.00 0.00 WAT +ATOM 17669 OH2 TIP3 3787 31.996 17.054 -36.003 1.00 0.00 WAT +ATOM 17670 H1 TIP3 3787 32.613 17.013 -35.249 1.00 0.00 WAT +ATOM 17671 H2 TIP3 3787 32.497 16.660 -36.733 1.00 0.00 WAT +ATOM 17672 OH2 TIP3 3788 33.580 17.484 -40.390 1.00 0.00 WAT +ATOM 17673 H1 TIP3 3788 34.131 17.982 -41.025 1.00 0.00 WAT +ATOM 17674 H2 TIP3 3788 32.897 18.144 -40.171 1.00 0.00 WAT +ATOM 17675 OH2 TIP3 3789 43.501 20.841 -30.220 1.00 0.00 WAT +ATOM 17676 H1 TIP3 3789 43.785 20.184 -30.890 1.00 0.00 WAT +ATOM 17677 H2 TIP3 3789 42.717 20.396 -29.870 1.00 0.00 WAT +ATOM 17678 OH2 TIP3 3790 40.474 16.830 -35.534 1.00 0.00 WAT +ATOM 17679 H1 TIP3 3790 39.538 16.974 -35.319 1.00 0.00 WAT +ATOM 17680 H2 TIP3 3790 40.888 17.141 -34.710 1.00 0.00 WAT +ATOM 17681 OH2 TIP3 3791 35.088 18.298 -36.897 1.00 0.00 WAT +ATOM 17682 H1 TIP3 3791 34.266 18.575 -37.342 1.00 0.00 WAT +ATOM 17683 H2 TIP3 3791 35.363 17.512 -37.403 1.00 0.00 WAT +ATOM 17684 OH2 TIP3 3792 38.717 18.652 -39.256 1.00 0.00 WAT +ATOM 17685 H1 TIP3 3792 39.671 18.813 -39.191 1.00 0.00 WAT +ATOM 17686 H2 TIP3 3792 38.429 19.250 -39.971 1.00 0.00 WAT +ATOM 17687 OH2 TIP3 3793 37.311 19.812 -41.570 1.00 0.00 WAT +ATOM 17688 H1 TIP3 3793 36.673 19.341 -42.132 1.00 0.00 WAT +ATOM 17689 H2 TIP3 3793 38.033 20.002 -42.187 1.00 0.00 WAT +ATOM 17690 OH2 TIP3 3794 35.810 24.620 -26.475 1.00 0.00 WAT +ATOM 17691 H1 TIP3 3794 36.497 24.709 -25.781 1.00 0.00 WAT +ATOM 17692 H2 TIP3 3794 35.013 24.626 -25.912 1.00 0.00 WAT +ATOM 17693 OH2 TIP3 3795 41.372 19.171 -34.144 1.00 0.00 WAT +ATOM 17694 H1 TIP3 3795 42.191 18.933 -34.596 1.00 0.00 WAT +ATOM 17695 H2 TIP3 3795 41.640 19.129 -33.210 1.00 0.00 WAT +ATOM 17696 OH2 TIP3 3796 36.844 16.035 -37.645 1.00 0.00 WAT +ATOM 17697 H1 TIP3 3796 36.272 15.272 -37.455 1.00 0.00 WAT +ATOM 17698 H2 TIP3 3796 37.669 15.616 -37.919 1.00 0.00 WAT +ATOM 17699 OH2 TIP3 3797 40.484 17.960 -31.441 1.00 0.00 WAT +ATOM 17700 H1 TIP3 3797 39.801 18.629 -31.611 1.00 0.00 WAT +ATOM 17701 H2 TIP3 3797 41.005 18.375 -30.730 1.00 0.00 WAT +ATOM 17702 OH2 TIP3 3798 40.713 24.282 -39.530 1.00 0.00 WAT +ATOM 17703 H1 TIP3 3798 39.910 23.866 -39.899 1.00 0.00 WAT +ATOM 17704 H2 TIP3 3798 40.476 24.427 -38.584 1.00 0.00 WAT +ATOM 17705 OH2 TIP3 3799 42.058 24.326 -28.325 1.00 0.00 WAT +ATOM 17706 H1 TIP3 3799 41.834 24.236 -27.396 1.00 0.00 WAT +ATOM 17707 H2 TIP3 3799 42.135 25.286 -28.446 1.00 0.00 WAT +ATOM 17708 OH2 TIP3 3800 35.774 23.846 -33.790 1.00 0.00 WAT +ATOM 17709 H1 TIP3 3800 36.348 23.758 -34.570 1.00 0.00 WAT +ATOM 17710 H2 TIP3 3800 35.910 22.993 -33.348 1.00 0.00 WAT +ATOM 17711 OH2 TIP3 3801 42.823 25.743 -40.504 1.00 0.00 WAT +ATOM 17712 H1 TIP3 3801 42.523 26.661 -40.347 1.00 0.00 WAT +ATOM 17713 H2 TIP3 3801 42.052 25.237 -40.181 1.00 0.00 WAT +ATOM 17714 OH2 TIP3 3802 33.030 22.143 -28.506 1.00 0.00 WAT +ATOM 17715 H1 TIP3 3802 33.212 21.682 -27.663 1.00 0.00 WAT +ATOM 17716 H2 TIP3 3802 32.440 21.528 -28.972 1.00 0.00 WAT +ATOM 17717 OH2 TIP3 3803 40.018 21.638 -26.498 1.00 0.00 WAT +ATOM 17718 H1 TIP3 3803 39.666 21.343 -27.356 1.00 0.00 WAT +ATOM 17719 H2 TIP3 3803 40.959 21.397 -26.587 1.00 0.00 WAT +ATOM 17720 OH2 TIP3 3804 38.136 27.154 -36.537 1.00 0.00 WAT +ATOM 17721 H1 TIP3 3804 38.563 28.017 -36.652 1.00 0.00 WAT +ATOM 17722 H2 TIP3 3804 37.215 27.378 -36.723 1.00 0.00 WAT +ATOM 17723 OH2 TIP3 3805 34.242 22.053 -41.996 1.00 0.00 WAT +ATOM 17724 H1 TIP3 3805 34.787 22.712 -41.525 1.00 0.00 WAT +ATOM 17725 H2 TIP3 3805 33.344 22.258 -41.668 1.00 0.00 WAT +ATOM 17726 OH2 TIP3 3806 39.943 24.824 -36.924 1.00 0.00 WAT +ATOM 17727 H1 TIP3 3806 39.699 25.750 -36.766 1.00 0.00 WAT +ATOM 17728 H2 TIP3 3806 39.219 24.358 -36.479 1.00 0.00 WAT +ATOM 17729 OH2 TIP3 3807 40.198 29.133 -30.501 1.00 0.00 WAT +ATOM 17730 H1 TIP3 3807 40.778 29.834 -30.867 1.00 0.00 WAT +ATOM 17731 H2 TIP3 3807 40.846 28.605 -30.013 1.00 0.00 WAT +ATOM 17732 OH2 TIP3 3808 38.557 30.047 -37.338 1.00 0.00 WAT +ATOM 17733 H1 TIP3 3808 37.584 30.129 -37.264 1.00 0.00 WAT +ATOM 17734 H2 TIP3 3808 38.855 30.936 -37.083 1.00 0.00 WAT +ATOM 17735 OH2 TIP3 3809 34.357 16.796 -28.898 1.00 0.00 WAT +ATOM 17736 H1 TIP3 3809 33.449 17.039 -29.166 1.00 0.00 WAT +ATOM 17737 H2 TIP3 3809 34.215 15.920 -28.498 1.00 0.00 WAT +ATOM 17738 OH2 TIP3 3810 34.097 28.613 -30.605 1.00 0.00 WAT +ATOM 17739 H1 TIP3 3810 34.431 27.715 -30.468 1.00 0.00 WAT +ATOM 17740 H2 TIP3 3810 34.357 29.034 -29.776 1.00 0.00 WAT +ATOM 17741 OH2 TIP3 3811 40.125 27.122 -43.331 1.00 0.00 WAT +ATOM 17742 H1 TIP3 3811 40.766 26.408 -43.484 1.00 0.00 WAT +ATOM 17743 H2 TIP3 3811 39.720 26.850 -42.482 1.00 0.00 WAT +ATOM 17744 OH2 TIP3 3812 38.831 26.656 -40.748 1.00 0.00 WAT +ATOM 17745 H1 TIP3 3812 39.312 26.179 -40.058 1.00 0.00 WAT +ATOM 17746 H2 TIP3 3812 38.984 27.588 -40.494 1.00 0.00 WAT +ATOM 17747 OH2 TIP3 3813 35.620 24.096 -40.361 1.00 0.00 WAT +ATOM 17748 H1 TIP3 3813 34.879 24.511 -39.871 1.00 0.00 WAT +ATOM 17749 H2 TIP3 3813 36.102 24.886 -40.653 1.00 0.00 WAT +ATOM 17750 OH2 TIP3 3814 43.385 17.065 -29.823 1.00 0.00 WAT +ATOM 17751 H1 TIP3 3814 43.815 16.282 -29.478 1.00 0.00 WAT +ATOM 17752 H2 TIP3 3814 42.736 16.686 -30.435 1.00 0.00 WAT +ATOM 17753 OH2 TIP3 3815 41.623 28.296 -40.277 1.00 0.00 WAT +ATOM 17754 H1 TIP3 3815 40.857 28.813 -39.986 1.00 0.00 WAT +ATOM 17755 H2 TIP3 3815 42.158 29.010 -40.669 1.00 0.00 WAT +ATOM 17756 OH2 TIP3 3816 41.394 17.913 -38.163 1.00 0.00 WAT +ATOM 17757 H1 TIP3 3816 41.983 18.652 -37.881 1.00 0.00 WAT +ATOM 17758 H2 TIP3 3816 41.004 17.725 -37.292 1.00 0.00 WAT +ATOM 17759 OH2 TIP3 3817 41.630 18.916 -28.953 1.00 0.00 WAT +ATOM 17760 H1 TIP3 3817 41.829 19.451 -28.174 1.00 0.00 WAT +ATOM 17761 H2 TIP3 3817 42.362 18.269 -28.976 1.00 0.00 WAT +ATOM 17762 OH2 TIP3 3818 41.944 15.020 -36.977 1.00 0.00 WAT +ATOM 17763 H1 TIP3 3818 41.644 15.798 -36.448 1.00 0.00 WAT +ATOM 17764 H2 TIP3 3818 42.717 15.388 -37.442 1.00 0.00 WAT +ATOM 17765 OH2 TIP3 3819 38.880 29.469 -40.257 1.00 0.00 WAT +ATOM 17766 H1 TIP3 3819 38.991 30.322 -40.723 1.00 0.00 WAT +ATOM 17767 H2 TIP3 3819 38.736 29.757 -39.336 1.00 0.00 WAT +ATOM 17768 OH2 TIP3 3820 37.700 16.164 -40.808 1.00 0.00 WAT +ATOM 17769 H1 TIP3 3820 37.611 16.879 -40.155 1.00 0.00 WAT +ATOM 17770 H2 TIP3 3820 38.439 15.652 -40.445 1.00 0.00 WAT +ATOM 17771 OH2 TIP3 3821 36.042 27.022 -41.566 1.00 0.00 WAT +ATOM 17772 H1 TIP3 3821 36.823 27.384 -41.117 1.00 0.00 WAT +ATOM 17773 H2 TIP3 3821 36.458 26.536 -42.291 1.00 0.00 WAT +ATOM 17774 OH2 TIP3 3822 34.328 19.227 -42.573 1.00 0.00 WAT +ATOM 17775 H1 TIP3 3822 34.452 20.180 -42.396 1.00 0.00 WAT +ATOM 17776 H2 TIP3 3822 33.413 19.214 -42.908 1.00 0.00 WAT +ATOM 17777 OH2 TIP3 3823 35.174 14.181 -33.710 1.00 0.00 WAT +ATOM 17778 H1 TIP3 3823 34.977 14.162 -34.668 1.00 0.00 WAT +ATOM 17779 H2 TIP3 3823 34.825 13.324 -33.401 1.00 0.00 WAT +ATOM 17780 OH2 TIP3 3824 33.956 27.648 -37.561 1.00 0.00 WAT +ATOM 17781 H1 TIP3 3824 33.337 28.258 -37.140 1.00 0.00 WAT +ATOM 17782 H2 TIP3 3824 34.610 28.259 -37.930 1.00 0.00 WAT +ATOM 17783 OH2 TIP3 3825 33.454 30.595 -26.283 1.00 0.00 WAT +ATOM 17784 H1 TIP3 3825 34.035 30.310 -25.552 1.00 0.00 WAT +ATOM 17785 H2 TIP3 3825 33.067 29.744 -26.570 1.00 0.00 WAT +ATOM 17786 OH2 TIP3 3826 38.142 29.656 -24.509 1.00 0.00 WAT +ATOM 17787 H1 TIP3 3826 38.816 28.993 -24.290 1.00 0.00 WAT +ATOM 17788 H2 TIP3 3826 37.900 29.380 -25.410 1.00 0.00 WAT +ATOM 17789 OH2 TIP3 3827 42.236 29.001 -43.379 1.00 0.00 WAT +ATOM 17790 H1 TIP3 3827 41.503 28.366 -43.287 1.00 0.00 WAT +ATOM 17791 H2 TIP3 3827 42.966 28.421 -43.631 1.00 0.00 WAT +ATOM 17792 OH2 TIP3 3828 33.393 24.196 -25.151 1.00 0.00 WAT +ATOM 17793 H1 TIP3 3828 33.507 23.309 -25.529 1.00 0.00 WAT +ATOM 17794 H2 TIP3 3828 32.644 24.526 -25.685 1.00 0.00 WAT +ATOM 17795 OH2 TIP3 3829 37.654 24.602 -43.150 1.00 0.00 WAT +ATOM 17796 H1 TIP3 3829 37.920 24.142 -42.340 1.00 0.00 WAT +ATOM 17797 H2 TIP3 3829 38.478 24.673 -43.657 1.00 0.00 WAT +ATOM 17798 OH2 TIP3 3830 40.073 24.426 -25.841 1.00 0.00 WAT +ATOM 17799 H1 TIP3 3830 39.786 24.756 -26.710 1.00 0.00 WAT +ATOM 17800 H2 TIP3 3830 40.147 23.460 -25.988 1.00 0.00 WAT +ATOM 17801 OH2 TIP3 3831 42.716 25.762 -43.504 1.00 0.00 WAT +ATOM 17802 H1 TIP3 3831 43.234 26.130 -42.755 1.00 0.00 WAT +ATOM 17803 H2 TIP3 3831 43.331 25.092 -43.826 1.00 0.00 WAT +ATOM 17804 OH2 TIP3 3832 34.261 21.334 -25.993 1.00 0.00 WAT +ATOM 17805 H1 TIP3 3832 35.015 20.718 -25.996 1.00 0.00 WAT +ATOM 17806 H2 TIP3 3832 34.231 21.573 -25.053 1.00 0.00 WAT +ATOM 17807 OH2 TIP3 3833 38.663 22.725 -40.931 1.00 0.00 WAT +ATOM 17808 H1 TIP3 3833 38.060 22.283 -40.313 1.00 0.00 WAT +ATOM 17809 H2 TIP3 3833 39.005 21.970 -41.438 1.00 0.00 WAT +ATOM 17810 OH2 TIP3 3834 37.952 20.518 -28.541 1.00 0.00 WAT +ATOM 17811 H1 TIP3 3834 37.391 21.297 -28.367 1.00 0.00 WAT +ATOM 17812 H2 TIP3 3834 38.529 20.845 -29.250 1.00 0.00 WAT +ATOM 17813 OH2 TIP3 3835 39.999 20.629 -42.689 1.00 0.00 WAT +ATOM 17814 H1 TIP3 3835 39.793 20.758 -43.626 1.00 0.00 WAT +ATOM 17815 H2 TIP3 3835 40.904 20.970 -42.597 1.00 0.00 WAT +ATOM 17816 OH2 TIP3 3836 42.830 22.979 -24.844 1.00 0.00 WAT +ATOM 17817 H1 TIP3 3836 43.532 22.674 -25.426 1.00 0.00 WAT +ATOM 17818 H2 TIP3 3836 42.667 22.169 -24.331 1.00 0.00 WAT +ATOM 17819 OH2 TIP3 3837 38.561 17.797 -27.404 1.00 0.00 WAT +ATOM 17820 H1 TIP3 3837 38.622 17.138 -28.119 1.00 0.00 WAT +ATOM 17821 H2 TIP3 3837 38.383 18.611 -27.906 1.00 0.00 WAT +ATOM 17822 OH2 TIP3 3838 38.865 16.229 -29.979 1.00 0.00 WAT +ATOM 17823 H1 TIP3 3838 39.367 16.810 -30.591 1.00 0.00 WAT +ATOM 17824 H2 TIP3 3838 37.952 16.277 -30.330 1.00 0.00 WAT +ATOM 17825 OH2 TIP3 3839 40.660 21.629 -29.663 1.00 0.00 WAT +ATOM 17826 H1 TIP3 3839 41.356 21.634 -30.331 1.00 0.00 WAT +ATOM 17827 H2 TIP3 3839 40.290 22.520 -29.783 1.00 0.00 WAT +ATOM 17828 OH2 TIP3 3840 36.730 19.609 -25.613 1.00 0.00 WAT +ATOM 17829 H1 TIP3 3840 36.203 18.789 -25.637 1.00 0.00 WAT +ATOM 17830 H2 TIP3 3840 37.540 19.332 -26.070 1.00 0.00 WAT +ATOM 17831 OH2 TIP3 3841 39.718 13.617 -29.617 1.00 0.00 WAT +ATOM 17832 H1 TIP3 3841 39.479 14.553 -29.791 1.00 0.00 WAT +ATOM 17833 H2 TIP3 3841 39.052 13.153 -30.158 1.00 0.00 WAT +ATOM 17834 OH2 TIP3 3842 41.027 18.068 -25.855 1.00 0.00 WAT +ATOM 17835 H1 TIP3 3842 40.620 17.817 -25.011 1.00 0.00 WAT +ATOM 17836 H2 TIP3 3842 40.296 17.848 -26.464 1.00 0.00 WAT +ATOM 17837 OH2 TIP3 3843 35.382 17.089 -25.794 1.00 0.00 WAT +ATOM 17838 H1 TIP3 3843 35.319 16.376 -26.451 1.00 0.00 WAT +ATOM 17839 H2 TIP3 3843 35.181 16.608 -24.968 1.00 0.00 WAT +ATOM 17840 OH2 TIP3 3844 39.449 13.090 -26.786 1.00 0.00 WAT +ATOM 17841 H1 TIP3 3844 40.030 12.318 -26.734 1.00 0.00 WAT +ATOM 17842 H2 TIP3 3844 39.420 13.240 -27.750 1.00 0.00 WAT +ATOM 17843 OH2 TIP3 3845 40.363 14.893 -24.856 1.00 0.00 WAT +ATOM 17844 H1 TIP3 3845 40.065 14.334 -25.603 1.00 0.00 WAT +ATOM 17845 H2 TIP3 3845 39.718 15.617 -24.870 1.00 0.00 WAT +ATOM 17846 OH2 TIP3 3846 39.601 31.928 -41.754 1.00 0.00 WAT +ATOM 17847 H1 TIP3 3846 40.533 32.122 -41.591 1.00 0.00 WAT +ATOM 17848 H2 TIP3 3846 39.352 32.606 -42.400 1.00 0.00 WAT +ATOM 17849 OH2 TIP3 3847 33.314 26.050 -42.001 1.00 0.00 WAT +ATOM 17850 H1 TIP3 3847 34.219 26.410 -41.944 1.00 0.00 WAT +ATOM 17851 H2 TIP3 3847 33.361 25.480 -42.779 1.00 0.00 WAT +ATOM 17852 OH2 TIP3 3848 32.507 31.359 -37.525 1.00 0.00 WAT +ATOM 17853 H1 TIP3 3848 31.584 31.120 -37.710 1.00 0.00 WAT +ATOM 17854 H2 TIP3 3848 32.629 31.050 -36.612 1.00 0.00 WAT +ATOM 17855 OH2 TIP3 3849 32.753 29.585 -35.169 1.00 0.00 WAT +ATOM 17856 H1 TIP3 3849 32.512 28.742 -34.750 1.00 0.00 WAT +ATOM 17857 H2 TIP3 3849 33.054 30.081 -34.393 1.00 0.00 WAT +ATOM 17858 OH2 TIP3 3850 32.801 22.909 -32.796 1.00 0.00 WAT +ATOM 17859 H1 TIP3 3850 33.050 22.987 -33.732 1.00 0.00 WAT +ATOM 17860 H2 TIP3 3850 33.675 22.712 -32.398 1.00 0.00 WAT +ATOM 17861 OH2 TIP3 3851 32.726 18.279 -26.376 1.00 0.00 WAT +ATOM 17862 H1 TIP3 3851 33.661 18.009 -26.366 1.00 0.00 WAT +ATOM 17863 H2 TIP3 3851 32.279 17.414 -26.332 1.00 0.00 WAT +ATOM 17864 OH2 TIP3 3852 33.488 16.614 -33.597 1.00 0.00 WAT +ATOM 17865 H1 TIP3 3852 33.945 15.759 -33.511 1.00 0.00 WAT +ATOM 17866 H2 TIP3 3852 34.168 17.220 -33.248 1.00 0.00 WAT +ATOM 17867 OH2 TIP3 3853 32.035 19.289 -32.544 1.00 0.00 WAT +ATOM 17868 H1 TIP3 3853 32.606 19.252 -33.328 1.00 0.00 WAT +ATOM 17869 H2 TIP3 3853 32.397 20.063 -32.094 1.00 0.00 WAT +ATOM 17870 OH2 TIP3 3854 32.523 15.640 -38.517 1.00 0.00 WAT +ATOM 17871 H1 TIP3 3854 31.569 15.653 -38.710 1.00 0.00 WAT +ATOM 17872 H2 TIP3 3854 32.893 16.234 -39.199 1.00 0.00 WAT +ATOM 17873 OH2 TIP3 3855 32.571 14.529 -30.333 1.00 0.00 WAT +ATOM 17874 H1 TIP3 3855 31.861 14.231 -29.750 1.00 0.00 WAT +ATOM 17875 H2 TIP3 3855 32.068 15.028 -31.003 1.00 0.00 WAT +ATOM 17876 OH2 TIP3 3856 34.556 27.572 -25.666 1.00 0.00 WAT +ATOM 17877 H1 TIP3 3856 33.828 27.592 -26.306 1.00 0.00 WAT +ATOM 17878 H2 TIP3 3856 34.091 27.572 -24.819 1.00 0.00 WAT +ATOM 17879 OH2 TIP3 3857 37.411 28.593 -29.988 1.00 0.00 WAT +ATOM 17880 H1 TIP3 3857 37.097 29.444 -30.333 1.00 0.00 WAT +ATOM 17881 H2 TIP3 3857 38.369 28.689 -30.162 1.00 0.00 WAT +ATOM 17882 OH2 TIP3 3858 42.194 30.228 -27.095 1.00 0.00 WAT +ATOM 17883 H1 TIP3 3858 42.048 29.851 -26.213 1.00 0.00 WAT +ATOM 17884 H2 TIP3 3858 43.145 30.432 -27.036 1.00 0.00 WAT +ATOM 17885 OH2 TIP3 3859 34.801 31.541 -29.610 1.00 0.00 WAT +ATOM 17886 H1 TIP3 3859 34.225 32.131 -30.128 1.00 0.00 WAT +ATOM 17887 H2 TIP3 3859 34.376 31.596 -28.747 1.00 0.00 WAT +ATOM 17888 OH2 TIP3 3860 37.377 31.393 -31.028 1.00 0.00 WAT +ATOM 17889 H1 TIP3 3860 36.487 31.515 -30.646 1.00 0.00 WAT +ATOM 17890 H2 TIP3 3860 37.306 31.899 -31.861 1.00 0.00 WAT +ATOM 17891 OH2 TIP3 3861 41.961 31.079 -31.561 1.00 0.00 WAT +ATOM 17892 H1 TIP3 3861 41.716 31.596 -32.344 1.00 0.00 WAT +ATOM 17893 H2 TIP3 3861 42.530 31.681 -31.074 1.00 0.00 WAT +ATOM 17894 OH2 TIP3 3862 34.373 30.697 -32.720 1.00 0.00 WAT +ATOM 17895 H1 TIP3 3862 34.433 30.073 -31.978 1.00 0.00 WAT +ATOM 17896 H2 TIP3 3862 35.094 30.396 -33.303 1.00 0.00 WAT +ATOM 17897 OH2 TIP3 3863 36.313 29.132 -34.231 1.00 0.00 WAT +ATOM 17898 H1 TIP3 3863 36.157 28.194 -34.005 1.00 0.00 WAT +ATOM 17899 H2 TIP3 3863 37.241 29.257 -33.969 1.00 0.00 WAT +ATOM 17900 OH2 TIP3 3864 39.135 29.603 -33.396 1.00 0.00 WAT +ATOM 17901 H1 TIP3 3864 39.326 28.682 -33.642 1.00 0.00 WAT +ATOM 17902 H2 TIP3 3864 39.196 29.550 -32.430 1.00 0.00 WAT +ATOM 17903 OH2 TIP3 3865 42.699 15.056 -34.038 1.00 0.00 WAT +ATOM 17904 H1 TIP3 3865 41.820 14.650 -33.936 1.00 0.00 WAT +ATOM 17905 H2 TIP3 3865 42.942 14.758 -34.919 1.00 0.00 WAT +ATOM 17906 OH2 TIP3 3866 34.827 14.165 -36.544 1.00 0.00 WAT +ATOM 17907 H1 TIP3 3866 33.955 14.042 -36.970 1.00 0.00 WAT +ATOM 17908 H2 TIP3 3866 35.226 13.287 -36.679 1.00 0.00 WAT +ATOM 17909 OH2 TIP3 3867 33.603 13.716 -40.816 1.00 0.00 WAT +ATOM 17910 H1 TIP3 3867 34.183 14.372 -41.265 1.00 0.00 WAT +ATOM 17911 H2 TIP3 3867 33.251 14.243 -40.080 1.00 0.00 WAT +ATOM 17912 OH2 TIP3 3868 39.328 13.972 -36.650 1.00 0.00 WAT +ATOM 17913 H1 TIP3 3868 40.246 14.294 -36.716 1.00 0.00 WAT +ATOM 17914 H2 TIP3 3868 39.245 13.895 -35.691 1.00 0.00 WAT +ATOM 17915 OH2 TIP3 3869 33.744 29.661 -39.827 1.00 0.00 WAT +ATOM 17916 H1 TIP3 3869 32.928 29.671 -40.348 1.00 0.00 WAT +ATOM 17917 H2 TIP3 3869 33.624 30.433 -39.259 1.00 0.00 WAT +ATOM 17918 OH2 TIP3 3870 35.271 15.427 -42.314 1.00 0.00 WAT +ATOM 17919 H1 TIP3 3870 35.845 14.845 -42.829 1.00 0.00 WAT +ATOM 17920 H2 TIP3 3870 35.923 15.946 -41.812 1.00 0.00 WAT +ATOM 17921 OH2 TIP3 3871 40.620 15.608 -39.653 1.00 0.00 WAT +ATOM 17922 H1 TIP3 3871 40.671 15.056 -38.858 1.00 0.00 WAT +ATOM 17923 H2 TIP3 3871 40.592 16.499 -39.260 1.00 0.00 WAT +ATOM 17924 OH2 TIP3 3872 42.614 30.680 -41.234 1.00 0.00 WAT +ATOM 17925 H1 TIP3 3872 43.171 31.458 -41.493 1.00 0.00 WAT +ATOM 17926 H2 TIP3 3872 42.437 30.313 -42.130 1.00 0.00 WAT +ATOM 17927 OH2 TIP3 3873 34.603 14.394 -26.991 1.00 0.00 WAT +ATOM 17928 H1 TIP3 3873 34.200 13.574 -26.651 1.00 0.00 WAT +ATOM 17929 H2 TIP3 3873 35.529 14.258 -26.734 1.00 0.00 WAT +ATOM 17930 OH2 TIP3 3874 36.984 13.774 -25.273 1.00 0.00 WAT +ATOM 17931 H1 TIP3 3874 37.811 13.418 -25.655 1.00 0.00 WAT +ATOM 17932 H2 TIP3 3874 36.632 12.981 -24.835 1.00 0.00 WAT +ATOM 17933 OH2 TIP3 3875 35.666 30.680 -42.311 1.00 0.00 WAT +ATOM 17934 H1 TIP3 3875 35.254 30.897 -41.464 1.00 0.00 WAT +ATOM 17935 H2 TIP3 3875 36.342 30.043 -42.060 1.00 0.00 WAT +ATOM 17936 OH2 TIP3 3876 -31.581 42.030 -36.463 1.00 0.00 WAT +ATOM 17937 H1 TIP3 3876 -31.883 42.947 -36.447 1.00 0.00 WAT +ATOM 17938 H2 TIP3 3876 -32.314 41.604 -36.931 1.00 0.00 WAT +ATOM 17939 OH2 TIP3 3877 -32.813 41.327 -33.169 1.00 0.00 WAT +ATOM 17940 H1 TIP3 3877 -32.753 40.796 -32.358 1.00 0.00 WAT +ATOM 17941 H2 TIP3 3877 -33.029 40.669 -33.838 1.00 0.00 WAT +ATOM 17942 OH2 TIP3 3878 -40.225 40.767 -31.611 1.00 0.00 WAT +ATOM 17943 H1 TIP3 3878 -40.352 40.075 -30.940 1.00 0.00 WAT +ATOM 17944 H2 TIP3 3878 -39.646 41.376 -31.137 1.00 0.00 WAT +ATOM 17945 OH2 TIP3 3879 -42.003 39.305 -38.472 1.00 0.00 WAT +ATOM 17946 H1 TIP3 3879 -42.439 40.097 -38.128 1.00 0.00 WAT +ATOM 17947 H2 TIP3 3879 -42.685 38.882 -39.013 1.00 0.00 WAT +ATOM 17948 OH2 TIP3 3880 -41.994 41.229 -35.954 1.00 0.00 WAT +ATOM 17949 H1 TIP3 3880 -41.920 40.522 -35.293 1.00 0.00 WAT +ATOM 17950 H2 TIP3 3880 -41.064 41.393 -36.134 1.00 0.00 WAT +ATOM 17951 OH2 TIP3 3881 -25.602 35.228 -31.993 1.00 0.00 WAT +ATOM 17952 H1 TIP3 3881 -25.349 35.841 -31.282 1.00 0.00 WAT +ATOM 17953 H2 TIP3 3881 -24.984 35.506 -32.696 1.00 0.00 WAT +ATOM 17954 OH2 TIP3 3882 -30.961 38.040 -32.118 1.00 0.00 WAT +ATOM 17955 H1 TIP3 3882 -30.815 37.080 -32.068 1.00 0.00 WAT +ATOM 17956 H2 TIP3 3882 -31.051 38.170 -33.073 1.00 0.00 WAT +ATOM 17957 OH2 TIP3 3883 -38.001 36.049 -35.052 1.00 0.00 WAT +ATOM 17958 H1 TIP3 3883 -37.855 36.901 -35.509 1.00 0.00 WAT +ATOM 17959 H2 TIP3 3883 -38.335 35.513 -35.800 1.00 0.00 WAT +ATOM 17960 OH2 TIP3 3884 -30.158 36.211 -36.744 1.00 0.00 WAT +ATOM 17961 H1 TIP3 3884 -29.583 35.776 -36.078 1.00 0.00 WAT +ATOM 17962 H2 TIP3 3884 -29.493 36.650 -37.294 1.00 0.00 WAT +ATOM 17963 OH2 TIP3 3885 -41.405 38.767 -34.519 1.00 0.00 WAT +ATOM 17964 H1 TIP3 3885 -40.768 38.395 -33.887 1.00 0.00 WAT +ATOM 17965 H2 TIP3 3885 -41.195 38.249 -35.316 1.00 0.00 WAT +ATOM 17966 OH2 TIP3 3886 -35.894 40.175 -35.064 1.00 0.00 WAT +ATOM 17967 H1 TIP3 3886 -35.215 39.591 -34.665 1.00 0.00 WAT +ATOM 17968 H2 TIP3 3886 -36.442 39.526 -35.544 1.00 0.00 WAT +ATOM 17969 OH2 TIP3 3887 -24.876 36.593 -29.511 1.00 0.00 WAT +ATOM 17970 H1 TIP3 3887 -25.456 37.320 -29.801 1.00 0.00 WAT +ATOM 17971 H2 TIP3 3887 -25.065 36.582 -28.563 1.00 0.00 WAT +ATOM 17972 OH2 TIP3 3888 -39.185 34.867 -30.875 1.00 0.00 WAT +ATOM 17973 H1 TIP3 3888 -39.633 35.309 -31.610 1.00 0.00 WAT +ATOM 17974 H2 TIP3 3888 -39.812 35.042 -30.145 1.00 0.00 WAT +ATOM 17975 OH2 TIP3 3889 -36.482 42.681 -31.088 1.00 0.00 WAT +ATOM 17976 H1 TIP3 3889 -37.284 43.226 -31.077 1.00 0.00 WAT +ATOM 17977 H2 TIP3 3889 -35.811 43.371 -31.188 1.00 0.00 WAT +ATOM 17978 OH2 TIP3 3890 -28.322 35.467 -34.699 1.00 0.00 WAT +ATOM 17979 H1 TIP3 3890 -28.709 34.877 -34.041 1.00 0.00 WAT +ATOM 17980 H2 TIP3 3890 -27.795 36.067 -34.141 1.00 0.00 WAT +ATOM 17981 OH2 TIP3 3891 -39.584 36.922 -32.971 1.00 0.00 WAT +ATOM 17982 H1 TIP3 3891 -38.936 37.488 -32.502 1.00 0.00 WAT +ATOM 17983 H2 TIP3 3891 -39.009 36.546 -33.674 1.00 0.00 WAT +ATOM 17984 OH2 TIP3 3892 -28.183 34.604 -30.853 1.00 0.00 WAT +ATOM 17985 H1 TIP3 3892 -28.949 35.006 -31.303 1.00 0.00 WAT +ATOM 17986 H2 TIP3 3892 -27.453 34.810 -31.468 1.00 0.00 WAT +ATOM 17987 OH2 TIP3 3893 -35.053 32.331 -33.800 1.00 0.00 WAT +ATOM 17988 H1 TIP3 3893 -35.282 31.385 -33.853 1.00 0.00 WAT +ATOM 17989 H2 TIP3 3893 -35.876 32.713 -33.428 1.00 0.00 WAT +ATOM 17990 OH2 TIP3 3894 -33.031 41.408 -39.088 1.00 0.00 WAT +ATOM 17991 H1 TIP3 3894 -33.683 41.809 -39.680 1.00 0.00 WAT +ATOM 17992 H2 TIP3 3894 -32.262 41.348 -39.678 1.00 0.00 WAT +ATOM 17993 OH2 TIP3 3895 -32.723 39.492 -42.013 1.00 0.00 WAT +ATOM 17994 H1 TIP3 3895 -32.003 39.809 -41.444 1.00 0.00 WAT +ATOM 17995 H2 TIP3 3895 -32.221 38.890 -42.605 1.00 0.00 WAT +ATOM 17996 OH2 TIP3 3896 -25.558 40.549 -30.812 1.00 0.00 WAT +ATOM 17997 H1 TIP3 3896 -26.201 41.278 -30.674 1.00 0.00 WAT +ATOM 17998 H2 TIP3 3896 -25.041 40.940 -31.546 1.00 0.00 WAT +ATOM 17999 OH2 TIP3 3897 -29.366 41.402 -38.074 1.00 0.00 WAT +ATOM 18000 H1 TIP3 3897 -30.021 41.613 -37.380 1.00 0.00 WAT +ATOM 18001 H2 TIP3 3897 -28.704 40.891 -37.571 1.00 0.00 WAT +ATOM 18002 OH2 TIP3 3898 -29.633 39.802 -29.121 1.00 0.00 WAT +ATOM 18003 H1 TIP3 3898 -29.591 40.567 -28.525 1.00 0.00 WAT +ATOM 18004 H2 TIP3 3898 -30.182 40.183 -29.830 1.00 0.00 WAT +ATOM 18005 OH2 TIP3 3899 -37.741 42.159 -36.137 1.00 0.00 WAT +ATOM 18006 H1 TIP3 3899 -38.016 41.816 -37.006 1.00 0.00 WAT +ATOM 18007 H2 TIP3 3899 -37.039 41.534 -35.889 1.00 0.00 WAT +ATOM 18008 OH2 TIP3 3900 -37.322 40.759 -32.754 1.00 0.00 WAT +ATOM 18009 H1 TIP3 3900 -36.700 40.765 -33.507 1.00 0.00 WAT +ATOM 18010 H2 TIP3 3900 -36.958 41.453 -32.165 1.00 0.00 WAT +ATOM 18011 OH2 TIP3 3901 -30.393 40.783 -40.556 1.00 0.00 WAT +ATOM 18012 H1 TIP3 3901 -29.880 41.017 -39.750 1.00 0.00 WAT +ATOM 18013 H2 TIP3 3901 -29.777 41.089 -41.260 1.00 0.00 WAT +ATOM 18014 OH2 TIP3 3902 -39.571 41.437 -28.742 1.00 0.00 WAT +ATOM 18015 H1 TIP3 3902 -39.489 42.018 -27.951 1.00 0.00 WAT +ATOM 18016 H2 TIP3 3902 -40.465 41.692 -29.035 1.00 0.00 WAT +ATOM 18017 OH2 TIP3 3903 -26.933 32.373 -40.754 1.00 0.00 WAT +ATOM 18018 H1 TIP3 3903 -27.885 32.480 -40.567 1.00 0.00 WAT +ATOM 18019 H2 TIP3 3903 -26.692 33.273 -41.021 1.00 0.00 WAT +ATOM 18020 OH2 TIP3 3904 -38.961 40.843 -38.612 1.00 0.00 WAT +ATOM 18021 H1 TIP3 3904 -39.159 41.631 -39.162 1.00 0.00 WAT +ATOM 18022 H2 TIP3 3904 -39.664 40.234 -38.885 1.00 0.00 WAT +ATOM 18023 OH2 TIP3 3905 -42.012 42.739 -29.969 1.00 0.00 WAT +ATOM 18024 H1 TIP3 3905 -42.558 43.166 -30.643 1.00 0.00 WAT +ATOM 18025 H2 TIP3 3905 -42.653 42.431 -29.305 1.00 0.00 WAT +ATOM 18026 OH2 TIP3 3906 -27.651 38.370 -26.780 1.00 0.00 WAT +ATOM 18027 H1 TIP3 3906 -28.136 38.753 -27.523 1.00 0.00 WAT +ATOM 18028 H2 TIP3 3906 -27.587 37.435 -27.055 1.00 0.00 WAT +ATOM 18029 OH2 TIP3 3907 -37.485 33.474 -32.886 1.00 0.00 WAT +ATOM 18030 H1 TIP3 3907 -38.307 33.398 -33.403 1.00 0.00 WAT +ATOM 18031 H2 TIP3 3907 -37.714 34.217 -32.306 1.00 0.00 WAT +ATOM 18032 OH2 TIP3 3908 -33.110 33.062 -29.242 1.00 0.00 WAT +ATOM 18033 H1 TIP3 3908 -32.581 32.537 -28.609 1.00 0.00 WAT +ATOM 18034 H2 TIP3 3908 -34.013 32.716 -29.115 1.00 0.00 WAT +ATOM 18035 OH2 TIP3 3909 -29.947 36.849 -28.734 1.00 0.00 WAT +ATOM 18036 H1 TIP3 3909 -30.546 36.705 -27.978 1.00 0.00 WAT +ATOM 18037 H2 TIP3 3909 -30.014 37.807 -28.895 1.00 0.00 WAT +ATOM 18038 OH2 TIP3 3910 -28.413 41.460 -42.512 1.00 0.00 WAT +ATOM 18039 H1 TIP3 3910 -28.579 41.537 -43.460 1.00 0.00 WAT +ATOM 18040 H2 TIP3 3910 -27.936 42.295 -42.332 1.00 0.00 WAT +ATOM 18041 OH2 TIP3 3911 -33.266 35.440 -42.154 1.00 0.00 WAT +ATOM 18042 H1 TIP3 3911 -33.847 35.501 -41.385 1.00 0.00 WAT +ATOM 18043 H2 TIP3 3911 -33.733 34.777 -42.678 1.00 0.00 WAT +ATOM 18044 OH2 TIP3 3912 -37.613 38.269 -31.473 1.00 0.00 WAT +ATOM 18045 H1 TIP3 3912 -38.213 38.395 -30.720 1.00 0.00 WAT +ATOM 18046 H2 TIP3 3912 -37.554 39.175 -31.848 1.00 0.00 WAT +ATOM 18047 OH2 TIP3 3913 -37.695 38.324 -36.610 1.00 0.00 WAT +ATOM 18048 H1 TIP3 3913 -38.650 38.305 -36.796 1.00 0.00 WAT +ATOM 18049 H2 TIP3 3913 -37.338 38.167 -37.508 1.00 0.00 WAT +ATOM 18050 OH2 TIP3 3914 -31.978 38.964 -37.842 1.00 0.00 WAT +ATOM 18051 H1 TIP3 3914 -32.447 39.722 -38.234 1.00 0.00 WAT +ATOM 18052 H2 TIP3 3914 -31.354 38.723 -38.552 1.00 0.00 WAT +ATOM 18053 OH2 TIP3 3915 -32.876 39.208 -26.389 1.00 0.00 WAT +ATOM 18054 H1 TIP3 3915 -33.367 38.427 -26.068 1.00 0.00 WAT +ATOM 18055 H2 TIP3 3915 -31.985 39.052 -26.022 1.00 0.00 WAT +ATOM 18056 OH2 TIP3 3916 -31.233 38.293 -35.067 1.00 0.00 WAT +ATOM 18057 H1 TIP3 3916 -31.474 38.844 -35.837 1.00 0.00 WAT +ATOM 18058 H2 TIP3 3916 -30.985 37.472 -35.540 1.00 0.00 WAT +ATOM 18059 OH2 TIP3 3917 -40.281 38.427 -29.642 1.00 0.00 WAT +ATOM 18060 H1 TIP3 3917 -39.962 38.838 -28.830 1.00 0.00 WAT +ATOM 18061 H2 TIP3 3917 -40.496 37.526 -29.346 1.00 0.00 WAT +ATOM 18062 OH2 TIP3 3918 -36.488 35.863 -43.025 1.00 0.00 WAT +ATOM 18063 H1 TIP3 3918 -36.965 35.520 -42.254 1.00 0.00 WAT +ATOM 18064 H2 TIP3 3918 -37.210 36.350 -43.480 1.00 0.00 WAT +ATOM 18065 OH2 TIP3 3919 -43.352 35.986 -36.063 1.00 0.00 WAT +ATOM 18066 H1 TIP3 3919 -43.079 35.772 -35.154 1.00 0.00 WAT +ATOM 18067 H2 TIP3 3919 -42.790 35.414 -36.602 1.00 0.00 WAT +ATOM 18068 OH2 TIP3 3920 -42.091 36.829 -40.198 1.00 0.00 WAT +ATOM 18069 H1 TIP3 3920 -41.508 36.614 -40.937 1.00 0.00 WAT +ATOM 18070 H2 TIP3 3920 -42.970 36.706 -40.574 1.00 0.00 WAT +ATOM 18071 OH2 TIP3 3921 -32.256 39.966 -30.622 1.00 0.00 WAT +ATOM 18072 H1 TIP3 3921 -31.708 39.303 -31.099 1.00 0.00 WAT +ATOM 18073 H2 TIP3 3921 -32.506 39.462 -29.834 1.00 0.00 WAT +ATOM 18074 OH2 TIP3 3922 -34.897 35.938 -35.573 1.00 0.00 WAT +ATOM 18075 H1 TIP3 3922 -35.840 35.898 -35.344 1.00 0.00 WAT +ATOM 18076 H2 TIP3 3922 -34.481 35.749 -34.714 1.00 0.00 WAT +ATOM 18077 OH2 TIP3 3923 -40.465 37.151 -36.914 1.00 0.00 WAT +ATOM 18078 H1 TIP3 3923 -41.111 37.394 -37.597 1.00 0.00 WAT +ATOM 18079 H2 TIP3 3923 -40.045 36.363 -37.304 1.00 0.00 WAT +ATOM 18080 OH2 TIP3 3924 -36.732 37.547 -39.228 1.00 0.00 WAT +ATOM 18081 H1 TIP3 3924 -35.762 37.609 -39.176 1.00 0.00 WAT +ATOM 18082 H2 TIP3 3924 -36.965 38.130 -39.972 1.00 0.00 WAT +ATOM 18083 OH2 TIP3 3925 -30.522 35.073 -32.547 1.00 0.00 WAT +ATOM 18084 H1 TIP3 3925 -31.165 35.084 -31.805 1.00 0.00 WAT +ATOM 18085 H2 TIP3 3925 -31.097 34.741 -33.258 1.00 0.00 WAT +ATOM 18086 OH2 TIP3 3926 -38.153 38.702 -41.602 1.00 0.00 WAT +ATOM 18087 H1 TIP3 3926 -38.702 38.149 -42.185 1.00 0.00 WAT +ATOM 18088 H2 TIP3 3926 -37.387 38.873 -42.169 1.00 0.00 WAT +ATOM 18089 OH2 TIP3 3927 -39.563 43.055 -26.590 1.00 0.00 WAT +ATOM 18090 H1 TIP3 3927 -38.886 43.545 -26.084 1.00 0.00 WAT +ATOM 18091 H2 TIP3 3927 -40.346 43.212 -26.025 1.00 0.00 WAT +ATOM 18092 OH2 TIP3 3928 -33.905 38.488 -33.756 1.00 0.00 WAT +ATOM 18093 H1 TIP3 3928 -33.143 38.082 -34.198 1.00 0.00 WAT +ATOM 18094 H2 TIP3 3928 -34.034 37.892 -32.992 1.00 0.00 WAT +ATOM 18095 OH2 TIP3 3929 -38.696 34.849 -37.500 1.00 0.00 WAT +ATOM 18096 H1 TIP3 3929 -39.154 33.999 -37.507 1.00 0.00 WAT +ATOM 18097 H2 TIP3 3929 -37.906 34.649 -38.024 1.00 0.00 WAT +ATOM 18098 OH2 TIP3 3930 -34.923 36.933 -31.507 1.00 0.00 WAT +ATOM 18099 H1 TIP3 3930 -35.690 37.528 -31.491 1.00 0.00 WAT +ATOM 18100 H2 TIP3 3930 -34.417 37.200 -30.715 1.00 0.00 WAT +ATOM 18101 OH2 TIP3 3931 -35.135 43.623 -39.410 1.00 0.00 WAT +ATOM 18102 H1 TIP3 3931 -35.603 42.952 -39.945 1.00 0.00 WAT +ATOM 18103 H2 TIP3 3931 -34.730 43.124 -38.697 1.00 0.00 WAT +ATOM 18104 OH2 TIP3 3932 -27.316 42.662 -30.928 1.00 0.00 WAT +ATOM 18105 H1 TIP3 3932 -27.047 43.109 -31.750 1.00 0.00 WAT +ATOM 18106 H2 TIP3 3932 -28.266 42.564 -31.126 1.00 0.00 WAT +ATOM 18107 OH2 TIP3 3933 -30.622 36.103 -41.825 1.00 0.00 WAT +ATOM 18108 H1 TIP3 3933 -31.601 36.077 -41.862 1.00 0.00 WAT +ATOM 18109 H2 TIP3 3933 -30.416 36.865 -41.253 1.00 0.00 WAT +ATOM 18110 OH2 TIP3 3934 -30.014 37.956 -39.845 1.00 0.00 WAT +ATOM 18111 H1 TIP3 3934 -29.143 37.755 -39.450 1.00 0.00 WAT +ATOM 18112 H2 TIP3 3934 -29.842 38.798 -40.300 1.00 0.00 WAT +ATOM 18113 OH2 TIP3 3935 -39.723 42.189 -34.210 1.00 0.00 WAT +ATOM 18114 H1 TIP3 3935 -38.887 42.315 -34.701 1.00 0.00 WAT +ATOM 18115 H2 TIP3 3935 -39.441 41.625 -33.470 1.00 0.00 WAT +ATOM 18116 OH2 TIP3 3936 -42.896 41.047 -28.047 1.00 0.00 WAT +ATOM 18117 H1 TIP3 3936 -42.340 40.496 -27.470 1.00 0.00 WAT +ATOM 18118 H2 TIP3 3936 -42.954 40.512 -28.870 1.00 0.00 WAT +ATOM 18119 OH2 TIP3 3937 -35.421 40.491 -26.513 1.00 0.00 WAT +ATOM 18120 H1 TIP3 3937 -35.751 40.273 -27.399 1.00 0.00 WAT +ATOM 18121 H2 TIP3 3937 -34.474 40.273 -26.605 1.00 0.00 WAT +ATOM 18122 OH2 TIP3 3938 -25.294 38.055 -39.979 1.00 0.00 WAT +ATOM 18123 H1 TIP3 3938 -25.913 37.858 -40.712 1.00 0.00 WAT +ATOM 18124 H2 TIP3 3938 -25.171 39.002 -40.172 1.00 0.00 WAT +ATOM 18125 OH2 TIP3 3939 -29.890 41.825 -32.268 1.00 0.00 WAT +ATOM 18126 H1 TIP3 3939 -30.803 41.812 -32.594 1.00 0.00 WAT +ATOM 18127 H2 TIP3 3939 -29.408 41.338 -32.955 1.00 0.00 WAT +ATOM 18128 OH2 TIP3 3940 -41.532 40.837 -41.595 1.00 0.00 WAT +ATOM 18129 H1 TIP3 3940 -40.795 41.449 -41.450 1.00 0.00 WAT +ATOM 18130 H2 TIP3 3940 -42.235 41.450 -41.864 1.00 0.00 WAT +ATOM 18131 OH2 TIP3 3941 -41.002 35.720 -28.873 1.00 0.00 WAT +ATOM 18132 H1 TIP3 3941 -41.860 36.117 -29.098 1.00 0.00 WAT +ATOM 18133 H2 TIP3 3941 -41.226 34.868 -28.458 1.00 0.00 WAT +ATOM 18134 OH2 TIP3 3942 -39.606 -43.951 -40.087 1.00 0.00 WAT +ATOM 18135 H1 TIP3 3942 -40.526 -43.610 -40.141 1.00 0.00 WAT +ATOM 18136 H2 TIP3 3942 -39.124 -43.198 -40.457 1.00 0.00 WAT +ATOM 18137 OH2 TIP3 3943 -32.109 35.490 -30.350 1.00 0.00 WAT +ATOM 18138 H1 TIP3 3943 -31.482 35.762 -29.664 1.00 0.00 WAT +ATOM 18139 H2 TIP3 3943 -32.587 34.750 -29.928 1.00 0.00 WAT +ATOM 18140 OH2 TIP3 3944 -31.504 35.033 -39.203 1.00 0.00 WAT +ATOM 18141 H1 TIP3 3944 -31.192 35.506 -39.993 1.00 0.00 WAT +ATOM 18142 H2 TIP3 3944 -30.972 35.440 -38.502 1.00 0.00 WAT +ATOM 18143 OH2 TIP3 3945 -34.056 36.962 -38.144 1.00 0.00 WAT +ATOM 18144 H1 TIP3 3945 -33.249 37.489 -37.991 1.00 0.00 WAT +ATOM 18145 H2 TIP3 3945 -34.343 36.767 -37.231 1.00 0.00 WAT +ATOM 18146 OH2 TIP3 3946 -33.666 37.906 -28.965 1.00 0.00 WAT +ATOM 18147 H1 TIP3 3946 -33.596 38.401 -28.133 1.00 0.00 WAT +ATOM 18148 H2 TIP3 3946 -33.163 37.106 -28.759 1.00 0.00 WAT +ATOM 18149 OH2 TIP3 3947 -33.421 33.957 -37.240 1.00 0.00 WAT +ATOM 18150 H1 TIP3 3947 -33.618 34.642 -36.574 1.00 0.00 WAT +ATOM 18151 H2 TIP3 3947 -32.709 34.390 -37.753 1.00 0.00 WAT +ATOM 18152 OH2 TIP3 3948 -37.722 34.957 -40.619 1.00 0.00 WAT +ATOM 18153 H1 TIP3 3948 -37.677 35.799 -40.139 1.00 0.00 WAT +ATOM 18154 H2 TIP3 3948 -36.880 34.533 -40.368 1.00 0.00 WAT +ATOM 18155 OH2 TIP3 3949 -27.413 35.840 -28.095 1.00 0.00 WAT +ATOM 18156 H1 TIP3 3949 -28.368 35.966 -28.263 1.00 0.00 WAT +ATOM 18157 H2 TIP3 3949 -27.135 35.627 -28.999 1.00 0.00 WAT +ATOM 18158 OH2 TIP3 3950 -28.883 39.672 -34.146 1.00 0.00 WAT +ATOM 18159 H1 TIP3 3950 -29.718 39.215 -34.344 1.00 0.00 WAT +ATOM 18160 H2 TIP3 3950 -28.401 39.000 -33.618 1.00 0.00 WAT +ATOM 18161 OH2 TIP3 3951 -40.972 38.229 -42.924 1.00 0.00 WAT +ATOM 18162 H1 TIP3 3951 -40.976 38.960 -42.281 1.00 0.00 WAT +ATOM 18163 H2 TIP3 3951 -41.851 37.836 -42.820 1.00 0.00 WAT +ATOM 18164 OH2 TIP3 3952 -40.280 32.962 -33.729 1.00 0.00 WAT +ATOM 18165 H1 TIP3 3952 -40.566 32.929 -34.663 1.00 0.00 WAT +ATOM 18166 H2 TIP3 3952 -40.689 32.151 -33.365 1.00 0.00 WAT +ATOM 18167 OH2 TIP3 3953 -41.991 43.458 -25.489 1.00 0.00 WAT +ATOM 18168 H1 TIP3 3953 -41.938 42.495 -25.459 1.00 0.00 WAT +ATOM 18169 H2 TIP3 3953 -42.941 43.608 -25.326 1.00 0.00 WAT +ATOM 18170 OH2 TIP3 3954 -35.875 43.286 -26.119 1.00 0.00 WAT +ATOM 18171 H1 TIP3 3954 -35.841 43.461 -27.081 1.00 0.00 WAT +ATOM 18172 H2 TIP3 3954 -35.508 42.381 -26.075 1.00 0.00 WAT +ATOM 18173 OH2 TIP3 3955 -29.851 -43.762 -28.383 1.00 0.00 WAT +ATOM 18174 H1 TIP3 3955 -29.051 -43.331 -28.715 1.00 0.00 WAT +ATOM 18175 H2 TIP3 3955 -30.519 -43.089 -28.562 1.00 0.00 WAT +ATOM 18176 OH2 TIP3 3956 -41.332 40.186 -25.850 1.00 0.00 WAT +ATOM 18177 H1 TIP3 3956 -40.516 39.665 -25.973 1.00 0.00 WAT +ATOM 18178 H2 TIP3 3956 -41.280 40.390 -24.906 1.00 0.00 WAT +ATOM 18179 OH2 TIP3 3957 -36.561 41.558 -40.818 1.00 0.00 WAT +ATOM 18180 H1 TIP3 3957 -37.302 41.219 -40.296 1.00 0.00 WAT +ATOM 18181 H2 TIP3 3957 -36.412 40.838 -41.457 1.00 0.00 WAT +ATOM 18182 OH2 TIP3 3958 -37.484 39.328 -28.544 1.00 0.00 WAT +ATOM 18183 H1 TIP3 3958 -38.052 40.100 -28.363 1.00 0.00 WAT +ATOM 18184 H2 TIP3 3958 -36.839 39.699 -29.173 1.00 0.00 WAT +ATOM 18185 OH2 TIP3 3959 -35.547 39.671 -42.779 1.00 0.00 WAT +ATOM 18186 H1 TIP3 3959 -35.485 39.422 -43.713 1.00 0.00 WAT +ATOM 18187 H2 TIP3 3959 -34.598 39.691 -42.538 1.00 0.00 WAT +ATOM 18188 OH2 TIP3 3960 -32.195 42.154 -24.997 1.00 0.00 WAT +ATOM 18189 H1 TIP3 3960 -31.312 41.968 -25.337 1.00 0.00 WAT +ATOM 18190 H2 TIP3 3960 -32.509 41.286 -24.733 1.00 0.00 WAT +ATOM 18191 OH2 TIP3 3961 -36.924 36.619 -27.409 1.00 0.00 WAT +ATOM 18192 H1 TIP3 3961 -36.834 35.972 -28.134 1.00 0.00 WAT +ATOM 18193 H2 TIP3 3961 -37.105 37.437 -27.904 1.00 0.00 WAT +ATOM 18194 OH2 TIP3 3962 -36.564 35.106 -29.963 1.00 0.00 WAT +ATOM 18195 H1 TIP3 3962 -36.043 35.624 -30.607 1.00 0.00 WAT +ATOM 18196 H2 TIP3 3962 -37.471 35.138 -30.334 1.00 0.00 WAT +ATOM 18197 OH2 TIP3 3963 -35.072 40.664 -29.661 1.00 0.00 WAT +ATOM 18198 H1 TIP3 3963 -34.226 40.542 -30.125 1.00 0.00 WAT +ATOM 18199 H2 TIP3 3963 -35.411 41.482 -30.065 1.00 0.00 WAT +ATOM 18200 OH2 TIP3 3964 -30.427 38.489 -24.780 1.00 0.00 WAT +ATOM 18201 H1 TIP3 3964 -30.213 37.550 -24.671 1.00 0.00 WAT +ATOM 18202 H2 TIP3 3964 -29.540 38.878 -24.838 1.00 0.00 WAT +ATOM 18203 OH2 TIP3 3965 -29.483 41.360 -26.438 1.00 0.00 WAT +ATOM 18204 H1 TIP3 3965 -29.708 42.080 -27.070 1.00 0.00 WAT +ATOM 18205 H2 TIP3 3965 -28.564 41.184 -26.706 1.00 0.00 WAT +ATOM 18206 OH2 TIP3 3966 -38.809 38.544 -25.651 1.00 0.00 WAT +ATOM 18207 H1 TIP3 3966 -39.311 37.709 -25.643 1.00 0.00 WAT +ATOM 18208 H2 TIP3 3966 -37.978 38.275 -26.072 1.00 0.00 WAT +ATOM 18209 OH2 TIP3 3967 -35.861 32.426 -29.609 1.00 0.00 WAT +ATOM 18210 H1 TIP3 3967 -36.023 33.379 -29.779 1.00 0.00 WAT +ATOM 18211 H2 TIP3 3967 -36.560 32.015 -30.152 1.00 0.00 WAT +ATOM 18212 OH2 TIP3 3968 -34.576 37.009 -25.833 1.00 0.00 WAT +ATOM 18213 H1 TIP3 3968 -34.919 36.811 -24.945 1.00 0.00 WAT +ATOM 18214 H2 TIP3 3968 -35.376 36.812 -26.365 1.00 0.00 WAT +ATOM 18215 OH2 TIP3 3969 -32.050 36.066 -26.957 1.00 0.00 WAT +ATOM 18216 H1 TIP3 3969 -32.929 36.114 -26.537 1.00 0.00 WAT +ATOM 18217 H2 TIP3 3969 -31.586 35.430 -26.379 1.00 0.00 WAT +ATOM 18218 OH2 TIP3 3970 -30.214 34.538 -25.239 1.00 0.00 WAT +ATOM 18219 H1 TIP3 3970 -30.356 33.585 -25.074 1.00 0.00 WAT +ATOM 18220 H2 TIP3 3970 -30.381 34.945 -24.368 1.00 0.00 WAT +ATOM 18221 OH2 TIP3 3971 -40.171 35.977 -25.800 1.00 0.00 WAT +ATOM 18222 H1 TIP3 3971 -40.159 35.245 -26.437 1.00 0.00 WAT +ATOM 18223 H2 TIP3 3971 -40.317 35.508 -24.956 1.00 0.00 WAT +ATOM 18224 OH2 TIP3 3972 -36.010 31.921 -26.800 1.00 0.00 WAT +ATOM 18225 H1 TIP3 3972 -35.415 31.155 -26.750 1.00 0.00 WAT +ATOM 18226 H2 TIP3 3972 -36.039 32.069 -27.767 1.00 0.00 WAT +ATOM 18227 OH2 TIP3 3973 -35.066 33.775 -24.936 1.00 0.00 WAT +ATOM 18228 H1 TIP3 3973 -35.359 33.191 -25.667 1.00 0.00 WAT +ATOM 18229 H2 TIP3 3973 -35.747 34.464 -24.933 1.00 0.00 WAT +ATOM 18230 OH2 TIP3 3974 -25.662 43.646 -38.913 1.00 0.00 WAT +ATOM 18231 H1 TIP3 3974 -24.719 43.638 -39.111 1.00 0.00 WAT +ATOM 18232 H2 TIP3 3974 -25.818 42.778 -38.507 1.00 0.00 WAT +ATOM 18233 OH2 TIP3 3975 -25.315 41.309 -37.328 1.00 0.00 WAT +ATOM 18234 H1 TIP3 3975 -26.082 40.867 -36.913 1.00 0.00 WAT +ATOM 18235 H2 TIP3 3975 -24.734 41.499 -36.569 1.00 0.00 WAT +ATOM 18236 OH2 TIP3 3976 -25.143 41.058 -41.057 1.00 0.00 WAT +ATOM 18237 H1 TIP3 3976 -25.758 41.385 -41.729 1.00 0.00 WAT +ATOM 18238 H2 TIP3 3976 -25.269 41.719 -40.369 1.00 0.00 WAT +ATOM 18239 OH2 TIP3 3977 -26.897 38.480 -42.120 1.00 0.00 WAT +ATOM 18240 H1 TIP3 3977 -26.628 39.198 -42.714 1.00 0.00 WAT +ATOM 18241 H2 TIP3 3977 -26.576 37.704 -42.591 1.00 0.00 WAT +ATOM 18242 OH2 TIP3 3978 -27.576 39.656 -36.576 1.00 0.00 WAT +ATOM 18243 H1 TIP3 3978 -27.600 38.696 -36.716 1.00 0.00 WAT +ATOM 18244 H2 TIP3 3978 -27.933 39.733 -35.665 1.00 0.00 WAT +ATOM 18245 OH2 TIP3 3979 -42.639 41.909 -32.744 1.00 0.00 WAT +ATOM 18246 H1 TIP3 3979 -42.257 41.879 -33.630 1.00 0.00 WAT +ATOM 18247 H2 TIP3 3979 -41.877 41.655 -32.186 1.00 0.00 WAT +ATOM 18248 OH2 TIP3 3980 -26.726 41.615 -27.341 1.00 0.00 WAT +ATOM 18249 H1 TIP3 3980 -26.000 41.003 -27.101 1.00 0.00 WAT +ATOM 18250 H2 TIP3 3980 -26.277 42.436 -27.609 1.00 0.00 WAT +ATOM 18251 OH2 TIP3 3981 -25.296 39.652 -26.195 1.00 0.00 WAT +ATOM 18252 H1 TIP3 3981 -26.098 39.117 -26.374 1.00 0.00 WAT +ATOM 18253 H2 TIP3 3981 -24.605 38.967 -26.156 1.00 0.00 WAT +ATOM 18254 OH2 TIP3 3982 -27.677 35.469 -43.226 1.00 0.00 WAT +ATOM 18255 H1 TIP3 3982 -27.082 35.023 -42.614 1.00 0.00 WAT +ATOM 18256 H2 TIP3 3982 -28.487 34.928 -43.199 1.00 0.00 WAT +ATOM 18257 OH2 TIP3 3983 -27.660 37.095 -38.356 1.00 0.00 WAT +ATOM 18258 H1 TIP3 3983 -27.395 36.151 -38.283 1.00 0.00 WAT +ATOM 18259 H2 TIP3 3983 -26.847 37.475 -38.729 1.00 0.00 WAT +ATOM 18260 OH2 TIP3 3984 -27.366 37.676 -32.889 1.00 0.00 WAT +ATOM 18261 H1 TIP3 3984 -26.394 37.793 -32.911 1.00 0.00 WAT +ATOM 18262 H2 TIP3 3984 -27.515 37.711 -31.929 1.00 0.00 WAT +ATOM 18263 OH2 TIP3 3985 -27.195 38.376 -30.054 1.00 0.00 WAT +ATOM 18264 H1 TIP3 3985 -28.059 38.762 -29.821 1.00 0.00 WAT +ATOM 18265 H2 TIP3 3985 -26.683 39.172 -30.304 1.00 0.00 WAT +ATOM 18266 OH2 TIP3 3986 -42.883 37.061 -26.538 1.00 0.00 WAT +ATOM 18267 H1 TIP3 3986 -41.988 36.693 -26.449 1.00 0.00 WAT +ATOM 18268 H2 TIP3 3986 -43.459 36.335 -26.258 1.00 0.00 WAT +ATOM 18269 OH2 TIP3 3987 -24.654 32.512 -24.783 1.00 0.00 WAT +ATOM 18270 H1 TIP3 3987 -24.224 31.835 -25.340 1.00 0.00 WAT +ATOM 18271 H2 TIP3 3987 -24.616 33.299 -25.360 1.00 0.00 WAT +ATOM 18272 OH2 TIP3 3988 -27.155 34.340 -38.307 1.00 0.00 WAT +ATOM 18273 H1 TIP3 3988 -27.009 33.971 -37.418 1.00 0.00 WAT +ATOM 18274 H2 TIP3 3988 -27.905 33.797 -38.622 1.00 0.00 WAT +ATOM 18275 OH2 TIP3 3989 -41.967 35.548 -33.236 1.00 0.00 WAT +ATOM 18276 H1 TIP3 3989 -41.598 34.656 -33.316 1.00 0.00 WAT +ATOM 18277 H2 TIP3 3989 -41.166 36.095 -33.144 1.00 0.00 WAT +ATOM 18278 OH2 TIP3 3990 -43.567 38.260 -32.640 1.00 0.00 WAT +ATOM 18279 H1 TIP3 3990 -43.116 37.650 -33.242 1.00 0.00 WAT +ATOM 18280 H2 TIP3 3990 -43.060 39.067 -32.790 1.00 0.00 WAT +ATOM 18281 OH2 TIP3 3991 -25.263 34.575 -26.527 1.00 0.00 WAT +ATOM 18282 H1 TIP3 3991 -26.140 34.999 -26.491 1.00 0.00 WAT +ATOM 18283 H2 TIP3 3991 -25.373 34.028 -27.326 1.00 0.00 WAT +ATOM 18284 OH2 TIP3 3992 -25.131 34.724 -41.756 1.00 0.00 WAT +ATOM 18285 H1 TIP3 3992 -24.852 34.008 -42.334 1.00 0.00 WAT +ATOM 18286 H2 TIP3 3992 -24.307 35.235 -41.668 1.00 0.00 WAT +ATOM 18287 OH2 TIP3 3993 -43.128 34.368 -38.733 1.00 0.00 WAT +ATOM 18288 H1 TIP3 3993 -43.860 34.363 -39.365 1.00 0.00 WAT +ATOM 18289 H2 TIP3 3993 -42.414 34.615 -39.343 1.00 0.00 WAT +ATOM 18290 OH2 TIP3 3994 -42.897 33.304 -30.560 1.00 0.00 WAT +ATOM 18291 H1 TIP3 3994 -43.581 33.186 -29.858 1.00 0.00 WAT +ATOM 18292 H2 TIP3 3994 -43.365 33.723 -31.294 1.00 0.00 WAT +ATOM 18293 OH2 TIP3 3995 -26.404 32.801 -28.542 1.00 0.00 WAT +ATOM 18294 H1 TIP3 3995 -27.196 33.008 -29.068 1.00 0.00 WAT +ATOM 18295 H2 TIP3 3995 -26.179 31.907 -28.877 1.00 0.00 WAT +ATOM 18296 OH2 TIP3 3996 -32.970 34.295 -34.090 1.00 0.00 WAT +ATOM 18297 H1 TIP3 3996 -33.659 33.617 -33.950 1.00 0.00 WAT +ATOM 18298 H2 TIP3 3996 -32.363 33.840 -34.694 1.00 0.00 WAT +ATOM 18299 OH2 TIP3 3997 -28.021 32.316 -33.630 1.00 0.00 WAT +ATOM 18300 H1 TIP3 3997 -27.257 32.762 -34.033 1.00 0.00 WAT +ATOM 18301 H2 TIP3 3997 -28.761 32.627 -34.178 1.00 0.00 WAT +ATOM 18302 OH2 TIP3 3998 -25.952 33.421 -35.776 1.00 0.00 WAT +ATOM 18303 H1 TIP3 3998 -25.218 33.002 -36.262 1.00 0.00 WAT +ATOM 18304 H2 TIP3 3998 -25.620 34.336 -35.673 1.00 0.00 WAT +ATOM 18305 OH2 TIP3 3999 -41.058 32.865 -36.488 1.00 0.00 WAT +ATOM 18306 H1 TIP3 3999 -41.763 32.707 -37.130 1.00 0.00 WAT +ATOM 18307 H2 TIP3 3999 -40.463 32.111 -36.656 1.00 0.00 WAT +ATOM 18308 OH2 TIP3 4000 -36.136 32.817 -36.648 1.00 0.00 WAT +ATOM 18309 H1 TIP3 4000 -35.233 33.143 -36.792 1.00 0.00 WAT +ATOM 18310 H2 TIP3 4000 -36.160 32.750 -35.686 1.00 0.00 WAT +ATOM 18311 OH2 TIP3 4001 -30.543 32.881 -35.241 1.00 0.00 WAT +ATOM 18312 H1 TIP3 4001 -30.297 32.743 -36.166 1.00 0.00 WAT +ATOM 18313 H2 TIP3 4001 -30.931 32.018 -35.004 1.00 0.00 WAT +ATOM 18314 OH2 TIP3 4002 -29.498 32.864 -39.194 1.00 0.00 WAT +ATOM 18315 H1 TIP3 4002 -30.282 33.339 -39.518 1.00 0.00 WAT +ATOM 18316 H2 TIP3 4002 -29.829 31.948 -39.182 1.00 0.00 WAT +ATOM 18317 OH2 TIP3 4003 -39.764 34.630 -42.674 1.00 0.00 WAT +ATOM 18318 H1 TIP3 4003 -39.912 33.679 -42.751 1.00 0.00 WAT +ATOM 18319 H2 TIP3 4003 -39.464 34.708 -41.757 1.00 0.00 WAT +ATOM 18320 OH2 TIP3 4004 -35.037 34.473 -39.588 1.00 0.00 WAT +ATOM 18321 H1 TIP3 4004 -34.637 33.936 -38.887 1.00 0.00 WAT +ATOM 18322 H2 TIP3 4004 -34.776 35.357 -39.287 1.00 0.00 WAT +ATOM 18323 OH2 TIP3 4005 -40.792 33.271 -27.028 1.00 0.00 WAT +ATOM 18324 H1 TIP3 4005 -41.245 32.513 -26.623 1.00 0.00 WAT +ATOM 18325 H2 TIP3 4005 -39.877 33.119 -26.732 1.00 0.00 WAT +ATOM 18326 OH2 TIP3 4006 -38.442 32.641 -25.270 1.00 0.00 WAT +ATOM 18327 H1 TIP3 4006 -37.618 32.290 -25.666 1.00 0.00 WAT +ATOM 18328 H2 TIP3 4006 -38.779 31.849 -24.816 1.00 0.00 WAT +ATOM 18329 OH2 TIP3 4007 -30.308 31.735 -25.097 1.00 0.00 WAT +ATOM 18330 H1 TIP3 4007 -30.263 31.331 -24.210 1.00 0.00 WAT +ATOM 18331 H2 TIP3 4007 -29.371 31.711 -25.367 1.00 0.00 WAT +ATOM 18332 OH2 TIP3 4008 -12.719 42.039 -36.468 1.00 0.00 WAT +ATOM 18333 H1 TIP3 4008 -13.035 42.951 -36.460 1.00 0.00 WAT +ATOM 18334 H2 TIP3 4008 -13.455 41.596 -36.916 1.00 0.00 WAT +ATOM 18335 OH2 TIP3 4009 -13.931 41.323 -33.172 1.00 0.00 WAT +ATOM 18336 H1 TIP3 4009 -13.900 40.795 -32.358 1.00 0.00 WAT +ATOM 18337 H2 TIP3 4009 -14.182 40.666 -33.832 1.00 0.00 WAT +ATOM 18338 OH2 TIP3 4010 -21.490 40.827 -31.562 1.00 0.00 WAT +ATOM 18339 H1 TIP3 4010 -21.509 40.068 -30.952 1.00 0.00 WAT +ATOM 18340 H2 TIP3 4010 -20.744 41.324 -31.200 1.00 0.00 WAT +ATOM 18341 OH2 TIP3 4011 -23.779 38.854 -37.620 1.00 0.00 WAT +ATOM 18342 H1 TIP3 4011 -24.221 39.717 -37.549 1.00 0.00 WAT +ATOM 18343 H2 TIP3 4011 -24.454 38.331 -38.072 1.00 0.00 WAT +ATOM 18344 OH2 TIP3 4012 -22.847 41.351 -35.777 1.00 0.00 WAT +ATOM 18345 H1 TIP3 4012 -22.852 40.550 -35.218 1.00 0.00 WAT +ATOM 18346 H2 TIP3 4012 -22.042 41.191 -36.284 1.00 0.00 WAT +ATOM 18347 OH2 TIP3 4013 -6.716 35.206 -31.985 1.00 0.00 WAT +ATOM 18348 H1 TIP3 4013 -6.511 35.849 -31.287 1.00 0.00 WAT +ATOM 18349 H2 TIP3 4013 -6.130 35.523 -32.698 1.00 0.00 WAT +ATOM 18350 OH2 TIP3 4014 -12.078 38.043 -32.116 1.00 0.00 WAT +ATOM 18351 H1 TIP3 4014 -11.978 37.078 -32.063 1.00 0.00 WAT +ATOM 18352 H2 TIP3 4014 -12.213 38.169 -33.068 1.00 0.00 WAT +ATOM 18353 OH2 TIP3 4015 -19.163 36.058 -35.040 1.00 0.00 WAT +ATOM 18354 H1 TIP3 4015 -18.988 36.896 -35.511 1.00 0.00 WAT +ATOM 18355 H2 TIP3 4015 -19.474 35.508 -35.781 1.00 0.00 WAT +ATOM 18356 OH2 TIP3 4016 -11.298 36.210 -36.757 1.00 0.00 WAT +ATOM 18357 H1 TIP3 4016 -10.740 35.764 -36.084 1.00 0.00 WAT +ATOM 18358 H2 TIP3 4016 -10.621 36.654 -37.287 1.00 0.00 WAT +ATOM 18359 OH2 TIP3 4017 -22.462 38.774 -34.530 1.00 0.00 WAT +ATOM 18360 H1 TIP3 4017 -21.819 38.308 -33.969 1.00 0.00 WAT +ATOM 18361 H2 TIP3 4017 -22.363 38.292 -35.371 1.00 0.00 WAT +ATOM 18362 OH2 TIP3 4018 -17.039 40.183 -35.055 1.00 0.00 WAT +ATOM 18363 H1 TIP3 4018 -16.361 39.596 -34.661 1.00 0.00 WAT +ATOM 18364 H2 TIP3 4018 -17.582 39.537 -35.548 1.00 0.00 WAT +ATOM 18365 OH2 TIP3 4019 -5.997 36.609 -29.497 1.00 0.00 WAT +ATOM 18366 H1 TIP3 4019 -6.583 37.323 -29.808 1.00 0.00 WAT +ATOM 18367 H2 TIP3 4019 -6.266 36.559 -28.569 1.00 0.00 WAT +ATOM 18368 OH2 TIP3 4020 -20.342 34.839 -30.880 1.00 0.00 WAT +ATOM 18369 H1 TIP3 4020 -20.745 35.335 -31.607 1.00 0.00 WAT +ATOM 18370 H2 TIP3 4020 -20.993 34.999 -30.167 1.00 0.00 WAT +ATOM 18371 OH2 TIP3 4021 -17.626 42.673 -31.114 1.00 0.00 WAT +ATOM 18372 H1 TIP3 4021 -18.436 43.203 -31.056 1.00 0.00 WAT +ATOM 18373 H2 TIP3 4021 -16.968 43.381 -31.171 1.00 0.00 WAT +ATOM 18374 OH2 TIP3 4022 -9.427 35.452 -34.703 1.00 0.00 WAT +ATOM 18375 H1 TIP3 4022 -9.881 34.882 -34.068 1.00 0.00 WAT +ATOM 18376 H2 TIP3 4022 -8.955 36.069 -34.117 1.00 0.00 WAT +ATOM 18377 OH2 TIP3 4023 -20.740 36.899 -32.949 1.00 0.00 WAT +ATOM 18378 H1 TIP3 4023 -20.084 37.454 -32.476 1.00 0.00 WAT +ATOM 18379 H2 TIP3 4023 -20.167 36.525 -33.657 1.00 0.00 WAT +ATOM 18380 OH2 TIP3 4024 -9.325 34.625 -30.849 1.00 0.00 WAT +ATOM 18381 H1 TIP3 4024 -10.104 35.009 -31.293 1.00 0.00 WAT +ATOM 18382 H2 TIP3 4024 -8.613 34.803 -31.491 1.00 0.00 WAT +ATOM 18383 OH2 TIP3 4025 -16.114 32.332 -33.681 1.00 0.00 WAT +ATOM 18384 H1 TIP3 4025 -16.365 31.426 -33.932 1.00 0.00 WAT +ATOM 18385 H2 TIP3 4025 -16.983 32.719 -33.448 1.00 0.00 WAT +ATOM 18386 OH2 TIP3 4026 -14.174 41.423 -39.090 1.00 0.00 WAT +ATOM 18387 H1 TIP3 4026 -14.834 41.792 -39.692 1.00 0.00 WAT +ATOM 18388 H2 TIP3 4026 -13.410 41.343 -39.682 1.00 0.00 WAT +ATOM 18389 OH2 TIP3 4027 -13.802 39.482 -42.056 1.00 0.00 WAT +ATOM 18390 H1 TIP3 4027 -13.066 39.759 -41.487 1.00 0.00 WAT +ATOM 18391 H2 TIP3 4027 -13.351 38.863 -42.670 1.00 0.00 WAT +ATOM 18392 OH2 TIP3 4028 -6.692 40.554 -30.810 1.00 0.00 WAT +ATOM 18393 H1 TIP3 4028 -7.345 41.274 -30.675 1.00 0.00 WAT +ATOM 18394 H2 TIP3 4028 -6.182 40.948 -31.548 1.00 0.00 WAT +ATOM 18395 OH2 TIP3 4029 -10.511 41.403 -38.074 1.00 0.00 WAT +ATOM 18396 H1 TIP3 4029 -11.171 41.613 -37.384 1.00 0.00 WAT +ATOM 18397 H2 TIP3 4029 -9.853 40.892 -37.566 1.00 0.00 WAT +ATOM 18398 OH2 TIP3 4030 -10.761 39.811 -29.123 1.00 0.00 WAT +ATOM 18399 H1 TIP3 4030 -10.753 40.579 -28.531 1.00 0.00 WAT +ATOM 18400 H2 TIP3 4030 -11.346 40.156 -29.821 1.00 0.00 WAT +ATOM 18401 OH2 TIP3 4031 -18.976 42.071 -36.112 1.00 0.00 WAT +ATOM 18402 H1 TIP3 4031 -19.180 41.788 -37.023 1.00 0.00 WAT +ATOM 18403 H2 TIP3 4031 -18.196 41.528 -35.905 1.00 0.00 WAT +ATOM 18404 OH2 TIP3 4032 -18.471 40.702 -32.714 1.00 0.00 WAT +ATOM 18405 H1 TIP3 4032 -17.867 40.726 -33.482 1.00 0.00 WAT +ATOM 18406 H2 TIP3 4032 -18.123 41.426 -32.151 1.00 0.00 WAT +ATOM 18407 OH2 TIP3 4033 -11.513 40.750 -40.559 1.00 0.00 WAT +ATOM 18408 H1 TIP3 4033 -11.018 41.014 -39.750 1.00 0.00 WAT +ATOM 18409 H2 TIP3 4033 -10.911 41.088 -41.258 1.00 0.00 WAT +ATOM 18410 OH2 TIP3 4034 -20.586 41.495 -28.857 1.00 0.00 WAT +ATOM 18411 H1 TIP3 4034 -20.474 42.115 -28.101 1.00 0.00 WAT +ATOM 18412 H2 TIP3 4034 -21.552 41.381 -28.850 1.00 0.00 WAT +ATOM 18413 OH2 TIP3 4035 -8.074 32.368 -40.748 1.00 0.00 WAT +ATOM 18414 H1 TIP3 4035 -9.034 32.454 -40.587 1.00 0.00 WAT +ATOM 18415 H2 TIP3 4035 -7.846 33.274 -41.007 1.00 0.00 WAT +ATOM 18416 OH2 TIP3 4036 -20.102 40.881 -38.597 1.00 0.00 WAT +ATOM 18417 H1 TIP3 4036 -20.291 41.661 -39.162 1.00 0.00 WAT +ATOM 18418 H2 TIP3 4036 -20.733 40.234 -38.935 1.00 0.00 WAT +ATOM 18419 OH2 TIP3 4037 -24.173 43.091 -29.821 1.00 0.00 WAT +ATOM 18420 H1 TIP3 4037 -24.119 42.920 -30.775 1.00 0.00 WAT +ATOM 18421 H2 TIP3 4037 -23.810 42.264 -29.446 1.00 0.00 WAT +ATOM 18422 OH2 TIP3 4038 -8.770 38.381 -26.790 1.00 0.00 WAT +ATOM 18423 H1 TIP3 4038 -9.306 38.751 -27.505 1.00 0.00 WAT +ATOM 18424 H2 TIP3 4038 -8.738 37.440 -27.046 1.00 0.00 WAT +ATOM 18425 OH2 TIP3 4039 -18.629 33.470 -32.855 1.00 0.00 WAT +ATOM 18426 H1 TIP3 4039 -19.412 33.428 -33.429 1.00 0.00 WAT +ATOM 18427 H2 TIP3 4039 -18.877 34.211 -32.282 1.00 0.00 WAT +ATOM 18428 OH2 TIP3 4040 -14.251 33.078 -29.238 1.00 0.00 WAT +ATOM 18429 H1 TIP3 4040 -13.729 32.546 -28.607 1.00 0.00 WAT +ATOM 18430 H2 TIP3 4040 -15.156 32.729 -29.127 1.00 0.00 WAT +ATOM 18431 OH2 TIP3 4041 -11.062 36.858 -28.696 1.00 0.00 WAT +ATOM 18432 H1 TIP3 4041 -11.704 36.699 -27.978 1.00 0.00 WAT +ATOM 18433 H2 TIP3 4041 -11.178 37.805 -28.889 1.00 0.00 WAT +ATOM 18434 OH2 TIP3 4042 -9.483 41.453 -42.517 1.00 0.00 WAT +ATOM 18435 H1 TIP3 4042 -9.917 41.662 -43.372 1.00 0.00 WAT +ATOM 18436 H2 TIP3 4042 -9.022 42.296 -42.341 1.00 0.00 WAT +ATOM 18437 OH2 TIP3 4043 -14.402 35.433 -42.164 1.00 0.00 WAT +ATOM 18438 H1 TIP3 4043 -14.969 35.554 -41.392 1.00 0.00 WAT +ATOM 18439 H2 TIP3 4043 -14.843 34.687 -42.588 1.00 0.00 WAT +ATOM 18440 OH2 TIP3 4044 -18.763 38.243 -31.460 1.00 0.00 WAT +ATOM 18441 H1 TIP3 4044 -19.350 38.380 -30.698 1.00 0.00 WAT +ATOM 18442 H2 TIP3 4044 -18.681 39.150 -31.829 1.00 0.00 WAT +ATOM 18443 OH2 TIP3 4045 -18.820 38.362 -36.611 1.00 0.00 WAT +ATOM 18444 H1 TIP3 4045 -19.774 38.245 -36.774 1.00 0.00 WAT +ATOM 18445 H2 TIP3 4045 -18.465 38.155 -37.500 1.00 0.00 WAT +ATOM 18446 OH2 TIP3 4046 -13.106 38.975 -37.836 1.00 0.00 WAT +ATOM 18447 H1 TIP3 4046 -13.604 39.717 -38.223 1.00 0.00 WAT +ATOM 18448 H2 TIP3 4046 -12.514 38.725 -38.566 1.00 0.00 WAT +ATOM 18449 OH2 TIP3 4047 -14.019 39.204 -26.393 1.00 0.00 WAT +ATOM 18450 H1 TIP3 4047 -14.521 38.430 -26.069 1.00 0.00 WAT +ATOM 18451 H2 TIP3 4047 -13.134 39.044 -26.011 1.00 0.00 WAT +ATOM 18452 OH2 TIP3 4048 -12.352 38.303 -35.070 1.00 0.00 WAT +ATOM 18453 H1 TIP3 4048 -12.617 38.845 -35.839 1.00 0.00 WAT +ATOM 18454 H2 TIP3 4048 -12.142 37.469 -35.535 1.00 0.00 WAT +ATOM 18455 OH2 TIP3 4049 -21.400 38.422 -29.676 1.00 0.00 WAT +ATOM 18456 H1 TIP3 4049 -21.131 38.769 -28.817 1.00 0.00 WAT +ATOM 18457 H2 TIP3 4049 -21.729 37.538 -29.437 1.00 0.00 WAT +ATOM 18458 OH2 TIP3 4050 -17.719 35.787 -43.141 1.00 0.00 WAT +ATOM 18459 H1 TIP3 4050 -18.063 35.605 -42.244 1.00 0.00 WAT +ATOM 18460 H2 TIP3 4050 -18.443 36.322 -43.515 1.00 0.00 WAT +ATOM 18461 OH2 TIP3 4051 -24.576 35.899 -36.005 1.00 0.00 WAT +ATOM 18462 H1 TIP3 4051 -23.958 35.879 -35.250 1.00 0.00 WAT +ATOM 18463 H2 TIP3 4051 -24.063 35.508 -36.729 1.00 0.00 WAT +ATOM 18464 OH2 TIP3 4052 -23.014 36.329 -40.403 1.00 0.00 WAT +ATOM 18465 H1 TIP3 4052 -22.429 36.819 -41.015 1.00 0.00 WAT +ATOM 18466 H2 TIP3 4052 -23.674 37.008 -40.180 1.00 0.00 WAT +ATOM 18467 OH2 TIP3 4053 -13.371 39.966 -30.602 1.00 0.00 WAT +ATOM 18468 H1 TIP3 4053 -12.849 39.294 -31.093 1.00 0.00 WAT +ATOM 18469 H2 TIP3 4053 -13.682 39.440 -29.847 1.00 0.00 WAT +ATOM 18470 OH2 TIP3 4054 -16.032 36.003 -35.581 1.00 0.00 WAT +ATOM 18471 H1 TIP3 4054 -16.968 35.827 -35.388 1.00 0.00 WAT +ATOM 18472 H2 TIP3 4054 -15.607 35.688 -34.765 1.00 0.00 WAT +ATOM 18473 OH2 TIP3 4055 -21.480 37.151 -36.897 1.00 0.00 WAT +ATOM 18474 H1 TIP3 4055 -22.292 37.405 -37.366 1.00 0.00 WAT +ATOM 18475 H2 TIP3 4055 -21.175 36.361 -37.384 1.00 0.00 WAT +ATOM 18476 OH2 TIP3 4056 -17.871 37.585 -39.204 1.00 0.00 WAT +ATOM 18477 H1 TIP3 4056 -16.900 37.587 -39.168 1.00 0.00 WAT +ATOM 18478 H2 TIP3 4056 -18.082 38.127 -39.984 1.00 0.00 WAT +ATOM 18479 OH2 TIP3 4057 -11.670 35.069 -32.565 1.00 0.00 WAT +ATOM 18480 H1 TIP3 4057 -12.309 35.079 -31.819 1.00 0.00 WAT +ATOM 18481 H2 TIP3 4057 -12.250 34.726 -33.269 1.00 0.00 WAT +ATOM 18482 OH2 TIP3 4058 -19.283 38.675 -41.581 1.00 0.00 WAT +ATOM 18483 H1 TIP3 4058 -19.917 38.224 -42.160 1.00 0.00 WAT +ATOM 18484 H2 TIP3 4058 -18.551 38.893 -42.178 1.00 0.00 WAT +ATOM 18485 OH2 TIP3 4059 -20.471 43.171 -26.780 1.00 0.00 WAT +ATOM 18486 H1 TIP3 4059 -19.905 43.631 -26.129 1.00 0.00 WAT +ATOM 18487 H2 TIP3 4059 -21.280 43.039 -26.239 1.00 0.00 WAT +ATOM 18488 OH2 TIP3 4060 -15.026 38.514 -33.733 1.00 0.00 WAT +ATOM 18489 H1 TIP3 4060 -14.325 38.048 -34.212 1.00 0.00 WAT +ATOM 18490 H2 TIP3 4060 -15.204 37.895 -32.996 1.00 0.00 WAT +ATOM 18491 OH2 TIP3 4061 -19.750 34.875 -37.661 1.00 0.00 WAT +ATOM 18492 H1 TIP3 4061 -20.257 34.076 -37.438 1.00 0.00 WAT +ATOM 18493 H2 TIP3 4061 -18.879 34.500 -37.869 1.00 0.00 WAT +ATOM 18494 OH2 TIP3 4062 -16.049 36.955 -31.514 1.00 0.00 WAT +ATOM 18495 H1 TIP3 4062 -16.841 37.517 -31.486 1.00 0.00 WAT +ATOM 18496 H2 TIP3 4062 -15.561 37.214 -30.710 1.00 0.00 WAT +ATOM 18497 OH2 TIP3 4063 -16.306 43.635 -39.388 1.00 0.00 WAT +ATOM 18498 H1 TIP3 4063 -16.739 42.964 -39.949 1.00 0.00 WAT +ATOM 18499 H2 TIP3 4063 -15.843 43.130 -38.715 1.00 0.00 WAT +ATOM 18500 OH2 TIP3 4064 -8.456 42.668 -30.929 1.00 0.00 WAT +ATOM 18501 H1 TIP3 4064 -8.202 43.108 -31.761 1.00 0.00 WAT +ATOM 18502 H2 TIP3 4064 -9.407 42.557 -31.117 1.00 0.00 WAT +ATOM 18503 OH2 TIP3 4065 -11.722 36.187 -42.083 1.00 0.00 WAT +ATOM 18504 H1 TIP3 4065 -12.681 36.025 -41.945 1.00 0.00 WAT +ATOM 18505 H2 TIP3 4065 -11.493 36.812 -41.368 1.00 0.00 WAT +ATOM 18506 OH2 TIP3 4066 -11.145 37.891 -39.912 1.00 0.00 WAT +ATOM 18507 H1 TIP3 4066 -10.293 37.737 -39.456 1.00 0.00 WAT +ATOM 18508 H2 TIP3 4066 -11.007 38.775 -40.298 1.00 0.00 WAT +ATOM 18509 OH2 TIP3 4067 -20.518 42.483 -33.918 1.00 0.00 WAT +ATOM 18510 H1 TIP3 4067 -19.909 42.391 -34.682 1.00 0.00 WAT +ATOM 18511 H2 TIP3 4067 -20.384 41.634 -33.469 1.00 0.00 WAT +ATOM 18512 OH2 TIP3 4068 -23.448 40.813 -28.548 1.00 0.00 WAT +ATOM 18513 H1 TIP3 4068 -23.341 40.425 -27.658 1.00 0.00 WAT +ATOM 18514 H2 TIP3 4068 -24.178 40.296 -28.927 1.00 0.00 WAT +ATOM 18515 OH2 TIP3 4069 -16.561 40.515 -26.528 1.00 0.00 WAT +ATOM 18516 H1 TIP3 4069 -16.895 40.265 -27.405 1.00 0.00 WAT +ATOM 18517 H2 TIP3 4069 -15.621 40.269 -26.605 1.00 0.00 WAT +ATOM 18518 OH2 TIP3 4070 -6.443 38.054 -39.994 1.00 0.00 WAT +ATOM 18519 H1 TIP3 4070 -7.069 37.873 -40.723 1.00 0.00 WAT +ATOM 18520 H2 TIP3 4070 -6.309 39.004 -40.169 1.00 0.00 WAT +ATOM 18521 OH2 TIP3 4071 -11.028 41.844 -32.284 1.00 0.00 WAT +ATOM 18522 H1 TIP3 4071 -11.951 41.806 -32.583 1.00 0.00 WAT +ATOM 18523 H2 TIP3 4071 -10.563 41.325 -32.959 1.00 0.00 WAT +ATOM 18524 OH2 TIP3 4072 -22.339 40.839 -41.963 1.00 0.00 WAT +ATOM 18525 H1 TIP3 4072 -21.793 41.537 -41.575 1.00 0.00 WAT +ATOM 18526 H2 TIP3 4072 -23.244 41.106 -41.711 1.00 0.00 WAT +ATOM 18527 OH2 TIP3 4073 -22.216 35.659 -28.893 1.00 0.00 WAT +ATOM 18528 H1 TIP3 4073 -23.124 35.894 -29.165 1.00 0.00 WAT +ATOM 18529 H2 TIP3 4073 -22.350 34.784 -28.488 1.00 0.00 WAT +ATOM 18530 OH2 TIP3 4074 -20.768 -43.933 -40.089 1.00 0.00 WAT +ATOM 18531 H1 TIP3 4074 -21.669 -43.555 -40.046 1.00 0.00 WAT +ATOM 18532 H2 TIP3 4074 -20.272 -43.176 -40.433 1.00 0.00 WAT +ATOM 18533 OH2 TIP3 4075 -13.236 35.485 -30.355 1.00 0.00 WAT +ATOM 18534 H1 TIP3 4075 -12.639 35.749 -29.642 1.00 0.00 WAT +ATOM 18535 H2 TIP3 4075 -13.743 34.753 -29.949 1.00 0.00 WAT +ATOM 18536 OH2 TIP3 4076 -12.578 35.024 -39.237 1.00 0.00 WAT +ATOM 18537 H1 TIP3 4076 -12.331 35.647 -39.931 1.00 0.00 WAT +ATOM 18538 H2 TIP3 4076 -12.174 35.425 -38.453 1.00 0.00 WAT +ATOM 18539 OH2 TIP3 4077 -15.189 36.945 -38.148 1.00 0.00 WAT +ATOM 18540 H1 TIP3 4077 -14.395 37.475 -37.960 1.00 0.00 WAT +ATOM 18541 H2 TIP3 4077 -15.497 36.724 -37.245 1.00 0.00 WAT +ATOM 18542 OH2 TIP3 4078 -14.758 37.936 -28.985 1.00 0.00 WAT +ATOM 18543 H1 TIP3 4078 -14.747 38.397 -28.130 1.00 0.00 WAT +ATOM 18544 H2 TIP3 4078 -14.326 37.102 -28.755 1.00 0.00 WAT +ATOM 18545 OH2 TIP3 4079 -14.519 33.800 -37.219 1.00 0.00 WAT +ATOM 18546 H1 TIP3 4079 -14.779 34.502 -36.604 1.00 0.00 WAT +ATOM 18547 H2 TIP3 4079 -13.857 34.226 -37.786 1.00 0.00 WAT +ATOM 18548 OH2 TIP3 4080 -18.863 35.024 -40.793 1.00 0.00 WAT +ATOM 18549 H1 TIP3 4080 -18.953 35.721 -40.122 1.00 0.00 WAT +ATOM 18550 H2 TIP3 4080 -18.118 34.512 -40.423 1.00 0.00 WAT +ATOM 18551 OH2 TIP3 4081 -8.539 35.831 -28.108 1.00 0.00 WAT +ATOM 18552 H1 TIP3 4081 -9.500 35.971 -28.231 1.00 0.00 WAT +ATOM 18553 H2 TIP3 4081 -8.313 35.621 -29.026 1.00 0.00 WAT +ATOM 18554 OH2 TIP3 4082 -10.020 39.671 -34.147 1.00 0.00 WAT +ATOM 18555 H1 TIP3 4082 -10.864 39.227 -34.343 1.00 0.00 WAT +ATOM 18556 H2 TIP3 4082 -9.554 38.992 -33.615 1.00 0.00 WAT +ATOM 18557 OH2 TIP3 4083 -22.220 38.059 -42.588 1.00 0.00 WAT +ATOM 18558 H1 TIP3 4083 -22.096 39.014 -42.413 1.00 0.00 WAT +ATOM 18559 H2 TIP3 4083 -23.139 38.047 -42.907 1.00 0.00 WAT +ATOM 18560 OH2 TIP3 4084 -21.460 33.064 -33.711 1.00 0.00 WAT +ATOM 18561 H1 TIP3 4084 -21.558 33.001 -34.684 1.00 0.00 WAT +ATOM 18562 H2 TIP3 4084 -21.747 32.182 -33.414 1.00 0.00 WAT +ATOM 18563 OH2 TIP3 4085 -22.922 43.074 -25.658 1.00 0.00 WAT +ATOM 18564 H1 TIP3 4085 -23.123 42.121 -25.605 1.00 0.00 WAT +ATOM 18565 H2 TIP3 4085 -23.747 43.482 -25.932 1.00 0.00 WAT +ATOM 18566 OH2 TIP3 4086 -17.011 43.292 -26.113 1.00 0.00 WAT +ATOM 18567 H1 TIP3 4086 -16.995 43.454 -27.077 1.00 0.00 WAT +ATOM 18568 H2 TIP3 4086 -16.667 42.377 -26.070 1.00 0.00 WAT +ATOM 18569 OH2 TIP3 4087 -10.994 -43.761 -28.380 1.00 0.00 WAT +ATOM 18570 H1 TIP3 4087 -10.204 -43.319 -28.718 1.00 0.00 WAT +ATOM 18571 H2 TIP3 4087 -11.677 -43.106 -28.566 1.00 0.00 WAT +ATOM 18572 OH2 TIP3 4088 -22.336 40.234 -25.934 1.00 0.00 WAT +ATOM 18573 H1 TIP3 4088 -21.550 39.662 -26.003 1.00 0.00 WAT +ATOM 18574 H2 TIP3 4088 -22.322 40.444 -24.982 1.00 0.00 WAT +ATOM 18575 OH2 TIP3 4089 -17.715 41.555 -40.825 1.00 0.00 WAT +ATOM 18576 H1 TIP3 4089 -18.428 41.200 -40.278 1.00 0.00 WAT +ATOM 18577 H2 TIP3 4089 -17.582 40.842 -41.474 1.00 0.00 WAT +ATOM 18578 OH2 TIP3 4090 -18.612 39.328 -28.554 1.00 0.00 WAT +ATOM 18579 H1 TIP3 4090 -19.169 40.101 -28.352 1.00 0.00 WAT +ATOM 18580 H2 TIP3 4090 -17.972 39.706 -29.182 1.00 0.00 WAT +ATOM 18581 OH2 TIP3 4091 -16.651 39.555 -42.737 1.00 0.00 WAT +ATOM 18582 H1 TIP3 4091 -16.701 39.544 -43.703 1.00 0.00 WAT +ATOM 18583 H2 TIP3 4091 -15.691 39.656 -42.592 1.00 0.00 WAT +ATOM 18584 OH2 TIP3 4092 -13.321 42.163 -24.999 1.00 0.00 WAT +ATOM 18585 H1 TIP3 4092 -12.452 41.930 -25.341 1.00 0.00 WAT +ATOM 18586 H2 TIP3 4092 -13.671 41.314 -24.710 1.00 0.00 WAT +ATOM 18587 OH2 TIP3 4093 -18.080 36.627 -27.431 1.00 0.00 WAT +ATOM 18588 H1 TIP3 4093 -17.989 35.973 -28.149 1.00 0.00 WAT +ATOM 18589 H2 TIP3 4093 -18.271 37.442 -27.926 1.00 0.00 WAT +ATOM 18590 OH2 TIP3 4094 -17.711 35.112 -29.970 1.00 0.00 WAT +ATOM 18591 H1 TIP3 4094 -17.190 35.614 -30.625 1.00 0.00 WAT +ATOM 18592 H2 TIP3 4094 -18.618 35.136 -30.338 1.00 0.00 WAT +ATOM 18593 OH2 TIP3 4095 -16.223 40.665 -29.665 1.00 0.00 WAT +ATOM 18594 H1 TIP3 4095 -15.377 40.540 -30.126 1.00 0.00 WAT +ATOM 18595 H2 TIP3 4095 -16.560 41.484 -30.068 1.00 0.00 WAT +ATOM 18596 OH2 TIP3 4096 -11.566 38.499 -24.819 1.00 0.00 WAT +ATOM 18597 H1 TIP3 4096 -11.415 37.563 -24.604 1.00 0.00 WAT +ATOM 18598 H2 TIP3 4096 -10.661 38.843 -24.833 1.00 0.00 WAT +ATOM 18599 OH2 TIP3 4097 -10.617 41.374 -26.424 1.00 0.00 WAT +ATOM 18600 H1 TIP3 4097 -10.857 42.081 -27.065 1.00 0.00 WAT +ATOM 18601 H2 TIP3 4097 -9.718 41.165 -26.729 1.00 0.00 WAT +ATOM 18602 OH2 TIP3 4098 -19.928 38.529 -25.675 1.00 0.00 WAT +ATOM 18603 H1 TIP3 4098 -20.402 37.680 -25.623 1.00 0.00 WAT +ATOM 18604 H2 TIP3 4098 -19.068 38.245 -26.025 1.00 0.00 WAT +ATOM 18605 OH2 TIP3 4099 -16.994 32.438 -29.604 1.00 0.00 WAT +ATOM 18606 H1 TIP3 4099 -17.163 33.388 -29.778 1.00 0.00 WAT +ATOM 18607 H2 TIP3 4099 -17.680 32.020 -30.159 1.00 0.00 WAT +ATOM 18608 OH2 TIP3 4100 -15.734 37.011 -25.870 1.00 0.00 WAT +ATOM 18609 H1 TIP3 4100 -16.034 36.763 -24.977 1.00 0.00 WAT +ATOM 18610 H2 TIP3 4100 -16.546 36.781 -26.369 1.00 0.00 WAT +ATOM 18611 OH2 TIP3 4101 -13.194 36.070 -26.957 1.00 0.00 WAT +ATOM 18612 H1 TIP3 4101 -14.081 36.127 -26.552 1.00 0.00 WAT +ATOM 18613 H2 TIP3 4101 -12.754 35.432 -26.368 1.00 0.00 WAT +ATOM 18614 OH2 TIP3 4102 -11.273 34.514 -25.203 1.00 0.00 WAT +ATOM 18615 H1 TIP3 4102 -11.529 33.584 -25.051 1.00 0.00 WAT +ATOM 18616 H2 TIP3 4102 -11.547 34.957 -24.377 1.00 0.00 WAT +ATOM 18617 OH2 TIP3 4103 -21.193 35.937 -25.762 1.00 0.00 WAT +ATOM 18618 H1 TIP3 4103 -21.237 35.233 -26.428 1.00 0.00 WAT +ATOM 18619 H2 TIP3 4103 -21.393 35.450 -24.941 1.00 0.00 WAT +ATOM 18620 OH2 TIP3 4104 -17.200 31.923 -26.786 1.00 0.00 WAT +ATOM 18621 H1 TIP3 4104 -16.558 31.201 -26.737 1.00 0.00 WAT +ATOM 18622 H2 TIP3 4104 -17.182 32.119 -27.744 1.00 0.00 WAT +ATOM 18623 OH2 TIP3 4105 -16.120 33.798 -24.864 1.00 0.00 WAT +ATOM 18624 H1 TIP3 4105 -16.502 33.098 -25.421 1.00 0.00 WAT +ATOM 18625 H2 TIP3 4105 -16.902 34.280 -24.572 1.00 0.00 WAT +ATOM 18626 OH2 TIP3 4106 -6.797 43.686 -38.845 1.00 0.00 WAT +ATOM 18627 H1 TIP3 4106 -5.877 43.640 -39.130 1.00 0.00 WAT +ATOM 18628 H2 TIP3 4106 -6.984 42.788 -38.532 1.00 0.00 WAT +ATOM 18629 OH2 TIP3 4107 -6.449 41.285 -37.329 1.00 0.00 WAT +ATOM 18630 H1 TIP3 4107 -7.225 40.862 -36.909 1.00 0.00 WAT +ATOM 18631 H2 TIP3 4107 -5.878 41.501 -36.569 1.00 0.00 WAT +ATOM 18632 OH2 TIP3 4108 -6.300 41.043 -41.063 1.00 0.00 WAT +ATOM 18633 H1 TIP3 4108 -6.917 41.374 -41.734 1.00 0.00 WAT +ATOM 18634 H2 TIP3 4108 -6.415 41.714 -40.383 1.00 0.00 WAT +ATOM 18635 OH2 TIP3 4109 -8.065 38.430 -42.163 1.00 0.00 WAT +ATOM 18636 H1 TIP3 4109 -7.808 39.215 -42.678 1.00 0.00 WAT +ATOM 18637 H2 TIP3 4109 -7.638 37.719 -42.650 1.00 0.00 WAT +ATOM 18638 OH2 TIP3 4110 -8.715 39.651 -36.573 1.00 0.00 WAT +ATOM 18639 H1 TIP3 4110 -8.754 38.692 -36.711 1.00 0.00 WAT +ATOM 18640 H2 TIP3 4110 -9.079 39.733 -35.665 1.00 0.00 WAT +ATOM 18641 OH2 TIP3 4111 -23.844 41.895 -32.594 1.00 0.00 WAT +ATOM 18642 H1 TIP3 4111 -23.749 42.015 -33.551 1.00 0.00 WAT +ATOM 18643 H2 TIP3 4111 -22.944 41.599 -32.338 1.00 0.00 WAT +ATOM 18644 OH2 TIP3 4112 -7.858 41.614 -27.362 1.00 0.00 WAT +ATOM 18645 H1 TIP3 4112 -7.141 41.002 -27.095 1.00 0.00 WAT +ATOM 18646 H2 TIP3 4112 -7.404 42.441 -27.597 1.00 0.00 WAT +ATOM 18647 OH2 TIP3 4113 -6.430 39.654 -26.205 1.00 0.00 WAT +ATOM 18648 H1 TIP3 4113 -7.245 39.135 -26.379 1.00 0.00 WAT +ATOM 18649 H2 TIP3 4113 -5.757 38.952 -26.161 1.00 0.00 WAT +ATOM 18650 OH2 TIP3 4114 -8.840 35.276 -43.341 1.00 0.00 WAT +ATOM 18651 H1 TIP3 4114 -8.218 35.069 -42.636 1.00 0.00 WAT +ATOM 18652 H2 TIP3 4114 -9.691 34.946 -43.021 1.00 0.00 WAT +ATOM 18653 OH2 TIP3 4115 -8.806 37.093 -38.361 1.00 0.00 WAT +ATOM 18654 H1 TIP3 4115 -8.538 36.151 -38.280 1.00 0.00 WAT +ATOM 18655 H2 TIP3 4115 -7.992 37.478 -38.727 1.00 0.00 WAT +ATOM 18656 OH2 TIP3 4116 -8.504 37.659 -32.891 1.00 0.00 WAT +ATOM 18657 H1 TIP3 4116 -7.535 37.798 -32.901 1.00 0.00 WAT +ATOM 18658 H2 TIP3 4116 -8.672 37.710 -31.934 1.00 0.00 WAT +ATOM 18659 OH2 TIP3 4117 -8.330 38.368 -30.068 1.00 0.00 WAT +ATOM 18660 H1 TIP3 4117 -9.197 38.736 -29.814 1.00 0.00 WAT +ATOM 18661 H2 TIP3 4117 -7.833 39.179 -30.300 1.00 0.00 WAT +ATOM 18662 OH2 TIP3 4118 -23.870 37.156 -26.391 1.00 0.00 WAT +ATOM 18663 H1 TIP3 4118 -22.929 36.913 -26.357 1.00 0.00 WAT +ATOM 18664 H2 TIP3 4118 -24.296 36.284 -26.318 1.00 0.00 WAT +ATOM 18665 OH2 TIP3 4119 -5.739 32.541 -24.761 1.00 0.00 WAT +ATOM 18666 H1 TIP3 4119 -5.387 31.841 -25.341 1.00 0.00 WAT +ATOM 18667 H2 TIP3 4119 -5.758 33.309 -25.364 1.00 0.00 WAT +ATOM 18668 OH2 TIP3 4120 -8.285 34.327 -38.307 1.00 0.00 WAT +ATOM 18669 H1 TIP3 4120 -8.209 33.984 -37.400 1.00 0.00 WAT +ATOM 18670 H2 TIP3 4120 -9.039 33.801 -38.646 1.00 0.00 WAT +ATOM 18671 OH2 TIP3 4121 -23.092 35.472 -33.580 1.00 0.00 WAT +ATOM 18672 H1 TIP3 4121 -22.628 34.615 -33.535 1.00 0.00 WAT +ATOM 18673 H2 TIP3 4121 -22.394 36.070 -33.251 1.00 0.00 WAT +ATOM 18674 OH2 TIP3 4122 -24.548 38.155 -32.536 1.00 0.00 WAT +ATOM 18675 H1 TIP3 4122 -23.944 38.103 -33.295 1.00 0.00 WAT +ATOM 18676 H2 TIP3 4122 -24.203 38.931 -32.076 1.00 0.00 WAT +ATOM 18677 OH2 TIP3 4123 -6.406 34.564 -26.527 1.00 0.00 WAT +ATOM 18678 H1 TIP3 4123 -7.279 34.996 -26.465 1.00 0.00 WAT +ATOM 18679 H2 TIP3 4123 -6.543 34.028 -27.330 1.00 0.00 WAT +ATOM 18680 OH2 TIP3 4124 -6.276 34.742 -41.766 1.00 0.00 WAT +ATOM 18681 H1 TIP3 4124 -5.978 34.026 -42.334 1.00 0.00 WAT +ATOM 18682 H2 TIP3 4124 -5.459 35.261 -41.662 1.00 0.00 WAT +ATOM 18683 OH2 TIP3 4125 -24.041 34.496 -38.523 1.00 0.00 WAT +ATOM 18684 H1 TIP3 4125 -24.993 34.521 -38.719 1.00 0.00 WAT +ATOM 18685 H2 TIP3 4125 -23.659 35.089 -39.198 1.00 0.00 WAT +ATOM 18686 OH2 TIP3 4126 -23.999 33.378 -30.333 1.00 0.00 WAT +ATOM 18687 H1 TIP3 4126 -24.713 33.102 -29.744 1.00 0.00 WAT +ATOM 18688 H2 TIP3 4126 -24.489 33.891 -31.001 1.00 0.00 WAT +ATOM 18689 OH2 TIP3 4127 -7.523 32.812 -28.558 1.00 0.00 WAT +ATOM 18690 H1 TIP3 4127 -8.336 33.023 -29.051 1.00 0.00 WAT +ATOM 18691 H2 TIP3 4127 -7.332 31.910 -28.889 1.00 0.00 WAT +ATOM 18692 OH2 TIP3 4128 -14.096 34.298 -34.134 1.00 0.00 WAT +ATOM 18693 H1 TIP3 4128 -14.789 33.631 -33.950 1.00 0.00 WAT +ATOM 18694 H2 TIP3 4128 -13.526 33.809 -34.747 1.00 0.00 WAT +ATOM 18695 OH2 TIP3 4129 -9.156 32.298 -33.631 1.00 0.00 WAT +ATOM 18696 H1 TIP3 4129 -8.427 32.782 -34.055 1.00 0.00 WAT +ATOM 18697 H2 TIP3 4129 -9.931 32.589 -34.147 1.00 0.00 WAT +ATOM 18698 OH2 TIP3 4130 -7.060 33.403 -35.748 1.00 0.00 WAT +ATOM 18699 H1 TIP3 4130 -6.352 33.045 -36.306 1.00 0.00 WAT +ATOM 18700 H2 TIP3 4130 -6.781 34.336 -35.649 1.00 0.00 WAT +ATOM 18701 OH2 TIP3 4131 -21.698 32.924 -36.520 1.00 0.00 WAT +ATOM 18702 H1 TIP3 4131 -22.553 32.758 -36.961 1.00 0.00 WAT +ATOM 18703 H2 TIP3 4131 -21.225 32.086 -36.711 1.00 0.00 WAT +ATOM 18704 OH2 TIP3 4132 -23.004 32.577 -40.828 1.00 0.00 WAT +ATOM 18705 H1 TIP3 4132 -22.387 33.210 -41.261 1.00 0.00 WAT +ATOM 18706 H2 TIP3 4132 -23.297 33.095 -40.060 1.00 0.00 WAT +ATOM 18707 OH2 TIP3 4133 -17.361 33.067 -36.651 1.00 0.00 WAT +ATOM 18708 H1 TIP3 4133 -16.438 32.915 -36.911 1.00 0.00 WAT +ATOM 18709 H2 TIP3 4133 -17.467 32.396 -35.971 1.00 0.00 WAT +ATOM 18710 OH2 TIP3 4134 -11.614 32.866 -35.210 1.00 0.00 WAT +ATOM 18711 H1 TIP3 4134 -11.540 32.711 -36.161 1.00 0.00 WAT +ATOM 18712 H2 TIP3 4134 -12.072 32.051 -34.911 1.00 0.00 WAT +ATOM 18713 OH2 TIP3 4135 -10.631 32.852 -39.243 1.00 0.00 WAT +ATOM 18714 H1 TIP3 4135 -11.428 33.365 -39.475 1.00 0.00 WAT +ATOM 18715 H2 TIP3 4135 -11.021 31.969 -39.112 1.00 0.00 WAT +ATOM 18716 OH2 TIP3 4136 -21.299 34.273 -42.296 1.00 0.00 WAT +ATOM 18717 H1 TIP3 4136 -20.718 33.705 -42.816 1.00 0.00 WAT +ATOM 18718 H2 TIP3 4136 -20.650 34.802 -41.800 1.00 0.00 WAT +ATOM 18719 OH2 TIP3 4137 -16.194 34.451 -39.641 1.00 0.00 WAT +ATOM 18720 H1 TIP3 4137 -15.777 33.830 -39.020 1.00 0.00 WAT +ATOM 18721 H2 TIP3 4137 -15.945 35.296 -39.238 1.00 0.00 WAT +ATOM 18722 OH2 TIP3 4138 -21.965 33.229 -27.021 1.00 0.00 WAT +ATOM 18723 H1 TIP3 4138 -22.354 32.419 -26.649 1.00 0.00 WAT +ATOM 18724 H2 TIP3 4138 -21.041 33.131 -26.735 1.00 0.00 WAT +ATOM 18725 OH2 TIP3 4139 -19.652 32.632 -25.299 1.00 0.00 WAT +ATOM 18726 H1 TIP3 4139 -18.785 32.365 -25.667 1.00 0.00 WAT +ATOM 18727 H2 TIP3 4139 -19.922 31.806 -24.872 1.00 0.00 WAT +ATOM 18728 OH2 TIP3 4140 -11.465 31.704 -25.104 1.00 0.00 WAT +ATOM 18729 H1 TIP3 4140 -11.432 31.357 -24.190 1.00 0.00 WAT +ATOM 18730 H2 TIP3 4140 -10.521 31.709 -25.342 1.00 0.00 WAT +ATOM 18731 OH2 TIP3 4141 -2.643 40.829 -31.554 1.00 0.00 WAT +ATOM 18732 H1 TIP3 4141 -2.644 40.076 -30.937 1.00 0.00 WAT +ATOM 18733 H2 TIP3 4141 -1.865 41.312 -31.245 1.00 0.00 WAT +ATOM 18734 OH2 TIP3 4142 -4.918 38.840 -37.625 1.00 0.00 WAT +ATOM 18735 H1 TIP3 4142 -5.344 39.711 -37.538 1.00 0.00 WAT +ATOM 18736 H2 TIP3 4142 -5.609 38.338 -38.075 1.00 0.00 WAT +ATOM 18737 OH2 TIP3 4143 -3.987 41.358 -35.770 1.00 0.00 WAT +ATOM 18738 H1 TIP3 4143 -3.987 40.550 -35.223 1.00 0.00 WAT +ATOM 18739 H2 TIP3 4143 -3.163 41.229 -36.257 1.00 0.00 WAT +ATOM 18740 OH2 TIP3 4144 12.160 35.182 -31.962 1.00 0.00 WAT +ATOM 18741 H1 TIP3 4144 12.347 35.858 -31.291 1.00 0.00 WAT +ATOM 18742 H2 TIP3 4144 12.698 35.515 -32.704 1.00 0.00 WAT +ATOM 18743 OH2 TIP3 4145 6.783 38.006 -32.315 1.00 0.00 WAT +ATOM 18744 H1 TIP3 4145 6.862 37.041 -32.407 1.00 0.00 WAT +ATOM 18745 H2 TIP3 4145 6.416 38.281 -33.160 1.00 0.00 WAT +ATOM 18746 OH2 TIP3 4146 -0.285 36.042 -35.048 1.00 0.00 WAT +ATOM 18747 H1 TIP3 4146 -0.127 36.906 -35.484 1.00 0.00 WAT +ATOM 18748 H2 TIP3 4146 -0.654 35.549 -35.804 1.00 0.00 WAT +ATOM 18749 OH2 TIP3 4147 7.456 36.143 -36.720 1.00 0.00 WAT +ATOM 18750 H1 TIP3 4147 8.067 35.909 -35.997 1.00 0.00 WAT +ATOM 18751 H2 TIP3 4147 7.873 36.934 -37.081 1.00 0.00 WAT +ATOM 18752 OH2 TIP3 4148 -3.620 38.769 -34.529 1.00 0.00 WAT +ATOM 18753 H1 TIP3 4148 -2.966 38.316 -33.971 1.00 0.00 WAT +ATOM 18754 H2 TIP3 4148 -3.510 38.293 -35.372 1.00 0.00 WAT +ATOM 18755 OH2 TIP3 4149 1.769 40.182 -34.954 1.00 0.00 WAT +ATOM 18756 H1 TIP3 4149 2.596 39.718 -34.708 1.00 0.00 WAT +ATOM 18757 H2 TIP3 4149 1.323 39.511 -35.500 1.00 0.00 WAT +ATOM 18758 OH2 TIP3 4150 12.853 36.610 -29.491 1.00 0.00 WAT +ATOM 18759 H1 TIP3 4150 12.281 37.332 -29.809 1.00 0.00 WAT +ATOM 18760 H2 TIP3 4150 12.593 36.575 -28.562 1.00 0.00 WAT +ATOM 18761 OH2 TIP3 4151 -1.500 34.831 -30.880 1.00 0.00 WAT +ATOM 18762 H1 TIP3 4151 -1.877 35.355 -31.603 1.00 0.00 WAT +ATOM 18763 H2 TIP3 4151 -2.152 35.000 -30.171 1.00 0.00 WAT +ATOM 18764 OH2 TIP3 4152 1.124 42.760 -31.006 1.00 0.00 WAT +ATOM 18765 H1 TIP3 4152 0.371 43.341 -31.198 1.00 0.00 WAT +ATOM 18766 H2 TIP3 4152 1.852 43.301 -31.360 1.00 0.00 WAT +ATOM 18767 OH2 TIP3 4153 9.445 35.427 -34.694 1.00 0.00 WAT +ATOM 18768 H1 TIP3 4153 8.954 34.911 -34.043 1.00 0.00 WAT +ATOM 18769 H2 TIP3 4153 9.892 36.089 -34.136 1.00 0.00 WAT +ATOM 18770 OH2 TIP3 4154 -1.875 36.882 -32.942 1.00 0.00 WAT +ATOM 18771 H1 TIP3 4154 -1.233 37.461 -32.476 1.00 0.00 WAT +ATOM 18772 H2 TIP3 4154 -1.301 36.530 -33.658 1.00 0.00 WAT +ATOM 18773 OH2 TIP3 4155 9.534 34.613 -30.850 1.00 0.00 WAT +ATOM 18774 H1 TIP3 4155 8.764 35.016 -31.293 1.00 0.00 WAT +ATOM 18775 H2 TIP3 4155 10.251 34.809 -31.483 1.00 0.00 WAT +ATOM 18776 OH2 TIP3 4156 2.655 32.330 -33.810 1.00 0.00 WAT +ATOM 18777 H1 TIP3 4156 2.418 31.386 -33.854 1.00 0.00 WAT +ATOM 18778 H2 TIP3 4156 1.839 32.723 -33.433 1.00 0.00 WAT +ATOM 18779 OH2 TIP3 4157 4.656 41.226 -39.100 1.00 0.00 WAT +ATOM 18780 H1 TIP3 4157 4.119 41.942 -39.471 1.00 0.00 WAT +ATOM 18781 H2 TIP3 4157 5.506 41.356 -39.531 1.00 0.00 WAT +ATOM 18782 OH2 TIP3 4158 4.993 39.522 -42.092 1.00 0.00 WAT +ATOM 18783 H1 TIP3 4158 5.616 39.808 -41.402 1.00 0.00 WAT +ATOM 18784 H2 TIP3 4158 5.559 38.902 -42.601 1.00 0.00 WAT +ATOM 18785 OH2 TIP3 4159 12.169 40.559 -30.810 1.00 0.00 WAT +ATOM 18786 H1 TIP3 4159 11.500 41.267 -30.684 1.00 0.00 WAT +ATOM 18787 H2 TIP3 4159 12.665 40.956 -31.557 1.00 0.00 WAT +ATOM 18788 OH2 TIP3 4160 8.070 41.512 -37.925 1.00 0.00 WAT +ATOM 18789 H1 TIP3 4160 7.421 41.620 -37.198 1.00 0.00 WAT +ATOM 18790 H2 TIP3 4160 8.742 40.979 -37.468 1.00 0.00 WAT +ATOM 18791 OH2 TIP3 4161 8.030 39.823 -29.150 1.00 0.00 WAT +ATOM 18792 H1 TIP3 4161 8.068 40.625 -28.607 1.00 0.00 WAT +ATOM 18793 H2 TIP3 4161 7.503 40.172 -29.895 1.00 0.00 WAT +ATOM 18794 OH2 TIP3 4162 -0.240 41.975 -36.085 1.00 0.00 WAT +ATOM 18795 H1 TIP3 4162 -0.320 41.792 -37.037 1.00 0.00 WAT +ATOM 18796 H2 TIP3 4162 0.636 41.592 -35.895 1.00 0.00 WAT +ATOM 18797 OH2 TIP3 4163 0.376 40.725 -32.643 1.00 0.00 WAT +ATOM 18798 H1 TIP3 4163 0.964 40.697 -33.430 1.00 0.00 WAT +ATOM 18799 H2 TIP3 4163 0.759 41.453 -32.114 1.00 0.00 WAT +ATOM 18800 OH2 TIP3 4164 7.387 40.704 -40.526 1.00 0.00 WAT +ATOM 18801 H1 TIP3 4164 7.776 41.055 -39.696 1.00 0.00 WAT +ATOM 18802 H2 TIP3 4164 7.985 41.078 -41.206 1.00 0.00 WAT +ATOM 18803 OH2 TIP3 4165 -1.726 41.446 -28.819 1.00 0.00 WAT +ATOM 18804 H1 TIP3 4165 -1.614 42.103 -28.094 1.00 0.00 WAT +ATOM 18805 H2 TIP3 4165 -2.697 41.387 -28.855 1.00 0.00 WAT +ATOM 18806 OH2 TIP3 4166 10.779 32.363 -40.756 1.00 0.00 WAT +ATOM 18807 H1 TIP3 4166 9.828 32.471 -40.556 1.00 0.00 WAT +ATOM 18808 H2 TIP3 4166 11.012 33.263 -41.029 1.00 0.00 WAT +ATOM 18809 OH2 TIP3 4167 -1.239 40.845 -38.639 1.00 0.00 WAT +ATOM 18810 H1 TIP3 4167 -1.418 41.646 -39.178 1.00 0.00 WAT +ATOM 18811 H2 TIP3 4167 -1.913 40.237 -38.960 1.00 0.00 WAT +ATOM 18812 OH2 TIP3 4168 -5.282 43.104 -29.819 1.00 0.00 WAT +ATOM 18813 H1 TIP3 4168 -5.268 42.923 -30.772 1.00 0.00 WAT +ATOM 18814 H2 TIP3 4168 -4.947 42.263 -29.450 1.00 0.00 WAT +ATOM 18815 OH2 TIP3 4169 10.040 38.366 -26.774 1.00 0.00 WAT +ATOM 18816 H1 TIP3 4169 9.580 38.766 -27.526 1.00 0.00 WAT +ATOM 18817 H2 TIP3 4169 10.120 37.441 -27.076 1.00 0.00 WAT +ATOM 18818 OH2 TIP3 4170 0.236 33.461 -32.882 1.00 0.00 WAT +ATOM 18819 H1 TIP3 4170 -0.594 33.423 -33.392 1.00 0.00 WAT +ATOM 18820 H2 TIP3 4170 0.049 34.228 -32.318 1.00 0.00 WAT +ATOM 18821 OH2 TIP3 4171 4.611 33.061 -29.234 1.00 0.00 WAT +ATOM 18822 H1 TIP3 4171 5.127 32.519 -28.607 1.00 0.00 WAT +ATOM 18823 H2 TIP3 4171 3.701 32.727 -29.122 1.00 0.00 WAT +ATOM 18824 OH2 TIP3 4172 7.797 36.855 -28.694 1.00 0.00 WAT +ATOM 18825 H1 TIP3 4172 7.139 36.713 -27.990 1.00 0.00 WAT +ATOM 18826 H2 TIP3 4172 7.685 37.795 -28.926 1.00 0.00 WAT +ATOM 18827 OH2 TIP3 4173 9.355 41.452 -42.541 1.00 0.00 WAT +ATOM 18828 H1 TIP3 4173 9.137 41.568 -43.474 1.00 0.00 WAT +ATOM 18829 H2 TIP3 4173 9.787 42.304 -42.332 1.00 0.00 WAT +ATOM 18830 OH2 TIP3 4174 4.426 35.444 -42.166 1.00 0.00 WAT +ATOM 18831 H1 TIP3 4174 3.864 35.548 -41.390 1.00 0.00 WAT +ATOM 18832 H2 TIP3 4174 3.967 34.745 -42.644 1.00 0.00 WAT +ATOM 18833 OH2 TIP3 4175 0.083 38.248 -31.456 1.00 0.00 WAT +ATOM 18834 H1 TIP3 4175 -0.525 38.401 -30.714 1.00 0.00 WAT +ATOM 18835 H2 TIP3 4175 0.197 39.153 -31.825 1.00 0.00 WAT +ATOM 18836 OH2 TIP3 4176 0.035 38.303 -36.596 1.00 0.00 WAT +ATOM 18837 H1 TIP3 4176 -0.918 38.259 -36.782 1.00 0.00 WAT +ATOM 18838 H2 TIP3 4176 0.399 38.180 -37.493 1.00 0.00 WAT +ATOM 18839 OH2 TIP3 4177 5.704 38.706 -37.865 1.00 0.00 WAT +ATOM 18840 H1 TIP3 4177 5.411 39.633 -37.784 1.00 0.00 WAT +ATOM 18841 H2 TIP3 4177 6.347 38.757 -38.585 1.00 0.00 WAT +ATOM 18842 OH2 TIP3 4178 4.844 39.227 -26.334 1.00 0.00 WAT +ATOM 18843 H1 TIP3 4178 4.329 38.438 -26.078 1.00 0.00 WAT +ATOM 18844 H2 TIP3 4178 5.732 39.017 -26.003 1.00 0.00 WAT +ATOM 18845 OH2 TIP3 4179 -2.513 38.408 -29.690 1.00 0.00 WAT +ATOM 18846 H1 TIP3 4179 -2.311 38.796 -28.830 1.00 0.00 WAT +ATOM 18847 H2 TIP3 4179 -2.881 37.543 -29.437 1.00 0.00 WAT +ATOM 18848 OH2 TIP3 4180 1.149 35.757 -43.163 1.00 0.00 WAT +ATOM 18849 H1 TIP3 4180 0.822 35.586 -42.260 1.00 0.00 WAT +ATOM 18850 H2 TIP3 4180 0.442 36.344 -43.495 1.00 0.00 WAT +ATOM 18851 OH2 TIP3 4181 -5.725 35.883 -36.010 1.00 0.00 WAT +ATOM 18852 H1 TIP3 4181 -5.117 35.892 -35.247 1.00 0.00 WAT +ATOM 18853 H2 TIP3 4181 -5.183 35.519 -36.724 1.00 0.00 WAT +ATOM 18854 OH2 TIP3 4182 -4.161 36.329 -40.397 1.00 0.00 WAT +ATOM 18855 H1 TIP3 4182 -3.580 36.822 -41.012 1.00 0.00 WAT +ATOM 18856 H2 TIP3 4182 -4.820 37.012 -40.177 1.00 0.00 WAT +ATOM 18857 OH2 TIP3 4183 5.459 40.051 -30.583 1.00 0.00 WAT +ATOM 18858 H1 TIP3 4183 5.925 39.550 -31.276 1.00 0.00 WAT +ATOM 18859 H2 TIP3 4183 5.279 39.379 -29.920 1.00 0.00 WAT +ATOM 18860 OH2 TIP3 4184 2.785 35.855 -35.548 1.00 0.00 WAT +ATOM 18861 H1 TIP3 4184 1.845 35.924 -35.314 1.00 0.00 WAT +ATOM 18862 H2 TIP3 4184 3.200 35.797 -34.673 1.00 0.00 WAT +ATOM 18863 OH2 TIP3 4185 -2.661 37.126 -36.873 1.00 0.00 WAT +ATOM 18864 H1 TIP3 4185 -3.444 37.431 -37.364 1.00 0.00 WAT +ATOM 18865 H2 TIP3 4185 -2.335 36.375 -37.404 1.00 0.00 WAT +ATOM 18866 OH2 TIP3 4186 0.991 37.515 -39.259 1.00 0.00 WAT +ATOM 18867 H1 TIP3 4186 1.955 37.615 -39.156 1.00 0.00 WAT +ATOM 18868 H2 TIP3 4186 0.766 38.142 -39.969 1.00 0.00 WAT +ATOM 18869 OH2 TIP3 4187 7.192 35.068 -32.563 1.00 0.00 WAT +ATOM 18870 H1 TIP3 4187 6.557 35.107 -31.816 1.00 0.00 WAT +ATOM 18871 H2 TIP3 4187 6.605 34.720 -33.258 1.00 0.00 WAT +ATOM 18872 OH2 TIP3 4188 -0.442 38.659 -41.569 1.00 0.00 WAT +ATOM 18873 H1 TIP3 4188 -1.038 38.184 -42.168 1.00 0.00 WAT +ATOM 18874 H2 TIP3 4188 0.290 38.923 -42.148 1.00 0.00 WAT +ATOM 18875 OH2 TIP3 4189 -1.616 43.168 -26.779 1.00 0.00 WAT +ATOM 18876 H1 TIP3 4189 -1.048 43.649 -26.146 1.00 0.00 WAT +ATOM 18877 H2 TIP3 4189 -2.424 43.046 -26.235 1.00 0.00 WAT +ATOM 18878 OH2 TIP3 4190 3.832 38.351 -33.779 1.00 0.00 WAT +ATOM 18879 H1 TIP3 4190 4.522 37.991 -34.343 1.00 0.00 WAT +ATOM 18880 H2 TIP3 4190 3.849 37.792 -32.987 1.00 0.00 WAT +ATOM 18881 OH2 TIP3 4191 -0.877 34.903 -37.635 1.00 0.00 WAT +ATOM 18882 H1 TIP3 4191 -1.401 34.105 -37.465 1.00 0.00 WAT +ATOM 18883 H2 TIP3 4191 -0.037 34.545 -37.953 1.00 0.00 WAT +ATOM 18884 OH2 TIP3 4192 2.762 36.869 -31.478 1.00 0.00 WAT +ATOM 18885 H1 TIP3 4192 2.049 37.524 -31.562 1.00 0.00 WAT +ATOM 18886 H2 TIP3 4192 3.278 37.206 -30.722 1.00 0.00 WAT +ATOM 18887 OH2 TIP3 4193 2.822 43.486 -39.555 1.00 0.00 WAT +ATOM 18888 H1 TIP3 4193 2.173 42.885 -39.964 1.00 0.00 WAT +ATOM 18889 H2 TIP3 4193 2.781 43.266 -38.614 1.00 0.00 WAT +ATOM 18890 OH2 TIP3 4194 10.398 42.657 -30.938 1.00 0.00 WAT +ATOM 18891 H1 TIP3 4194 10.614 43.123 -31.768 1.00 0.00 WAT +ATOM 18892 H2 TIP3 4194 9.447 42.518 -31.106 1.00 0.00 WAT +ATOM 18893 OH2 TIP3 4195 7.088 36.082 -41.859 1.00 0.00 WAT +ATOM 18894 H1 TIP3 4195 6.109 36.067 -41.841 1.00 0.00 WAT +ATOM 18895 H2 TIP3 4195 7.326 36.828 -41.269 1.00 0.00 WAT +ATOM 18896 OH2 TIP3 4196 7.752 37.921 -39.937 1.00 0.00 WAT +ATOM 18897 H1 TIP3 4196 8.588 37.785 -39.450 1.00 0.00 WAT +ATOM 18898 H2 TIP3 4196 7.843 38.834 -40.269 1.00 0.00 WAT +ATOM 18899 OH2 TIP3 4197 -1.649 42.505 -33.865 1.00 0.00 WAT +ATOM 18900 H1 TIP3 4197 -1.094 42.380 -34.668 1.00 0.00 WAT +ATOM 18901 H2 TIP3 4197 -1.531 41.640 -33.440 1.00 0.00 WAT +ATOM 18902 OH2 TIP3 4198 -4.595 40.803 -28.558 1.00 0.00 WAT +ATOM 18903 H1 TIP3 4198 -4.515 40.428 -27.660 1.00 0.00 WAT +ATOM 18904 H2 TIP3 4198 -5.344 40.312 -28.935 1.00 0.00 WAT +ATOM 18905 OH2 TIP3 4199 2.289 40.480 -26.503 1.00 0.00 WAT +ATOM 18906 H1 TIP3 4199 1.941 40.286 -27.390 1.00 0.00 WAT +ATOM 18907 H2 TIP3 4199 3.236 40.285 -26.623 1.00 0.00 WAT +ATOM 18908 OH2 TIP3 4200 12.438 38.033 -39.995 1.00 0.00 WAT +ATOM 18909 H1 TIP3 4200 11.782 37.864 -40.704 1.00 0.00 WAT +ATOM 18910 H2 TIP3 4200 12.544 38.987 -40.152 1.00 0.00 WAT +ATOM 18911 OH2 TIP3 4201 7.788 41.624 -32.215 1.00 0.00 WAT +ATOM 18912 H1 TIP3 4201 6.917 41.746 -32.632 1.00 0.00 WAT +ATOM 18913 H2 TIP3 4201 8.292 41.373 -33.000 1.00 0.00 WAT +ATOM 18914 OH2 TIP3 4202 -3.480 40.840 -41.952 1.00 0.00 WAT +ATOM 18915 H1 TIP3 4202 -2.932 41.537 -41.564 1.00 0.00 WAT +ATOM 18916 H2 TIP3 4202 -4.385 41.117 -41.716 1.00 0.00 WAT +ATOM 18917 OH2 TIP3 4203 -3.367 35.654 -28.872 1.00 0.00 WAT +ATOM 18918 H1 TIP3 4203 -4.270 35.911 -29.148 1.00 0.00 WAT +ATOM 18919 H2 TIP3 4203 -3.520 34.770 -28.495 1.00 0.00 WAT +ATOM 18920 OH2 TIP3 4204 -1.924 -43.948 -40.095 1.00 0.00 WAT +ATOM 18921 H1 TIP3 4204 -2.814 -43.552 -40.023 1.00 0.00 WAT +ATOM 18922 H2 TIP3 4204 -1.409 -43.187 -40.402 1.00 0.00 WAT +ATOM 18923 OH2 TIP3 4205 5.603 35.512 -30.350 1.00 0.00 WAT +ATOM 18924 H1 TIP3 4205 6.241 35.750 -29.665 1.00 0.00 WAT +ATOM 18925 H2 TIP3 4205 5.109 34.772 -29.949 1.00 0.00 WAT +ATOM 18926 OH2 TIP3 4206 6.327 35.048 -39.104 1.00 0.00 WAT +ATOM 18927 H1 TIP3 4206 6.574 35.602 -39.860 1.00 0.00 WAT +ATOM 18928 H2 TIP3 4206 6.722 35.549 -38.362 1.00 0.00 WAT +ATOM 18929 OH2 TIP3 4207 3.648 36.894 -38.156 1.00 0.00 WAT +ATOM 18930 H1 TIP3 4207 4.429 37.488 -38.047 1.00 0.00 WAT +ATOM 18931 H2 TIP3 4207 3.377 36.780 -37.229 1.00 0.00 WAT +ATOM 18932 OH2 TIP3 4208 3.979 37.869 -28.950 1.00 0.00 WAT +ATOM 18933 H1 TIP3 4208 4.124 38.447 -28.186 1.00 0.00 WAT +ATOM 18934 H2 TIP3 4208 4.574 37.130 -28.781 1.00 0.00 WAT +ATOM 18935 OH2 TIP3 4209 4.300 33.957 -37.239 1.00 0.00 WAT +ATOM 18936 H1 TIP3 4209 4.073 34.656 -36.595 1.00 0.00 WAT +ATOM 18937 H2 TIP3 4209 5.035 34.392 -37.720 1.00 0.00 WAT +ATOM 18938 OH2 TIP3 4210 -0.000 35.016 -40.782 1.00 0.00 WAT +ATOM 18939 H1 TIP3 4210 -0.063 35.758 -40.156 1.00 0.00 WAT +ATOM 18940 H2 TIP3 4210 0.765 34.531 -40.423 1.00 0.00 WAT +ATOM 18941 OH2 TIP3 4211 10.304 35.830 -28.100 1.00 0.00 WAT +ATOM 18942 H1 TIP3 4211 9.353 35.997 -28.269 1.00 0.00 WAT +ATOM 18943 H2 TIP3 4211 10.569 35.618 -29.008 1.00 0.00 WAT +ATOM 18944 OH2 TIP3 4212 8.866 39.498 -34.326 1.00 0.00 WAT +ATOM 18945 H1 TIP3 4212 7.897 39.471 -34.368 1.00 0.00 WAT +ATOM 18946 H2 TIP3 4212 9.105 38.817 -33.673 1.00 0.00 WAT +ATOM 18947 OH2 TIP3 4213 -3.419 38.068 -42.567 1.00 0.00 WAT +ATOM 18948 H1 TIP3 4213 -3.268 39.021 -42.397 1.00 0.00 WAT +ATOM 18949 H2 TIP3 4213 -4.335 38.082 -42.893 1.00 0.00 WAT +ATOM 18950 OH2 TIP3 4214 -2.530 33.032 -33.708 1.00 0.00 WAT +ATOM 18951 H1 TIP3 4214 -2.735 33.035 -34.665 1.00 0.00 WAT +ATOM 18952 H2 TIP3 4214 -2.900 32.181 -33.408 1.00 0.00 WAT +ATOM 18953 OH2 TIP3 4215 -4.055 43.070 -25.656 1.00 0.00 WAT +ATOM 18954 H1 TIP3 4215 -4.271 42.120 -25.622 1.00 0.00 WAT +ATOM 18955 H2 TIP3 4215 -4.877 43.498 -25.905 1.00 0.00 WAT +ATOM 18956 OH2 TIP3 4216 1.828 43.283 -26.093 1.00 0.00 WAT +ATOM 18957 H1 TIP3 4216 1.860 43.502 -27.050 1.00 0.00 WAT +ATOM 18958 H2 TIP3 4216 2.190 42.376 -26.090 1.00 0.00 WAT +ATOM 18959 OH2 TIP3 4217 7.866 -43.764 -28.347 1.00 0.00 WAT +ATOM 18960 H1 TIP3 4217 8.645 -43.324 -28.716 1.00 0.00 WAT +ATOM 18961 H2 TIP3 4217 7.165 -43.147 -28.597 1.00 0.00 WAT +ATOM 18962 OH2 TIP3 4218 -3.486 40.243 -25.927 1.00 0.00 WAT +ATOM 18963 H1 TIP3 4218 -2.710 39.661 -25.994 1.00 0.00 WAT +ATOM 18964 H2 TIP3 4218 -3.480 40.450 -24.975 1.00 0.00 WAT +ATOM 18965 OH2 TIP3 4219 1.049 41.592 -40.886 1.00 0.00 WAT +ATOM 18966 H1 TIP3 4219 0.431 41.191 -40.263 1.00 0.00 WAT +ATOM 18967 H2 TIP3 4219 1.320 40.837 -41.434 1.00 0.00 WAT +ATOM 18968 OH2 TIP3 4220 0.249 39.340 -28.507 1.00 0.00 WAT +ATOM 18969 H1 TIP3 4220 -0.333 40.114 -28.381 1.00 0.00 WAT +ATOM 18970 H2 TIP3 4220 0.866 39.673 -29.182 1.00 0.00 WAT +ATOM 18971 OH2 TIP3 4221 2.191 39.562 -42.701 1.00 0.00 WAT +ATOM 18972 H1 TIP3 4221 2.203 39.491 -43.665 1.00 0.00 WAT +ATOM 18973 H2 TIP3 4221 3.149 39.649 -42.505 1.00 0.00 WAT +ATOM 18974 OH2 TIP3 4222 5.557 42.160 -24.945 1.00 0.00 WAT +ATOM 18975 H1 TIP3 4222 6.392 41.959 -25.380 1.00 0.00 WAT +ATOM 18976 H2 TIP3 4222 5.172 41.294 -24.794 1.00 0.00 WAT +ATOM 18977 OH2 TIP3 4223 0.829 36.641 -27.412 1.00 0.00 WAT +ATOM 18978 H1 TIP3 4223 0.881 35.984 -28.130 1.00 0.00 WAT +ATOM 18979 H2 TIP3 4223 0.626 37.454 -27.910 1.00 0.00 WAT +ATOM 18980 OH2 TIP3 4224 1.141 35.080 -29.974 1.00 0.00 WAT +ATOM 18981 H1 TIP3 4224 1.665 35.640 -30.585 1.00 0.00 WAT +ATOM 18982 H2 TIP3 4224 0.234 35.150 -30.333 1.00 0.00 WAT +ATOM 18983 OH2 TIP3 4225 2.683 40.671 -29.660 1.00 0.00 WAT +ATOM 18984 H1 TIP3 4225 3.519 40.561 -30.154 1.00 0.00 WAT +ATOM 18985 H2 TIP3 4225 2.327 41.486 -30.046 1.00 0.00 WAT +ATOM 18986 OH2 TIP3 4226 7.313 38.370 -24.656 1.00 0.00 WAT +ATOM 18987 H1 TIP3 4226 7.609 37.488 -24.914 1.00 0.00 WAT +ATOM 18988 H2 TIP3 4226 8.126 38.887 -24.783 1.00 0.00 WAT +ATOM 18989 OH2 TIP3 4227 8.204 41.361 -26.380 1.00 0.00 WAT +ATOM 18990 H1 TIP3 4227 7.984 42.072 -27.026 1.00 0.00 WAT +ATOM 18991 H2 TIP3 4227 9.110 41.158 -26.666 1.00 0.00 WAT +ATOM 18992 OH2 TIP3 4228 -1.016 38.492 -25.589 1.00 0.00 WAT +ATOM 18993 H1 TIP3 4228 -1.529 37.664 -25.635 1.00 0.00 WAT +ATOM 18994 H2 TIP3 4228 -0.218 38.257 -26.086 1.00 0.00 WAT +ATOM 18995 OH2 TIP3 4229 1.857 32.426 -29.597 1.00 0.00 WAT +ATOM 18996 H1 TIP3 4229 1.696 33.380 -29.775 1.00 0.00 WAT +ATOM 18997 H2 TIP3 4229 1.166 32.016 -30.151 1.00 0.00 WAT +ATOM 18998 OH2 TIP3 4230 3.150 36.970 -25.801 1.00 0.00 WAT +ATOM 18999 H1 TIP3 4230 2.702 36.816 -24.950 1.00 0.00 WAT +ATOM 19000 H2 TIP3 4230 2.388 36.819 -26.401 1.00 0.00 WAT +ATOM 19001 OH2 TIP3 4231 5.699 36.070 -26.929 1.00 0.00 WAT +ATOM 19002 H1 TIP3 4231 4.786 36.119 -26.586 1.00 0.00 WAT +ATOM 19003 H2 TIP3 4231 6.106 35.440 -26.310 1.00 0.00 WAT +ATOM 19004 OH2 TIP3 4232 7.507 34.654 -24.917 1.00 0.00 WAT +ATOM 19005 H1 TIP3 4232 7.350 33.689 -24.992 1.00 0.00 WAT +ATOM 19006 H2 TIP3 4232 7.096 34.863 -24.072 1.00 0.00 WAT +ATOM 19007 OH2 TIP3 4233 -2.296 35.939 -25.782 1.00 0.00 WAT +ATOM 19008 H1 TIP3 4233 -2.403 35.254 -26.461 1.00 0.00 WAT +ATOM 19009 H2 TIP3 4233 -2.555 35.460 -24.973 1.00 0.00 WAT +ATOM 19010 OH2 TIP3 4234 1.712 31.915 -26.778 1.00 0.00 WAT +ATOM 19011 H1 TIP3 4234 2.325 31.162 -26.758 1.00 0.00 WAT +ATOM 19012 H2 TIP3 4234 1.660 32.081 -27.741 1.00 0.00 WAT +ATOM 19013 OH2 TIP3 4235 2.665 33.790 -24.900 1.00 0.00 WAT +ATOM 19014 H1 TIP3 4235 2.371 33.208 -25.629 1.00 0.00 WAT +ATOM 19015 H2 TIP3 4235 1.981 34.481 -24.899 1.00 0.00 WAT +ATOM 19016 OH2 TIP3 4236 12.101 43.677 -38.873 1.00 0.00 WAT +ATOM 19017 H1 TIP3 4236 13.029 43.570 -39.106 1.00 0.00 WAT +ATOM 19018 H2 TIP3 4236 11.851 42.804 -38.533 1.00 0.00 WAT +ATOM 19019 OH2 TIP3 4237 12.422 41.280 -37.332 1.00 0.00 WAT +ATOM 19020 H1 TIP3 4237 11.615 40.867 -36.954 1.00 0.00 WAT +ATOM 19021 H2 TIP3 4237 12.930 41.525 -36.540 1.00 0.00 WAT +ATOM 19022 OH2 TIP3 4238 12.602 41.085 -41.080 1.00 0.00 WAT +ATOM 19023 H1 TIP3 4238 11.943 41.379 -41.728 1.00 0.00 WAT +ATOM 19024 H2 TIP3 4238 12.408 41.691 -40.357 1.00 0.00 WAT +ATOM 19025 OH2 TIP3 4239 10.839 38.481 -42.116 1.00 0.00 WAT +ATOM 19026 H1 TIP3 4239 11.074 39.206 -42.717 1.00 0.00 WAT +ATOM 19027 H2 TIP3 4239 11.140 37.709 -42.603 1.00 0.00 WAT +ATOM 19028 OH2 TIP3 4240 10.206 39.671 -36.626 1.00 0.00 WAT +ATOM 19029 H1 TIP3 4240 10.082 38.723 -36.792 1.00 0.00 WAT +ATOM 19030 H2 TIP3 4240 9.758 39.752 -35.749 1.00 0.00 WAT +ATOM 19031 OH2 TIP3 4241 -4.994 41.891 -32.597 1.00 0.00 WAT +ATOM 19032 H1 TIP3 4241 -4.897 42.023 -33.552 1.00 0.00 WAT +ATOM 19033 H2 TIP3 4241 -4.092 41.603 -32.339 1.00 0.00 WAT +ATOM 19034 OH2 TIP3 4242 11.014 41.586 -27.437 1.00 0.00 WAT +ATOM 19035 H1 TIP3 4242 11.731 41.019 -27.090 1.00 0.00 WAT +ATOM 19036 H2 TIP3 4242 11.424 42.453 -27.599 1.00 0.00 WAT +ATOM 19037 OH2 TIP3 4243 12.400 39.669 -26.161 1.00 0.00 WAT +ATOM 19038 H1 TIP3 4243 11.601 39.142 -26.373 1.00 0.00 WAT +ATOM 19039 H2 TIP3 4243 13.092 38.985 -26.146 1.00 0.00 WAT +ATOM 19040 OH2 TIP3 4244 10.055 35.428 -43.254 1.00 0.00 WAT +ATOM 19041 H1 TIP3 4244 10.604 35.056 -42.558 1.00 0.00 WAT +ATOM 19042 H2 TIP3 4244 9.218 34.934 -43.183 1.00 0.00 WAT +ATOM 19043 OH2 TIP3 4245 10.071 37.118 -38.347 1.00 0.00 WAT +ATOM 19044 H1 TIP3 4245 10.292 36.167 -38.261 1.00 0.00 WAT +ATOM 19045 H2 TIP3 4245 10.895 37.469 -38.716 1.00 0.00 WAT +ATOM 19046 OH2 TIP3 4246 10.340 37.559 -32.873 1.00 0.00 WAT +ATOM 19047 H1 TIP3 4246 11.283 37.803 -32.925 1.00 0.00 WAT +ATOM 19048 H2 TIP3 4246 10.162 37.724 -31.934 1.00 0.00 WAT +ATOM 19049 OH2 TIP3 4247 10.506 38.397 -30.014 1.00 0.00 WAT +ATOM 19050 H1 TIP3 4247 9.624 38.773 -29.832 1.00 0.00 WAT +ATOM 19051 H2 TIP3 4247 11.004 39.194 -30.287 1.00 0.00 WAT +ATOM 19052 OH2 TIP3 4248 -5.005 37.165 -26.361 1.00 0.00 WAT +ATOM 19053 H1 TIP3 4248 -4.073 36.894 -26.382 1.00 0.00 WAT +ATOM 19054 H2 TIP3 4248 -5.458 36.305 -26.320 1.00 0.00 WAT +ATOM 19055 OH2 TIP3 4249 13.057 32.526 -24.776 1.00 0.00 WAT +ATOM 19056 H1 TIP3 4249 13.487 31.833 -25.313 1.00 0.00 WAT +ATOM 19057 H2 TIP3 4249 13.102 33.298 -25.374 1.00 0.00 WAT +ATOM 19058 OH2 TIP3 4250 10.601 34.303 -38.313 1.00 0.00 WAT +ATOM 19059 H1 TIP3 4250 10.633 34.000 -37.391 1.00 0.00 WAT +ATOM 19060 H2 TIP3 4250 9.819 33.816 -38.644 1.00 0.00 WAT +ATOM 19061 OH2 TIP3 4251 -4.223 35.473 -33.599 1.00 0.00 WAT +ATOM 19062 H1 TIP3 4251 -3.759 34.624 -33.507 1.00 0.00 WAT +ATOM 19063 H2 TIP3 4251 -3.546 36.086 -33.255 1.00 0.00 WAT +ATOM 19064 OH2 TIP3 4252 -5.677 38.142 -32.527 1.00 0.00 WAT +ATOM 19065 H1 TIP3 4252 -5.090 38.124 -33.301 1.00 0.00 WAT +ATOM 19066 H2 TIP3 4252 -5.357 38.931 -32.070 1.00 0.00 WAT +ATOM 19067 OH2 TIP3 4253 12.452 34.579 -26.532 1.00 0.00 WAT +ATOM 19068 H1 TIP3 4253 11.574 35.001 -26.502 1.00 0.00 WAT +ATOM 19069 H2 TIP3 4253 12.340 34.025 -27.327 1.00 0.00 WAT +ATOM 19070 OH2 TIP3 4254 12.600 34.705 -41.729 1.00 0.00 WAT +ATOM 19071 H1 TIP3 4254 12.839 34.029 -42.369 1.00 0.00 WAT +ATOM 19072 H2 TIP3 4254 13.409 35.241 -41.688 1.00 0.00 WAT +ATOM 19073 OH2 TIP3 4255 -5.179 34.444 -38.559 1.00 0.00 WAT +ATOM 19074 H1 TIP3 4255 -6.137 34.515 -38.710 1.00 0.00 WAT +ATOM 19075 H2 TIP3 4255 -4.808 35.085 -39.197 1.00 0.00 WAT +ATOM 19076 OH2 TIP3 4256 -5.149 33.354 -30.352 1.00 0.00 WAT +ATOM 19077 H1 TIP3 4256 -5.859 33.112 -29.741 1.00 0.00 WAT +ATOM 19078 H2 TIP3 4256 -5.636 33.901 -30.997 1.00 0.00 WAT +ATOM 19079 OH2 TIP3 4257 11.306 32.795 -28.533 1.00 0.00 WAT +ATOM 19080 H1 TIP3 4257 10.525 33.018 -29.069 1.00 0.00 WAT +ATOM 19081 H2 TIP3 4257 11.529 31.906 -28.880 1.00 0.00 WAT +ATOM 19082 OH2 TIP3 4258 4.779 34.267 -34.021 1.00 0.00 WAT +ATOM 19083 H1 TIP3 4258 4.053 33.617 -33.959 1.00 0.00 WAT +ATOM 19084 H2 TIP3 4258 5.337 33.879 -34.711 1.00 0.00 WAT +ATOM 19085 OH2 TIP3 4259 9.698 32.298 -33.640 1.00 0.00 WAT +ATOM 19086 H1 TIP3 4259 10.448 32.779 -34.034 1.00 0.00 WAT +ATOM 19087 H2 TIP3 4259 8.944 32.633 -34.158 1.00 0.00 WAT +ATOM 19088 OH2 TIP3 4260 11.807 33.393 -35.723 1.00 0.00 WAT +ATOM 19089 H1 TIP3 4260 12.501 33.039 -36.304 1.00 0.00 WAT +ATOM 19090 H2 TIP3 4260 12.058 34.334 -35.654 1.00 0.00 WAT +ATOM 19091 OH2 TIP3 4261 -2.904 33.010 -36.511 1.00 0.00 WAT +ATOM 19092 H1 TIP3 4261 -3.755 32.893 -36.976 1.00 0.00 WAT +ATOM 19093 H2 TIP3 4261 -2.467 32.161 -36.691 1.00 0.00 WAT +ATOM 19094 OH2 TIP3 4262 -4.147 32.563 -40.827 1.00 0.00 WAT +ATOM 19095 H1 TIP3 4262 -3.540 33.199 -41.271 1.00 0.00 WAT +ATOM 19096 H2 TIP3 4262 -4.461 33.096 -40.076 1.00 0.00 WAT +ATOM 19097 OH2 TIP3 4263 1.571 32.787 -36.653 1.00 0.00 WAT +ATOM 19098 H1 TIP3 4263 2.446 33.181 -36.808 1.00 0.00 WAT +ATOM 19099 H2 TIP3 4263 1.554 32.764 -35.689 1.00 0.00 WAT +ATOM 19100 OH2 TIP3 4264 7.210 32.859 -35.215 1.00 0.00 WAT +ATOM 19101 H1 TIP3 4264 7.403 32.780 -36.160 1.00 0.00 WAT +ATOM 19102 H2 TIP3 4264 6.775 32.011 -35.019 1.00 0.00 WAT +ATOM 19103 OH2 TIP3 4265 8.252 32.836 -39.217 1.00 0.00 WAT +ATOM 19104 H1 TIP3 4265 7.480 33.396 -39.423 1.00 0.00 WAT +ATOM 19105 H2 TIP3 4265 7.853 31.948 -39.223 1.00 0.00 WAT +ATOM 19106 OH2 TIP3 4266 -2.438 34.238 -42.282 1.00 0.00 WAT +ATOM 19107 H1 TIP3 4266 -1.833 33.738 -42.845 1.00 0.00 WAT +ATOM 19108 H2 TIP3 4266 -1.813 34.811 -41.804 1.00 0.00 WAT +ATOM 19109 OH2 TIP3 4267 2.678 34.437 -39.583 1.00 0.00 WAT +ATOM 19110 H1 TIP3 4267 3.116 33.951 -38.866 1.00 0.00 WAT +ATOM 19111 H2 TIP3 4267 2.908 35.343 -39.315 1.00 0.00 WAT +ATOM 19112 OH2 TIP3 4268 -3.113 33.241 -27.010 1.00 0.00 WAT +ATOM 19113 H1 TIP3 4268 -3.507 32.428 -26.647 1.00 0.00 WAT +ATOM 19114 H2 TIP3 4268 -2.186 33.134 -26.744 1.00 0.00 WAT +ATOM 19115 OH2 TIP3 4269 -0.706 32.646 -25.242 1.00 0.00 WAT +ATOM 19116 H1 TIP3 4269 0.107 32.305 -25.665 1.00 0.00 WAT +ATOM 19117 H2 TIP3 4269 -1.080 31.836 -24.861 1.00 0.00 WAT +ATOM 19118 OH2 TIP3 4270 7.412 31.846 -25.082 1.00 0.00 WAT +ATOM 19119 H1 TIP3 4270 7.445 31.373 -24.229 1.00 0.00 WAT +ATOM 19120 H2 TIP3 4270 8.344 31.787 -25.367 1.00 0.00 WAT +ATOM 19121 OH2 TIP3 4271 24.993 42.040 -36.473 1.00 0.00 WAT +ATOM 19122 H1 TIP3 4271 24.672 42.950 -36.452 1.00 0.00 WAT +ATOM 19123 H2 TIP3 4271 24.255 41.598 -36.920 1.00 0.00 WAT +ATOM 19124 OH2 TIP3 4272 23.804 41.320 -33.176 1.00 0.00 WAT +ATOM 19125 H1 TIP3 4272 23.820 40.795 -32.360 1.00 0.00 WAT +ATOM 19126 H2 TIP3 4272 23.527 40.673 -33.835 1.00 0.00 WAT +ATOM 19127 OH2 TIP3 4273 16.241 40.817 -31.581 1.00 0.00 WAT +ATOM 19128 H1 TIP3 4273 16.210 40.073 -30.954 1.00 0.00 WAT +ATOM 19129 H2 TIP3 4273 16.965 41.336 -31.208 1.00 0.00 WAT +ATOM 19130 OH2 TIP3 4274 13.953 38.870 -37.625 1.00 0.00 WAT +ATOM 19131 H1 TIP3 4274 13.480 39.718 -37.533 1.00 0.00 WAT +ATOM 19132 H2 TIP3 4274 13.266 38.324 -38.031 1.00 0.00 WAT +ATOM 19133 OH2 TIP3 4275 14.924 41.382 -35.739 1.00 0.00 WAT +ATOM 19134 H1 TIP3 4275 14.867 40.561 -35.212 1.00 0.00 WAT +ATOM 19135 H2 TIP3 4275 15.665 41.159 -36.313 1.00 0.00 WAT +ATOM 19136 OH2 TIP3 4276 30.885 35.275 -32.009 1.00 0.00 WAT +ATOM 19137 H1 TIP3 4276 31.191 35.826 -31.273 1.00 0.00 WAT +ATOM 19138 H2 TIP3 4276 31.627 35.413 -32.633 1.00 0.00 WAT +ATOM 19139 OH2 TIP3 4277 25.612 38.039 -32.112 1.00 0.00 WAT +ATOM 19140 H1 TIP3 4277 25.750 37.078 -32.069 1.00 0.00 WAT +ATOM 19141 H2 TIP3 4277 25.514 38.176 -33.066 1.00 0.00 WAT +ATOM 19142 OH2 TIP3 4278 18.589 36.051 -35.054 1.00 0.00 WAT +ATOM 19143 H1 TIP3 4278 18.714 36.910 -35.505 1.00 0.00 WAT +ATOM 19144 H2 TIP3 4278 18.211 35.535 -35.792 1.00 0.00 WAT +ATOM 19145 OH2 TIP3 4279 26.411 36.209 -36.747 1.00 0.00 WAT +ATOM 19146 H1 TIP3 4279 26.984 35.772 -36.081 1.00 0.00 WAT +ATOM 19147 H2 TIP3 4279 27.078 36.649 -37.294 1.00 0.00 WAT +ATOM 19148 OH2 TIP3 4280 15.262 38.795 -34.539 1.00 0.00 WAT +ATOM 19149 H1 TIP3 4280 15.873 38.303 -33.968 1.00 0.00 WAT +ATOM 19150 H2 TIP3 4280 15.329 38.294 -35.371 1.00 0.00 WAT +ATOM 19151 OH2 TIP3 4281 20.681 40.187 -35.067 1.00 0.00 WAT +ATOM 19152 H1 TIP3 4281 21.346 39.596 -34.660 1.00 0.00 WAT +ATOM 19153 H2 TIP3 4281 20.125 39.544 -35.549 1.00 0.00 WAT +ATOM 19154 OH2 TIP3 4282 31.719 36.622 -29.490 1.00 0.00 WAT +ATOM 19155 H1 TIP3 4282 31.112 37.318 -29.802 1.00 0.00 WAT +ATOM 19156 H2 TIP3 4282 31.444 36.544 -28.568 1.00 0.00 WAT +ATOM 19157 OH2 TIP3 4283 17.373 34.842 -30.882 1.00 0.00 WAT +ATOM 19158 H1 TIP3 4283 16.975 35.352 -31.604 1.00 0.00 WAT +ATOM 19159 H2 TIP3 4283 16.716 34.989 -30.173 1.00 0.00 WAT +ATOM 19160 OH2 TIP3 4284 20.081 42.674 -31.111 1.00 0.00 WAT +ATOM 19161 H1 TIP3 4284 19.267 43.200 -31.076 1.00 0.00 WAT +ATOM 19162 H2 TIP3 4284 20.733 43.385 -31.173 1.00 0.00 WAT +ATOM 19163 OH2 TIP3 4285 28.264 35.457 -34.701 1.00 0.00 WAT +ATOM 19164 H1 TIP3 4285 27.869 34.870 -34.044 1.00 0.00 WAT +ATOM 19165 H2 TIP3 4285 28.787 36.056 -34.140 1.00 0.00 WAT +ATOM 19166 OH2 TIP3 4286 16.982 36.880 -32.943 1.00 0.00 WAT +ATOM 19167 H1 TIP3 4286 17.621 37.459 -32.477 1.00 0.00 WAT +ATOM 19168 H2 TIP3 4286 17.557 36.522 -33.654 1.00 0.00 WAT +ATOM 19169 OH2 TIP3 4287 28.373 34.612 -30.842 1.00 0.00 WAT +ATOM 19170 H1 TIP3 4287 27.604 35.000 -31.301 1.00 0.00 WAT +ATOM 19171 H2 TIP3 4287 29.103 34.818 -31.460 1.00 0.00 WAT +ATOM 19172 OH2 TIP3 4288 21.516 32.336 -33.806 1.00 0.00 WAT +ATOM 19173 H1 TIP3 4288 21.288 31.388 -33.849 1.00 0.00 WAT +ATOM 19174 H2 TIP3 4288 20.695 32.719 -33.429 1.00 0.00 WAT +ATOM 19175 OH2 TIP3 4289 23.537 41.398 -39.088 1.00 0.00 WAT +ATOM 19176 H1 TIP3 4289 22.887 41.833 -39.660 1.00 0.00 WAT +ATOM 19177 H2 TIP3 4289 24.300 41.347 -39.685 1.00 0.00 WAT +ATOM 19178 OH2 TIP3 4290 23.864 39.513 -42.030 1.00 0.00 WAT +ATOM 19179 H1 TIP3 4290 24.573 39.813 -41.439 1.00 0.00 WAT +ATOM 19180 H2 TIP3 4290 24.368 38.898 -42.608 1.00 0.00 WAT +ATOM 19181 OH2 TIP3 4291 31.033 40.575 -30.788 1.00 0.00 WAT +ATOM 19182 H1 TIP3 4291 30.355 41.277 -30.684 1.00 0.00 WAT +ATOM 19183 H2 TIP3 4291 31.519 40.943 -31.555 1.00 0.00 WAT +ATOM 19184 OH2 TIP3 4292 27.205 41.406 -38.072 1.00 0.00 WAT +ATOM 19185 H1 TIP3 4292 26.542 41.614 -37.383 1.00 0.00 WAT +ATOM 19186 H2 TIP3 4292 27.857 40.887 -37.565 1.00 0.00 WAT +ATOM 19187 OH2 TIP3 4293 26.942 39.817 -29.116 1.00 0.00 WAT +ATOM 19188 H1 TIP3 4293 26.962 40.609 -28.556 1.00 0.00 WAT +ATOM 19189 H2 TIP3 4293 26.364 40.145 -29.829 1.00 0.00 WAT +ATOM 19190 OH2 TIP3 4294 18.718 42.053 -36.108 1.00 0.00 WAT +ATOM 19191 H1 TIP3 4294 18.518 41.787 -37.024 1.00 0.00 WAT +ATOM 19192 H2 TIP3 4294 19.513 41.529 -35.915 1.00 0.00 WAT +ATOM 19193 OH2 TIP3 4295 19.289 40.662 -32.692 1.00 0.00 WAT +ATOM 19194 H1 TIP3 4295 19.855 40.741 -33.485 1.00 0.00 WAT +ATOM 19195 H2 TIP3 4295 19.588 41.420 -32.146 1.00 0.00 WAT +ATOM 19196 OH2 TIP3 4296 26.178 40.779 -40.555 1.00 0.00 WAT +ATOM 19197 H1 TIP3 4296 26.687 41.018 -39.747 1.00 0.00 WAT +ATOM 19198 H2 TIP3 4296 26.793 41.088 -41.257 1.00 0.00 WAT +ATOM 19199 OH2 TIP3 4297 17.132 41.468 -28.839 1.00 0.00 WAT +ATOM 19200 H1 TIP3 4297 17.240 42.104 -28.095 1.00 0.00 WAT +ATOM 19201 H2 TIP3 4297 16.162 41.393 -28.864 1.00 0.00 WAT +ATOM 19202 OH2 TIP3 4298 29.645 32.411 -40.806 1.00 0.00 WAT +ATOM 19203 H1 TIP3 4298 28.706 32.502 -40.560 1.00 0.00 WAT +ATOM 19204 H2 TIP3 4298 29.879 33.331 -41.002 1.00 0.00 WAT +ATOM 19205 OH2 TIP3 4299 17.628 40.868 -38.613 1.00 0.00 WAT +ATOM 19206 H1 TIP3 4299 17.417 41.659 -39.156 1.00 0.00 WAT +ATOM 19207 H2 TIP3 4299 16.967 40.236 -38.923 1.00 0.00 WAT +ATOM 19208 OH2 TIP3 4300 13.614 43.096 -29.810 1.00 0.00 WAT +ATOM 19209 H1 TIP3 4300 13.566 42.922 -30.763 1.00 0.00 WAT +ATOM 19210 H2 TIP3 4300 13.910 42.234 -29.460 1.00 0.00 WAT +ATOM 19211 OH2 TIP3 4301 28.926 38.386 -26.779 1.00 0.00 WAT +ATOM 19212 H1 TIP3 4301 28.420 38.748 -27.521 1.00 0.00 WAT +ATOM 19213 H2 TIP3 4301 28.981 37.445 -27.038 1.00 0.00 WAT +ATOM 19214 OH2 TIP3 4302 19.096 33.481 -32.889 1.00 0.00 WAT +ATOM 19215 H1 TIP3 4302 18.268 33.419 -33.400 1.00 0.00 WAT +ATOM 19216 H2 TIP3 4302 18.872 34.218 -32.299 1.00 0.00 WAT +ATOM 19217 OH2 TIP3 4303 23.463 33.063 -29.244 1.00 0.00 WAT +ATOM 19218 H1 TIP3 4303 23.988 32.535 -28.611 1.00 0.00 WAT +ATOM 19219 H2 TIP3 4303 22.557 32.724 -29.116 1.00 0.00 WAT +ATOM 19220 OH2 TIP3 4304 26.637 36.856 -28.709 1.00 0.00 WAT +ATOM 19221 H1 TIP3 4304 26.007 36.699 -27.980 1.00 0.00 WAT +ATOM 19222 H2 TIP3 4304 26.534 37.806 -28.893 1.00 0.00 WAT +ATOM 19223 OH2 TIP3 4305 28.155 41.462 -42.510 1.00 0.00 WAT +ATOM 19224 H1 TIP3 4305 27.993 41.532 -43.459 1.00 0.00 WAT +ATOM 19225 H2 TIP3 4305 28.631 42.298 -42.333 1.00 0.00 WAT +ATOM 19226 OH2 TIP3 4306 23.293 35.448 -42.158 1.00 0.00 WAT +ATOM 19227 H1 TIP3 4306 22.729 35.510 -41.377 1.00 0.00 WAT +ATOM 19228 H2 TIP3 4306 22.837 34.763 -42.661 1.00 0.00 WAT +ATOM 19229 OH2 TIP3 4307 18.962 38.237 -31.439 1.00 0.00 WAT +ATOM 19230 H1 TIP3 4307 18.330 38.376 -30.713 1.00 0.00 WAT +ATOM 19231 H2 TIP3 4307 19.043 39.140 -31.825 1.00 0.00 WAT +ATOM 19232 OH2 TIP3 4308 18.893 38.348 -36.609 1.00 0.00 WAT +ATOM 19233 H1 TIP3 4308 17.935 38.257 -36.767 1.00 0.00 WAT +ATOM 19234 H2 TIP3 4308 19.234 38.157 -37.506 1.00 0.00 WAT +ATOM 19235 OH2 TIP3 4309 24.594 38.967 -37.839 1.00 0.00 WAT +ATOM 19236 H1 TIP3 4309 24.118 39.721 -38.231 1.00 0.00 WAT +ATOM 19237 H2 TIP3 4309 25.209 38.722 -38.554 1.00 0.00 WAT +ATOM 19238 OH2 TIP3 4310 23.700 39.220 -26.368 1.00 0.00 WAT +ATOM 19239 H1 TIP3 4310 23.190 38.442 -26.069 1.00 0.00 WAT +ATOM 19240 H2 TIP3 4310 24.587 39.031 -26.009 1.00 0.00 WAT +ATOM 19241 OH2 TIP3 4311 25.343 38.294 -35.067 1.00 0.00 WAT +ATOM 19242 H1 TIP3 4311 25.094 38.844 -35.835 1.00 0.00 WAT +ATOM 19243 H2 TIP3 4311 25.585 37.472 -35.540 1.00 0.00 WAT +ATOM 19244 OH2 TIP3 4312 16.368 38.403 -29.689 1.00 0.00 WAT +ATOM 19245 H1 TIP3 4312 16.527 38.794 -28.823 1.00 0.00 WAT +ATOM 19246 H2 TIP3 4312 15.976 37.544 -29.450 1.00 0.00 WAT +ATOM 19247 OH2 TIP3 4313 20.038 35.797 -43.143 1.00 0.00 WAT +ATOM 19248 H1 TIP3 4313 19.678 35.578 -42.262 1.00 0.00 WAT +ATOM 19249 H2 TIP3 4313 19.311 36.349 -43.493 1.00 0.00 WAT +ATOM 19250 OH2 TIP3 4314 13.165 35.933 -36.019 1.00 0.00 WAT +ATOM 19251 H1 TIP3 4314 13.758 35.864 -35.249 1.00 0.00 WAT +ATOM 19252 H2 TIP3 4314 13.654 35.499 -36.733 1.00 0.00 WAT +ATOM 19253 OH2 TIP3 4315 14.720 36.339 -40.384 1.00 0.00 WAT +ATOM 19254 H1 TIP3 4315 15.273 36.837 -41.017 1.00 0.00 WAT +ATOM 19255 H2 TIP3 4315 14.030 36.996 -40.176 1.00 0.00 WAT +ATOM 19256 OH2 TIP3 4316 24.342 39.966 -30.601 1.00 0.00 WAT +ATOM 19257 H1 TIP3 4316 24.862 39.295 -31.097 1.00 0.00 WAT +ATOM 19258 H2 TIP3 4316 24.030 39.439 -29.849 1.00 0.00 WAT +ATOM 19259 OH2 TIP3 4317 21.666 35.935 -35.573 1.00 0.00 WAT +ATOM 19260 H1 TIP3 4317 20.720 35.912 -35.349 1.00 0.00 WAT +ATOM 19261 H2 TIP3 4317 22.075 35.747 -34.711 1.00 0.00 WAT +ATOM 19262 OH2 TIP3 4318 16.237 37.154 -36.899 1.00 0.00 WAT +ATOM 19263 H1 TIP3 4318 15.414 37.426 -37.342 1.00 0.00 WAT +ATOM 19264 H2 TIP3 4318 16.515 36.369 -37.406 1.00 0.00 WAT +ATOM 19265 OH2 TIP3 4319 19.847 37.551 -39.227 1.00 0.00 WAT +ATOM 19266 H1 TIP3 4319 20.816 37.621 -39.180 1.00 0.00 WAT +ATOM 19267 H2 TIP3 4319 19.604 38.122 -39.979 1.00 0.00 WAT +ATOM 19268 OH2 TIP3 4320 26.044 35.075 -32.548 1.00 0.00 WAT +ATOM 19269 H1 TIP3 4320 25.398 35.085 -31.808 1.00 0.00 WAT +ATOM 19270 H2 TIP3 4320 25.472 34.742 -33.261 1.00 0.00 WAT +ATOM 19271 OH2 TIP3 4321 18.438 38.673 -41.562 1.00 0.00 WAT +ATOM 19272 H1 TIP3 4321 17.813 38.199 -42.135 1.00 0.00 WAT +ATOM 19273 H2 TIP3 4321 19.159 38.897 -42.169 1.00 0.00 WAT +ATOM 19274 OH2 TIP3 4322 17.244 43.162 -26.774 1.00 0.00 WAT +ATOM 19275 H1 TIP3 4322 17.793 43.651 -26.128 1.00 0.00 WAT +ATOM 19276 H2 TIP3 4322 16.426 43.041 -26.242 1.00 0.00 WAT +ATOM 19277 OH2 TIP3 4323 22.673 38.498 -33.745 1.00 0.00 WAT +ATOM 19278 H1 TIP3 4323 23.420 38.074 -34.195 1.00 0.00 WAT +ATOM 19279 H2 TIP3 4323 22.525 37.896 -32.989 1.00 0.00 WAT +ATOM 19280 OH2 TIP3 4324 17.996 34.894 -37.631 1.00 0.00 WAT +ATOM 19281 H1 TIP3 4324 17.434 34.118 -37.469 1.00 0.00 WAT +ATOM 19282 H2 TIP3 4324 18.819 34.497 -37.948 1.00 0.00 WAT +ATOM 19283 OH2 TIP3 4325 21.651 36.946 -31.513 1.00 0.00 WAT +ATOM 19284 H1 TIP3 4325 20.868 37.521 -31.490 1.00 0.00 WAT +ATOM 19285 H2 TIP3 4325 22.144 37.208 -30.712 1.00 0.00 WAT +ATOM 19286 OH2 TIP3 4326 21.484 43.601 -39.460 1.00 0.00 WAT +ATOM 19287 H1 TIP3 4326 20.955 42.941 -39.949 1.00 0.00 WAT +ATOM 19288 H2 TIP3 4326 21.779 43.136 -38.674 1.00 0.00 WAT +ATOM 19289 OH2 TIP3 4327 29.263 42.666 -30.931 1.00 0.00 WAT +ATOM 19290 H1 TIP3 4327 29.502 43.118 -31.762 1.00 0.00 WAT +ATOM 19291 H2 TIP3 4327 28.311 42.552 -31.111 1.00 0.00 WAT +ATOM 19292 OH2 TIP3 4328 25.940 36.107 -41.847 1.00 0.00 WAT +ATOM 19293 H1 TIP3 4328 24.961 36.078 -41.858 1.00 0.00 WAT +ATOM 19294 H2 TIP3 4328 26.158 36.855 -41.258 1.00 0.00 WAT +ATOM 19295 OH2 TIP3 4329 26.555 37.946 -39.854 1.00 0.00 WAT +ATOM 19296 H1 TIP3 4329 27.424 37.751 -39.449 1.00 0.00 WAT +ATOM 19297 H2 TIP3 4329 26.727 38.794 -40.299 1.00 0.00 WAT +ATOM 19298 OH2 TIP3 4330 17.262 42.526 -33.871 1.00 0.00 WAT +ATOM 19299 H1 TIP3 4330 17.815 42.404 -34.674 1.00 0.00 WAT +ATOM 19300 H2 TIP3 4330 17.280 41.637 -33.488 1.00 0.00 WAT +ATOM 19301 OH2 TIP3 4331 14.275 40.776 -28.570 1.00 0.00 WAT +ATOM 19302 H1 TIP3 4331 14.335 40.420 -27.664 1.00 0.00 WAT +ATOM 19303 H2 TIP3 4331 13.496 40.324 -28.938 1.00 0.00 WAT +ATOM 19304 OH2 TIP3 4332 21.149 40.508 -26.513 1.00 0.00 WAT +ATOM 19305 H1 TIP3 4332 20.787 40.273 -27.385 1.00 0.00 WAT +ATOM 19306 H2 TIP3 4332 22.088 40.271 -26.625 1.00 0.00 WAT +ATOM 19307 OH2 TIP3 4333 31.281 38.060 -39.971 1.00 0.00 WAT +ATOM 19308 H1 TIP3 4333 30.669 37.841 -40.701 1.00 0.00 WAT +ATOM 19309 H2 TIP3 4333 31.389 39.006 -40.176 1.00 0.00 WAT +ATOM 19310 OH2 TIP3 4334 26.684 41.826 -32.267 1.00 0.00 WAT +ATOM 19311 H1 TIP3 4334 25.764 41.815 -32.581 1.00 0.00 WAT +ATOM 19312 H2 TIP3 4334 27.149 41.331 -32.960 1.00 0.00 WAT +ATOM 19313 OH2 TIP3 4335 15.369 40.855 -41.972 1.00 0.00 WAT +ATOM 19314 H1 TIP3 4335 15.893 41.554 -41.557 1.00 0.00 WAT +ATOM 19315 H2 TIP3 4335 14.455 41.090 -41.714 1.00 0.00 WAT +ATOM 19316 OH2 TIP3 4336 15.488 35.655 -28.877 1.00 0.00 WAT +ATOM 19317 H1 TIP3 4336 14.585 35.904 -29.159 1.00 0.00 WAT +ATOM 19318 H2 TIP3 4336 15.339 34.771 -28.497 1.00 0.00 WAT +ATOM 19319 OH2 TIP3 4337 16.955 -43.936 -40.092 1.00 0.00 WAT +ATOM 19320 H1 TIP3 4337 16.046 -43.577 -40.041 1.00 0.00 WAT +ATOM 19321 H2 TIP3 4337 17.433 -43.158 -40.412 1.00 0.00 WAT +ATOM 19322 OH2 TIP3 4338 24.462 35.490 -30.349 1.00 0.00 WAT +ATOM 19323 H1 TIP3 4338 25.084 35.748 -29.654 1.00 0.00 WAT +ATOM 19324 H2 TIP3 4338 23.975 34.748 -29.940 1.00 0.00 WAT +ATOM 19325 OH2 TIP3 4339 25.066 35.031 -39.211 1.00 0.00 WAT +ATOM 19326 H1 TIP3 4339 25.383 35.517 -39.990 1.00 0.00 WAT +ATOM 19327 H2 TIP3 4339 25.592 35.428 -38.500 1.00 0.00 WAT +ATOM 19328 OH2 TIP3 4340 22.520 36.956 -38.146 1.00 0.00 WAT +ATOM 19329 H1 TIP3 4340 23.320 37.490 -37.982 1.00 0.00 WAT +ATOM 19330 H2 TIP3 4340 22.217 36.765 -37.237 1.00 0.00 WAT +ATOM 19331 OH2 TIP3 4341 22.930 37.919 -28.981 1.00 0.00 WAT +ATOM 19332 H1 TIP3 4341 22.958 38.399 -28.138 1.00 0.00 WAT +ATOM 19333 H2 TIP3 4341 23.399 37.104 -28.758 1.00 0.00 WAT +ATOM 19334 OH2 TIP3 4342 23.137 33.954 -37.246 1.00 0.00 WAT +ATOM 19335 H1 TIP3 4342 22.944 34.632 -36.571 1.00 0.00 WAT +ATOM 19336 H2 TIP3 4342 23.856 34.389 -37.747 1.00 0.00 WAT +ATOM 19337 OH2 TIP3 4343 18.859 35.017 -40.797 1.00 0.00 WAT +ATOM 19338 H1 TIP3 4343 18.772 35.733 -40.145 1.00 0.00 WAT +ATOM 19339 H2 TIP3 4343 19.612 34.517 -40.432 1.00 0.00 WAT +ATOM 19340 OH2 TIP3 4344 29.167 35.848 -28.100 1.00 0.00 WAT +ATOM 19341 H1 TIP3 4344 28.208 35.973 -28.249 1.00 0.00 WAT +ATOM 19342 H2 TIP3 4344 29.416 35.606 -29.005 1.00 0.00 WAT +ATOM 19343 OH2 TIP3 4345 27.679 39.686 -34.151 1.00 0.00 WAT +ATOM 19344 H1 TIP3 4345 26.845 39.226 -34.347 1.00 0.00 WAT +ATOM 19345 H2 TIP3 4345 28.165 39.012 -33.627 1.00 0.00 WAT +ATOM 19346 OH2 TIP3 4346 15.457 38.078 -42.581 1.00 0.00 WAT +ATOM 19347 H1 TIP3 4346 15.575 39.033 -42.398 1.00 0.00 WAT +ATOM 19348 H2 TIP3 4346 14.534 38.065 -42.891 1.00 0.00 WAT +ATOM 19349 OH2 TIP3 4347 16.331 33.030 -33.708 1.00 0.00 WAT +ATOM 19350 H1 TIP3 4347 16.124 33.028 -34.665 1.00 0.00 WAT +ATOM 19351 H2 TIP3 4347 15.962 32.179 -33.406 1.00 0.00 WAT +ATOM 19352 OH2 TIP3 4348 14.796 43.066 -25.656 1.00 0.00 WAT +ATOM 19353 H1 TIP3 4348 14.575 42.117 -25.636 1.00 0.00 WAT +ATOM 19354 H2 TIP3 4348 13.986 43.505 -25.930 1.00 0.00 WAT +ATOM 19355 OH2 TIP3 4349 20.717 43.285 -26.119 1.00 0.00 WAT +ATOM 19356 H1 TIP3 4349 20.715 43.462 -27.081 1.00 0.00 WAT +ATOM 19357 H2 TIP3 4349 21.035 42.360 -26.094 1.00 0.00 WAT +ATOM 19358 OH2 TIP3 4350 26.717 -43.760 -28.370 1.00 0.00 WAT +ATOM 19359 H1 TIP3 4350 27.501 -43.314 -28.719 1.00 0.00 WAT +ATOM 19360 H2 TIP3 4350 26.023 -43.127 -28.596 1.00 0.00 WAT +ATOM 19361 OH2 TIP3 4351 15.363 40.234 -25.923 1.00 0.00 WAT +ATOM 19362 H1 TIP3 4351 16.148 39.663 -25.996 1.00 0.00 WAT +ATOM 19363 H2 TIP3 4351 15.384 40.454 -24.973 1.00 0.00 WAT +ATOM 19364 OH2 TIP3 4352 20.000 41.556 -40.816 1.00 0.00 WAT +ATOM 19365 H1 TIP3 4352 19.266 41.219 -40.285 1.00 0.00 WAT +ATOM 19366 H2 TIP3 4352 20.142 40.832 -41.452 1.00 0.00 WAT +ATOM 19367 OH2 TIP3 4353 19.120 39.342 -28.504 1.00 0.00 WAT +ATOM 19368 H1 TIP3 4353 18.522 40.100 -28.366 1.00 0.00 WAT +ATOM 19369 H2 TIP3 4353 19.721 39.691 -29.184 1.00 0.00 WAT +ATOM 19370 OH2 TIP3 4354 21.057 39.571 -42.692 1.00 0.00 WAT +ATOM 19371 H1 TIP3 4354 21.030 39.472 -43.653 1.00 0.00 WAT +ATOM 19372 H2 TIP3 4354 22.019 39.648 -42.529 1.00 0.00 WAT +ATOM 19373 OH2 TIP3 4355 24.444 42.163 -24.930 1.00 0.00 WAT +ATOM 19374 H1 TIP3 4355 25.255 41.918 -25.390 1.00 0.00 WAT +ATOM 19375 H2 TIP3 4355 24.024 41.314 -24.765 1.00 0.00 WAT +ATOM 19376 OH2 TIP3 4356 19.678 36.636 -27.419 1.00 0.00 WAT +ATOM 19377 H1 TIP3 4356 19.728 35.977 -28.135 1.00 0.00 WAT +ATOM 19378 H2 TIP3 4356 19.459 37.446 -27.913 1.00 0.00 WAT +ATOM 19379 OH2 TIP3 4357 20.001 35.099 -29.975 1.00 0.00 WAT +ATOM 19380 H1 TIP3 4357 20.514 35.629 -30.614 1.00 0.00 WAT +ATOM 19381 H2 TIP3 4357 19.088 35.142 -30.329 1.00 0.00 WAT +ATOM 19382 OH2 TIP3 4358 21.511 40.676 -29.656 1.00 0.00 WAT +ATOM 19383 H1 TIP3 4358 22.344 40.560 -30.141 1.00 0.00 WAT +ATOM 19384 H2 TIP3 4358 21.143 41.479 -30.063 1.00 0.00 WAT +ATOM 19385 OH2 TIP3 4359 26.154 38.499 -24.784 1.00 0.00 WAT +ATOM 19386 H1 TIP3 4359 26.322 37.552 -24.655 1.00 0.00 WAT +ATOM 19387 H2 TIP3 4359 27.056 38.843 -24.865 1.00 0.00 WAT +ATOM 19388 OH2 TIP3 4360 27.084 41.382 -26.401 1.00 0.00 WAT +ATOM 19389 H1 TIP3 4360 26.853 42.091 -27.045 1.00 0.00 WAT +ATOM 19390 H2 TIP3 4360 27.976 41.158 -26.719 1.00 0.00 WAT +ATOM 19391 OH2 TIP3 4361 17.821 38.503 -25.617 1.00 0.00 WAT +ATOM 19392 H1 TIP3 4361 17.320 37.666 -25.636 1.00 0.00 WAT +ATOM 19393 H2 TIP3 4361 18.642 38.247 -26.063 1.00 0.00 WAT +ATOM 19394 OH2 TIP3 4362 20.717 32.431 -29.613 1.00 0.00 WAT +ATOM 19395 H1 TIP3 4362 20.545 33.383 -29.778 1.00 0.00 WAT +ATOM 19396 H2 TIP3 4362 20.018 32.016 -30.152 1.00 0.00 WAT +ATOM 19397 OH2 TIP3 4363 21.994 37.018 -25.836 1.00 0.00 WAT +ATOM 19398 H1 TIP3 4363 21.639 36.809 -24.954 1.00 0.00 WAT +ATOM 19399 H2 TIP3 4363 21.199 36.819 -26.375 1.00 0.00 WAT +ATOM 19400 OH2 TIP3 4364 24.524 36.077 -26.953 1.00 0.00 WAT +ATOM 19401 H1 TIP3 4364 23.639 36.117 -26.544 1.00 0.00 WAT +ATOM 19402 H2 TIP3 4364 24.976 35.427 -26.381 1.00 0.00 WAT +ATOM 19403 OH2 TIP3 4365 26.385 34.541 -25.232 1.00 0.00 WAT +ATOM 19404 H1 TIP3 4365 26.221 33.588 -25.085 1.00 0.00 WAT +ATOM 19405 H2 TIP3 4365 26.183 34.939 -24.365 1.00 0.00 WAT +ATOM 19406 OH2 TIP3 4366 16.550 35.942 -25.779 1.00 0.00 WAT +ATOM 19407 H1 TIP3 4366 16.460 35.248 -26.452 1.00 0.00 WAT +ATOM 19408 H2 TIP3 4366 16.311 35.460 -24.966 1.00 0.00 WAT +ATOM 19409 OH2 TIP3 4367 20.558 31.922 -26.796 1.00 0.00 WAT +ATOM 19410 H1 TIP3 4367 21.150 31.154 -26.746 1.00 0.00 WAT +ATOM 19411 H2 TIP3 4367 20.529 32.069 -27.762 1.00 0.00 WAT +ATOM 19412 OH2 TIP3 4368 21.506 33.791 -24.948 1.00 0.00 WAT +ATOM 19413 H1 TIP3 4368 21.200 33.195 -25.663 1.00 0.00 WAT +ATOM 19414 H2 TIP3 4368 20.812 34.468 -24.928 1.00 0.00 WAT +ATOM 19415 OH2 TIP3 4369 30.910 43.633 -38.919 1.00 0.00 WAT +ATOM 19416 H1 TIP3 4369 31.855 43.626 -39.108 1.00 0.00 WAT +ATOM 19417 H2 TIP3 4369 30.750 42.767 -38.512 1.00 0.00 WAT +ATOM 19418 OH2 TIP3 4370 31.267 41.299 -37.319 1.00 0.00 WAT +ATOM 19419 H1 TIP3 4370 30.481 40.861 -36.932 1.00 0.00 WAT +ATOM 19420 H2 TIP3 4370 31.803 41.512 -36.537 1.00 0.00 WAT +ATOM 19421 OH2 TIP3 4371 31.440 41.069 -41.061 1.00 0.00 WAT +ATOM 19422 H1 TIP3 4371 30.812 41.375 -41.732 1.00 0.00 WAT +ATOM 19423 H2 TIP3 4371 31.287 41.722 -40.370 1.00 0.00 WAT +ATOM 19424 OH2 TIP3 4372 29.678 38.492 -42.113 1.00 0.00 WAT +ATOM 19425 H1 TIP3 4372 29.952 39.181 -42.737 1.00 0.00 WAT +ATOM 19426 H2 TIP3 4372 29.955 37.691 -42.569 1.00 0.00 WAT +ATOM 19427 OH2 TIP3 4373 29.003 39.664 -36.573 1.00 0.00 WAT +ATOM 19428 H1 TIP3 4373 28.973 38.704 -36.721 1.00 0.00 WAT +ATOM 19429 H2 TIP3 4373 28.635 39.734 -35.665 1.00 0.00 WAT +ATOM 19430 OH2 TIP3 4374 13.868 41.886 -32.595 1.00 0.00 WAT +ATOM 19431 H1 TIP3 4374 13.947 42.026 -33.552 1.00 0.00 WAT +ATOM 19432 H2 TIP3 4374 14.773 41.600 -32.351 1.00 0.00 WAT +ATOM 19433 OH2 TIP3 4375 29.854 41.608 -27.348 1.00 0.00 WAT +ATOM 19434 H1 TIP3 4375 30.588 41.008 -27.114 1.00 0.00 WAT +ATOM 19435 H2 TIP3 4375 30.284 42.445 -27.600 1.00 0.00 WAT +ATOM 19436 OH2 TIP3 4376 31.267 39.653 -26.157 1.00 0.00 WAT +ATOM 19437 H1 TIP3 4376 30.465 39.135 -26.388 1.00 0.00 WAT +ATOM 19438 H2 TIP3 4376 31.949 38.955 -26.150 1.00 0.00 WAT +ATOM 19439 OH2 TIP3 4377 28.873 35.496 -43.207 1.00 0.00 WAT +ATOM 19440 H1 TIP3 4377 29.510 35.006 -42.672 1.00 0.00 WAT +ATOM 19441 H2 TIP3 4377 28.083 34.926 -43.199 1.00 0.00 WAT +ATOM 19442 OH2 TIP3 4378 28.909 37.102 -38.353 1.00 0.00 WAT +ATOM 19443 H1 TIP3 4378 29.160 36.154 -38.285 1.00 0.00 WAT +ATOM 19444 H2 TIP3 4378 29.728 37.470 -38.728 1.00 0.00 WAT +ATOM 19445 OH2 TIP3 4379 29.190 37.711 -32.896 1.00 0.00 WAT +ATOM 19446 H1 TIP3 4379 30.168 37.762 -32.916 1.00 0.00 WAT +ATOM 19447 H2 TIP3 4379 29.045 37.698 -31.937 1.00 0.00 WAT +ATOM 19448 OH2 TIP3 4380 29.384 38.375 -30.034 1.00 0.00 WAT +ATOM 19449 H1 TIP3 4380 28.508 38.747 -29.824 1.00 0.00 WAT +ATOM 19450 H2 TIP3 4380 29.879 39.172 -30.308 1.00 0.00 WAT +ATOM 19451 OH2 TIP3 4381 13.850 37.164 -26.358 1.00 0.00 WAT +ATOM 19452 H1 TIP3 4381 14.786 36.902 -26.379 1.00 0.00 WAT +ATOM 19453 H2 TIP3 4381 13.409 36.297 -26.326 1.00 0.00 WAT +ATOM 19454 OH2 TIP3 4382 31.916 32.531 -24.779 1.00 0.00 WAT +ATOM 19455 H1 TIP3 4382 32.339 31.837 -25.320 1.00 0.00 WAT +ATOM 19456 H2 TIP3 4382 31.964 33.305 -25.372 1.00 0.00 WAT +ATOM 19457 OH2 TIP3 4383 29.382 34.341 -38.322 1.00 0.00 WAT +ATOM 19458 H1 TIP3 4383 29.610 33.951 -37.457 1.00 0.00 WAT +ATOM 19459 H2 TIP3 4383 28.629 33.781 -38.597 1.00 0.00 WAT +ATOM 19460 OH2 TIP3 4384 14.639 35.470 -33.615 1.00 0.00 WAT +ATOM 19461 H1 TIP3 4384 15.091 34.617 -33.510 1.00 0.00 WAT +ATOM 19462 H2 TIP3 4384 15.305 36.079 -33.244 1.00 0.00 WAT +ATOM 19463 OH2 TIP3 4385 13.199 38.133 -32.497 1.00 0.00 WAT +ATOM 19464 H1 TIP3 4385 13.736 38.123 -33.305 1.00 0.00 WAT +ATOM 19465 H2 TIP3 4385 13.498 38.951 -32.080 1.00 0.00 WAT +ATOM 19466 OH2 TIP3 4386 31.308 34.596 -26.537 1.00 0.00 WAT +ATOM 19467 H1 TIP3 4386 30.418 34.991 -26.511 1.00 0.00 WAT +ATOM 19468 H2 TIP3 4386 31.213 34.026 -27.323 1.00 0.00 WAT +ATOM 19469 OH2 TIP3 4387 31.429 34.761 -41.795 1.00 0.00 WAT +ATOM 19470 H1 TIP3 4387 31.744 33.982 -42.265 1.00 0.00 WAT +ATOM 19471 H2 TIP3 4387 32.265 35.237 -41.641 1.00 0.00 WAT +ATOM 19472 OH2 TIP3 4388 13.673 34.475 -38.527 1.00 0.00 WAT +ATOM 19473 H1 TIP3 4388 12.715 34.505 -38.703 1.00 0.00 WAT +ATOM 19474 H2 TIP3 4388 14.035 35.088 -39.195 1.00 0.00 WAT +ATOM 19475 OH2 TIP3 4389 13.715 33.368 -30.345 1.00 0.00 WAT +ATOM 19476 H1 TIP3 4389 12.999 33.101 -29.755 1.00 0.00 WAT +ATOM 19477 H2 TIP3 4389 13.226 33.906 -30.999 1.00 0.00 WAT +ATOM 19478 OH2 TIP3 4390 30.161 32.804 -28.545 1.00 0.00 WAT +ATOM 19479 H1 TIP3 4390 29.360 32.988 -29.066 1.00 0.00 WAT +ATOM 19480 H2 TIP3 4390 30.392 31.906 -28.866 1.00 0.00 WAT +ATOM 19481 OH2 TIP3 4391 23.602 34.296 -34.093 1.00 0.00 WAT +ATOM 19482 H1 TIP3 4391 22.911 33.621 -33.952 1.00 0.00 WAT +ATOM 19483 H2 TIP3 4391 24.214 33.832 -34.688 1.00 0.00 WAT +ATOM 19484 OH2 TIP3 4392 28.573 32.332 -33.623 1.00 0.00 WAT +ATOM 19485 H1 TIP3 4392 29.330 32.767 -34.049 1.00 0.00 WAT +ATOM 19486 H2 TIP3 4392 27.825 32.619 -34.172 1.00 0.00 WAT +ATOM 19487 OH2 TIP3 4393 30.665 33.385 -35.877 1.00 0.00 WAT +ATOM 19488 H1 TIP3 4393 31.481 33.036 -36.269 1.00 0.00 WAT +ATOM 19489 H2 TIP3 4393 30.948 34.291 -35.655 1.00 0.00 WAT +ATOM 19490 OH2 TIP3 4394 15.966 33.018 -36.528 1.00 0.00 WAT +ATOM 19491 H1 TIP3 4394 15.103 32.902 -36.972 1.00 0.00 WAT +ATOM 19492 H2 TIP3 4394 16.376 32.149 -36.685 1.00 0.00 WAT +ATOM 19493 OH2 TIP3 4395 14.746 32.562 -40.811 1.00 0.00 WAT +ATOM 19494 H1 TIP3 4395 15.324 33.215 -41.266 1.00 0.00 WAT +ATOM 19495 H2 TIP3 4395 14.391 33.100 -40.082 1.00 0.00 WAT +ATOM 19496 OH2 TIP3 4396 20.429 32.820 -36.660 1.00 0.00 WAT +ATOM 19497 H1 TIP3 4396 21.333 33.148 -36.794 1.00 0.00 WAT +ATOM 19498 H2 TIP3 4396 20.395 32.762 -35.697 1.00 0.00 WAT +ATOM 19499 OH2 TIP3 4397 26.010 32.889 -35.243 1.00 0.00 WAT +ATOM 19500 H1 TIP3 4397 26.279 32.744 -36.160 1.00 0.00 WAT +ATOM 19501 H2 TIP3 4397 25.640 32.020 -35.001 1.00 0.00 WAT +ATOM 19502 OH2 TIP3 4398 27.064 32.852 -39.188 1.00 0.00 WAT +ATOM 19503 H1 TIP3 4398 26.281 33.325 -39.516 1.00 0.00 WAT +ATOM 19504 H2 TIP3 4398 26.738 31.934 -39.172 1.00 0.00 WAT +ATOM 19505 OH2 TIP3 4399 16.416 34.271 -42.303 1.00 0.00 WAT +ATOM 19506 H1 TIP3 4399 16.998 33.709 -42.831 1.00 0.00 WAT +ATOM 19507 H2 TIP3 4399 17.063 34.802 -41.806 1.00 0.00 WAT +ATOM 19508 OH2 TIP3 4400 21.532 34.452 -39.593 1.00 0.00 WAT +ATOM 19509 H1 TIP3 4400 21.944 33.941 -38.878 1.00 0.00 WAT +ATOM 19510 H2 TIP3 4400 21.758 35.348 -39.301 1.00 0.00 WAT +ATOM 19511 OH2 TIP3 4401 15.742 33.239 -26.996 1.00 0.00 WAT +ATOM 19512 H1 TIP3 4401 15.355 32.416 -26.648 1.00 0.00 WAT +ATOM 19513 H2 TIP3 4401 16.672 33.125 -26.738 1.00 0.00 WAT +ATOM 19514 OH2 TIP3 4402 18.131 32.635 -25.266 1.00 0.00 WAT +ATOM 19515 H1 TIP3 4402 18.952 32.288 -25.670 1.00 0.00 WAT +ATOM 19516 H2 TIP3 4402 17.787 31.835 -24.837 1.00 0.00 WAT +ATOM 19517 OH2 TIP3 4403 26.258 31.743 -25.101 1.00 0.00 WAT +ATOM 19518 H1 TIP3 4403 26.289 31.327 -24.218 1.00 0.00 WAT +ATOM 19519 H2 TIP3 4403 27.197 31.710 -25.361 1.00 0.00 WAT +ATOM 19520 OH2 TIP3 4404 41.849 40.776 -33.214 1.00 0.00 WAT +ATOM 19521 H1 TIP3 4404 42.539 41.068 -32.589 1.00 0.00 WAT +ATOM 19522 H2 TIP3 4404 42.385 40.751 -34.014 1.00 0.00 WAT +ATOM 19523 OH2 TIP3 4405 35.225 40.823 -31.621 1.00 0.00 WAT +ATOM 19524 H1 TIP3 4405 35.117 40.076 -31.004 1.00 0.00 WAT +ATOM 19525 H2 TIP3 4405 35.816 41.391 -31.106 1.00 0.00 WAT +ATOM 19526 OH2 TIP3 4406 32.802 38.880 -37.583 1.00 0.00 WAT +ATOM 19527 H1 TIP3 4406 32.308 39.717 -37.560 1.00 0.00 WAT +ATOM 19528 H2 TIP3 4406 32.174 38.302 -38.038 1.00 0.00 WAT +ATOM 19529 OH2 TIP3 4407 33.804 41.373 -35.719 1.00 0.00 WAT +ATOM 19530 H1 TIP3 4407 33.736 40.537 -35.216 1.00 0.00 WAT +ATOM 19531 H2 TIP3 4407 34.482 41.122 -36.359 1.00 0.00 WAT +ATOM 19532 OH2 TIP3 4408 37.953 36.221 -34.975 1.00 0.00 WAT +ATOM 19533 H1 TIP3 4408 37.656 36.858 -35.654 1.00 0.00 WAT +ATOM 19534 H2 TIP3 4408 37.568 35.401 -35.343 1.00 0.00 WAT +ATOM 19535 OH2 TIP3 4409 34.142 38.784 -34.532 1.00 0.00 WAT +ATOM 19536 H1 TIP3 4409 34.753 38.246 -33.998 1.00 0.00 WAT +ATOM 19537 H2 TIP3 4409 34.160 38.296 -35.375 1.00 0.00 WAT +ATOM 19538 OH2 TIP3 4410 36.285 34.891 -30.916 1.00 0.00 WAT +ATOM 19539 H1 TIP3 4410 35.765 35.248 -31.650 1.00 0.00 WAT +ATOM 19540 H2 TIP3 4410 35.636 34.978 -30.190 1.00 0.00 WAT +ATOM 19541 OH2 TIP3 4411 38.689 42.640 -31.092 1.00 0.00 WAT +ATOM 19542 H1 TIP3 4411 37.957 43.264 -31.229 1.00 0.00 WAT +ATOM 19543 H2 TIP3 4411 39.438 43.250 -31.151 1.00 0.00 WAT +ATOM 19544 OH2 TIP3 4412 35.924 36.921 -33.132 1.00 0.00 WAT +ATOM 19545 H1 TIP3 4412 36.571 37.423 -32.598 1.00 0.00 WAT +ATOM 19546 H2 TIP3 4412 36.516 36.457 -33.756 1.00 0.00 WAT +ATOM 19547 OH2 TIP3 4413 40.315 32.368 -33.634 1.00 0.00 WAT +ATOM 19548 H1 TIP3 4413 40.095 31.419 -33.706 1.00 0.00 WAT +ATOM 19549 H2 TIP3 4413 39.440 32.733 -33.395 1.00 0.00 WAT +ATOM 19550 OH2 TIP3 4414 42.660 41.221 -39.116 1.00 0.00 WAT +ATOM 19551 H1 TIP3 4414 41.983 41.884 -39.361 1.00 0.00 WAT +ATOM 19552 H2 TIP3 4414 43.322 41.403 -39.787 1.00 0.00 WAT +ATOM 19553 OH2 TIP3 4415 42.909 39.672 -41.954 1.00 0.00 WAT +ATOM 19554 H1 TIP3 4415 43.731 39.665 -41.445 1.00 0.00 WAT +ATOM 19555 H2 TIP3 4415 42.968 38.875 -42.483 1.00 0.00 WAT +ATOM 19556 OH2 TIP3 4416 37.787 41.804 -35.955 1.00 0.00 WAT +ATOM 19557 H1 TIP3 4416 37.499 41.826 -36.886 1.00 0.00 WAT +ATOM 19558 H2 TIP3 4416 38.305 40.993 -35.957 1.00 0.00 WAT +ATOM 19559 OH2 TIP3 4417 38.478 40.611 -32.917 1.00 0.00 WAT +ATOM 19560 H1 TIP3 4417 38.981 41.087 -33.585 1.00 0.00 WAT +ATOM 19561 H2 TIP3 4417 38.424 41.301 -32.220 1.00 0.00 WAT +ATOM 19562 OH2 TIP3 4418 35.964 41.493 -28.869 1.00 0.00 WAT +ATOM 19563 H1 TIP3 4418 36.092 42.112 -28.113 1.00 0.00 WAT +ATOM 19564 H2 TIP3 4418 34.996 41.392 -28.847 1.00 0.00 WAT +ATOM 19565 OH2 TIP3 4419 36.432 40.897 -38.489 1.00 0.00 WAT +ATOM 19566 H1 TIP3 4419 36.283 41.655 -39.096 1.00 0.00 WAT +ATOM 19567 H2 TIP3 4419 35.891 40.208 -38.896 1.00 0.00 WAT +ATOM 19568 OH2 TIP3 4420 32.495 43.101 -29.812 1.00 0.00 WAT +ATOM 19569 H1 TIP3 4420 32.424 42.913 -30.761 1.00 0.00 WAT +ATOM 19570 H2 TIP3 4420 32.752 42.231 -29.449 1.00 0.00 WAT +ATOM 19571 OH2 TIP3 4421 37.586 33.321 -33.098 1.00 0.00 WAT +ATOM 19572 H1 TIP3 4421 36.805 33.310 -33.706 1.00 0.00 WAT +ATOM 19573 H2 TIP3 4421 37.286 33.963 -32.436 1.00 0.00 WAT +ATOM 19574 OH2 TIP3 4422 42.330 32.830 -28.638 1.00 0.00 WAT +ATOM 19575 H1 TIP3 4422 42.457 32.121 -27.991 1.00 0.00 WAT +ATOM 19576 H2 TIP3 4422 41.412 32.651 -28.929 1.00 0.00 WAT +ATOM 19577 OH2 TIP3 4423 42.073 35.726 -42.135 1.00 0.00 WAT +ATOM 19578 H1 TIP3 4423 41.621 35.376 -41.360 1.00 0.00 WAT +ATOM 19579 H2 TIP3 4423 42.301 34.907 -42.605 1.00 0.00 WAT +ATOM 19580 OH2 TIP3 4424 37.796 38.246 -31.519 1.00 0.00 WAT +ATOM 19581 H1 TIP3 4424 37.184 38.287 -30.760 1.00 0.00 WAT +ATOM 19582 H2 TIP3 4424 37.836 39.181 -31.807 1.00 0.00 WAT +ATOM 19583 OH2 TIP3 4425 37.986 38.572 -36.451 1.00 0.00 WAT +ATOM 19584 H1 TIP3 4425 37.023 38.568 -36.588 1.00 0.00 WAT +ATOM 19585 H2 TIP3 4425 38.277 38.379 -37.370 1.00 0.00 WAT +ATOM 19586 OH2 TIP3 4426 42.629 38.755 -37.149 1.00 0.00 WAT +ATOM 19587 H1 TIP3 4426 42.659 39.628 -37.575 1.00 0.00 WAT +ATOM 19588 H2 TIP3 4426 43.565 38.515 -37.057 1.00 0.00 WAT +ATOM 19589 OH2 TIP3 4427 42.543 39.225 -25.975 1.00 0.00 WAT +ATOM 19590 H1 TIP3 4427 41.976 38.425 -26.012 1.00 0.00 WAT +ATOM 19591 H2 TIP3 4427 43.404 38.817 -26.189 1.00 0.00 WAT +ATOM 19592 OH2 TIP3 4428 35.207 38.417 -29.691 1.00 0.00 WAT +ATOM 19593 H1 TIP3 4428 35.397 38.759 -28.811 1.00 0.00 WAT +ATOM 19594 H2 TIP3 4428 34.821 37.547 -29.481 1.00 0.00 WAT +ATOM 19595 OH2 TIP3 4429 38.883 35.784 -43.231 1.00 0.00 WAT +ATOM 19596 H1 TIP3 4429 38.621 35.596 -42.311 1.00 0.00 WAT +ATOM 19597 H2 TIP3 4429 38.154 36.367 -43.509 1.00 0.00 WAT +ATOM 19598 OH2 TIP3 4430 32.134 35.959 -35.875 1.00 0.00 WAT +ATOM 19599 H1 TIP3 4430 32.775 35.690 -35.204 1.00 0.00 WAT +ATOM 19600 H2 TIP3 4430 32.479 35.532 -36.681 1.00 0.00 WAT +ATOM 19601 OH2 TIP3 4431 33.551 36.312 -40.445 1.00 0.00 WAT +ATOM 19602 H1 TIP3 4431 34.136 36.829 -41.030 1.00 0.00 WAT +ATOM 19603 H2 TIP3 4431 32.905 36.984 -40.167 1.00 0.00 WAT +ATOM 19604 OH2 TIP3 4432 43.487 39.620 -30.271 1.00 0.00 WAT +ATOM 19605 H1 TIP3 4432 43.705 38.981 -30.977 1.00 0.00 WAT +ATOM 19606 H2 TIP3 4432 42.738 39.161 -29.857 1.00 0.00 WAT +ATOM 19607 OH2 TIP3 4433 35.255 37.219 -36.894 1.00 0.00 WAT +ATOM 19608 H1 TIP3 4433 34.388 37.380 -37.300 1.00 0.00 WAT +ATOM 19609 H2 TIP3 4433 35.507 36.358 -37.284 1.00 0.00 WAT +ATOM 19610 OH2 TIP3 4434 38.681 37.765 -39.089 1.00 0.00 WAT +ATOM 19611 H1 TIP3 4434 39.628 37.582 -39.191 1.00 0.00 WAT +ATOM 19612 H2 TIP3 4434 38.422 38.111 -39.963 1.00 0.00 WAT +ATOM 19613 OH2 TIP3 4435 37.310 38.677 -41.563 1.00 0.00 WAT +ATOM 19614 H1 TIP3 4435 36.702 38.180 -42.133 1.00 0.00 WAT +ATOM 19615 H2 TIP3 4435 38.042 38.888 -42.164 1.00 0.00 WAT +ATOM 19616 OH2 TIP3 4436 36.067 43.142 -26.762 1.00 0.00 WAT +ATOM 19617 H1 TIP3 4436 36.663 43.631 -26.159 1.00 0.00 WAT +ATOM 19618 H2 TIP3 4436 35.282 43.047 -26.185 1.00 0.00 WAT +ATOM 19619 OH2 TIP3 4437 36.824 34.819 -37.801 1.00 0.00 WAT +ATOM 19620 H1 TIP3 4437 36.298 34.185 -37.276 1.00 0.00 WAT +ATOM 19621 H2 TIP3 4437 37.660 34.349 -37.893 1.00 0.00 WAT +ATOM 19622 OH2 TIP3 4438 40.391 37.133 -31.786 1.00 0.00 WAT +ATOM 19623 H1 TIP3 4438 39.676 37.579 -31.297 1.00 0.00 WAT +ATOM 19624 H2 TIP3 4438 41.149 37.282 -31.191 1.00 0.00 WAT +ATOM 19625 OH2 TIP3 4439 40.696 43.301 -39.508 1.00 0.00 WAT +ATOM 19626 H1 TIP3 4439 39.950 42.876 -39.977 1.00 0.00 WAT +ATOM 19627 H2 TIP3 4439 40.428 43.253 -38.582 1.00 0.00 WAT +ATOM 19628 OH2 TIP3 4440 36.210 42.550 -33.866 1.00 0.00 WAT +ATOM 19629 H1 TIP3 4440 36.794 42.359 -34.632 1.00 0.00 WAT +ATOM 19630 H2 TIP3 4440 36.051 41.661 -33.517 1.00 0.00 WAT +ATOM 19631 OH2 TIP3 4441 33.102 40.793 -28.544 1.00 0.00 WAT +ATOM 19632 H1 TIP3 4441 33.194 40.393 -27.659 1.00 0.00 WAT +ATOM 19633 H2 TIP3 4441 32.375 40.286 -28.945 1.00 0.00 WAT +ATOM 19634 OH2 TIP3 4442 40.008 40.479 -26.491 1.00 0.00 WAT +ATOM 19635 H1 TIP3 4442 39.703 40.210 -27.372 1.00 0.00 WAT +ATOM 19636 H2 TIP3 4442 40.966 40.323 -26.553 1.00 0.00 WAT +ATOM 19637 OH2 TIP3 4443 34.221 40.857 -41.971 1.00 0.00 WAT +ATOM 19638 H1 TIP3 4443 34.764 41.548 -41.568 1.00 0.00 WAT +ATOM 19639 H2 TIP3 4443 33.315 41.107 -41.706 1.00 0.00 WAT +ATOM 19640 OH2 TIP3 4444 34.353 35.662 -28.877 1.00 0.00 WAT +ATOM 19641 H1 TIP3 4444 33.456 35.896 -29.187 1.00 0.00 WAT +ATOM 19642 H2 TIP3 4444 34.201 34.770 -28.516 1.00 0.00 WAT +ATOM 19643 OH2 TIP3 4445 35.806 -43.926 -40.067 1.00 0.00 WAT +ATOM 19644 H1 TIP3 4445 34.897 -43.566 -40.049 1.00 0.00 WAT +ATOM 19645 H2 TIP3 4445 36.287 -43.176 -40.446 1.00 0.00 WAT +ATOM 19646 OH2 TIP3 4446 43.308 35.930 -29.833 1.00 0.00 WAT +ATOM 19647 H1 TIP3 4446 43.883 35.215 -29.552 1.00 0.00 WAT +ATOM 19648 H2 TIP3 4446 42.756 35.472 -30.477 1.00 0.00 WAT +ATOM 19649 OH2 TIP3 4447 41.176 36.682 -38.033 1.00 0.00 WAT +ATOM 19650 H1 TIP3 4447 41.876 37.364 -37.942 1.00 0.00 WAT +ATOM 19651 H2 TIP3 4447 40.926 36.630 -37.109 1.00 0.00 WAT +ATOM 19652 OH2 TIP3 4448 41.689 37.911 -28.964 1.00 0.00 WAT +ATOM 19653 H1 TIP3 4448 41.864 38.296 -28.099 1.00 0.00 WAT +ATOM 19654 H2 TIP3 4448 42.312 37.155 -28.989 1.00 0.00 WAT +ATOM 19655 OH2 TIP3 4449 41.887 33.918 -36.960 1.00 0.00 WAT +ATOM 19656 H1 TIP3 4449 41.878 34.724 -36.420 1.00 0.00 WAT +ATOM 19657 H2 TIP3 4449 42.684 34.117 -37.500 1.00 0.00 WAT +ATOM 19658 OH2 TIP3 4450 37.746 35.063 -40.856 1.00 0.00 WAT +ATOM 19659 H1 TIP3 4450 37.530 35.638 -40.105 1.00 0.00 WAT +ATOM 19660 H2 TIP3 4450 38.442 34.499 -40.485 1.00 0.00 WAT +ATOM 19661 OH2 TIP3 4451 34.316 38.089 -42.607 1.00 0.00 WAT +ATOM 19662 H1 TIP3 4451 34.437 39.040 -42.413 1.00 0.00 WAT +ATOM 19663 H2 TIP3 4451 33.382 38.063 -42.874 1.00 0.00 WAT +ATOM 19664 OH2 TIP3 4452 33.602 43.063 -25.575 1.00 0.00 WAT +ATOM 19665 H1 TIP3 4452 33.489 42.100 -25.693 1.00 0.00 WAT +ATOM 19666 H2 TIP3 4452 32.843 43.446 -26.027 1.00 0.00 WAT +ATOM 19667 OH2 TIP3 4453 39.557 43.324 -26.099 1.00 0.00 WAT +ATOM 19668 H1 TIP3 4453 39.596 43.464 -27.065 1.00 0.00 WAT +ATOM 19669 H2 TIP3 4453 39.963 42.440 -26.013 1.00 0.00 WAT +ATOM 19670 OH2 TIP3 4454 34.228 40.275 -25.924 1.00 0.00 WAT +ATOM 19671 H1 TIP3 4454 34.995 39.680 -26.006 1.00 0.00 WAT +ATOM 19672 H2 TIP3 4454 34.212 40.423 -24.962 1.00 0.00 WAT +ATOM 19673 OH2 TIP3 4455 38.780 41.591 -40.794 1.00 0.00 WAT +ATOM 19674 H1 TIP3 4455 38.117 41.134 -40.262 1.00 0.00 WAT +ATOM 19675 H2 TIP3 4455 39.031 40.902 -41.432 1.00 0.00 WAT +ATOM 19676 OH2 TIP3 4456 37.995 39.344 -28.552 1.00 0.00 WAT +ATOM 19677 H1 TIP3 4456 37.403 40.091 -28.350 1.00 0.00 WAT +ATOM 19678 H2 TIP3 4456 38.583 39.731 -29.220 1.00 0.00 WAT +ATOM 19679 OH2 TIP3 4457 39.985 39.574 -42.702 1.00 0.00 WAT +ATOM 19680 H1 TIP3 4457 39.874 39.549 -43.661 1.00 0.00 WAT +ATOM 19681 H2 TIP3 4457 40.922 39.833 -42.632 1.00 0.00 WAT +ATOM 19682 OH2 TIP3 4458 42.767 41.970 -24.930 1.00 0.00 WAT +ATOM 19683 H1 TIP3 4458 43.479 41.755 -25.532 1.00 0.00 WAT +ATOM 19684 H2 TIP3 4458 42.516 41.085 -24.632 1.00 0.00 WAT +ATOM 19685 OH2 TIP3 4459 38.575 36.638 -27.395 1.00 0.00 WAT +ATOM 19686 H1 TIP3 4459 38.617 35.987 -28.118 1.00 0.00 WAT +ATOM 19687 H2 TIP3 4459 38.370 37.455 -27.881 1.00 0.00 WAT +ATOM 19688 OH2 TIP3 4460 38.895 35.150 -30.018 1.00 0.00 WAT +ATOM 19689 H1 TIP3 4460 39.335 35.630 -30.735 1.00 0.00 WAT +ATOM 19690 H2 TIP3 4460 37.967 35.098 -30.339 1.00 0.00 WAT +ATOM 19691 OH2 TIP3 4461 40.518 40.599 -29.766 1.00 0.00 WAT +ATOM 19692 H1 TIP3 4461 41.333 40.559 -30.289 1.00 0.00 WAT +ATOM 19693 H2 TIP3 4461 40.213 41.496 -29.940 1.00 0.00 WAT +ATOM 19694 OH2 TIP3 4462 36.668 38.509 -25.659 1.00 0.00 WAT +ATOM 19695 H1 TIP3 4462 36.173 37.669 -25.644 1.00 0.00 WAT +ATOM 19696 H2 TIP3 4462 37.509 38.229 -26.052 1.00 0.00 WAT +ATOM 19697 OH2 TIP3 4463 39.725 32.492 -29.614 1.00 0.00 WAT +ATOM 19698 H1 TIP3 4463 39.466 33.422 -29.772 1.00 0.00 WAT +ATOM 19699 H2 TIP3 4463 39.063 32.017 -30.157 1.00 0.00 WAT +ATOM 19700 OH2 TIP3 4464 41.033 36.943 -25.895 1.00 0.00 WAT +ATOM 19701 H1 TIP3 4464 40.690 36.700 -25.020 1.00 0.00 WAT +ATOM 19702 H2 TIP3 4464 40.267 36.705 -26.452 1.00 0.00 WAT +ATOM 19703 OH2 TIP3 4465 35.401 35.945 -25.787 1.00 0.00 WAT +ATOM 19704 H1 TIP3 4465 35.304 35.244 -26.454 1.00 0.00 WAT +ATOM 19705 H2 TIP3 4465 35.175 35.461 -24.970 1.00 0.00 WAT +ATOM 19706 OH2 TIP3 4466 39.452 31.938 -26.784 1.00 0.00 WAT +ATOM 19707 H1 TIP3 4466 40.049 31.178 -26.738 1.00 0.00 WAT +ATOM 19708 H2 TIP3 4466 39.410 32.080 -27.749 1.00 0.00 WAT +ATOM 19709 OH2 TIP3 4467 40.358 33.746 -24.851 1.00 0.00 WAT +ATOM 19710 H1 TIP3 4467 40.081 33.188 -25.605 1.00 0.00 WAT +ATOM 19711 H2 TIP3 4467 39.714 34.471 -24.882 1.00 0.00 WAT +ATOM 19712 OH2 TIP3 4468 32.743 41.873 -32.591 1.00 0.00 WAT +ATOM 19713 H1 TIP3 4468 32.808 42.004 -33.550 1.00 0.00 WAT +ATOM 19714 H2 TIP3 4468 33.651 41.602 -32.358 1.00 0.00 WAT +ATOM 19715 OH2 TIP3 4469 32.713 37.173 -26.338 1.00 0.00 WAT +ATOM 19716 H1 TIP3 4469 33.642 36.889 -26.380 1.00 0.00 WAT +ATOM 19717 H2 TIP3 4469 32.257 36.310 -26.329 1.00 0.00 WAT +ATOM 19718 OH2 TIP3 4470 33.519 35.291 -33.072 1.00 0.00 WAT +ATOM 19719 H1 TIP3 4470 33.903 34.538 -33.577 1.00 0.00 WAT +ATOM 19720 H2 TIP3 4470 34.247 35.928 -33.159 1.00 0.00 WAT +ATOM 19721 OH2 TIP3 4471 32.012 38.178 -32.530 1.00 0.00 WAT +ATOM 19722 H1 TIP3 4471 32.599 38.086 -33.296 1.00 0.00 WAT +ATOM 19723 H2 TIP3 4471 32.378 38.958 -32.099 1.00 0.00 WAT +ATOM 19724 OH2 TIP3 4472 32.425 34.651 -38.409 1.00 0.00 WAT +ATOM 19725 H1 TIP3 4472 31.520 34.542 -38.737 1.00 0.00 WAT +ATOM 19726 H2 TIP3 4472 32.893 35.062 -39.157 1.00 0.00 WAT +ATOM 19727 OH2 TIP3 4473 32.580 33.384 -30.257 1.00 0.00 WAT +ATOM 19728 H1 TIP3 4473 31.796 33.113 -29.760 1.00 0.00 WAT +ATOM 19729 H2 TIP3 4473 32.186 33.861 -31.007 1.00 0.00 WAT +ATOM 19730 OH2 TIP3 4474 42.521 34.068 -34.064 1.00 0.00 WAT +ATOM 19731 H1 TIP3 4474 41.723 33.526 -33.934 1.00 0.00 WAT +ATOM 19732 H2 TIP3 4474 42.954 33.623 -34.799 1.00 0.00 WAT +ATOM 19733 OH2 TIP3 4475 33.490 32.627 -40.897 1.00 0.00 WAT +ATOM 19734 H1 TIP3 4475 34.159 33.243 -41.269 1.00 0.00 WAT +ATOM 19735 H2 TIP3 4475 33.342 32.999 -40.015 1.00 0.00 WAT +ATOM 19736 OH2 TIP3 4476 39.299 32.935 -36.676 1.00 0.00 WAT +ATOM 19737 H1 TIP3 4476 40.260 33.108 -36.715 1.00 0.00 WAT +ATOM 19738 H2 TIP3 4476 39.168 32.761 -35.737 1.00 0.00 WAT +ATOM 19739 OH2 TIP3 4477 35.271 34.288 -42.328 1.00 0.00 WAT +ATOM 19740 H1 TIP3 4477 35.855 33.704 -42.828 1.00 0.00 WAT +ATOM 19741 H2 TIP3 4477 35.915 34.826 -41.838 1.00 0.00 WAT +ATOM 19742 OH2 TIP3 4478 40.615 34.459 -39.652 1.00 0.00 WAT +ATOM 19743 H1 TIP3 4478 40.655 33.885 -38.875 1.00 0.00 WAT +ATOM 19744 H2 TIP3 4478 40.614 35.337 -39.228 1.00 0.00 WAT +ATOM 19745 OH2 TIP3 4479 34.591 33.260 -26.957 1.00 0.00 WAT +ATOM 19746 H1 TIP3 4479 34.199 32.427 -26.640 1.00 0.00 WAT +ATOM 19747 H2 TIP3 4479 35.526 33.112 -26.745 1.00 0.00 WAT +ATOM 19748 OH2 TIP3 4480 37.001 32.637 -25.257 1.00 0.00 WAT +ATOM 19749 H1 TIP3 4480 37.822 32.283 -25.652 1.00 0.00 WAT +ATOM 19750 H2 TIP3 4480 36.638 31.837 -24.843 1.00 0.00 WAT +ATOM 19751 OH2 TIP3 4481 -31.614 -33.683 -17.411 1.00 0.00 WAT +ATOM 19752 H1 TIP3 4481 -31.590 -32.720 -17.282 1.00 0.00 WAT +ATOM 19753 H2 TIP3 4481 -32.368 -33.774 -18.009 1.00 0.00 WAT +ATOM 19754 OH2 TIP3 4482 -32.767 -34.218 -14.348 1.00 0.00 WAT +ATOM 19755 H1 TIP3 4482 -32.756 -34.767 -13.546 1.00 0.00 WAT +ATOM 19756 H2 TIP3 4482 -32.997 -34.863 -15.032 1.00 0.00 WAT +ATOM 19757 OH2 TIP3 4483 -29.127 -31.478 -16.027 1.00 0.00 WAT +ATOM 19758 H1 TIP3 4483 -29.442 -32.170 -15.432 1.00 0.00 WAT +ATOM 19759 H2 TIP3 4483 -28.694 -30.882 -15.400 1.00 0.00 WAT +ATOM 19760 OH2 TIP3 4484 -39.586 -30.034 -14.223 1.00 0.00 WAT +ATOM 19761 H1 TIP3 4484 -39.845 -30.950 -14.392 1.00 0.00 WAT +ATOM 19762 H2 TIP3 4484 -38.646 -30.137 -13.995 1.00 0.00 WAT +ATOM 19763 OH2 TIP3 4485 -41.993 -35.696 -18.553 1.00 0.00 WAT +ATOM 19764 H1 TIP3 4485 -42.601 -34.947 -18.614 1.00 0.00 WAT +ATOM 19765 H2 TIP3 4485 -42.594 -36.446 -18.449 1.00 0.00 WAT +ATOM 19766 OH2 TIP3 4486 -32.025 -26.126 -15.446 1.00 0.00 WAT +ATOM 19767 H1 TIP3 4486 -31.440 -26.825 -15.794 1.00 0.00 WAT +ATOM 19768 H2 TIP3 4486 -32.270 -26.494 -14.587 1.00 0.00 WAT +ATOM 19769 OH2 TIP3 4487 -34.265 -31.718 -13.783 1.00 0.00 WAT +ATOM 19770 H1 TIP3 4487 -33.925 -32.442 -14.338 1.00 0.00 WAT +ATOM 19771 H2 TIP3 4487 -33.453 -31.545 -13.263 1.00 0.00 WAT +ATOM 19772 OH2 TIP3 4488 -25.702 -40.178 -13.201 1.00 0.00 WAT +ATOM 19773 H1 TIP3 4488 -25.371 -39.712 -12.416 1.00 0.00 WAT +ATOM 19774 H2 TIP3 4488 -25.063 -39.865 -13.868 1.00 0.00 WAT +ATOM 19775 OH2 TIP3 4489 -30.992 -37.406 -13.258 1.00 0.00 WAT +ATOM 19776 H1 TIP3 4489 -30.773 -38.353 -13.250 1.00 0.00 WAT +ATOM 19777 H2 TIP3 4489 -31.053 -37.235 -14.212 1.00 0.00 WAT +ATOM 19778 OH2 TIP3 4490 -38.042 -39.413 -16.138 1.00 0.00 WAT +ATOM 19779 H1 TIP3 4490 -37.837 -38.574 -16.595 1.00 0.00 WAT +ATOM 19780 H2 TIP3 4490 -38.328 -39.957 -16.894 1.00 0.00 WAT +ATOM 19781 OH2 TIP3 4491 -30.108 -39.217 -17.837 1.00 0.00 WAT +ATOM 19782 H1 TIP3 4491 -29.501 -39.643 -17.197 1.00 0.00 WAT +ATOM 19783 H2 TIP3 4491 -29.475 -38.768 -18.418 1.00 0.00 WAT +ATOM 19784 OH2 TIP3 4492 -41.358 -36.264 -15.437 1.00 0.00 WAT +ATOM 19785 H1 TIP3 4492 -40.803 -36.973 -15.051 1.00 0.00 WAT +ATOM 19786 H2 TIP3 4492 -41.320 -36.516 -16.378 1.00 0.00 WAT +ATOM 19787 OH2 TIP3 4493 -36.029 -35.262 -16.114 1.00 0.00 WAT +ATOM 19788 H1 TIP3 4493 -35.256 -35.765 -15.790 1.00 0.00 WAT +ATOM 19789 H2 TIP3 4493 -36.457 -35.926 -16.687 1.00 0.00 WAT +ATOM 19790 OH2 TIP3 4494 -24.779 -38.505 -10.582 1.00 0.00 WAT +ATOM 19791 H1 TIP3 4494 -25.522 -37.962 -10.896 1.00 0.00 WAT +ATOM 19792 H2 TIP3 4494 -25.133 -38.859 -9.759 1.00 0.00 WAT +ATOM 19793 OH2 TIP3 4495 -39.160 -40.464 -12.021 1.00 0.00 WAT +ATOM 19794 H1 TIP3 4495 -39.594 -40.049 -12.778 1.00 0.00 WAT +ATOM 19795 H2 TIP3 4495 -39.850 -40.327 -11.339 1.00 0.00 WAT +ATOM 19796 OH2 TIP3 4496 -31.719 -30.840 -18.637 1.00 0.00 WAT +ATOM 19797 H1 TIP3 4496 -32.006 -31.023 -19.534 1.00 0.00 WAT +ATOM 19798 H2 TIP3 4496 -32.144 -29.985 -18.446 1.00 0.00 WAT +ATOM 19799 OH2 TIP3 4497 -36.269 -32.709 -11.921 1.00 0.00 WAT +ATOM 19800 H1 TIP3 4497 -36.983 -32.089 -11.661 1.00 0.00 WAT +ATOM 19801 H2 TIP3 4497 -35.621 -32.114 -12.342 1.00 0.00 WAT +ATOM 19802 OH2 TIP3 4498 -28.239 -40.139 -15.808 1.00 0.00 WAT +ATOM 19803 H1 TIP3 4498 -28.716 -40.591 -15.102 1.00 0.00 WAT +ATOM 19804 H2 TIP3 4498 -27.709 -39.500 -15.299 1.00 0.00 WAT +ATOM 19805 OH2 TIP3 4499 -39.669 -38.358 -14.188 1.00 0.00 WAT +ATOM 19806 H1 TIP3 4499 -38.986 -37.887 -13.664 1.00 0.00 WAT +ATOM 19807 H2 TIP3 4499 -39.100 -38.793 -14.861 1.00 0.00 WAT +ATOM 19808 OH2 TIP3 4500 -38.265 -30.808 -11.215 1.00 0.00 WAT +ATOM 19809 H1 TIP3 4500 -38.290 -29.868 -11.475 1.00 0.00 WAT +ATOM 19810 H2 TIP3 4500 -39.136 -30.901 -10.791 1.00 0.00 WAT +ATOM 19811 OH2 TIP3 4501 -41.846 -31.217 -20.238 1.00 0.00 WAT +ATOM 19812 H1 TIP3 4501 -42.634 -31.015 -20.782 1.00 0.00 WAT +ATOM 19813 H2 TIP3 4501 -41.895 -30.540 -19.540 1.00 0.00 WAT +ATOM 19814 OH2 TIP3 4502 -28.638 -29.825 -13.405 1.00 0.00 WAT +ATOM 19815 H1 TIP3 4502 -29.498 -29.399 -13.548 1.00 0.00 WAT +ATOM 19816 H2 TIP3 4502 -28.026 -29.247 -13.889 1.00 0.00 WAT +ATOM 19817 OH2 TIP3 4503 -28.084 -41.114 -11.808 1.00 0.00 WAT +ATOM 19818 H1 TIP3 4503 -28.881 -40.768 -12.243 1.00 0.00 WAT +ATOM 19819 H2 TIP3 4503 -27.409 -40.962 -12.497 1.00 0.00 WAT +ATOM 19820 OH2 TIP3 4504 -34.963 43.816 -14.729 1.00 0.00 WAT +ATOM 19821 H1 TIP3 4504 -35.007 42.854 -14.691 1.00 0.00 WAT +ATOM 19822 H2 TIP3 4504 -35.862 44.111 -14.483 1.00 0.00 WAT +ATOM 19823 OH2 TIP3 4505 -30.231 -27.722 -17.002 1.00 0.00 WAT +ATOM 19824 H1 TIP3 4505 -29.739 -28.530 -17.251 1.00 0.00 WAT +ATOM 19825 H2 TIP3 4505 -29.520 -27.055 -17.042 1.00 0.00 WAT +ATOM 19826 OH2 TIP3 4506 -28.764 -29.863 -18.377 1.00 0.00 WAT +ATOM 19827 H1 TIP3 4506 -29.300 -30.366 -19.004 1.00 0.00 WAT +ATOM 19828 H2 TIP3 4506 -28.744 -30.472 -17.615 1.00 0.00 WAT +ATOM 19829 OH2 TIP3 4507 -27.256 -31.048 -9.859 1.00 0.00 WAT +ATOM 19830 H1 TIP3 4507 -27.273 -31.666 -10.612 1.00 0.00 WAT +ATOM 19831 H2 TIP3 4507 -27.088 -30.198 -10.313 1.00 0.00 WAT +ATOM 19832 OH2 TIP3 4508 -32.970 -34.158 -20.161 1.00 0.00 WAT +ATOM 19833 H1 TIP3 4508 -33.612 -33.531 -20.544 1.00 0.00 WAT +ATOM 19834 H2 TIP3 4508 -32.230 -34.094 -20.788 1.00 0.00 WAT +ATOM 19835 OH2 TIP3 4509 -32.670 -35.954 -23.112 1.00 0.00 WAT +ATOM 19836 H1 TIP3 4509 -31.989 -35.647 -22.485 1.00 0.00 WAT +ATOM 19837 H2 TIP3 4509 -32.139 -36.529 -23.682 1.00 0.00 WAT +ATOM 19838 OH2 TIP3 4510 -25.472 -34.907 -11.931 1.00 0.00 WAT +ATOM 19839 H1 TIP3 4510 -26.138 -34.197 -11.856 1.00 0.00 WAT +ATOM 19840 H2 TIP3 4510 -24.948 -34.562 -12.690 1.00 0.00 WAT +ATOM 19841 OH2 TIP3 4511 -29.450 -34.165 -19.079 1.00 0.00 WAT +ATOM 19842 H1 TIP3 4511 -30.113 -33.934 -18.390 1.00 0.00 WAT +ATOM 19843 H2 TIP3 4511 -28.817 -34.690 -18.554 1.00 0.00 WAT +ATOM 19844 OH2 TIP3 4512 -29.612 -35.620 -10.250 1.00 0.00 WAT +ATOM 19845 H1 TIP3 4512 -29.537 -34.822 -9.700 1.00 0.00 WAT +ATOM 19846 H2 TIP3 4512 -30.222 -35.276 -10.926 1.00 0.00 WAT +ATOM 19847 OH2 TIP3 4513 -37.881 -33.344 -17.254 1.00 0.00 WAT +ATOM 19848 H1 TIP3 4513 -38.188 -33.780 -18.071 1.00 0.00 WAT +ATOM 19849 H2 TIP3 4513 -37.219 -33.979 -16.926 1.00 0.00 WAT +ATOM 19850 OH2 TIP3 4514 -36.512 -30.014 -14.552 1.00 0.00 WAT +ATOM 19851 H1 TIP3 4514 -36.551 -30.349 -15.458 1.00 0.00 WAT +ATOM 19852 H2 TIP3 4514 -35.693 -30.436 -14.223 1.00 0.00 WAT +ATOM 19853 OH2 TIP3 4515 -37.551 -34.480 -13.822 1.00 0.00 WAT +ATOM 19854 H1 TIP3 4515 -36.895 -34.583 -14.543 1.00 0.00 WAT +ATOM 19855 H2 TIP3 4515 -37.061 -33.939 -13.170 1.00 0.00 WAT +ATOM 19856 OH2 TIP3 4516 -31.535 -28.974 -13.228 1.00 0.00 WAT +ATOM 19857 H1 TIP3 4516 -31.322 -28.351 -12.513 1.00 0.00 WAT +ATOM 19858 H2 TIP3 4516 -31.546 -29.838 -12.782 1.00 0.00 WAT +ATOM 19859 OH2 TIP3 4517 -36.427 -30.262 -8.971 1.00 0.00 WAT +ATOM 19860 H1 TIP3 4517 -36.928 -29.587 -8.479 1.00 0.00 WAT +ATOM 19861 H2 TIP3 4517 -37.059 -30.501 -9.673 1.00 0.00 WAT +ATOM 19862 OH2 TIP3 4518 -30.487 -34.709 -21.616 1.00 0.00 WAT +ATOM 19863 H1 TIP3 4518 -30.020 -34.431 -20.799 1.00 0.00 WAT +ATOM 19864 H2 TIP3 4518 -29.986 -34.193 -22.295 1.00 0.00 WAT +ATOM 19865 OH2 TIP3 4519 -39.643 -33.827 -10.046 1.00 0.00 WAT +ATOM 19866 H1 TIP3 4519 -39.530 -33.293 -9.245 1.00 0.00 WAT +ATOM 19867 H2 TIP3 4519 -40.607 -33.953 -10.079 1.00 0.00 WAT +ATOM 19868 OH2 TIP3 4520 -33.072 -28.108 -18.050 1.00 0.00 WAT +ATOM 19869 H1 TIP3 4520 -32.524 -27.833 -17.304 1.00 0.00 WAT +ATOM 19870 H2 TIP3 4520 -33.520 -27.289 -18.310 1.00 0.00 WAT +ATOM 19871 OH2 TIP3 4521 -38.359 -28.080 -8.140 1.00 0.00 WAT +ATOM 19872 H1 TIP3 4521 -38.435 -28.033 -9.108 1.00 0.00 WAT +ATOM 19873 H2 TIP3 4521 -39.272 -28.262 -7.855 1.00 0.00 WAT +ATOM 19874 OH2 TIP3 4522 -27.313 -43.201 -22.408 1.00 0.00 WAT +ATOM 19875 H1 TIP3 4522 -27.702 -43.239 -21.523 1.00 0.00 WAT +ATOM 19876 H2 TIP3 4522 -26.509 -42.697 -22.211 1.00 0.00 WAT +ATOM 19877 OH2 TIP3 4523 -38.848 -34.633 -19.812 1.00 0.00 WAT +ATOM 19878 H1 TIP3 4523 -39.135 -33.860 -20.324 1.00 0.00 WAT +ATOM 19879 H2 TIP3 4523 -39.611 -35.222 -19.884 1.00 0.00 WAT +ATOM 19880 OH2 TIP3 4524 -25.660 -28.804 -23.626 1.00 0.00 WAT +ATOM 19881 H1 TIP3 4524 -25.503 -27.878 -23.354 1.00 0.00 WAT +ATOM 19882 H2 TIP3 4524 -24.804 -29.222 -23.406 1.00 0.00 WAT +ATOM 19883 OH2 TIP3 4525 -42.618 -32.103 -11.439 1.00 0.00 WAT +ATOM 19884 H1 TIP3 4525 -43.430 -31.984 -11.932 1.00 0.00 WAT +ATOM 19885 H2 TIP3 4525 -42.967 -32.540 -10.638 1.00 0.00 WAT +ATOM 19886 OH2 TIP3 4526 -42.856 -29.198 -14.151 1.00 0.00 WAT +ATOM 19887 H1 TIP3 4526 -41.906 -29.353 -14.066 1.00 0.00 WAT +ATOM 19888 H2 TIP3 4526 -43.008 -28.499 -13.504 1.00 0.00 WAT +ATOM 19889 OH2 TIP3 4527 -24.397 -28.375 -8.303 1.00 0.00 WAT +ATOM 19890 H1 TIP3 4527 -24.485 -29.300 -8.587 1.00 0.00 WAT +ATOM 19891 H2 TIP3 4527 -25.322 -28.169 -8.046 1.00 0.00 WAT +ATOM 19892 OH2 TIP3 4528 -33.779 -29.196 -9.540 1.00 0.00 WAT +ATOM 19893 H1 TIP3 4528 -33.694 -28.371 -9.021 1.00 0.00 WAT +ATOM 19894 H2 TIP3 4528 -34.677 -29.494 -9.297 1.00 0.00 WAT +ATOM 19895 OH2 TIP3 4529 -33.516 -25.367 -19.575 1.00 0.00 WAT +ATOM 19896 H1 TIP3 4529 -33.474 -25.276 -20.543 1.00 0.00 WAT +ATOM 19897 H2 TIP3 4529 -33.421 -24.452 -19.266 1.00 0.00 WAT +ATOM 19898 OH2 TIP3 4530 -39.764 -26.255 -17.943 1.00 0.00 WAT +ATOM 19899 H1 TIP3 4530 -39.527 -26.660 -17.085 1.00 0.00 WAT +ATOM 19900 H2 TIP3 4530 -40.574 -26.750 -18.145 1.00 0.00 WAT +ATOM 19901 OH2 TIP3 4531 -30.191 -25.913 -22.413 1.00 0.00 WAT +ATOM 19902 H1 TIP3 4531 -29.624 -26.570 -22.862 1.00 0.00 WAT +ATOM 19903 H2 TIP3 4531 -30.238 -26.293 -21.512 1.00 0.00 WAT +ATOM 19904 OH2 TIP3 4532 -30.793 -26.541 -19.627 1.00 0.00 WAT +ATOM 19905 H1 TIP3 4532 -31.734 -26.403 -19.429 1.00 0.00 WAT +ATOM 19906 H2 TIP3 4532 -30.576 -27.220 -18.962 1.00 0.00 WAT +ATOM 19907 OH2 TIP3 4533 -27.645 -37.097 -7.936 1.00 0.00 WAT +ATOM 19908 H1 TIP3 4533 -28.124 -36.680 -8.665 1.00 0.00 WAT +ATOM 19909 H2 TIP3 4533 -27.561 -38.016 -8.249 1.00 0.00 WAT +ATOM 19910 OH2 TIP3 4534 -40.714 -30.416 -9.755 1.00 0.00 WAT +ATOM 19911 H1 TIP3 4534 -40.372 -30.970 -9.026 1.00 0.00 WAT +ATOM 19912 H2 TIP3 4534 -41.409 -30.970 -10.149 1.00 0.00 WAT +ATOM 19913 OH2 TIP3 4535 -37.527 -42.220 -13.874 1.00 0.00 WAT +ATOM 19914 H1 TIP3 4535 -38.386 -42.308 -14.310 1.00 0.00 WAT +ATOM 19915 H2 TIP3 4535 -37.646 -41.360 -13.442 1.00 0.00 WAT +ATOM 19916 OH2 TIP3 4536 -32.905 -42.622 -10.312 1.00 0.00 WAT +ATOM 19917 H1 TIP3 4536 -32.703 -43.094 -9.499 1.00 0.00 WAT +ATOM 19918 H2 TIP3 4536 -33.854 -42.776 -10.398 1.00 0.00 WAT +ATOM 19919 OH2 TIP3 4537 -29.949 -38.639 -9.908 1.00 0.00 WAT +ATOM 19920 H1 TIP3 4537 -30.507 -38.743 -9.117 1.00 0.00 WAT +ATOM 19921 H2 TIP3 4537 -29.975 -37.680 -10.073 1.00 0.00 WAT +ATOM 19922 OH2 TIP3 4538 -28.946 -33.632 -23.623 1.00 0.00 WAT +ATOM 19923 H1 TIP3 4538 -29.127 -33.803 -24.566 1.00 0.00 WAT +ATOM 19924 H2 TIP3 4538 -28.010 -33.369 -23.657 1.00 0.00 WAT +ATOM 19925 OH2 TIP3 4539 -33.294 -39.930 -23.162 1.00 0.00 WAT +ATOM 19926 H1 TIP3 4539 -33.829 -40.036 -22.351 1.00 0.00 WAT +ATOM 19927 H2 TIP3 4539 -33.784 -40.543 -23.753 1.00 0.00 WAT +ATOM 19928 OH2 TIP3 4540 -37.674 -37.179 -12.626 1.00 0.00 WAT +ATOM 19929 H1 TIP3 4540 -38.193 -37.036 -11.818 1.00 0.00 WAT +ATOM 19930 H2 TIP3 4540 -37.565 -36.266 -12.950 1.00 0.00 WAT +ATOM 19931 OH2 TIP3 4541 -37.686 -37.095 -17.724 1.00 0.00 WAT +ATOM 19932 H1 TIP3 4541 -38.641 -37.171 -17.910 1.00 0.00 WAT +ATOM 19933 H2 TIP3 4541 -37.320 -37.262 -18.614 1.00 0.00 WAT +ATOM 19934 OH2 TIP3 4542 -32.067 -36.525 -18.981 1.00 0.00 WAT +ATOM 19935 H1 TIP3 4542 -32.468 -35.688 -19.301 1.00 0.00 WAT +ATOM 19936 H2 TIP3 4542 -31.375 -36.666 -19.646 1.00 0.00 WAT +ATOM 19937 OH2 TIP3 4543 -32.880 -36.319 -7.633 1.00 0.00 WAT +ATOM 19938 H1 TIP3 4543 -33.378 -37.070 -7.252 1.00 0.00 WAT +ATOM 19939 H2 TIP3 4543 -32.006 -36.421 -7.208 1.00 0.00 WAT +ATOM 19940 OH2 TIP3 4544 -31.227 -37.120 -16.180 1.00 0.00 WAT +ATOM 19941 H1 TIP3 4544 -31.501 -36.532 -16.912 1.00 0.00 WAT +ATOM 19942 H2 TIP3 4544 -31.005 -37.923 -16.692 1.00 0.00 WAT +ATOM 19943 OH2 TIP3 4545 -40.450 -36.849 -10.971 1.00 0.00 WAT +ATOM 19944 H1 TIP3 4545 -39.914 -36.466 -10.266 1.00 0.00 WAT +ATOM 19945 H2 TIP3 4545 -40.530 -37.781 -10.710 1.00 0.00 WAT +ATOM 19946 OH2 TIP3 4546 -36.897 -39.395 -24.202 1.00 0.00 WAT +ATOM 19947 H1 TIP3 4546 -37.233 -39.782 -23.373 1.00 0.00 WAT +ATOM 19948 H2 TIP3 4546 -37.692 -39.276 -24.732 1.00 0.00 WAT +ATOM 19949 OH2 TIP3 4547 -43.212 -39.275 -17.086 1.00 0.00 WAT +ATOM 19950 H1 TIP3 4547 -42.999 -39.642 -16.205 1.00 0.00 WAT +ATOM 19951 H2 TIP3 4547 -43.022 -40.020 -17.663 1.00 0.00 WAT +ATOM 19952 OH2 TIP3 4548 -42.133 -38.770 -21.242 1.00 0.00 WAT +ATOM 19953 H1 TIP3 4548 -41.548 -38.607 -22.010 1.00 0.00 WAT +ATOM 19954 H2 TIP3 4548 -43.002 -38.643 -21.638 1.00 0.00 WAT +ATOM 19955 OH2 TIP3 4549 -32.170 -35.447 -11.746 1.00 0.00 WAT +ATOM 19956 H1 TIP3 4549 -31.693 -36.157 -12.232 1.00 0.00 WAT +ATOM 19957 H2 TIP3 4549 -32.405 -35.898 -10.926 1.00 0.00 WAT +ATOM 19958 OH2 TIP3 4550 -34.905 -39.414 -16.747 1.00 0.00 WAT +ATOM 19959 H1 TIP3 4550 -35.830 -39.615 -16.530 1.00 0.00 WAT +ATOM 19960 H2 TIP3 4550 -34.449 -39.711 -15.941 1.00 0.00 WAT +ATOM 19961 OH2 TIP3 4551 -40.323 -38.257 -18.106 1.00 0.00 WAT +ATOM 19962 H1 TIP3 4551 -41.171 -38.207 -18.556 1.00 0.00 WAT +ATOM 19963 H2 TIP3 4551 -39.967 -39.109 -18.425 1.00 0.00 WAT +ATOM 19964 OH2 TIP3 4552 -36.718 -37.912 -20.346 1.00 0.00 WAT +ATOM 19965 H1 TIP3 4552 -35.747 -37.862 -20.290 1.00 0.00 WAT +ATOM 19966 H2 TIP3 4552 -36.939 -37.297 -21.065 1.00 0.00 WAT +ATOM 19967 OH2 TIP3 4553 -30.563 -40.329 -13.700 1.00 0.00 WAT +ATOM 19968 H1 TIP3 4553 -31.197 -40.346 -12.955 1.00 0.00 WAT +ATOM 19969 H2 TIP3 4553 -31.144 -40.627 -14.420 1.00 0.00 WAT +ATOM 19970 OH2 TIP3 4554 -38.264 -36.682 -22.608 1.00 0.00 WAT +ATOM 19971 H1 TIP3 4554 -38.815 -36.998 -23.336 1.00 0.00 WAT +ATOM 19972 H2 TIP3 4554 -37.433 -36.472 -23.070 1.00 0.00 WAT +ATOM 19973 OH2 TIP3 4555 -27.522 -24.554 -7.038 1.00 0.00 WAT +ATOM 19974 H1 TIP3 4555 -27.275 -24.120 -7.874 1.00 0.00 WAT +ATOM 19975 H2 TIP3 4555 -26.823 -24.246 -6.439 1.00 0.00 WAT +ATOM 19976 OH2 TIP3 4556 -39.524 -31.996 -7.657 1.00 0.00 WAT +ATOM 19977 H1 TIP3 4556 -38.887 -31.963 -6.911 1.00 0.00 WAT +ATOM 19978 H2 TIP3 4556 -40.359 -31.881 -7.156 1.00 0.00 WAT +ATOM 19979 OH2 TIP3 4557 -33.903 -36.940 -14.903 1.00 0.00 WAT +ATOM 19980 H1 TIP3 4557 -33.156 -37.344 -15.370 1.00 0.00 WAT +ATOM 19981 H2 TIP3 4557 -34.036 -37.563 -14.164 1.00 0.00 WAT +ATOM 19982 OH2 TIP3 4558 -38.803 -40.610 -18.664 1.00 0.00 WAT +ATOM 19983 H1 TIP3 4558 -39.208 -41.482 -18.526 1.00 0.00 WAT +ATOM 19984 H2 TIP3 4558 -37.936 -40.843 -19.031 1.00 0.00 WAT +ATOM 19985 OH2 TIP3 4559 -34.927 -38.510 -12.624 1.00 0.00 WAT +ATOM 19986 H1 TIP3 4559 -35.669 -37.887 -12.631 1.00 0.00 WAT +ATOM 19987 H2 TIP3 4559 -34.415 -38.234 -11.836 1.00 0.00 WAT +ATOM 19988 OH2 TIP3 4560 -34.789 -32.081 -20.760 1.00 0.00 WAT +ATOM 19989 H1 TIP3 4560 -35.552 -32.595 -21.096 1.00 0.00 WAT +ATOM 19990 H2 TIP3 4560 -34.967 -32.045 -19.792 1.00 0.00 WAT +ATOM 19991 OH2 TIP3 4561 -27.410 -32.824 -12.147 1.00 0.00 WAT +ATOM 19992 H1 TIP3 4561 -26.969 -32.273 -12.813 1.00 0.00 WAT +ATOM 19993 H2 TIP3 4561 -28.295 -32.918 -12.551 1.00 0.00 WAT +ATOM 19994 OH2 TIP3 4562 -30.608 -39.307 -23.135 1.00 0.00 WAT +ATOM 19995 H1 TIP3 4562 -31.590 -39.375 -23.101 1.00 0.00 WAT +ATOM 19996 H2 TIP3 4562 -30.412 -38.628 -22.458 1.00 0.00 WAT +ATOM 19997 OH2 TIP3 4563 -33.203 -32.117 -9.425 1.00 0.00 WAT +ATOM 19998 H1 TIP3 4563 -33.414 -32.381 -8.520 1.00 0.00 WAT +ATOM 19999 H2 TIP3 4563 -33.421 -31.173 -9.430 1.00 0.00 WAT +ATOM 20000 OH2 TIP3 4564 -29.955 -37.494 -20.995 1.00 0.00 WAT +ATOM 20001 H1 TIP3 4564 -29.097 -37.630 -20.544 1.00 0.00 WAT +ATOM 20002 H2 TIP3 4564 -29.854 -36.593 -21.353 1.00 0.00 WAT +ATOM 20003 OH2 TIP3 4565 -39.850 -33.141 -14.847 1.00 0.00 WAT +ATOM 20004 H1 TIP3 4565 -39.451 -32.880 -15.698 1.00 0.00 WAT +ATOM 20005 H2 TIP3 4565 -39.091 -33.628 -14.456 1.00 0.00 WAT +ATOM 20006 OH2 TIP3 4566 -32.384 -30.731 -21.834 1.00 0.00 WAT +ATOM 20007 H1 TIP3 4566 -32.634 -29.869 -21.444 1.00 0.00 WAT +ATOM 20008 H2 TIP3 4566 -33.134 -31.283 -21.547 1.00 0.00 WAT +ATOM 20009 OH2 TIP3 4567 -42.432 -34.306 -9.407 1.00 0.00 WAT +ATOM 20010 H1 TIP3 4567 -42.271 -34.906 -8.657 1.00 0.00 WAT +ATOM 20011 H2 TIP3 4567 -42.949 -34.855 -10.023 1.00 0.00 WAT +ATOM 20012 OH2 TIP3 4568 -35.423 -34.960 -7.716 1.00 0.00 WAT +ATOM 20013 H1 TIP3 4568 -35.667 -35.148 -8.637 1.00 0.00 WAT +ATOM 20014 H2 TIP3 4568 -34.480 -35.206 -7.735 1.00 0.00 WAT +ATOM 20015 OH2 TIP3 4569 -30.889 -29.554 -9.949 1.00 0.00 WAT +ATOM 20016 H1 TIP3 4569 -31.846 -29.398 -10.015 1.00 0.00 WAT +ATOM 20017 H2 TIP3 4569 -30.693 -29.234 -9.054 1.00 0.00 WAT +ATOM 20018 OH2 TIP3 4570 -25.344 -37.460 -21.182 1.00 0.00 WAT +ATOM 20019 H1 TIP3 4570 -25.911 -37.641 -21.957 1.00 0.00 WAT +ATOM 20020 H2 TIP3 4570 -25.221 -36.498 -21.306 1.00 0.00 WAT +ATOM 20021 OH2 TIP3 4571 -24.901 -31.436 -8.384 1.00 0.00 WAT +ATOM 20022 H1 TIP3 4571 -25.828 -31.182 -8.567 1.00 0.00 WAT +ATOM 20023 H2 TIP3 4571 -24.572 -31.585 -9.294 1.00 0.00 WAT +ATOM 20024 OH2 TIP3 4572 -27.245 -28.878 -21.173 1.00 0.00 WAT +ATOM 20025 H1 TIP3 4572 -27.373 -29.578 -20.515 1.00 0.00 WAT +ATOM 20026 H2 TIP3 4572 -26.556 -29.236 -21.746 1.00 0.00 WAT +ATOM 20027 OH2 TIP3 4573 -29.875 -33.515 -13.668 1.00 0.00 WAT +ATOM 20028 H1 TIP3 4573 -30.803 -33.651 -13.929 1.00 0.00 WAT +ATOM 20029 H2 TIP3 4573 -29.431 -34.222 -14.177 1.00 0.00 WAT +ATOM 20030 OH2 TIP3 4574 -37.293 -29.413 -17.637 1.00 0.00 WAT +ATOM 20031 H1 TIP3 4574 -36.837 -28.568 -17.775 1.00 0.00 WAT +ATOM 20032 H2 TIP3 4574 -38.189 -29.199 -17.926 1.00 0.00 WAT +ATOM 20033 OH2 TIP3 4575 -41.546 -34.473 -22.894 1.00 0.00 WAT +ATOM 20034 H1 TIP3 4575 -40.807 -33.924 -22.558 1.00 0.00 WAT +ATOM 20035 H2 TIP3 4575 -42.273 -33.842 -22.822 1.00 0.00 WAT +ATOM 20036 OH2 TIP3 4576 -35.445 -31.745 -18.065 1.00 0.00 WAT +ATOM 20037 H1 TIP3 4576 -35.693 -30.822 -17.902 1.00 0.00 WAT +ATOM 20038 H2 TIP3 4576 -36.157 -32.217 -17.610 1.00 0.00 WAT +ATOM 20039 OH2 TIP3 4577 -35.269 -27.461 -11.691 1.00 0.00 WAT +ATOM 20040 H1 TIP3 4577 -34.696 -26.729 -11.982 1.00 0.00 WAT +ATOM 20041 H2 TIP3 4577 -34.645 -27.979 -11.156 1.00 0.00 WAT +ATOM 20042 OH2 TIP3 4578 -36.817 -26.521 -18.446 1.00 0.00 WAT +ATOM 20043 H1 TIP3 4578 -37.771 -26.365 -18.382 1.00 0.00 WAT +ATOM 20044 H2 TIP3 4578 -36.457 -25.644 -18.215 1.00 0.00 WAT +ATOM 20045 OH2 TIP3 4579 -31.874 -31.744 -12.152 1.00 0.00 WAT +ATOM 20046 H1 TIP3 4579 -32.113 -31.992 -11.243 1.00 0.00 WAT +ATOM 20047 H2 TIP3 4579 -31.093 -32.298 -12.315 1.00 0.00 WAT +ATOM 20048 OH2 TIP3 4580 -29.711 -30.430 -23.217 1.00 0.00 WAT +ATOM 20049 H1 TIP3 4580 -29.252 -30.844 -22.463 1.00 0.00 WAT +ATOM 20050 H2 TIP3 4580 -30.627 -30.569 -22.926 1.00 0.00 WAT +ATOM 20051 OH2 TIP3 4581 -28.982 -27.116 -9.683 1.00 0.00 WAT +ATOM 20052 H1 TIP3 4581 -29.695 -27.572 -10.169 1.00 0.00 WAT +ATOM 20053 H2 TIP3 4581 -28.780 -26.366 -10.272 1.00 0.00 WAT +ATOM 20054 OH2 TIP3 4582 -24.962 -26.148 -22.676 1.00 0.00 WAT +ATOM 20055 H1 TIP3 4582 -24.257 -25.502 -22.855 1.00 0.00 WAT +ATOM 20056 H2 TIP3 4582 -25.719 -25.536 -22.625 1.00 0.00 WAT +ATOM 20057 OH2 TIP3 4583 -41.029 -39.562 -10.120 1.00 0.00 WAT +ATOM 20058 H1 TIP3 4583 -41.911 -39.160 -10.064 1.00 0.00 WAT +ATOM 20059 H2 TIP3 4583 -41.172 -40.416 -9.651 1.00 0.00 WAT +ATOM 20060 OH2 TIP3 4584 -28.735 -31.825 -20.828 1.00 0.00 WAT +ATOM 20061 H1 TIP3 4584 -28.979 -32.537 -20.212 1.00 0.00 WAT +ATOM 20062 H2 TIP3 4584 -27.766 -31.807 -20.735 1.00 0.00 WAT +ATOM 20063 OH2 TIP3 4585 -41.286 -28.009 -11.595 1.00 0.00 WAT +ATOM 20064 H1 TIP3 4585 -41.034 -28.933 -11.467 1.00 0.00 WAT +ATOM 20065 H2 TIP3 4585 -40.969 -27.623 -10.771 1.00 0.00 WAT +ATOM 20066 OH2 TIP3 4586 -35.457 -29.366 -24.638 1.00 0.00 WAT +ATOM 20067 H1 TIP3 4586 -35.143 -30.156 -25.116 1.00 0.00 WAT +ATOM 20068 H2 TIP3 4586 -35.863 -29.766 -23.851 1.00 0.00 WAT +ATOM 20069 OH2 TIP3 4587 -36.630 -29.859 -21.900 1.00 0.00 WAT +ATOM 20070 H1 TIP3 4587 -36.089 -30.380 -21.288 1.00 0.00 WAT +ATOM 20071 H2 TIP3 4587 -36.468 -28.943 -21.591 1.00 0.00 WAT +ATOM 20072 OH2 TIP3 4588 -39.887 -32.433 -21.588 1.00 0.00 WAT +ATOM 20073 H1 TIP3 4588 -40.568 -32.016 -21.008 1.00 0.00 WAT +ATOM 20074 H2 TIP3 4588 -39.369 -31.643 -21.814 1.00 0.00 WAT +ATOM 20075 OH2 TIP3 4589 -32.170 -40.067 -11.401 1.00 0.00 WAT +ATOM 20076 H1 TIP3 4589 -31.518 -39.795 -10.739 1.00 0.00 WAT +ATOM 20077 H2 TIP3 4589 -32.496 -40.919 -11.056 1.00 0.00 WAT +ATOM 20078 OH2 TIP3 4590 -31.363 -40.563 -20.261 1.00 0.00 WAT +ATOM 20079 H1 TIP3 4590 -31.281 -39.964 -21.017 1.00 0.00 WAT +ATOM 20080 H2 TIP3 4590 -30.992 -40.024 -19.543 1.00 0.00 WAT +ATOM 20081 OH2 TIP3 4591 -33.678 -28.245 -21.296 1.00 0.00 WAT +ATOM 20082 H1 TIP3 4591 -34.474 -27.724 -21.103 1.00 0.00 WAT +ATOM 20083 H2 TIP3 4591 -33.271 -27.731 -22.004 1.00 0.00 WAT +ATOM 20084 OH2 TIP3 4592 -34.034 -38.518 -19.270 1.00 0.00 WAT +ATOM 20085 H1 TIP3 4592 -33.293 -37.889 -19.141 1.00 0.00 WAT +ATOM 20086 H2 TIP3 4592 -34.321 -38.674 -18.347 1.00 0.00 WAT +ATOM 20087 OH2 TIP3 4593 -33.719 -37.616 -10.125 1.00 0.00 WAT +ATOM 20088 H1 TIP3 4593 -33.598 -37.102 -9.308 1.00 0.00 WAT +ATOM 20089 H2 TIP3 4593 -33.127 -38.366 -9.983 1.00 0.00 WAT +ATOM 20090 OH2 TIP3 4594 -33.316 -41.737 -18.284 1.00 0.00 WAT +ATOM 20091 H1 TIP3 4594 -33.636 -40.994 -17.744 1.00 0.00 WAT +ATOM 20092 H2 TIP3 4594 -32.749 -41.281 -18.932 1.00 0.00 WAT +ATOM 20093 OH2 TIP3 4595 -36.465 -27.145 -21.294 1.00 0.00 WAT +ATOM 20094 H1 TIP3 4595 -36.514 -26.330 -21.838 1.00 0.00 WAT +ATOM 20095 H2 TIP3 4595 -36.578 -26.795 -20.392 1.00 0.00 WAT +ATOM 20096 OH2 TIP3 4596 -37.756 -40.504 -21.750 1.00 0.00 WAT +ATOM 20097 H1 TIP3 4596 -37.709 -39.674 -21.240 1.00 0.00 WAT +ATOM 20098 H2 TIP3 4596 -36.880 -40.879 -21.528 1.00 0.00 WAT +ATOM 20099 OH2 TIP3 4597 -27.319 -39.627 -9.317 1.00 0.00 WAT +ATOM 20100 H1 TIP3 4597 -28.283 -39.531 -9.428 1.00 0.00 WAT +ATOM 20101 H2 TIP3 4597 -27.091 -39.865 -10.227 1.00 0.00 WAT +ATOM 20102 OH2 TIP3 4598 -28.902 -35.742 -15.222 1.00 0.00 WAT +ATOM 20103 H1 TIP3 4598 -29.714 -36.206 -15.498 1.00 0.00 WAT +ATOM 20104 H2 TIP3 4598 -28.400 -36.451 -14.763 1.00 0.00 WAT +ATOM 20105 OH2 TIP3 4599 -39.320 -29.593 -22.751 1.00 0.00 WAT +ATOM 20106 H1 TIP3 4599 -38.566 -29.141 -22.338 1.00 0.00 WAT +ATOM 20107 H2 TIP3 4599 -38.845 -30.139 -23.394 1.00 0.00 WAT +ATOM 20108 OH2 TIP3 4600 -41.188 -37.486 -23.564 1.00 0.00 WAT +ATOM 20109 H1 TIP3 4600 -41.052 -36.536 -23.425 1.00 0.00 WAT +ATOM 20110 H2 TIP3 4600 -41.919 -37.528 -24.191 1.00 0.00 WAT +ATOM 20111 OH2 TIP3 4601 -27.990 -26.795 -13.729 1.00 0.00 WAT +ATOM 20112 H1 TIP3 4601 -27.976 -26.003 -14.293 1.00 0.00 WAT +ATOM 20113 H2 TIP3 4601 -27.047 -27.008 -13.673 1.00 0.00 WAT +ATOM 20114 OH2 TIP3 4602 -40.776 -42.368 -14.651 1.00 0.00 WAT +ATOM 20115 H1 TIP3 4602 -40.581 -42.592 -15.570 1.00 0.00 WAT +ATOM 20116 H2 TIP3 4602 -41.117 -43.218 -14.325 1.00 0.00 WAT +ATOM 20117 OH2 TIP3 4603 -41.382 -28.832 -18.590 1.00 0.00 WAT +ATOM 20118 H1 TIP3 4603 -42.278 -28.463 -18.544 1.00 0.00 WAT +ATOM 20119 H2 TIP3 4603 -41.032 -28.409 -19.385 1.00 0.00 WAT +ATOM 20120 OH2 TIP3 4604 -42.140 -26.044 -7.377 1.00 0.00 WAT +ATOM 20121 H1 TIP3 4604 -41.504 -26.038 -6.638 1.00 0.00 WAT +ATOM 20122 H2 TIP3 4604 -42.154 -27.006 -7.519 1.00 0.00 WAT +ATOM 20123 OH2 TIP3 4605 -37.261 -26.906 -5.651 1.00 0.00 WAT +ATOM 20124 H1 TIP3 4605 -36.572 -27.553 -5.434 1.00 0.00 WAT +ATOM 20125 H2 TIP3 4605 -37.497 -27.185 -6.550 1.00 0.00 WAT +ATOM 20126 OH2 TIP3 4606 -33.223 -27.651 -24.153 1.00 0.00 WAT +ATOM 20127 H1 TIP3 4606 -33.976 -28.274 -24.226 1.00 0.00 WAT +ATOM 20128 H2 TIP3 4606 -32.509 -28.206 -24.507 1.00 0.00 WAT +ATOM 20129 OH2 TIP3 4607 -30.838 -28.627 -7.038 1.00 0.00 WAT +ATOM 20130 H1 TIP3 4607 -31.167 -29.470 -6.682 1.00 0.00 WAT +ATOM 20131 H2 TIP3 4607 -30.107 -28.415 -6.430 1.00 0.00 WAT +ATOM 20132 OH2 TIP3 4608 -28.605 -27.774 -24.053 1.00 0.00 WAT +ATOM 20133 H1 TIP3 4608 -28.432 -28.536 -23.474 1.00 0.00 WAT +ATOM 20134 H2 TIP3 4608 -27.781 -27.728 -24.568 1.00 0.00 WAT +ATOM 20135 OH2 TIP3 4609 -41.986 -31.996 -6.764 1.00 0.00 WAT +ATOM 20136 H1 TIP3 4609 -41.895 -32.895 -7.110 1.00 0.00 WAT +ATOM 20137 H2 TIP3 4609 -42.874 -31.744 -7.059 1.00 0.00 WAT +ATOM 20138 OH2 TIP3 4610 -37.813 -31.955 -24.290 1.00 0.00 WAT +ATOM 20139 H1 TIP3 4610 -37.608 -32.522 -23.528 1.00 0.00 WAT +ATOM 20140 H2 TIP3 4610 -36.951 -31.955 -24.752 1.00 0.00 WAT +ATOM 20141 OH2 TIP3 4611 -35.412 -32.169 -6.956 1.00 0.00 WAT +ATOM 20142 H1 TIP3 4611 -35.676 -31.825 -7.826 1.00 0.00 WAT +ATOM 20143 H2 TIP3 4611 -35.316 -33.128 -7.122 1.00 0.00 WAT +ATOM 20144 OH2 TIP3 4612 -32.591 -30.607 -24.680 1.00 0.00 WAT +ATOM 20145 H1 TIP3 4612 -32.594 -30.643 -23.707 1.00 0.00 WAT +ATOM 20146 H2 TIP3 4612 -32.615 -31.565 -24.886 1.00 0.00 WAT +ATOM 20147 OH2 TIP3 4613 -30.003 -32.525 -9.592 1.00 0.00 WAT +ATOM 20148 H1 TIP3 4613 -29.202 -32.009 -9.780 1.00 0.00 WAT +ATOM 20149 H2 TIP3 4613 -30.674 -31.824 -9.616 1.00 0.00 WAT +ATOM 20150 OH2 TIP3 4614 -41.361 -35.282 -7.015 1.00 0.00 WAT +ATOM 20151 H1 TIP3 4614 -40.570 -35.841 -7.139 1.00 0.00 WAT +ATOM 20152 H2 TIP3 4614 -41.231 -34.989 -6.100 1.00 0.00 WAT +ATOM 20153 OH2 TIP3 4615 -36.754 -33.833 -21.974 1.00 0.00 WAT +ATOM 20154 H1 TIP3 4615 -37.325 -34.353 -21.387 1.00 0.00 WAT +ATOM 20155 H2 TIP3 4615 -36.425 -34.521 -22.587 1.00 0.00 WAT +ATOM 20156 OH2 TIP3 4616 -37.609 -36.100 -9.817 1.00 0.00 WAT +ATOM 20157 H1 TIP3 4616 -38.028 -35.295 -9.470 1.00 0.00 WAT +ATOM 20158 H2 TIP3 4616 -36.875 -35.719 -10.335 1.00 0.00 WAT +ATOM 20159 OH2 TIP3 4617 -35.765 -35.831 -23.698 1.00 0.00 WAT +ATOM 20160 H1 TIP3 4617 -35.782 -35.739 -24.669 1.00 0.00 WAT +ATOM 20161 H2 TIP3 4617 -34.805 -35.877 -23.528 1.00 0.00 WAT +ATOM 20162 OH2 TIP3 4618 -32.202 -33.381 -6.160 1.00 0.00 WAT +ATOM 20163 H1 TIP3 4618 -31.295 -33.550 -6.458 1.00 0.00 WAT +ATOM 20164 H2 TIP3 4618 -32.422 -34.218 -5.727 1.00 0.00 WAT +ATOM 20165 OH2 TIP3 4619 -26.249 -33.318 -24.379 1.00 0.00 WAT +ATOM 20166 H1 TIP3 4619 -26.357 -33.728 -25.249 1.00 0.00 WAT +ATOM 20167 H2 TIP3 4619 -26.349 -32.369 -24.607 1.00 0.00 WAT +ATOM 20168 OH2 TIP3 4620 -36.935 -38.819 -8.593 1.00 0.00 WAT +ATOM 20169 H1 TIP3 4620 -36.813 -39.457 -9.315 1.00 0.00 WAT +ATOM 20170 H2 TIP3 4620 -37.116 -38.000 -9.085 1.00 0.00 WAT +ATOM 20171 OH2 TIP3 4621 -36.519 -40.378 -11.172 1.00 0.00 WAT +ATOM 20172 H1 TIP3 4621 -35.987 -39.823 -11.781 1.00 0.00 WAT +ATOM 20173 H2 TIP3 4621 -37.430 -40.256 -11.518 1.00 0.00 WAT +ATOM 20174 OH2 TIP3 4622 -35.069 -34.898 -10.705 1.00 0.00 WAT +ATOM 20175 H1 TIP3 4622 -34.208 -34.992 -11.143 1.00 0.00 WAT +ATOM 20176 H2 TIP3 4622 -35.332 -34.007 -11.013 1.00 0.00 WAT +ATOM 20177 OH2 TIP3 4623 -30.455 -36.932 -5.930 1.00 0.00 WAT +ATOM 20178 H1 TIP3 4623 -30.225 -37.862 -5.778 1.00 0.00 WAT +ATOM 20179 H2 TIP3 4623 -29.576 -36.524 -5.981 1.00 0.00 WAT +ATOM 20180 OH2 TIP3 4624 -29.480 -34.154 -7.454 1.00 0.00 WAT +ATOM 20181 H1 TIP3 4624 -29.811 -33.527 -8.132 1.00 0.00 WAT +ATOM 20182 H2 TIP3 4624 -28.569 -34.283 -7.786 1.00 0.00 WAT +ATOM 20183 OH2 TIP3 4625 -38.789 -36.902 -6.813 1.00 0.00 WAT +ATOM 20184 H1 TIP3 4625 -39.299 -37.730 -6.787 1.00 0.00 WAT +ATOM 20185 H2 TIP3 4625 -37.953 -37.198 -7.203 1.00 0.00 WAT +ATOM 20186 OH2 TIP3 4626 -36.067 -42.774 -9.940 1.00 0.00 WAT +ATOM 20187 H1 TIP3 4626 -35.911 -41.876 -10.298 1.00 0.00 WAT +ATOM 20188 H2 TIP3 4626 -36.994 -42.873 -10.187 1.00 0.00 WAT +ATOM 20189 OH2 TIP3 4627 -34.569 -38.442 -6.994 1.00 0.00 WAT +ATOM 20190 H1 TIP3 4627 -34.869 -38.711 -6.108 1.00 0.00 WAT +ATOM 20191 H2 TIP3 4627 -35.379 -38.640 -7.507 1.00 0.00 WAT +ATOM 20192 OH2 TIP3 4628 -31.978 -39.451 -8.010 1.00 0.00 WAT +ATOM 20193 H1 TIP3 4628 -32.867 -39.312 -7.637 1.00 0.00 WAT +ATOM 20194 H2 TIP3 4628 -31.601 -40.100 -7.389 1.00 0.00 WAT +ATOM 20195 OH2 TIP3 4629 -30.270 -41.367 -6.333 1.00 0.00 WAT +ATOM 20196 H1 TIP3 4629 -30.396 -42.237 -5.938 1.00 0.00 WAT +ATOM 20197 H2 TIP3 4629 -30.388 -40.767 -5.578 1.00 0.00 WAT +ATOM 20198 OH2 TIP3 4630 -40.107 -39.508 -6.928 1.00 0.00 WAT +ATOM 20199 H1 TIP3 4630 -40.242 -40.218 -7.582 1.00 0.00 WAT +ATOM 20200 H2 TIP3 4630 -40.374 -39.941 -6.099 1.00 0.00 WAT +ATOM 20201 OH2 TIP3 4631 -34.947 -41.463 -5.889 1.00 0.00 WAT +ATOM 20202 H1 TIP3 4631 -35.164 -42.287 -6.363 1.00 0.00 WAT +ATOM 20203 H2 TIP3 4631 -35.800 -41.001 -5.845 1.00 0.00 WAT +ATOM 20204 OH2 TIP3 4632 -35.988 -24.610 -22.610 1.00 0.00 WAT +ATOM 20205 H1 TIP3 4632 -35.038 -24.480 -22.473 1.00 0.00 WAT +ATOM 20206 H2 TIP3 4632 -36.114 -24.135 -23.441 1.00 0.00 WAT +ATOM 20207 OH2 TIP3 4633 -41.992 -29.699 -23.523 1.00 0.00 WAT +ATOM 20208 H1 TIP3 4633 -41.208 -29.749 -22.941 1.00 0.00 WAT +ATOM 20209 H2 TIP3 4633 -42.162 -30.629 -23.732 1.00 0.00 WAT +ATOM 20210 OH2 TIP3 4634 -42.723 -26.904 -16.405 1.00 0.00 WAT +ATOM 20211 H1 TIP3 4634 -42.760 -27.796 -16.028 1.00 0.00 WAT +ATOM 20212 H2 TIP3 4634 -42.426 -26.393 -15.636 1.00 0.00 WAT +ATOM 20213 OH2 TIP3 4635 -25.125 -25.402 -13.335 1.00 0.00 WAT +ATOM 20214 H1 TIP3 4635 -25.014 -25.862 -12.494 1.00 0.00 WAT +ATOM 20215 H2 TIP3 4635 -24.230 -25.446 -13.693 1.00 0.00 WAT +ATOM 20216 OH2 TIP3 4636 -25.282 -26.273 -10.409 1.00 0.00 WAT +ATOM 20217 H1 TIP3 4636 -25.759 -27.012 -10.835 1.00 0.00 WAT +ATOM 20218 H2 TIP3 4636 -24.670 -26.779 -9.854 1.00 0.00 WAT +ATOM 20219 OH2 TIP3 4637 -27.257 -30.840 -6.161 1.00 0.00 WAT +ATOM 20220 H1 TIP3 4637 -28.136 -30.754 -5.755 1.00 0.00 WAT +ATOM 20221 H2 TIP3 4637 -26.804 -30.029 -5.875 1.00 0.00 WAT +ATOM 20222 OH2 TIP3 4638 -25.852 -31.946 -20.439 1.00 0.00 WAT +ATOM 20223 H1 TIP3 4638 -24.951 -31.616 -20.258 1.00 0.00 WAT +ATOM 20224 H2 TIP3 4638 -25.943 -32.577 -19.701 1.00 0.00 WAT +ATOM 20225 OH2 TIP3 4639 -25.410 -34.002 -18.498 1.00 0.00 WAT +ATOM 20226 H1 TIP3 4639 -26.065 -34.543 -18.020 1.00 0.00 WAT +ATOM 20227 H2 TIP3 4639 -24.722 -33.839 -17.819 1.00 0.00 WAT +ATOM 20228 OH2 TIP3 4640 -26.953 -28.531 -11.148 1.00 0.00 WAT +ATOM 20229 H1 TIP3 4640 -27.777 -28.210 -10.752 1.00 0.00 WAT +ATOM 20230 H2 TIP3 4640 -27.252 -28.890 -12.006 1.00 0.00 WAT +ATOM 20231 OH2 TIP3 4641 -25.135 -34.549 -21.893 1.00 0.00 WAT +ATOM 20232 H1 TIP3 4641 -25.649 -34.228 -22.658 1.00 0.00 WAT +ATOM 20233 H2 TIP3 4641 -25.269 -33.824 -21.261 1.00 0.00 WAT +ATOM 20234 OH2 TIP3 4642 -26.902 -36.979 -23.630 1.00 0.00 WAT +ATOM 20235 H1 TIP3 4642 -26.603 -36.378 -24.325 1.00 0.00 WAT +ATOM 20236 H2 TIP3 4642 -27.119 -37.790 -24.125 1.00 0.00 WAT +ATOM 20237 OH2 TIP3 4643 -27.496 -35.838 -17.651 1.00 0.00 WAT +ATOM 20238 H1 TIP3 4643 -27.548 -36.794 -17.806 1.00 0.00 WAT +ATOM 20239 H2 TIP3 4643 -27.843 -35.748 -16.741 1.00 0.00 WAT +ATOM 20240 OH2 TIP3 4644 -26.869 -33.929 -8.490 1.00 0.00 WAT +ATOM 20241 H1 TIP3 4644 -26.115 -34.529 -8.335 1.00 0.00 WAT +ATOM 20242 H2 TIP3 4644 -26.427 -33.099 -8.722 1.00 0.00 WAT +ATOM 20243 OH2 TIP3 4645 -25.319 -35.837 -7.255 1.00 0.00 WAT +ATOM 20244 H1 TIP3 4645 -26.098 -36.374 -7.508 1.00 0.00 WAT +ATOM 20245 H2 TIP3 4645 -24.605 -36.500 -7.295 1.00 0.00 WAT +ATOM 20246 OH2 TIP3 4646 -27.452 -39.692 -24.462 1.00 0.00 WAT +ATOM 20247 H1 TIP3 4646 -26.846 -40.116 -23.827 1.00 0.00 WAT +ATOM 20248 H2 TIP3 4646 -28.270 -40.190 -24.340 1.00 0.00 WAT +ATOM 20249 OH2 TIP3 4647 -27.647 -38.278 -19.456 1.00 0.00 WAT +ATOM 20250 H1 TIP3 4647 -27.460 -39.244 -19.399 1.00 0.00 WAT +ATOM 20251 H2 TIP3 4647 -26.819 -37.966 -19.862 1.00 0.00 WAT +ATOM 20252 OH2 TIP3 4648 -27.374 -37.742 -14.064 1.00 0.00 WAT +ATOM 20253 H1 TIP3 4648 -26.398 -37.659 -14.092 1.00 0.00 WAT +ATOM 20254 H2 TIP3 4648 -27.507 -37.744 -13.101 1.00 0.00 WAT +ATOM 20255 OH2 TIP3 4649 -27.225 -37.052 -11.197 1.00 0.00 WAT +ATOM 20256 H1 TIP3 4649 -28.062 -36.616 -10.954 1.00 0.00 WAT +ATOM 20257 H2 TIP3 4649 -26.665 -36.288 -11.440 1.00 0.00 WAT +ATOM 20258 OH2 TIP3 4650 -42.846 -38.402 -7.596 1.00 0.00 WAT +ATOM 20259 H1 TIP3 4650 -41.965 -38.803 -7.577 1.00 0.00 WAT +ATOM 20260 H2 TIP3 4650 -43.442 -39.139 -7.393 1.00 0.00 WAT +ATOM 20261 OH2 TIP3 4651 -25.066 -42.774 -5.428 1.00 0.00 WAT +ATOM 20262 H1 TIP3 4651 -24.550 -43.551 -5.664 1.00 0.00 WAT +ATOM 20263 H2 TIP3 4651 -25.047 -42.180 -6.213 1.00 0.00 WAT +ATOM 20264 OH2 TIP3 4652 -27.329 -40.991 -19.369 1.00 0.00 WAT +ATOM 20265 H1 TIP3 4652 -27.085 -41.488 -18.575 1.00 0.00 WAT +ATOM 20266 H2 TIP3 4652 -27.949 -41.609 -19.800 1.00 0.00 WAT +ATOM 20267 OH2 TIP3 4653 -41.950 -39.908 -14.568 1.00 0.00 WAT +ATOM 20268 H1 TIP3 4653 -41.602 -40.817 -14.439 1.00 0.00 WAT +ATOM 20269 H2 TIP3 4653 -41.179 -39.368 -14.319 1.00 0.00 WAT +ATOM 20270 OH2 TIP3 4654 -43.123 -37.406 -13.519 1.00 0.00 WAT +ATOM 20271 H1 TIP3 4654 -42.915 -37.966 -14.283 1.00 0.00 WAT +ATOM 20272 H2 TIP3 4654 -43.162 -36.536 -13.919 1.00 0.00 WAT +ATOM 20273 OH2 TIP3 4655 -25.276 -41.121 -7.584 1.00 0.00 WAT +ATOM 20274 H1 TIP3 4655 -26.125 -40.644 -7.512 1.00 0.00 WAT +ATOM 20275 H2 TIP3 4655 -25.362 -41.463 -8.491 1.00 0.00 WAT +ATOM 20276 OH2 TIP3 4656 -25.209 -40.561 -22.797 1.00 0.00 WAT +ATOM 20277 H1 TIP3 4656 -25.016 -41.426 -23.212 1.00 0.00 WAT +ATOM 20278 H2 TIP3 4656 -24.337 -40.147 -22.731 1.00 0.00 WAT +ATOM 20279 OH2 TIP3 4657 -43.156 -41.071 -20.053 1.00 0.00 WAT +ATOM 20280 H1 TIP3 4657 -43.989 -40.697 -20.370 1.00 0.00 WAT +ATOM 20281 H2 TIP3 4657 -42.528 -40.379 -20.348 1.00 0.00 WAT +ATOM 20282 OH2 TIP3 4658 -28.281 -25.641 -17.506 1.00 0.00 WAT +ATOM 20283 H1 TIP3 4658 -27.839 -25.916 -18.329 1.00 0.00 WAT +ATOM 20284 H2 TIP3 4658 -27.525 -25.380 -16.967 1.00 0.00 WAT +ATOM 20285 OH2 TIP3 4659 -42.902 -41.631 -11.697 1.00 0.00 WAT +ATOM 20286 H1 TIP3 4659 -43.462 -42.212 -11.137 1.00 0.00 WAT +ATOM 20287 H2 TIP3 4659 -43.310 -41.706 -12.566 1.00 0.00 WAT +ATOM 20288 OH2 TIP3 4660 -41.179 -28.621 -7.032 1.00 0.00 WAT +ATOM 20289 H1 TIP3 4660 -41.692 -29.256 -7.540 1.00 0.00 WAT +ATOM 20290 H2 TIP3 4660 -41.319 -28.960 -6.117 1.00 0.00 WAT +ATOM 20291 OH2 TIP3 4661 -38.024 -27.969 -11.132 1.00 0.00 WAT +ATOM 20292 H1 TIP3 4661 -38.322 -27.122 -11.509 1.00 0.00 WAT +ATOM 20293 H2 TIP3 4661 -37.062 -27.886 -11.299 1.00 0.00 WAT +ATOM 20294 OH2 TIP3 4662 -33.531 -26.665 -8.121 1.00 0.00 WAT +ATOM 20295 H1 TIP3 4662 -33.354 -26.852 -7.185 1.00 0.00 WAT +ATOM 20296 H2 TIP3 4662 -32.696 -26.228 -8.391 1.00 0.00 WAT +ATOM 20297 OH2 TIP3 4663 -31.251 -25.218 -8.886 1.00 0.00 WAT +ATOM 20298 H1 TIP3 4663 -30.543 -25.830 -9.149 1.00 0.00 WAT +ATOM 20299 H2 TIP3 4663 -30.924 -24.915 -8.017 1.00 0.00 WAT +ATOM 20300 OH2 TIP3 4664 -26.658 -42.770 -9.681 1.00 0.00 WAT +ATOM 20301 H1 TIP3 4664 -27.156 -42.148 -10.240 1.00 0.00 WAT +ATOM 20302 H2 TIP3 4664 -26.413 -43.429 -10.351 1.00 0.00 WAT +ATOM 20303 OH2 TIP3 4665 -40.712 -24.931 -10.891 1.00 0.00 WAT +ATOM 20304 H1 TIP3 4665 -41.392 -24.415 -11.365 1.00 0.00 WAT +ATOM 20305 H2 TIP3 4665 -41.011 -24.839 -9.979 1.00 0.00 WAT +ATOM 20306 OH2 TIP3 4666 -38.194 -25.254 -12.247 1.00 0.00 WAT +ATOM 20307 H1 TIP3 4666 -39.054 -25.048 -11.830 1.00 0.00 WAT +ATOM 20308 H2 TIP3 4666 -38.144 -24.582 -12.950 1.00 0.00 WAT +ATOM 20309 OH2 TIP3 4667 -33.433 -25.258 -12.687 1.00 0.00 WAT +ATOM 20310 H1 TIP3 4667 -33.780 -24.804 -13.474 1.00 0.00 WAT +ATOM 20311 H2 TIP3 4667 -33.313 -24.515 -12.067 1.00 0.00 WAT +ATOM 20312 OH2 TIP3 4668 -31.084 -26.551 -11.754 1.00 0.00 WAT +ATOM 20313 H1 TIP3 4668 -31.911 -26.179 -12.112 1.00 0.00 WAT +ATOM 20314 H2 TIP3 4668 -30.480 -25.795 -11.815 1.00 0.00 WAT +ATOM 20315 OH2 TIP3 4669 -28.583 -24.818 -11.575 1.00 0.00 WAT +ATOM 20316 H1 TIP3 4669 -28.579 -23.879 -11.844 1.00 0.00 WAT +ATOM 20317 H2 TIP3 4669 -28.255 -25.243 -12.391 1.00 0.00 WAT +ATOM 20318 OH2 TIP3 4670 -41.279 -26.207 -13.921 1.00 0.00 WAT +ATOM 20319 H1 TIP3 4670 -41.328 -26.620 -13.035 1.00 0.00 WAT +ATOM 20320 H2 TIP3 4670 -40.476 -26.626 -14.282 1.00 0.00 WAT +ATOM 20321 OH2 TIP3 4671 -39.101 -27.429 -15.384 1.00 0.00 WAT +ATOM 20322 H1 TIP3 4671 -39.229 -28.366 -15.135 1.00 0.00 WAT +ATOM 20323 H2 TIP3 4671 -38.187 -27.267 -15.080 1.00 0.00 WAT +ATOM 20324 OH2 TIP3 4672 -36.330 -27.014 -14.534 1.00 0.00 WAT +ATOM 20325 H1 TIP3 4672 -36.107 -27.931 -14.771 1.00 0.00 WAT +ATOM 20326 H2 TIP3 4672 -36.221 -27.049 -13.570 1.00 0.00 WAT +ATOM 20327 OH2 TIP3 4673 -33.011 -41.120 -15.262 1.00 0.00 WAT +ATOM 20328 H1 TIP3 4673 -33.627 -41.824 -14.975 1.00 0.00 WAT +ATOM 20329 H2 TIP3 4673 -32.392 -41.614 -15.823 1.00 0.00 WAT +ATOM 20330 OH2 TIP3 4674 -27.720 -43.316 -14.804 1.00 0.00 WAT +ATOM 20331 H1 TIP3 4674 -27.116 -42.892 -15.439 1.00 0.00 WAT +ATOM 20332 H2 TIP3 4674 -28.587 -43.034 -15.118 1.00 0.00 WAT +ATOM 20333 OH2 TIP3 4675 -25.786 -42.237 -16.987 1.00 0.00 WAT +ATOM 20334 H1 TIP3 4675 -25.192 -42.449 -17.712 1.00 0.00 WAT +ATOM 20335 H2 TIP3 4675 -25.574 -41.296 -16.830 1.00 0.00 WAT +ATOM 20336 OH2 TIP3 4676 -40.734 -42.818 -17.928 1.00 0.00 WAT +ATOM 20337 H1 TIP3 4676 -41.604 -43.168 -18.159 1.00 0.00 WAT +ATOM 20338 H2 TIP3 4676 -40.264 -43.592 -17.604 1.00 0.00 WAT +ATOM 20339 OH2 TIP3 4677 -42.076 -43.007 -21.861 1.00 0.00 WAT +ATOM 20340 H1 TIP3 4677 -41.686 -42.346 -22.462 1.00 0.00 WAT +ATOM 20341 H2 TIP3 4677 -42.594 -42.437 -21.259 1.00 0.00 WAT +ATOM 20342 OH2 TIP3 4678 -36.149 -42.194 -17.606 1.00 0.00 WAT +ATOM 20343 H1 TIP3 4678 -35.228 -42.331 -17.875 1.00 0.00 WAT +ATOM 20344 H2 TIP3 4678 -36.340 -42.975 -17.077 1.00 0.00 WAT +ATOM 20345 OH2 TIP3 4679 -30.623 -42.643 -16.309 1.00 0.00 WAT +ATOM 20346 H1 TIP3 4679 -30.247 -42.614 -17.198 1.00 0.00 WAT +ATOM 20347 H2 TIP3 4679 -30.720 -43.589 -16.134 1.00 0.00 WAT +ATOM 20348 OH2 TIP3 4680 -29.504 -42.721 -20.312 1.00 0.00 WAT +ATOM 20349 H1 TIP3 4680 -30.251 -42.133 -20.537 1.00 0.00 WAT +ATOM 20350 H2 TIP3 4680 -29.893 -43.602 -20.369 1.00 0.00 WAT +ATOM 20351 OH2 TIP3 4681 -41.893 -26.919 -20.830 1.00 0.00 WAT +ATOM 20352 H1 TIP3 4681 -42.495 -27.097 -21.560 1.00 0.00 WAT +ATOM 20353 H2 TIP3 4681 -41.823 -25.956 -20.862 1.00 0.00 WAT +ATOM 20354 OH2 TIP3 4682 -40.093 -41.134 -23.255 1.00 0.00 WAT +ATOM 20355 H1 TIP3 4682 -39.445 -41.571 -23.831 1.00 0.00 WAT +ATOM 20356 H2 TIP3 4682 -39.496 -40.702 -22.614 1.00 0.00 WAT +ATOM 20357 OH2 TIP3 4683 -34.929 -40.593 -20.954 1.00 0.00 WAT +ATOM 20358 H1 TIP3 4683 -34.821 -41.428 -20.456 1.00 0.00 WAT +ATOM 20359 H2 TIP3 4683 -34.697 -39.910 -20.294 1.00 0.00 WAT +ATOM 20360 OH2 TIP3 4684 -32.968 -25.146 -22.504 1.00 0.00 WAT +ATOM 20361 H1 TIP3 4684 -31.995 -25.107 -22.558 1.00 0.00 WAT +ATOM 20362 H2 TIP3 4684 -33.152 -25.808 -23.191 1.00 0.00 WAT +ATOM 20363 OH2 TIP3 4685 -26.465 -26.098 -19.938 1.00 0.00 WAT +ATOM 20364 H1 TIP3 4685 -26.693 -26.931 -20.392 1.00 0.00 WAT +ATOM 20365 H2 TIP3 4685 -26.499 -25.461 -20.671 1.00 0.00 WAT +ATOM 20366 OH2 TIP3 4686 -41.059 -41.710 -8.474 1.00 0.00 WAT +ATOM 20367 H1 TIP3 4686 -41.600 -42.375 -8.000 1.00 0.00 WAT +ATOM 20368 H2 TIP3 4686 -40.259 -42.240 -8.614 1.00 0.00 WAT +ATOM 20369 OH2 TIP3 4687 -38.080 -42.775 -5.869 1.00 0.00 WAT +ATOM 20370 H1 TIP3 4687 -37.221 -43.039 -6.270 1.00 0.00 WAT +ATOM 20371 H2 TIP3 4687 -38.278 -43.548 -5.329 1.00 0.00 WAT +ATOM 20372 OH2 TIP3 4688 -40.128 -25.932 -23.861 1.00 0.00 WAT +ATOM 20373 H1 TIP3 4688 -40.397 -25.740 -22.952 1.00 0.00 WAT +ATOM 20374 H2 TIP3 4688 -39.404 -26.570 -23.731 1.00 0.00 WAT +ATOM 20375 OH2 TIP3 4689 -26.968 -27.345 -7.529 1.00 0.00 WAT +ATOM 20376 H1 TIP3 4689 -27.678 -27.533 -8.170 1.00 0.00 WAT +ATOM 20377 H2 TIP3 4689 -27.122 -26.396 -7.367 1.00 0.00 WAT +ATOM 20378 OH2 TIP3 4690 -12.724 -33.673 -17.446 1.00 0.00 WAT +ATOM 20379 H1 TIP3 4690 -12.759 -32.721 -17.265 1.00 0.00 WAT +ATOM 20380 H2 TIP3 4690 -13.527 -33.802 -17.971 1.00 0.00 WAT +ATOM 20381 OH2 TIP3 4691 -13.885 -34.233 -14.363 1.00 0.00 WAT +ATOM 20382 H1 TIP3 4691 -13.905 -34.753 -13.541 1.00 0.00 WAT +ATOM 20383 H2 TIP3 4691 -14.192 -34.884 -15.011 1.00 0.00 WAT +ATOM 20384 OH2 TIP3 4692 -21.430 -34.641 -12.698 1.00 0.00 WAT +ATOM 20385 H1 TIP3 4692 -21.457 -35.373 -12.056 1.00 0.00 WAT +ATOM 20386 H2 TIP3 4692 -20.741 -34.077 -12.321 1.00 0.00 WAT +ATOM 20387 OH2 TIP3 4693 -10.192 -31.456 -16.016 1.00 0.00 WAT +ATOM 20388 H1 TIP3 4693 -10.569 -32.175 -15.490 1.00 0.00 WAT +ATOM 20389 H2 TIP3 4693 -9.934 -30.837 -15.314 1.00 0.00 WAT +ATOM 20390 OH2 TIP3 4694 -20.599 -29.915 -14.201 1.00 0.00 WAT +ATOM 20391 H1 TIP3 4694 -21.056 -30.754 -14.401 1.00 0.00 WAT +ATOM 20392 H2 TIP3 4694 -19.715 -30.230 -13.977 1.00 0.00 WAT +ATOM 20393 OH2 TIP3 4695 -23.759 -36.650 -18.812 1.00 0.00 WAT +ATOM 20394 H1 TIP3 4695 -24.093 -35.752 -18.643 1.00 0.00 WAT +ATOM 20395 H2 TIP3 4695 -24.532 -37.072 -19.206 1.00 0.00 WAT +ATOM 20396 OH2 TIP3 4696 -23.000 -34.175 -17.012 1.00 0.00 WAT +ATOM 20397 H1 TIP3 4696 -22.852 -34.887 -16.362 1.00 0.00 WAT +ATOM 20398 H2 TIP3 4696 -22.110 -34.021 -17.347 1.00 0.00 WAT +ATOM 20399 OH2 TIP3 4697 -13.084 -26.062 -15.441 1.00 0.00 WAT +ATOM 20400 H1 TIP3 4697 -12.569 -26.841 -15.726 1.00 0.00 WAT +ATOM 20401 H2 TIP3 4697 -13.459 -26.381 -14.606 1.00 0.00 WAT +ATOM 20402 OH2 TIP3 4698 -15.393 -31.716 -13.802 1.00 0.00 WAT +ATOM 20403 H1 TIP3 4698 -15.058 -32.451 -14.342 1.00 0.00 WAT +ATOM 20404 H2 TIP3 4698 -14.599 -31.558 -13.254 1.00 0.00 WAT +ATOM 20405 OH2 TIP3 4699 -6.850 -40.172 -13.219 1.00 0.00 WAT +ATOM 20406 H1 TIP3 4699 -6.531 -39.738 -12.410 1.00 0.00 WAT +ATOM 20407 H2 TIP3 4699 -6.195 -39.847 -13.862 1.00 0.00 WAT +ATOM 20408 OH2 TIP3 4700 -12.113 -37.402 -13.260 1.00 0.00 WAT +ATOM 20409 H1 TIP3 4700 -11.924 -38.356 -13.246 1.00 0.00 WAT +ATOM 20410 H2 TIP3 4700 -12.214 -37.242 -14.212 1.00 0.00 WAT +ATOM 20411 OH2 TIP3 4701 -19.160 -39.414 -16.166 1.00 0.00 WAT +ATOM 20412 H1 TIP3 4701 -18.991 -38.560 -16.609 1.00 0.00 WAT +ATOM 20413 H2 TIP3 4701 -19.491 -39.936 -16.921 1.00 0.00 WAT +ATOM 20414 OH2 TIP3 4702 -11.256 -39.222 -17.842 1.00 0.00 WAT +ATOM 20415 H1 TIP3 4702 -10.657 -39.650 -17.198 1.00 0.00 WAT +ATOM 20416 H2 TIP3 4702 -10.621 -38.766 -18.413 1.00 0.00 WAT +ATOM 20417 OH2 TIP3 4703 -22.451 -36.657 -15.675 1.00 0.00 WAT +ATOM 20418 H1 TIP3 4703 -21.832 -37.129 -15.099 1.00 0.00 WAT +ATOM 20419 H2 TIP3 4703 -22.345 -37.132 -16.517 1.00 0.00 WAT +ATOM 20420 OH2 TIP3 4704 -17.056 -35.248 -16.245 1.00 0.00 WAT +ATOM 20421 H1 TIP3 4704 -16.364 -35.799 -15.829 1.00 0.00 WAT +ATOM 20422 H2 TIP3 4704 -17.574 -35.923 -16.720 1.00 0.00 WAT +ATOM 20423 OH2 TIP3 4705 -5.920 -38.487 -10.585 1.00 0.00 WAT +ATOM 20424 H1 TIP3 4705 -6.678 -37.962 -10.892 1.00 0.00 WAT +ATOM 20425 H2 TIP3 4705 -6.265 -38.859 -9.765 1.00 0.00 WAT +ATOM 20426 OH2 TIP3 4706 -20.359 -40.569 -12.015 1.00 0.00 WAT +ATOM 20427 H1 TIP3 4706 -20.677 -39.996 -12.734 1.00 0.00 WAT +ATOM 20428 H2 TIP3 4706 -21.022 -40.358 -11.326 1.00 0.00 WAT +ATOM 20429 OH2 TIP3 4707 -12.766 -30.753 -18.682 1.00 0.00 WAT +ATOM 20430 H1 TIP3 4707 -13.226 -31.078 -19.459 1.00 0.00 WAT +ATOM 20431 H2 TIP3 4707 -13.279 -29.957 -18.450 1.00 0.00 WAT +ATOM 20432 OH2 TIP3 4708 -17.427 -32.701 -11.929 1.00 0.00 WAT +ATOM 20433 H1 TIP3 4708 -18.148 -32.104 -11.636 1.00 0.00 WAT +ATOM 20434 H2 TIP3 4708 -16.790 -32.074 -12.315 1.00 0.00 WAT +ATOM 20435 OH2 TIP3 4709 -9.358 -40.143 -15.809 1.00 0.00 WAT +ATOM 20436 H1 TIP3 4709 -9.868 -40.597 -15.125 1.00 0.00 WAT +ATOM 20437 H2 TIP3 4709 -8.862 -39.497 -15.276 1.00 0.00 WAT +ATOM 20438 OH2 TIP3 4710 -20.735 -38.575 -14.064 1.00 0.00 WAT +ATOM 20439 H1 TIP3 4710 -20.121 -37.949 -13.624 1.00 0.00 WAT +ATOM 20440 H2 TIP3 4710 -20.161 -38.897 -14.794 1.00 0.00 WAT +ATOM 20441 OH2 TIP3 4711 -19.426 -30.816 -11.173 1.00 0.00 WAT +ATOM 20442 H1 TIP3 4711 -19.443 -29.893 -11.488 1.00 0.00 WAT +ATOM 20443 H2 TIP3 4711 -20.297 -30.854 -10.739 1.00 0.00 WAT +ATOM 20444 OH2 TIP3 4712 -23.083 -31.133 -20.316 1.00 0.00 WAT +ATOM 20445 H1 TIP3 4712 -23.308 -30.592 -21.088 1.00 0.00 WAT +ATOM 20446 H2 TIP3 4712 -22.912 -30.457 -19.620 1.00 0.00 WAT +ATOM 20447 OH2 TIP3 4713 -9.667 -29.637 -13.659 1.00 0.00 WAT +ATOM 20448 H1 TIP3 4713 -10.623 -29.492 -13.523 1.00 0.00 WAT +ATOM 20449 H2 TIP3 4713 -9.380 -28.737 -13.882 1.00 0.00 WAT +ATOM 20450 OH2 TIP3 4714 -9.224 -41.118 -11.808 1.00 0.00 WAT +ATOM 20451 H1 TIP3 4714 -10.029 -40.777 -12.230 1.00 0.00 WAT +ATOM 20452 H2 TIP3 4714 -8.561 -40.962 -12.506 1.00 0.00 WAT +ATOM 20453 OH2 TIP3 4715 -16.120 43.811 -14.774 1.00 0.00 WAT +ATOM 20454 H1 TIP3 4715 -16.164 42.852 -14.686 1.00 0.00 WAT +ATOM 20455 H2 TIP3 4715 -16.996 44.121 -14.467 1.00 0.00 WAT +ATOM 20456 OH2 TIP3 4716 -11.372 -27.821 -16.853 1.00 0.00 WAT +ATOM 20457 H1 TIP3 4716 -10.904 -28.591 -17.228 1.00 0.00 WAT +ATOM 20458 H2 TIP3 4716 -10.840 -27.083 -17.160 1.00 0.00 WAT +ATOM 20459 OH2 TIP3 4717 -9.874 -29.890 -18.380 1.00 0.00 WAT +ATOM 20460 H1 TIP3 4717 -10.485 -30.348 -18.978 1.00 0.00 WAT +ATOM 20461 H2 TIP3 4717 -9.916 -30.479 -17.600 1.00 0.00 WAT +ATOM 20462 OH2 TIP3 4718 -8.471 -31.047 -9.856 1.00 0.00 WAT +ATOM 20463 H1 TIP3 4718 -8.449 -31.660 -10.610 1.00 0.00 WAT +ATOM 20464 H2 TIP3 4718 -8.217 -30.196 -10.254 1.00 0.00 WAT +ATOM 20465 OH2 TIP3 4719 -14.098 -34.154 -20.148 1.00 0.00 WAT +ATOM 20466 H1 TIP3 4719 -14.770 -33.545 -20.512 1.00 0.00 WAT +ATOM 20467 H2 TIP3 4719 -13.396 -34.100 -20.816 1.00 0.00 WAT +ATOM 20468 OH2 TIP3 4720 -13.812 -35.938 -23.118 1.00 0.00 WAT +ATOM 20469 H1 TIP3 4720 -13.123 -35.650 -22.492 1.00 0.00 WAT +ATOM 20470 H2 TIP3 4720 -13.304 -36.539 -23.681 1.00 0.00 WAT +ATOM 20471 OH2 TIP3 4721 -6.611 -34.903 -11.932 1.00 0.00 WAT +ATOM 20472 H1 TIP3 4721 -7.328 -34.246 -11.820 1.00 0.00 WAT +ATOM 20473 H2 TIP3 4721 -6.132 -34.523 -12.694 1.00 0.00 WAT +ATOM 20474 OH2 TIP3 4722 -10.569 -34.141 -19.085 1.00 0.00 WAT +ATOM 20475 H1 TIP3 4722 -11.268 -33.924 -18.424 1.00 0.00 WAT +ATOM 20476 H2 TIP3 4722 -9.986 -34.707 -18.547 1.00 0.00 WAT +ATOM 20477 OH2 TIP3 4723 -10.750 -35.631 -10.249 1.00 0.00 WAT +ATOM 20478 H1 TIP3 4723 -10.681 -34.841 -9.686 1.00 0.00 WAT +ATOM 20479 H2 TIP3 4723 -11.384 -35.288 -10.904 1.00 0.00 WAT +ATOM 20480 OH2 TIP3 4724 -18.967 -33.372 -17.317 1.00 0.00 WAT +ATOM 20481 H1 TIP3 4724 -19.292 -33.815 -18.124 1.00 0.00 WAT +ATOM 20482 H2 TIP3 4724 -18.331 -34.022 -16.969 1.00 0.00 WAT +ATOM 20483 OH2 TIP3 4725 -17.569 -29.937 -14.587 1.00 0.00 WAT +ATOM 20484 H1 TIP3 4725 -17.727 -30.392 -15.423 1.00 0.00 WAT +ATOM 20485 H2 TIP3 4725 -16.799 -30.424 -14.234 1.00 0.00 WAT +ATOM 20486 OH2 TIP3 4726 -18.384 -34.607 -13.795 1.00 0.00 WAT +ATOM 20487 H1 TIP3 4726 -17.826 -34.519 -14.589 1.00 0.00 WAT +ATOM 20488 H2 TIP3 4726 -18.045 -33.897 -13.216 1.00 0.00 WAT +ATOM 20489 OH2 TIP3 4727 -12.445 -28.969 -13.181 1.00 0.00 WAT +ATOM 20490 H1 TIP3 4727 -12.373 -28.363 -12.427 1.00 0.00 WAT +ATOM 20491 H2 TIP3 4727 -12.689 -29.813 -12.764 1.00 0.00 WAT +ATOM 20492 OH2 TIP3 4728 -17.518 -30.230 -8.975 1.00 0.00 WAT +ATOM 20493 H1 TIP3 4728 -17.980 -29.570 -8.427 1.00 0.00 WAT +ATOM 20494 H2 TIP3 4728 -18.187 -30.426 -9.657 1.00 0.00 WAT +ATOM 20495 OH2 TIP3 4729 -11.614 -34.719 -21.619 1.00 0.00 WAT +ATOM 20496 H1 TIP3 4729 -11.161 -34.434 -20.796 1.00 0.00 WAT +ATOM 20497 H2 TIP3 4729 -11.123 -34.190 -22.294 1.00 0.00 WAT +ATOM 20498 OH2 TIP3 4730 -20.625 -33.867 -9.851 1.00 0.00 WAT +ATOM 20499 H1 TIP3 4730 -20.562 -33.267 -9.084 1.00 0.00 WAT +ATOM 20500 H2 TIP3 4730 -21.588 -33.964 -9.940 1.00 0.00 WAT +ATOM 20501 OH2 TIP3 4731 -14.094 -28.078 -18.112 1.00 0.00 WAT +ATOM 20502 H1 TIP3 4731 -13.692 -27.814 -17.276 1.00 0.00 WAT +ATOM 20503 H2 TIP3 4731 -14.648 -27.317 -18.342 1.00 0.00 WAT +ATOM 20504 OH2 TIP3 4732 -19.393 -27.922 -8.061 1.00 0.00 WAT +ATOM 20505 H1 TIP3 4732 -19.505 -27.960 -9.022 1.00 0.00 WAT +ATOM 20506 H2 TIP3 4732 -20.230 -28.258 -7.702 1.00 0.00 WAT +ATOM 20507 OH2 TIP3 4733 -8.428 -43.218 -22.408 1.00 0.00 WAT +ATOM 20508 H1 TIP3 4733 -8.886 -43.236 -21.554 1.00 0.00 WAT +ATOM 20509 H2 TIP3 4733 -7.652 -42.690 -22.170 1.00 0.00 WAT +ATOM 20510 OH2 TIP3 4734 -20.046 -34.643 -19.777 1.00 0.00 WAT +ATOM 20511 H1 TIP3 4734 -20.275 -33.866 -20.315 1.00 0.00 WAT +ATOM 20512 H2 TIP3 4734 -20.742 -35.266 -20.022 1.00 0.00 WAT +ATOM 20513 OH2 TIP3 4735 -6.804 -28.800 -23.589 1.00 0.00 WAT +ATOM 20514 H1 TIP3 4735 -6.660 -27.862 -23.351 1.00 0.00 WAT +ATOM 20515 H2 TIP3 4735 -5.943 -29.198 -23.363 1.00 0.00 WAT +ATOM 20516 OH2 TIP3 4736 -24.128 -31.942 -11.079 1.00 0.00 WAT +ATOM 20517 H1 TIP3 4736 -24.338 -31.850 -12.028 1.00 0.00 WAT +ATOM 20518 H2 TIP3 4736 -23.947 -32.894 -11.002 1.00 0.00 WAT +ATOM 20519 OH2 TIP3 4737 -6.306 -28.433 -8.600 1.00 0.00 WAT +ATOM 20520 H1 TIP3 4737 -5.689 -29.080 -8.245 1.00 0.00 WAT +ATOM 20521 H2 TIP3 4737 -6.760 -28.127 -7.810 1.00 0.00 WAT +ATOM 20522 OH2 TIP3 4738 -14.946 -28.837 -9.400 1.00 0.00 WAT +ATOM 20523 H1 TIP3 4738 -14.842 -28.135 -8.743 1.00 0.00 WAT +ATOM 20524 H2 TIP3 4738 -15.790 -29.242 -9.122 1.00 0.00 WAT +ATOM 20525 OH2 TIP3 4739 -14.667 -25.348 -19.592 1.00 0.00 WAT +ATOM 20526 H1 TIP3 4739 -14.682 -25.266 -20.561 1.00 0.00 WAT +ATOM 20527 H2 TIP3 4739 -14.551 -24.434 -19.296 1.00 0.00 WAT +ATOM 20528 OH2 TIP3 4740 -20.812 -26.250 -17.941 1.00 0.00 WAT +ATOM 20529 H1 TIP3 4740 -20.669 -26.700 -17.080 1.00 0.00 WAT +ATOM 20530 H2 TIP3 4740 -21.664 -26.625 -18.202 1.00 0.00 WAT +ATOM 20531 OH2 TIP3 4741 -11.315 -25.905 -22.420 1.00 0.00 WAT +ATOM 20532 H1 TIP3 4741 -10.772 -26.616 -22.816 1.00 0.00 WAT +ATOM 20533 H2 TIP3 4741 -11.323 -26.159 -21.478 1.00 0.00 WAT +ATOM 20534 OH2 TIP3 4742 -11.848 -26.157 -19.443 1.00 0.00 WAT +ATOM 20535 H1 TIP3 4742 -12.821 -26.109 -19.460 1.00 0.00 WAT +ATOM 20536 H2 TIP3 4742 -11.716 -27.070 -19.158 1.00 0.00 WAT +ATOM 20537 OH2 TIP3 4743 -8.769 -37.096 -7.939 1.00 0.00 WAT +ATOM 20538 H1 TIP3 4743 -9.288 -36.676 -8.638 1.00 0.00 WAT +ATOM 20539 H2 TIP3 4743 -8.707 -38.015 -8.255 1.00 0.00 WAT +ATOM 20540 OH2 TIP3 4744 -21.876 -30.397 -9.750 1.00 0.00 WAT +ATOM 20541 H1 TIP3 4744 -21.562 -30.925 -8.990 1.00 0.00 WAT +ATOM 20542 H2 TIP3 4744 -22.572 -30.949 -10.145 1.00 0.00 WAT +ATOM 20543 OH2 TIP3 4745 -18.601 -42.203 -13.874 1.00 0.00 WAT +ATOM 20544 H1 TIP3 4745 -19.426 -42.425 -14.327 1.00 0.00 WAT +ATOM 20545 H2 TIP3 4745 -18.839 -41.359 -13.461 1.00 0.00 WAT +ATOM 20546 OH2 TIP3 4746 -14.045 -42.635 -10.313 1.00 0.00 WAT +ATOM 20547 H1 TIP3 4746 -13.864 -43.075 -9.478 1.00 0.00 WAT +ATOM 20548 H2 TIP3 4746 -14.996 -42.772 -10.406 1.00 0.00 WAT +ATOM 20549 OH2 TIP3 4747 -11.075 -38.632 -9.890 1.00 0.00 WAT +ATOM 20550 H1 TIP3 4747 -11.657 -38.744 -9.117 1.00 0.00 WAT +ATOM 20551 H2 TIP3 4747 -11.127 -37.676 -10.068 1.00 0.00 WAT +ATOM 20552 OH2 TIP3 4748 -10.075 -33.608 -23.617 1.00 0.00 WAT +ATOM 20553 H1 TIP3 4748 -10.284 -33.795 -24.552 1.00 0.00 WAT +ATOM 20554 H2 TIP3 4748 -9.133 -33.374 -23.678 1.00 0.00 WAT +ATOM 20555 OH2 TIP3 4749 -14.426 -39.935 -23.161 1.00 0.00 WAT +ATOM 20556 H1 TIP3 4749 -14.967 -40.044 -22.353 1.00 0.00 WAT +ATOM 20557 H2 TIP3 4749 -14.924 -40.537 -23.757 1.00 0.00 WAT +ATOM 20558 OH2 TIP3 4750 -18.768 -37.163 -12.619 1.00 0.00 WAT +ATOM 20559 H1 TIP3 4750 -19.351 -37.022 -11.855 1.00 0.00 WAT +ATOM 20560 H2 TIP3 4750 -18.674 -36.252 -12.977 1.00 0.00 WAT +ATOM 20561 OH2 TIP3 4751 -18.819 -37.089 -17.727 1.00 0.00 WAT +ATOM 20562 H1 TIP3 4751 -19.777 -37.167 -17.889 1.00 0.00 WAT +ATOM 20563 H2 TIP3 4751 -18.471 -37.268 -18.622 1.00 0.00 WAT +ATOM 20564 OH2 TIP3 4752 -13.197 -36.518 -18.967 1.00 0.00 WAT +ATOM 20565 H1 TIP3 4752 -13.612 -35.687 -19.287 1.00 0.00 WAT +ATOM 20566 H2 TIP3 4752 -12.537 -36.676 -19.660 1.00 0.00 WAT +ATOM 20567 OH2 TIP3 4753 -14.005 -36.341 -7.669 1.00 0.00 WAT +ATOM 20568 H1 TIP3 4753 -14.525 -37.054 -7.250 1.00 0.00 WAT +ATOM 20569 H2 TIP3 4753 -13.147 -36.418 -7.210 1.00 0.00 WAT +ATOM 20570 OH2 TIP3 4754 -12.352 -37.115 -16.182 1.00 0.00 WAT +ATOM 20571 H1 TIP3 4754 -12.648 -36.535 -16.911 1.00 0.00 WAT +ATOM 20572 H2 TIP3 4754 -12.151 -37.924 -16.692 1.00 0.00 WAT +ATOM 20573 OH2 TIP3 4755 -21.400 -36.970 -10.809 1.00 0.00 WAT +ATOM 20574 H1 TIP3 4755 -21.123 -36.661 -9.939 1.00 0.00 WAT +ATOM 20575 H2 TIP3 4755 -21.786 -37.841 -10.594 1.00 0.00 WAT +ATOM 20576 OH2 TIP3 4756 -18.038 -39.418 -24.215 1.00 0.00 WAT +ATOM 20577 H1 TIP3 4756 -18.377 -39.775 -23.373 1.00 0.00 WAT +ATOM 20578 H2 TIP3 4756 -18.842 -39.286 -24.731 1.00 0.00 WAT +ATOM 20579 OH2 TIP3 4757 -24.618 -39.610 -17.149 1.00 0.00 WAT +ATOM 20580 H1 TIP3 4757 -24.043 -39.540 -16.361 1.00 0.00 WAT +ATOM 20581 H2 TIP3 4757 -24.016 -39.921 -17.834 1.00 0.00 WAT +ATOM 20582 OH2 TIP3 4758 -23.011 -39.119 -21.444 1.00 0.00 WAT +ATOM 20583 H1 TIP3 4758 -22.453 -38.608 -22.062 1.00 0.00 WAT +ATOM 20584 H2 TIP3 4758 -23.705 -38.461 -21.243 1.00 0.00 WAT +ATOM 20585 OH2 TIP3 4759 -13.280 -35.433 -11.750 1.00 0.00 WAT +ATOM 20586 H1 TIP3 4759 -12.824 -36.165 -12.223 1.00 0.00 WAT +ATOM 20587 H2 TIP3 4759 -13.571 -35.873 -10.940 1.00 0.00 WAT +ATOM 20588 OH2 TIP3 4760 -16.049 -39.439 -16.754 1.00 0.00 WAT +ATOM 20589 H1 TIP3 4760 -16.986 -39.578 -16.536 1.00 0.00 WAT +ATOM 20590 H2 TIP3 4760 -15.616 -39.711 -15.928 1.00 0.00 WAT +ATOM 20591 OH2 TIP3 4761 -21.489 -38.275 -18.031 1.00 0.00 WAT +ATOM 20592 H1 TIP3 4761 -22.288 -37.967 -18.499 1.00 0.00 WAT +ATOM 20593 H2 TIP3 4761 -21.223 -39.077 -18.520 1.00 0.00 WAT +ATOM 20594 OH2 TIP3 4762 -17.858 -37.918 -20.346 1.00 0.00 WAT +ATOM 20595 H1 TIP3 4762 -16.888 -37.842 -20.304 1.00 0.00 WAT +ATOM 20596 H2 TIP3 4762 -18.106 -37.318 -21.071 1.00 0.00 WAT +ATOM 20597 OH2 TIP3 4763 -11.704 -40.328 -13.714 1.00 0.00 WAT +ATOM 20598 H1 TIP3 4763 -12.322 -40.344 -12.953 1.00 0.00 WAT +ATOM 20599 H2 TIP3 4763 -12.303 -40.636 -14.416 1.00 0.00 WAT +ATOM 20600 OH2 TIP3 4764 -19.390 -36.719 -22.592 1.00 0.00 WAT +ATOM 20601 H1 TIP3 4764 -19.971 -36.961 -23.328 1.00 0.00 WAT +ATOM 20602 H2 TIP3 4764 -18.574 -36.486 -23.069 1.00 0.00 WAT +ATOM 20603 OH2 TIP3 4765 -20.749 -31.972 -7.615 1.00 0.00 WAT +ATOM 20604 H1 TIP3 4765 -20.056 -31.886 -6.924 1.00 0.00 WAT +ATOM 20605 H2 TIP3 4765 -21.541 -31.934 -7.048 1.00 0.00 WAT +ATOM 20606 OH2 TIP3 4766 -15.034 -36.942 -14.892 1.00 0.00 WAT +ATOM 20607 H1 TIP3 4766 -14.305 -37.383 -15.353 1.00 0.00 WAT +ATOM 20608 H2 TIP3 4766 -15.199 -37.551 -14.146 1.00 0.00 WAT +ATOM 20609 OH2 TIP3 4767 -19.906 -40.663 -18.686 1.00 0.00 WAT +ATOM 20610 H1 TIP3 4767 -20.345 -41.520 -18.540 1.00 0.00 WAT +ATOM 20611 H2 TIP3 4767 -19.038 -40.935 -19.021 1.00 0.00 WAT +ATOM 20612 OH2 TIP3 4768 -16.067 -38.489 -12.626 1.00 0.00 WAT +ATOM 20613 H1 TIP3 4768 -16.822 -37.878 -12.634 1.00 0.00 WAT +ATOM 20614 H2 TIP3 4768 -15.572 -38.213 -11.827 1.00 0.00 WAT +ATOM 20615 OH2 TIP3 4769 -15.916 -32.099 -20.747 1.00 0.00 WAT +ATOM 20616 H1 TIP3 4769 -16.681 -32.600 -21.101 1.00 0.00 WAT +ATOM 20617 H2 TIP3 4769 -16.131 -32.037 -19.787 1.00 0.00 WAT +ATOM 20618 OH2 TIP3 4770 -8.678 -32.973 -12.041 1.00 0.00 WAT +ATOM 20619 H1 TIP3 4770 -8.197 -32.401 -12.679 1.00 0.00 WAT +ATOM 20620 H2 TIP3 4770 -9.553 -33.045 -12.468 1.00 0.00 WAT +ATOM 20621 OH2 TIP3 4771 -11.756 -39.283 -23.153 1.00 0.00 WAT +ATOM 20622 H1 TIP3 4771 -12.735 -39.385 -23.105 1.00 0.00 WAT +ATOM 20623 H2 TIP3 4771 -11.569 -38.631 -22.448 1.00 0.00 WAT +ATOM 20624 OH2 TIP3 4772 -14.342 -32.004 -9.441 1.00 0.00 WAT +ATOM 20625 H1 TIP3 4772 -14.557 -32.352 -8.564 1.00 0.00 WAT +ATOM 20626 H2 TIP3 4772 -14.598 -31.076 -9.359 1.00 0.00 WAT +ATOM 20627 OH2 TIP3 4773 -11.100 -37.497 -20.996 1.00 0.00 WAT +ATOM 20628 H1 TIP3 4773 -10.242 -37.632 -20.546 1.00 0.00 WAT +ATOM 20629 H2 TIP3 4773 -11.004 -36.596 -21.356 1.00 0.00 WAT +ATOM 20630 OH2 TIP3 4774 -20.772 -32.722 -14.911 1.00 0.00 WAT +ATOM 20631 H1 TIP3 4774 -20.214 -32.814 -15.698 1.00 0.00 WAT +ATOM 20632 H2 TIP3 4774 -20.719 -33.600 -14.505 1.00 0.00 WAT +ATOM 20633 OH2 TIP3 4775 -13.537 -30.724 -21.857 1.00 0.00 WAT +ATOM 20634 H1 TIP3 4775 -13.778 -29.875 -21.432 1.00 0.00 WAT +ATOM 20635 H2 TIP3 4775 -14.266 -31.295 -21.555 1.00 0.00 WAT +ATOM 20636 OH2 TIP3 4776 -23.531 -34.429 -9.653 1.00 0.00 WAT +ATOM 20637 H1 TIP3 4776 -23.356 -34.885 -8.807 1.00 0.00 WAT +ATOM 20638 H2 TIP3 4776 -24.109 -35.050 -10.124 1.00 0.00 WAT +ATOM 20639 OH2 TIP3 4777 -16.558 -34.948 -7.668 1.00 0.00 WAT +ATOM 20640 H1 TIP3 4777 -16.885 -35.162 -8.558 1.00 0.00 WAT +ATOM 20641 H2 TIP3 4777 -15.614 -35.167 -7.766 1.00 0.00 WAT +ATOM 20642 OH2 TIP3 4778 -12.007 -29.457 -9.898 1.00 0.00 WAT +ATOM 20643 H1 TIP3 4778 -12.951 -29.238 -9.895 1.00 0.00 WAT +ATOM 20644 H2 TIP3 4778 -11.742 -29.216 -8.991 1.00 0.00 WAT +ATOM 20645 OH2 TIP3 4779 -6.479 -37.470 -21.187 1.00 0.00 WAT +ATOM 20646 H1 TIP3 4779 -7.050 -37.665 -21.956 1.00 0.00 WAT +ATOM 20647 H2 TIP3 4779 -6.368 -36.509 -21.318 1.00 0.00 WAT +ATOM 20648 OH2 TIP3 4780 -6.095 -31.576 -8.365 1.00 0.00 WAT +ATOM 20649 H1 TIP3 4780 -6.944 -31.109 -8.496 1.00 0.00 WAT +ATOM 20650 H2 TIP3 4780 -5.670 -31.426 -9.226 1.00 0.00 WAT +ATOM 20651 OH2 TIP3 4781 -8.271 -28.794 -21.049 1.00 0.00 WAT +ATOM 20652 H1 TIP3 4781 -8.555 -29.568 -20.536 1.00 0.00 WAT +ATOM 20653 H2 TIP3 4781 -7.779 -29.187 -21.783 1.00 0.00 WAT +ATOM 20654 OH2 TIP3 4782 -11.032 -33.487 -13.726 1.00 0.00 WAT +ATOM 20655 H1 TIP3 4782 -11.971 -33.646 -13.939 1.00 0.00 WAT +ATOM 20656 H2 TIP3 4782 -10.602 -34.221 -14.204 1.00 0.00 WAT +ATOM 20657 OH2 TIP3 4783 -18.387 -29.444 -17.765 1.00 0.00 WAT +ATOM 20658 H1 TIP3 4783 -18.008 -28.551 -17.780 1.00 0.00 WAT +ATOM 20659 H2 TIP3 4783 -19.333 -29.256 -17.834 1.00 0.00 WAT +ATOM 20660 OH2 TIP3 4784 -22.417 -34.619 -23.066 1.00 0.00 WAT +ATOM 20661 H1 TIP3 4784 -21.839 -33.948 -22.657 1.00 0.00 WAT +ATOM 20662 H2 TIP3 4784 -23.289 -34.357 -22.712 1.00 0.00 WAT +ATOM 20663 OH2 TIP3 4785 -16.569 -31.715 -18.066 1.00 0.00 WAT +ATOM 20664 H1 TIP3 4785 -16.910 -30.816 -17.916 1.00 0.00 WAT +ATOM 20665 H2 TIP3 4785 -17.253 -32.243 -17.626 1.00 0.00 WAT +ATOM 20666 OH2 TIP3 4786 -16.381 -27.512 -11.686 1.00 0.00 WAT +ATOM 20667 H1 TIP3 4786 -15.816 -26.772 -11.963 1.00 0.00 WAT +ATOM 20668 H2 TIP3 4786 -15.803 -27.963 -11.045 1.00 0.00 WAT +ATOM 20669 OH2 TIP3 4787 -17.960 -26.511 -18.483 1.00 0.00 WAT +ATOM 20670 H1 TIP3 4787 -18.919 -26.406 -18.353 1.00 0.00 WAT +ATOM 20671 H2 TIP3 4787 -17.630 -25.637 -18.211 1.00 0.00 WAT +ATOM 20672 OH2 TIP3 4788 -13.017 -31.717 -12.147 1.00 0.00 WAT +ATOM 20673 H1 TIP3 4788 -13.294 -31.934 -11.238 1.00 0.00 WAT +ATOM 20674 H2 TIP3 4788 -12.247 -32.297 -12.262 1.00 0.00 WAT +ATOM 20675 OH2 TIP3 4789 -10.815 -30.393 -23.193 1.00 0.00 WAT +ATOM 20676 H1 TIP3 4789 -10.421 -30.890 -22.451 1.00 0.00 WAT +ATOM 20677 H2 TIP3 4789 -11.754 -30.535 -22.980 1.00 0.00 WAT +ATOM 20678 OH2 TIP3 4790 -9.789 -27.102 -9.608 1.00 0.00 WAT +ATOM 20679 H1 TIP3 4790 -10.660 -27.420 -9.885 1.00 0.00 WAT +ATOM 20680 H2 TIP3 4790 -9.764 -26.189 -9.930 1.00 0.00 WAT +ATOM 20681 OH2 TIP3 4791 -6.136 -26.125 -22.691 1.00 0.00 WAT +ATOM 20682 H1 TIP3 4791 -5.456 -25.472 -22.931 1.00 0.00 WAT +ATOM 20683 H2 TIP3 4791 -6.900 -25.533 -22.600 1.00 0.00 WAT +ATOM 20684 OH2 TIP3 4792 -22.195 -39.611 -10.065 1.00 0.00 WAT +ATOM 20685 H1 TIP3 4792 -23.103 -39.423 -10.389 1.00 0.00 WAT +ATOM 20686 H2 TIP3 4792 -22.360 -40.478 -9.637 1.00 0.00 WAT +ATOM 20687 OH2 TIP3 4793 -9.861 -31.803 -20.846 1.00 0.00 WAT +ATOM 20688 H1 TIP3 4793 -10.159 -32.506 -20.242 1.00 0.00 WAT +ATOM 20689 H2 TIP3 4793 -8.899 -31.823 -20.714 1.00 0.00 WAT +ATOM 20690 OH2 TIP3 4794 -22.426 -27.887 -11.594 1.00 0.00 WAT +ATOM 20691 H1 TIP3 4794 -22.364 -28.843 -11.731 1.00 0.00 WAT +ATOM 20692 H2 TIP3 4794 -22.072 -27.798 -10.706 1.00 0.00 WAT +ATOM 20693 OH2 TIP3 4795 -16.579 -29.368 -24.630 1.00 0.00 WAT +ATOM 20694 H1 TIP3 4795 -16.311 -30.170 -25.116 1.00 0.00 WAT +ATOM 20695 H2 TIP3 4795 -17.016 -29.755 -23.850 1.00 0.00 WAT +ATOM 20696 OH2 TIP3 4796 -17.723 -29.840 -21.947 1.00 0.00 WAT +ATOM 20697 H1 TIP3 4796 -17.277 -30.374 -21.275 1.00 0.00 WAT +ATOM 20698 H2 TIP3 4796 -17.613 -28.932 -21.593 1.00 0.00 WAT +ATOM 20699 OH2 TIP3 4797 -20.914 -32.408 -21.536 1.00 0.00 WAT +ATOM 20700 H1 TIP3 4797 -21.644 -32.036 -20.998 1.00 0.00 WAT +ATOM 20701 H2 TIP3 4797 -20.445 -31.595 -21.785 1.00 0.00 WAT +ATOM 20702 OH2 TIP3 4798 -13.273 -40.093 -11.429 1.00 0.00 WAT +ATOM 20703 H1 TIP3 4798 -12.677 -39.797 -10.726 1.00 0.00 WAT +ATOM 20704 H2 TIP3 4798 -13.645 -40.919 -11.070 1.00 0.00 WAT +ATOM 20705 OH2 TIP3 4799 -12.479 -40.577 -20.262 1.00 0.00 WAT +ATOM 20706 H1 TIP3 4799 -12.450 -39.963 -21.009 1.00 0.00 WAT +ATOM 20707 H2 TIP3 4799 -12.145 -40.024 -19.536 1.00 0.00 WAT +ATOM 20708 OH2 TIP3 4800 -14.741 -28.173 -21.292 1.00 0.00 WAT +ATOM 20709 H1 TIP3 4800 -15.587 -27.738 -21.094 1.00 0.00 WAT +ATOM 20710 H2 TIP3 4800 -14.492 -27.757 -22.129 1.00 0.00 WAT +ATOM 20711 OH2 TIP3 4801 -15.161 -38.515 -19.260 1.00 0.00 WAT +ATOM 20712 H1 TIP3 4801 -14.430 -37.879 -19.111 1.00 0.00 WAT +ATOM 20713 H2 TIP3 4801 -15.471 -38.676 -18.345 1.00 0.00 WAT +ATOM 20714 OH2 TIP3 4802 -14.846 -37.625 -10.140 1.00 0.00 WAT +ATOM 20715 H1 TIP3 4802 -14.771 -37.090 -9.329 1.00 0.00 WAT +ATOM 20716 H2 TIP3 4802 -14.253 -38.360 -9.945 1.00 0.00 WAT +ATOM 20717 OH2 TIP3 4803 -14.446 -41.730 -18.249 1.00 0.00 WAT +ATOM 20718 H1 TIP3 4803 -14.788 -40.974 -17.742 1.00 0.00 WAT +ATOM 20719 H2 TIP3 4803 -13.912 -41.288 -18.932 1.00 0.00 WAT +ATOM 20720 OH2 TIP3 4804 -17.578 -27.151 -21.292 1.00 0.00 WAT +ATOM 20721 H1 TIP3 4804 -17.664 -26.327 -21.816 1.00 0.00 WAT +ATOM 20722 H2 TIP3 4804 -17.744 -26.830 -20.385 1.00 0.00 WAT +ATOM 20723 OH2 TIP3 4805 -18.909 -40.504 -21.774 1.00 0.00 WAT +ATOM 20724 H1 TIP3 4805 -18.885 -39.691 -21.237 1.00 0.00 WAT +ATOM 20725 H2 TIP3 4805 -18.036 -40.879 -21.546 1.00 0.00 WAT +ATOM 20726 OH2 TIP3 4806 -8.459 -39.637 -9.322 1.00 0.00 WAT +ATOM 20727 H1 TIP3 4806 -9.425 -39.527 -9.419 1.00 0.00 WAT +ATOM 20728 H2 TIP3 4806 -8.246 -39.862 -10.239 1.00 0.00 WAT +ATOM 20729 OH2 TIP3 4807 -10.026 -35.749 -15.252 1.00 0.00 WAT +ATOM 20730 H1 TIP3 4807 -10.860 -36.195 -15.488 1.00 0.00 WAT +ATOM 20731 H2 TIP3 4807 -9.548 -36.455 -14.763 1.00 0.00 WAT +ATOM 20732 OH2 TIP3 4808 -20.472 -29.587 -22.777 1.00 0.00 WAT +ATOM 20733 H1 TIP3 4808 -19.742 -29.103 -22.355 1.00 0.00 WAT +ATOM 20734 H2 TIP3 4808 -19.967 -30.108 -23.421 1.00 0.00 WAT +ATOM 20735 OH2 TIP3 4809 -22.322 -37.438 -23.660 1.00 0.00 WAT +ATOM 20736 H1 TIP3 4809 -22.201 -36.499 -23.420 1.00 0.00 WAT +ATOM 20737 H2 TIP3 4809 -23.207 -37.430 -24.047 1.00 0.00 WAT +ATOM 20738 OH2 TIP3 4810 -9.110 -26.671 -13.820 1.00 0.00 WAT +ATOM 20739 H1 TIP3 4810 -9.000 -25.869 -14.360 1.00 0.00 WAT +ATOM 20740 H2 TIP3 4810 -8.236 -26.729 -13.404 1.00 0.00 WAT +ATOM 20741 OH2 TIP3 4811 -22.221 -42.438 -14.681 1.00 0.00 WAT +ATOM 20742 H1 TIP3 4811 -21.803 -42.414 -15.550 1.00 0.00 WAT +ATOM 20743 H2 TIP3 4811 -21.973 -43.337 -14.413 1.00 0.00 WAT +ATOM 20744 OH2 TIP3 4812 -22.523 -28.956 -18.666 1.00 0.00 WAT +ATOM 20745 H1 TIP3 4812 -23.229 -28.466 -18.218 1.00 0.00 WAT +ATOM 20746 H2 TIP3 4812 -22.183 -28.309 -19.303 1.00 0.00 WAT +ATOM 20747 OH2 TIP3 4813 -23.087 -25.970 -7.414 1.00 0.00 WAT +ATOM 20748 H1 TIP3 4813 -22.456 -26.349 -6.786 1.00 0.00 WAT +ATOM 20749 H2 TIP3 4813 -23.495 -26.788 -7.765 1.00 0.00 WAT +ATOM 20750 OH2 TIP3 4814 -14.373 -27.674 -24.120 1.00 0.00 WAT +ATOM 20751 H1 TIP3 4814 -15.143 -28.276 -24.227 1.00 0.00 WAT +ATOM 20752 H2 TIP3 4814 -13.674 -28.233 -24.495 1.00 0.00 WAT +ATOM 20753 OH2 TIP3 4815 -11.728 -28.746 -7.065 1.00 0.00 WAT +ATOM 20754 H1 TIP3 4815 -12.270 -29.441 -6.649 1.00 0.00 WAT +ATOM 20755 H2 TIP3 4815 -11.122 -28.531 -6.343 1.00 0.00 WAT +ATOM 20756 OH2 TIP3 4816 -9.744 -27.740 -24.006 1.00 0.00 WAT +ATOM 20757 H1 TIP3 4816 -9.630 -28.575 -23.520 1.00 0.00 WAT +ATOM 20758 H2 TIP3 4816 -8.951 -27.720 -24.569 1.00 0.00 WAT +ATOM 20759 OH2 TIP3 4817 -23.182 -32.359 -6.304 1.00 0.00 WAT +ATOM 20760 H1 TIP3 4817 -23.061 -33.246 -6.676 1.00 0.00 WAT +ATOM 20761 H2 TIP3 4817 -23.926 -32.035 -6.847 1.00 0.00 WAT +ATOM 20762 OH2 TIP3 4818 -18.939 -31.929 -24.299 1.00 0.00 WAT +ATOM 20763 H1 TIP3 4818 -18.793 -32.515 -23.537 1.00 0.00 WAT +ATOM 20764 H2 TIP3 4818 -18.073 -31.982 -24.742 1.00 0.00 WAT +ATOM 20765 OH2 TIP3 4819 -16.530 -32.144 -6.947 1.00 0.00 WAT +ATOM 20766 H1 TIP3 4819 -16.812 -31.783 -7.805 1.00 0.00 WAT +ATOM 20767 H2 TIP3 4819 -16.464 -33.103 -7.119 1.00 0.00 WAT +ATOM 20768 OH2 TIP3 4820 -13.683 -30.596 -24.683 1.00 0.00 WAT +ATOM 20769 H1 TIP3 4820 -13.761 -30.643 -23.712 1.00 0.00 WAT +ATOM 20770 H2 TIP3 4820 -13.752 -31.550 -24.901 1.00 0.00 WAT +ATOM 20771 OH2 TIP3 4821 -11.165 -32.508 -9.604 1.00 0.00 WAT +ATOM 20772 H1 TIP3 4821 -10.362 -31.974 -9.736 1.00 0.00 WAT +ATOM 20773 H2 TIP3 4821 -11.839 -31.811 -9.562 1.00 0.00 WAT +ATOM 20774 OH2 TIP3 4822 -22.307 -35.259 -7.143 1.00 0.00 WAT +ATOM 20775 H1 TIP3 4822 -21.536 -35.852 -7.124 1.00 0.00 WAT +ATOM 20776 H2 TIP3 4822 -22.338 -34.982 -6.212 1.00 0.00 WAT +ATOM 20777 OH2 TIP3 4823 -17.860 -33.844 -21.960 1.00 0.00 WAT +ATOM 20778 H1 TIP3 4823 -18.471 -34.341 -21.395 1.00 0.00 WAT +ATOM 20779 H2 TIP3 4823 -17.564 -34.538 -22.584 1.00 0.00 WAT +ATOM 20780 OH2 TIP3 4824 -18.653 -36.095 -9.710 1.00 0.00 WAT +ATOM 20781 H1 TIP3 4824 -19.184 -35.302 -9.509 1.00 0.00 WAT +ATOM 20782 H2 TIP3 4824 -17.991 -35.730 -10.325 1.00 0.00 WAT +ATOM 20783 OH2 TIP3 4825 -16.912 -35.832 -23.694 1.00 0.00 WAT +ATOM 20784 H1 TIP3 4825 -16.953 -35.760 -24.665 1.00 0.00 WAT +ATOM 20785 H2 TIP3 4825 -15.949 -35.873 -23.543 1.00 0.00 WAT +ATOM 20786 OH2 TIP3 4826 -13.368 -33.397 -6.188 1.00 0.00 WAT +ATOM 20787 H1 TIP3 4826 -12.438 -33.524 -6.421 1.00 0.00 WAT +ATOM 20788 H2 TIP3 4826 -13.567 -34.209 -5.704 1.00 0.00 WAT +ATOM 20789 OH2 TIP3 4827 -7.380 -33.310 -24.377 1.00 0.00 WAT +ATOM 20790 H1 TIP3 4827 -7.495 -33.747 -25.233 1.00 0.00 WAT +ATOM 20791 H2 TIP3 4827 -7.513 -32.369 -24.626 1.00 0.00 WAT +ATOM 20792 OH2 TIP3 4828 -18.063 -38.796 -8.597 1.00 0.00 WAT +ATOM 20793 H1 TIP3 4828 -17.960 -39.431 -9.323 1.00 0.00 WAT +ATOM 20794 H2 TIP3 4828 -18.253 -37.972 -9.082 1.00 0.00 WAT +ATOM 20795 OH2 TIP3 4829 -17.665 -40.381 -11.180 1.00 0.00 WAT +ATOM 20796 H1 TIP3 4829 -17.135 -39.814 -11.778 1.00 0.00 WAT +ATOM 20797 H2 TIP3 4829 -18.574 -40.252 -11.518 1.00 0.00 WAT +ATOM 20798 OH2 TIP3 4830 -16.165 -34.879 -10.710 1.00 0.00 WAT +ATOM 20799 H1 TIP3 4830 -15.325 -34.946 -11.189 1.00 0.00 WAT +ATOM 20800 H2 TIP3 4830 -16.481 -34.003 -11.009 1.00 0.00 WAT +ATOM 20801 OH2 TIP3 4831 -11.606 -36.939 -5.940 1.00 0.00 WAT +ATOM 20802 H1 TIP3 4831 -11.364 -37.862 -5.767 1.00 0.00 WAT +ATOM 20803 H2 TIP3 4831 -10.735 -36.512 -5.969 1.00 0.00 WAT +ATOM 20804 OH2 TIP3 4832 -10.595 -34.171 -7.486 1.00 0.00 WAT +ATOM 20805 H1 TIP3 4832 -10.955 -33.530 -8.135 1.00 0.00 WAT +ATOM 20806 H2 TIP3 4832 -9.684 -34.261 -7.830 1.00 0.00 WAT +ATOM 20807 OH2 TIP3 4833 -19.845 -36.969 -6.745 1.00 0.00 WAT +ATOM 20808 H1 TIP3 4833 -20.349 -37.800 -6.772 1.00 0.00 WAT +ATOM 20809 H2 TIP3 4833 -19.032 -37.218 -7.210 1.00 0.00 WAT +ATOM 20810 OH2 TIP3 4834 -17.203 -42.775 -9.947 1.00 0.00 WAT +ATOM 20811 H1 TIP3 4834 -17.060 -41.874 -10.305 1.00 0.00 WAT +ATOM 20812 H2 TIP3 4834 -18.135 -42.880 -10.175 1.00 0.00 WAT +ATOM 20813 OH2 TIP3 4835 -15.707 -38.464 -6.999 1.00 0.00 WAT +ATOM 20814 H1 TIP3 4835 -16.030 -38.696 -6.111 1.00 0.00 WAT +ATOM 20815 H2 TIP3 4835 -16.521 -38.632 -7.517 1.00 0.00 WAT +ATOM 20816 OH2 TIP3 4836 -13.136 -39.470 -8.035 1.00 0.00 WAT +ATOM 20817 H1 TIP3 4836 -14.016 -39.293 -7.652 1.00 0.00 WAT +ATOM 20818 H2 TIP3 4836 -12.760 -40.091 -7.386 1.00 0.00 WAT +ATOM 20819 OH2 TIP3 4837 -11.398 -41.377 -6.329 1.00 0.00 WAT +ATOM 20820 H1 TIP3 4837 -11.549 -42.239 -5.925 1.00 0.00 WAT +ATOM 20821 H2 TIP3 4837 -11.531 -40.764 -5.587 1.00 0.00 WAT +ATOM 20822 OH2 TIP3 4838 -21.035 -39.604 -6.888 1.00 0.00 WAT +ATOM 20823 H1 TIP3 4838 -21.311 -40.195 -7.608 1.00 0.00 WAT +ATOM 20824 H2 TIP3 4838 -21.506 -39.973 -6.126 1.00 0.00 WAT +ATOM 20825 OH2 TIP3 4839 -16.094 -41.487 -5.863 1.00 0.00 WAT +ATOM 20826 H1 TIP3 4839 -16.337 -42.285 -6.367 1.00 0.00 WAT +ATOM 20827 H2 TIP3 4839 -16.921 -40.974 -5.842 1.00 0.00 WAT +ATOM 20828 OH2 TIP3 4840 -17.138 -24.575 -22.585 1.00 0.00 WAT +ATOM 20829 H1 TIP3 4840 -16.177 -24.489 -22.504 1.00 0.00 WAT +ATOM 20830 H2 TIP3 4840 -17.288 -24.161 -23.444 1.00 0.00 WAT +ATOM 20831 OH2 TIP3 4841 -23.238 -30.181 -23.101 1.00 0.00 WAT +ATOM 20832 H1 TIP3 4841 -22.289 -30.010 -22.919 1.00 0.00 WAT +ATOM 20833 H2 TIP3 4841 -23.200 -30.992 -23.644 1.00 0.00 WAT +ATOM 20834 OH2 TIP3 4842 -24.211 -25.024 -18.338 1.00 0.00 WAT +ATOM 20835 H1 TIP3 4842 -24.948 -25.389 -18.864 1.00 0.00 WAT +ATOM 20836 H2 TIP3 4842 -24.109 -25.704 -17.641 1.00 0.00 WAT +ATOM 20837 OH2 TIP3 4843 -23.769 -27.008 -16.336 1.00 0.00 WAT +ATOM 20838 H1 TIP3 4843 -24.177 -27.853 -16.046 1.00 0.00 WAT +ATOM 20839 H2 TIP3 4843 -23.466 -26.698 -15.468 1.00 0.00 WAT +ATOM 20840 OH2 TIP3 4844 -6.294 -25.717 -13.319 1.00 0.00 WAT +ATOM 20841 H1 TIP3 4844 -6.240 -25.773 -12.344 1.00 0.00 WAT +ATOM 20842 H2 TIP3 4844 -5.374 -25.526 -13.548 1.00 0.00 WAT +ATOM 20843 OH2 TIP3 4845 -6.323 -26.125 -10.509 1.00 0.00 WAT +ATOM 20844 H1 TIP3 4845 -7.009 -26.792 -10.671 1.00 0.00 WAT +ATOM 20845 H2 TIP3 4845 -5.962 -26.490 -9.684 1.00 0.00 WAT +ATOM 20846 OH2 TIP3 4846 -8.235 -30.648 -5.983 1.00 0.00 WAT +ATOM 20847 H1 TIP3 4846 -9.167 -30.578 -5.718 1.00 0.00 WAT +ATOM 20848 H2 TIP3 4846 -7.860 -29.847 -5.574 1.00 0.00 WAT +ATOM 20849 OH2 TIP3 4847 -6.985 -31.955 -20.444 1.00 0.00 WAT +ATOM 20850 H1 TIP3 4847 -6.097 -31.638 -20.213 1.00 0.00 WAT +ATOM 20851 H2 TIP3 4847 -7.131 -32.593 -19.722 1.00 0.00 WAT +ATOM 20852 OH2 TIP3 4848 -6.542 -33.986 -18.472 1.00 0.00 WAT +ATOM 20853 H1 TIP3 4848 -7.236 -34.535 -18.051 1.00 0.00 WAT +ATOM 20854 H2 TIP3 4848 -5.884 -33.873 -17.762 1.00 0.00 WAT +ATOM 20855 OH2 TIP3 4849 -6.842 -31.500 -13.486 1.00 0.00 WAT +ATOM 20856 H1 TIP3 4849 -6.165 -31.954 -14.010 1.00 0.00 WAT +ATOM 20857 H2 TIP3 4849 -6.721 -30.572 -13.743 1.00 0.00 WAT +ATOM 20858 OH2 TIP3 4850 -8.100 -28.494 -11.357 1.00 0.00 WAT +ATOM 20859 H1 TIP3 4850 -8.689 -28.131 -10.664 1.00 0.00 WAT +ATOM 20860 H2 TIP3 4850 -8.711 -28.952 -11.953 1.00 0.00 WAT +ATOM 20861 OH2 TIP3 4851 -6.258 -34.514 -21.898 1.00 0.00 WAT +ATOM 20862 H1 TIP3 4851 -6.799 -34.257 -22.669 1.00 0.00 WAT +ATOM 20863 H2 TIP3 4851 -6.453 -33.787 -21.287 1.00 0.00 WAT +ATOM 20864 OH2 TIP3 4852 -8.020 -36.972 -23.631 1.00 0.00 WAT +ATOM 20865 H1 TIP3 4852 -7.744 -36.397 -24.357 1.00 0.00 WAT +ATOM 20866 H2 TIP3 4852 -8.274 -37.791 -24.095 1.00 0.00 WAT +ATOM 20867 OH2 TIP3 4853 -8.594 -35.829 -17.646 1.00 0.00 WAT +ATOM 20868 H1 TIP3 4853 -8.677 -36.781 -17.823 1.00 0.00 WAT +ATOM 20869 H2 TIP3 4853 -8.986 -35.751 -16.751 1.00 0.00 WAT +ATOM 20870 OH2 TIP3 4854 -23.903 -33.668 -13.854 1.00 0.00 WAT +ATOM 20871 H1 TIP3 4854 -23.825 -33.281 -14.741 1.00 0.00 WAT +ATOM 20872 H2 TIP3 4854 -22.970 -33.688 -13.575 1.00 0.00 WAT +ATOM 20873 OH2 TIP3 4855 -7.974 -33.901 -8.513 1.00 0.00 WAT +ATOM 20874 H1 TIP3 4855 -7.241 -34.508 -8.299 1.00 0.00 WAT +ATOM 20875 H2 TIP3 4855 -7.505 -33.064 -8.672 1.00 0.00 WAT +ATOM 20876 OH2 TIP3 4856 -6.449 -35.828 -7.291 1.00 0.00 WAT +ATOM 20877 H1 TIP3 4856 -7.242 -36.361 -7.509 1.00 0.00 WAT +ATOM 20878 H2 TIP3 4856 -5.750 -36.506 -7.304 1.00 0.00 WAT +ATOM 20879 OH2 TIP3 4857 -8.603 -39.674 -24.447 1.00 0.00 WAT +ATOM 20880 H1 TIP3 4857 -8.010 -40.127 -23.821 1.00 0.00 WAT +ATOM 20881 H2 TIP3 4857 -9.421 -40.184 -24.372 1.00 0.00 WAT +ATOM 20882 OH2 TIP3 4858 -8.777 -38.271 -19.456 1.00 0.00 WAT +ATOM 20883 H1 TIP3 4858 -8.613 -39.241 -19.393 1.00 0.00 WAT +ATOM 20884 H2 TIP3 4858 -7.947 -37.984 -19.874 1.00 0.00 WAT +ATOM 20885 OH2 TIP3 4859 -8.516 -37.744 -14.063 1.00 0.00 WAT +ATOM 20886 H1 TIP3 4859 -7.539 -37.672 -14.066 1.00 0.00 WAT +ATOM 20887 H2 TIP3 4859 -8.673 -37.750 -13.103 1.00 0.00 WAT +ATOM 20888 OH2 TIP3 4860 -8.376 -37.064 -11.215 1.00 0.00 WAT +ATOM 20889 H1 TIP3 4860 -9.212 -36.640 -10.942 1.00 0.00 WAT +ATOM 20890 H2 TIP3 4860 -7.821 -36.288 -11.423 1.00 0.00 WAT +ATOM 20891 OH2 TIP3 4861 -23.922 -38.364 -7.427 1.00 0.00 WAT +ATOM 20892 H1 TIP3 4861 -22.992 -38.567 -7.601 1.00 0.00 WAT +ATOM 20893 H2 TIP3 4861 -24.332 -39.243 -7.444 1.00 0.00 WAT +ATOM 20894 OH2 TIP3 4862 -6.196 -42.772 -5.426 1.00 0.00 WAT +ATOM 20895 H1 TIP3 4862 -5.723 -43.571 -5.679 1.00 0.00 WAT +ATOM 20896 H2 TIP3 4862 -6.203 -42.185 -6.218 1.00 0.00 WAT +ATOM 20897 OH2 TIP3 4863 -8.475 -40.987 -19.372 1.00 0.00 WAT +ATOM 20898 H1 TIP3 4863 -8.255 -41.491 -18.576 1.00 0.00 WAT +ATOM 20899 H2 TIP3 4863 -9.100 -41.593 -19.813 1.00 0.00 WAT +ATOM 20900 OH2 TIP3 4864 -23.156 -39.903 -14.758 1.00 0.00 WAT +ATOM 20901 H1 TIP3 4864 -22.842 -40.826 -14.634 1.00 0.00 WAT +ATOM 20902 H2 TIP3 4864 -22.419 -39.394 -14.371 1.00 0.00 WAT +ATOM 20903 OH2 TIP3 4865 -24.541 -37.296 -13.723 1.00 0.00 WAT +ATOM 20904 H1 TIP3 4865 -23.941 -37.288 -14.486 1.00 0.00 WAT +ATOM 20905 H2 TIP3 4865 -24.205 -36.538 -13.225 1.00 0.00 WAT +ATOM 20906 OH2 TIP3 4866 -6.420 -41.130 -7.584 1.00 0.00 WAT +ATOM 20907 H1 TIP3 4866 -7.265 -40.646 -7.494 1.00 0.00 WAT +ATOM 20908 H2 TIP3 4866 -6.519 -41.454 -8.497 1.00 0.00 WAT +ATOM 20909 OH2 TIP3 4867 -6.341 -40.564 -22.769 1.00 0.00 WAT +ATOM 20910 H1 TIP3 4867 -6.175 -41.422 -23.216 1.00 0.00 WAT +ATOM 20911 H2 TIP3 4867 -5.466 -40.153 -22.758 1.00 0.00 WAT +ATOM 20912 OH2 TIP3 4868 -24.011 -41.064 -19.697 1.00 0.00 WAT +ATOM 20913 H1 TIP3 4868 -24.962 -40.917 -19.839 1.00 0.00 WAT +ATOM 20914 H2 TIP3 4868 -23.606 -40.346 -20.228 1.00 0.00 WAT +ATOM 20915 OH2 TIP3 4869 -9.066 -25.290 -17.778 1.00 0.00 WAT +ATOM 20916 H1 TIP3 4869 -8.702 -25.999 -18.340 1.00 0.00 WAT +ATOM 20917 H2 TIP3 4869 -8.679 -25.498 -16.906 1.00 0.00 WAT +ATOM 20918 OH2 TIP3 4870 -24.217 -41.283 -11.132 1.00 0.00 WAT +ATOM 20919 H1 TIP3 4870 -24.247 -42.225 -10.875 1.00 0.00 WAT +ATOM 20920 H2 TIP3 4870 -24.436 -41.333 -12.073 1.00 0.00 WAT +ATOM 20921 OH2 TIP3 4871 -22.009 -28.928 -6.789 1.00 0.00 WAT +ATOM 20922 H1 TIP3 4871 -22.698 -29.004 -7.465 1.00 0.00 WAT +ATOM 20923 H2 TIP3 4871 -22.500 -29.069 -5.970 1.00 0.00 WAT +ATOM 20924 OH2 TIP3 4872 -19.161 -27.973 -11.062 1.00 0.00 WAT +ATOM 20925 H1 TIP3 4872 -19.486 -27.126 -11.409 1.00 0.00 WAT +ATOM 20926 H2 TIP3 4872 -18.208 -27.877 -11.259 1.00 0.00 WAT +ATOM 20927 OH2 TIP3 4873 -12.572 -25.255 -8.683 1.00 0.00 WAT +ATOM 20928 H1 TIP3 4873 -11.913 -25.947 -8.788 1.00 0.00 WAT +ATOM 20929 H2 TIP3 4873 -12.396 -24.952 -7.780 1.00 0.00 WAT +ATOM 20930 OH2 TIP3 4874 -7.794 -42.781 -9.685 1.00 0.00 WAT +ATOM 20931 H1 TIP3 4874 -8.278 -42.129 -10.221 1.00 0.00 WAT +ATOM 20932 H2 TIP3 4874 -7.643 -43.462 -10.360 1.00 0.00 WAT +ATOM 20933 OH2 TIP3 4875 -21.711 -24.897 -10.685 1.00 0.00 WAT +ATOM 20934 H1 TIP3 4875 -22.314 -24.353 -11.219 1.00 0.00 WAT +ATOM 20935 H2 TIP3 4875 -22.264 -25.098 -9.925 1.00 0.00 WAT +ATOM 20936 OH2 TIP3 4876 -19.194 -25.226 -12.179 1.00 0.00 WAT +ATOM 20937 H1 TIP3 4876 -20.046 -25.060 -11.732 1.00 0.00 WAT +ATOM 20938 H2 TIP3 4876 -19.188 -24.539 -12.868 1.00 0.00 WAT +ATOM 20939 OH2 TIP3 4877 -14.549 -25.286 -12.678 1.00 0.00 WAT +ATOM 20940 H1 TIP3 4877 -14.953 -24.758 -13.386 1.00 0.00 WAT +ATOM 20941 H2 TIP3 4877 -14.452 -24.617 -11.966 1.00 0.00 WAT +ATOM 20942 OH2 TIP3 4878 -12.027 -26.371 -11.699 1.00 0.00 WAT +ATOM 20943 H1 TIP3 4878 -12.947 -26.191 -11.948 1.00 0.00 WAT +ATOM 20944 H2 TIP3 4878 -11.662 -25.482 -11.658 1.00 0.00 WAT +ATOM 20945 OH2 TIP3 4879 -9.398 -24.464 -11.488 1.00 0.00 WAT +ATOM 20946 H1 TIP3 4879 -9.844 -23.688 -11.832 1.00 0.00 WAT +ATOM 20947 H2 TIP3 4879 -9.364 -25.082 -12.227 1.00 0.00 WAT +ATOM 20948 OH2 TIP3 4880 -22.215 -26.206 -13.829 1.00 0.00 WAT +ATOM 20949 H1 TIP3 4880 -22.334 -26.761 -13.020 1.00 0.00 WAT +ATOM 20950 H2 TIP3 4880 -21.512 -26.715 -14.273 1.00 0.00 WAT +ATOM 20951 OH2 TIP3 4881 -20.189 -27.492 -15.479 1.00 0.00 WAT +ATOM 20952 H1 TIP3 4881 -20.412 -28.389 -15.135 1.00 0.00 WAT +ATOM 20953 H2 TIP3 4881 -19.312 -27.352 -15.079 1.00 0.00 WAT +ATOM 20954 OH2 TIP3 4882 -17.398 -27.000 -14.544 1.00 0.00 WAT +ATOM 20955 H1 TIP3 4882 -17.266 -27.947 -14.736 1.00 0.00 WAT +ATOM 20956 H2 TIP3 4882 -17.372 -27.017 -13.574 1.00 0.00 WAT +ATOM 20957 OH2 TIP3 4883 -14.140 -41.122 -15.246 1.00 0.00 WAT +ATOM 20958 H1 TIP3 4883 -14.767 -41.819 -14.965 1.00 0.00 WAT +ATOM 20959 H2 TIP3 4883 -13.548 -41.614 -15.834 1.00 0.00 WAT +ATOM 20960 OH2 TIP3 4884 -8.855 -43.314 -14.793 1.00 0.00 WAT +ATOM 20961 H1 TIP3 4884 -8.268 -42.889 -15.440 1.00 0.00 WAT +ATOM 20962 H2 TIP3 4884 -9.733 -43.060 -15.106 1.00 0.00 WAT +ATOM 20963 OH2 TIP3 4885 -6.898 -42.255 -16.974 1.00 0.00 WAT +ATOM 20964 H1 TIP3 4885 -6.349 -42.441 -17.741 1.00 0.00 WAT +ATOM 20965 H2 TIP3 4885 -6.736 -41.306 -16.826 1.00 0.00 WAT +ATOM 20966 OH2 TIP3 4886 -21.785 -42.838 -17.955 1.00 0.00 WAT +ATOM 20967 H1 TIP3 4886 -22.703 -43.074 -18.126 1.00 0.00 WAT +ATOM 20968 H2 TIP3 4886 -21.427 -43.642 -17.567 1.00 0.00 WAT +ATOM 20969 OH2 TIP3 4887 -23.220 -42.907 -21.697 1.00 0.00 WAT +ATOM 20970 H1 TIP3 4887 -22.736 -42.431 -22.398 1.00 0.00 WAT +ATOM 20971 H2 TIP3 4887 -23.552 -42.168 -21.155 1.00 0.00 WAT +ATOM 20972 OH2 TIP3 4888 -17.307 -42.277 -17.667 1.00 0.00 WAT +ATOM 20973 H1 TIP3 4888 -16.362 -42.343 -17.870 1.00 0.00 WAT +ATOM 20974 H2 TIP3 4888 -17.422 -42.926 -16.968 1.00 0.00 WAT +ATOM 20975 OH2 TIP3 4889 -11.720 -42.653 -16.296 1.00 0.00 WAT +ATOM 20976 H1 TIP3 4889 -11.415 -42.632 -17.211 1.00 0.00 WAT +ATOM 20977 H2 TIP3 4889 -11.878 -43.593 -16.134 1.00 0.00 WAT +ATOM 20978 OH2 TIP3 4890 -10.629 -42.723 -20.352 1.00 0.00 WAT +ATOM 20979 H1 TIP3 4890 -11.388 -42.132 -20.530 1.00 0.00 WAT +ATOM 20980 H2 TIP3 4890 -11.035 -43.599 -20.354 1.00 0.00 WAT +ATOM 20981 OH2 TIP3 4891 -22.729 -26.947 -20.677 1.00 0.00 WAT +ATOM 20982 H1 TIP3 4891 -23.412 -27.067 -21.352 1.00 0.00 WAT +ATOM 20983 H2 TIP3 4891 -22.789 -25.993 -20.530 1.00 0.00 WAT +ATOM 20984 OH2 TIP3 4892 -21.283 -41.253 -23.265 1.00 0.00 WAT +ATOM 20985 H1 TIP3 4892 -20.572 -41.617 -23.822 1.00 0.00 WAT +ATOM 20986 H2 TIP3 4892 -20.759 -40.738 -22.623 1.00 0.00 WAT +ATOM 20987 OH2 TIP3 4893 -16.049 -40.595 -20.970 1.00 0.00 WAT +ATOM 20988 H1 TIP3 4893 -15.975 -41.440 -20.481 1.00 0.00 WAT +ATOM 20989 H2 TIP3 4893 -15.871 -39.921 -20.287 1.00 0.00 WAT +ATOM 20990 OH2 TIP3 4894 -14.113 -25.116 -22.539 1.00 0.00 WAT +ATOM 20991 H1 TIP3 4894 -13.139 -25.088 -22.554 1.00 0.00 WAT +ATOM 20992 H2 TIP3 4894 -14.282 -25.804 -23.203 1.00 0.00 WAT +ATOM 20993 OH2 TIP3 4895 -7.409 -26.186 -19.882 1.00 0.00 WAT +ATOM 20994 H1 TIP3 4895 -7.658 -27.027 -20.316 1.00 0.00 WAT +ATOM 20995 H2 TIP3 4895 -7.542 -25.550 -20.602 1.00 0.00 WAT +ATOM 20996 OH2 TIP3 4896 -22.173 -41.792 -8.463 1.00 0.00 WAT +ATOM 20997 H1 TIP3 4896 -22.604 -42.595 -8.141 1.00 0.00 WAT +ATOM 20998 H2 TIP3 4896 -21.279 -42.142 -8.590 1.00 0.00 WAT +ATOM 20999 OH2 TIP3 4897 -19.236 -42.789 -5.821 1.00 0.00 WAT +ATOM 21000 H1 TIP3 4897 -18.362 -43.044 -6.192 1.00 0.00 WAT +ATOM 21001 H2 TIP3 4897 -19.466 -43.577 -5.317 1.00 0.00 WAT +ATOM 21002 OH2 TIP3 4898 -21.316 -25.993 -23.842 1.00 0.00 WAT +ATOM 21003 H1 TIP3 4898 -21.593 -25.753 -22.945 1.00 0.00 WAT +ATOM 21004 H2 TIP3 4898 -20.570 -26.591 -23.675 1.00 0.00 WAT +ATOM 21005 OH2 TIP3 4899 6.072 -33.462 -17.997 1.00 0.00 WAT +ATOM 21006 H1 TIP3 4899 6.017 -32.537 -17.708 1.00 0.00 WAT +ATOM 21007 H2 TIP3 4899 5.250 -33.584 -18.493 1.00 0.00 WAT +ATOM 21008 OH2 TIP3 4900 -2.530 -34.606 -12.698 1.00 0.00 WAT +ATOM 21009 H1 TIP3 4900 -2.595 -35.365 -12.086 1.00 0.00 WAT +ATOM 21010 H2 TIP3 4900 -1.859 -34.076 -12.243 1.00 0.00 WAT +ATOM 21011 OH2 TIP3 4901 8.653 -31.523 -16.031 1.00 0.00 WAT +ATOM 21012 H1 TIP3 4901 8.124 -32.236 -15.642 1.00 0.00 WAT +ATOM 21013 H2 TIP3 4901 8.854 -30.971 -15.262 1.00 0.00 WAT +ATOM 21014 OH2 TIP3 4902 -1.853 -29.999 -14.307 1.00 0.00 WAT +ATOM 21015 H1 TIP3 4902 -2.134 -30.932 -14.389 1.00 0.00 WAT +ATOM 21016 H2 TIP3 4902 -1.010 -30.108 -13.842 1.00 0.00 WAT +ATOM 21017 OH2 TIP3 4903 -4.915 -36.582 -18.809 1.00 0.00 WAT +ATOM 21018 H1 TIP3 4903 -5.353 -35.723 -18.707 1.00 0.00 WAT +ATOM 21019 H2 TIP3 4903 -5.635 -37.123 -19.157 1.00 0.00 WAT +ATOM 21020 OH2 TIP3 4904 -3.999 -34.105 -17.010 1.00 0.00 WAT +ATOM 21021 H1 TIP3 4904 -4.029 -34.893 -16.435 1.00 0.00 WAT +ATOM 21022 H2 TIP3 4904 -3.167 -34.266 -17.467 1.00 0.00 WAT +ATOM 21023 OH2 TIP3 4905 5.688 -26.144 -15.482 1.00 0.00 WAT +ATOM 21024 H1 TIP3 4905 6.294 -26.856 -15.761 1.00 0.00 WAT +ATOM 21025 H2 TIP3 4905 5.429 -26.438 -14.598 1.00 0.00 WAT +ATOM 21026 OH2 TIP3 4906 3.478 -31.853 -13.872 1.00 0.00 WAT +ATOM 21027 H1 TIP3 4906 3.894 -32.575 -14.381 1.00 0.00 WAT +ATOM 21028 H2 TIP3 4906 4.248 -31.639 -13.318 1.00 0.00 WAT +ATOM 21029 OH2 TIP3 4907 12.041 -40.223 -13.189 1.00 0.00 WAT +ATOM 21030 H1 TIP3 4907 12.321 -39.695 -12.423 1.00 0.00 WAT +ATOM 21031 H2 TIP3 4907 12.634 -39.862 -13.872 1.00 0.00 WAT +ATOM 21032 OH2 TIP3 4908 6.760 -37.573 -13.300 1.00 0.00 WAT +ATOM 21033 H1 TIP3 4908 6.912 -38.485 -13.591 1.00 0.00 WAT +ATOM 21034 H2 TIP3 4908 6.585 -37.081 -14.106 1.00 0.00 WAT +ATOM 21035 OH2 TIP3 4909 -0.314 -39.416 -16.169 1.00 0.00 WAT +ATOM 21036 H1 TIP3 4909 -0.131 -38.556 -16.592 1.00 0.00 WAT +ATOM 21037 H2 TIP3 4909 -0.649 -39.923 -16.933 1.00 0.00 WAT +ATOM 21038 OH2 TIP3 4910 7.505 -39.248 -17.868 1.00 0.00 WAT +ATOM 21039 H1 TIP3 4910 8.062 -39.481 -17.107 1.00 0.00 WAT +ATOM 21040 H2 TIP3 4910 7.984 -38.496 -18.235 1.00 0.00 WAT +ATOM 21041 OH2 TIP3 4911 -3.590 -36.604 -15.707 1.00 0.00 WAT +ATOM 21042 H1 TIP3 4911 -2.991 -37.070 -15.100 1.00 0.00 WAT +ATOM 21043 H2 TIP3 4911 -3.504 -37.141 -16.513 1.00 0.00 WAT +ATOM 21044 OH2 TIP3 4912 1.763 -35.183 -16.235 1.00 0.00 WAT +ATOM 21045 H1 TIP3 4912 2.577 -35.637 -15.937 1.00 0.00 WAT +ATOM 21046 H2 TIP3 4912 1.309 -35.916 -16.688 1.00 0.00 WAT +ATOM 21047 OH2 TIP3 4913 12.938 -38.496 -10.569 1.00 0.00 WAT +ATOM 21048 H1 TIP3 4913 12.197 -37.958 -10.898 1.00 0.00 WAT +ATOM 21049 H2 TIP3 4913 12.556 -38.878 -9.771 1.00 0.00 WAT +ATOM 21050 OH2 TIP3 4914 -1.509 -40.575 -12.026 1.00 0.00 WAT +ATOM 21051 H1 TIP3 4914 -1.827 -39.989 -12.732 1.00 0.00 WAT +ATOM 21052 H2 TIP3 4914 -2.165 -40.366 -11.328 1.00 0.00 WAT +ATOM 21053 OH2 TIP3 4915 6.060 -30.602 -18.708 1.00 0.00 WAT +ATOM 21054 H1 TIP3 4915 5.653 -30.932 -19.511 1.00 0.00 WAT +ATOM 21055 H2 TIP3 4915 5.543 -29.801 -18.505 1.00 0.00 WAT +ATOM 21056 OH2 TIP3 4916 1.399 -32.684 -11.901 1.00 0.00 WAT +ATOM 21057 H1 TIP3 4916 0.671 -32.073 -11.662 1.00 0.00 WAT +ATOM 21058 H2 TIP3 4916 2.057 -32.090 -12.298 1.00 0.00 WAT +ATOM 21059 OH2 TIP3 4917 9.530 -40.219 -15.776 1.00 0.00 WAT +ATOM 21060 H1 TIP3 4917 8.932 -40.546 -15.093 1.00 0.00 WAT +ATOM 21061 H2 TIP3 4917 9.970 -39.485 -15.311 1.00 0.00 WAT +ATOM 21062 OH2 TIP3 4918 -1.892 -38.548 -14.076 1.00 0.00 WAT +ATOM 21063 H1 TIP3 4918 -1.264 -37.954 -13.607 1.00 0.00 WAT +ATOM 21064 H2 TIP3 4918 -1.309 -38.889 -14.789 1.00 0.00 WAT +ATOM 21065 OH2 TIP3 4919 -0.680 -30.807 -11.246 1.00 0.00 WAT +ATOM 21066 H1 TIP3 4919 -0.642 -29.839 -11.390 1.00 0.00 WAT +ATOM 21067 H2 TIP3 4919 -1.463 -30.849 -10.663 1.00 0.00 WAT +ATOM 21068 OH2 TIP3 4920 -4.152 -31.089 -20.278 1.00 0.00 WAT +ATOM 21069 H1 TIP3 4920 -4.456 -30.696 -21.119 1.00 0.00 WAT +ATOM 21070 H2 TIP3 4920 -4.141 -30.312 -19.679 1.00 0.00 WAT +ATOM 21071 OH2 TIP3 4921 9.197 -29.691 -13.554 1.00 0.00 WAT +ATOM 21072 H1 TIP3 4921 8.231 -29.567 -13.482 1.00 0.00 WAT +ATOM 21073 H2 TIP3 4921 9.463 -28.819 -13.899 1.00 0.00 WAT +ATOM 21074 OH2 TIP3 4922 9.643 -41.141 -11.821 1.00 0.00 WAT +ATOM 21075 H1 TIP3 4922 8.837 -40.775 -12.222 1.00 0.00 WAT +ATOM 21076 H2 TIP3 4922 10.307 -40.937 -12.507 1.00 0.00 WAT +ATOM 21077 OH2 TIP3 4923 2.699 43.793 -14.845 1.00 0.00 WAT +ATOM 21078 H1 TIP3 4923 2.661 42.849 -14.658 1.00 0.00 WAT +ATOM 21079 H2 TIP3 4923 1.870 44.142 -14.460 1.00 0.00 WAT +ATOM 21080 OH2 TIP3 4924 7.493 -27.739 -16.998 1.00 0.00 WAT +ATOM 21081 H1 TIP3 4924 7.993 -28.539 -17.251 1.00 0.00 WAT +ATOM 21082 H2 TIP3 4924 8.182 -27.051 -17.068 1.00 0.00 WAT +ATOM 21083 OH2 TIP3 4925 9.017 -29.897 -18.344 1.00 0.00 WAT +ATOM 21084 H1 TIP3 4925 8.415 -30.317 -18.974 1.00 0.00 WAT +ATOM 21085 H2 TIP3 4925 8.955 -30.515 -17.588 1.00 0.00 WAT +ATOM 21086 OH2 TIP3 4926 10.551 -31.125 -9.949 1.00 0.00 WAT +ATOM 21087 H1 TIP3 4926 10.368 -31.732 -10.686 1.00 0.00 WAT +ATOM 21088 H2 TIP3 4926 10.621 -30.266 -10.409 1.00 0.00 WAT +ATOM 21089 OH2 TIP3 4927 4.601 -34.236 -20.269 1.00 0.00 WAT +ATOM 21090 H1 TIP3 4927 4.051 -33.569 -20.713 1.00 0.00 WAT +ATOM 21091 H2 TIP3 4927 5.396 -34.259 -20.827 1.00 0.00 WAT +ATOM 21092 OH2 TIP3 4928 5.032 -35.952 -23.176 1.00 0.00 WAT +ATOM 21093 H1 TIP3 4928 5.663 -35.680 -22.486 1.00 0.00 WAT +ATOM 21094 H2 TIP3 4928 5.602 -36.525 -23.713 1.00 0.00 WAT +ATOM 21095 OH2 TIP3 4929 12.223 -34.834 -11.916 1.00 0.00 WAT +ATOM 21096 H1 TIP3 4929 11.449 -34.241 -11.881 1.00 0.00 WAT +ATOM 21097 H2 TIP3 4929 12.693 -34.485 -12.700 1.00 0.00 WAT +ATOM 21098 OH2 TIP3 4930 8.402 -34.214 -19.142 1.00 0.00 WAT +ATOM 21099 H1 TIP3 4930 7.663 -33.940 -18.542 1.00 0.00 WAT +ATOM 21100 H2 TIP3 4930 8.938 -34.756 -18.538 1.00 0.00 WAT +ATOM 21101 OH2 TIP3 4931 8.246 -35.621 -10.196 1.00 0.00 WAT +ATOM 21102 H1 TIP3 4931 8.207 -34.762 -9.745 1.00 0.00 WAT +ATOM 21103 H2 TIP3 4931 7.444 -35.510 -10.756 1.00 0.00 WAT +ATOM 21104 OH2 TIP3 4932 -0.240 -33.263 -17.499 1.00 0.00 WAT +ATOM 21105 H1 TIP3 4932 -0.464 -33.925 -18.193 1.00 0.00 WAT +ATOM 21106 H2 TIP3 4932 0.387 -33.801 -16.971 1.00 0.00 WAT +ATOM 21107 OH2 TIP3 4933 1.326 -29.991 -14.608 1.00 0.00 WAT +ATOM 21108 H1 TIP3 4933 1.264 -30.541 -15.388 1.00 0.00 WAT +ATOM 21109 H2 TIP3 4933 2.077 -30.412 -14.149 1.00 0.00 WAT +ATOM 21110 OH2 TIP3 4934 0.413 -34.451 -13.882 1.00 0.00 WAT +ATOM 21111 H1 TIP3 4934 1.088 -34.552 -14.581 1.00 0.00 WAT +ATOM 21112 H2 TIP3 4934 0.868 -33.898 -13.217 1.00 0.00 WAT +ATOM 21113 OH2 TIP3 4935 6.388 -29.032 -13.235 1.00 0.00 WAT +ATOM 21114 H1 TIP3 4935 6.431 -28.373 -12.521 1.00 0.00 WAT +ATOM 21115 H2 TIP3 4935 6.207 -29.864 -12.756 1.00 0.00 WAT +ATOM 21116 OH2 TIP3 4936 1.324 -30.299 -8.990 1.00 0.00 WAT +ATOM 21117 H1 TIP3 4936 0.781 -29.662 -8.480 1.00 0.00 WAT +ATOM 21118 H2 TIP3 4936 0.679 -30.563 -9.666 1.00 0.00 WAT +ATOM 21119 OH2 TIP3 4937 7.205 -34.689 -21.603 1.00 0.00 WAT +ATOM 21120 H1 TIP3 4937 7.701 -34.446 -20.790 1.00 0.00 WAT +ATOM 21121 H2 TIP3 4937 7.712 -34.177 -22.279 1.00 0.00 WAT +ATOM 21122 OH2 TIP3 4938 -1.781 -33.848 -9.862 1.00 0.00 WAT +ATOM 21123 H1 TIP3 4938 -1.713 -33.258 -9.088 1.00 0.00 WAT +ATOM 21124 H2 TIP3 4938 -2.746 -33.967 -9.922 1.00 0.00 WAT +ATOM 21125 OH2 TIP3 4939 4.607 -28.079 -18.037 1.00 0.00 WAT +ATOM 21126 H1 TIP3 4939 5.143 -27.810 -17.278 1.00 0.00 WAT +ATOM 21127 H2 TIP3 4939 4.181 -27.248 -18.300 1.00 0.00 WAT +ATOM 21128 OH2 TIP3 4940 -0.720 -28.424 -8.186 1.00 0.00 WAT +ATOM 21129 H1 TIP3 4940 -0.798 -28.121 -9.103 1.00 0.00 WAT +ATOM 21130 H2 TIP3 4940 -1.544 -28.062 -7.802 1.00 0.00 WAT +ATOM 21131 OH2 TIP3 4941 10.443 -43.272 -22.349 1.00 0.00 WAT +ATOM 21132 H1 TIP3 4941 9.974 -43.201 -21.503 1.00 0.00 WAT +ATOM 21133 H2 TIP3 4941 11.177 -42.660 -22.190 1.00 0.00 WAT +ATOM 21134 OH2 TIP3 4942 -1.326 -34.565 -19.716 1.00 0.00 WAT +ATOM 21135 H1 TIP3 4942 -1.420 -33.939 -20.459 1.00 0.00 WAT +ATOM 21136 H2 TIP3 4942 -1.844 -35.323 -20.024 1.00 0.00 WAT +ATOM 21137 OH2 TIP3 4943 12.046 -28.814 -23.598 1.00 0.00 WAT +ATOM 21138 H1 TIP3 4943 12.211 -27.879 -23.367 1.00 0.00 WAT +ATOM 21139 H2 TIP3 4943 12.908 -29.223 -23.387 1.00 0.00 WAT +ATOM 21140 OH2 TIP3 4944 -5.047 -31.930 -11.098 1.00 0.00 WAT +ATOM 21141 H1 TIP3 4944 -5.591 -31.985 -11.905 1.00 0.00 WAT +ATOM 21142 H2 TIP3 4944 -4.989 -32.862 -10.820 1.00 0.00 WAT +ATOM 21143 OH2 TIP3 4945 -5.081 -29.003 -14.178 1.00 0.00 WAT +ATOM 21144 H1 TIP3 4945 -4.171 -29.275 -13.993 1.00 0.00 WAT +ATOM 21145 H2 TIP3 4945 -5.251 -28.423 -13.419 1.00 0.00 WAT +ATOM 21146 OH2 TIP3 4946 13.285 -28.412 -8.310 1.00 0.00 WAT +ATOM 21147 H1 TIP3 4946 13.170 -29.355 -8.523 1.00 0.00 WAT +ATOM 21148 H2 TIP3 4946 12.371 -28.171 -8.045 1.00 0.00 WAT +ATOM 21149 OH2 TIP3 4947 3.937 -29.196 -9.549 1.00 0.00 WAT +ATOM 21150 H1 TIP3 4947 4.020 -28.368 -9.031 1.00 0.00 WAT +ATOM 21151 H2 TIP3 4947 3.037 -29.491 -9.308 1.00 0.00 WAT +ATOM 21152 OH2 TIP3 4948 4.216 -25.389 -19.589 1.00 0.00 WAT +ATOM 21153 H1 TIP3 4948 4.255 -25.245 -20.551 1.00 0.00 WAT +ATOM 21154 H2 TIP3 4948 4.242 -24.485 -19.235 1.00 0.00 WAT +ATOM 21155 OH2 TIP3 4949 -1.992 -26.325 -17.973 1.00 0.00 WAT +ATOM 21156 H1 TIP3 4949 -1.777 -26.666 -17.078 1.00 0.00 WAT +ATOM 21157 H2 TIP3 4949 -2.890 -26.659 -18.090 1.00 0.00 WAT +ATOM 21158 OH2 TIP3 4950 7.509 -25.970 -22.395 1.00 0.00 WAT +ATOM 21159 H1 TIP3 4950 8.102 -26.615 -22.828 1.00 0.00 WAT +ATOM 21160 H2 TIP3 4950 7.468 -26.330 -21.485 1.00 0.00 WAT +ATOM 21161 OH2 TIP3 4951 6.905 -26.550 -19.605 1.00 0.00 WAT +ATOM 21162 H1 TIP3 4951 5.964 -26.393 -19.414 1.00 0.00 WAT +ATOM 21163 H2 TIP3 4951 7.104 -27.234 -18.940 1.00 0.00 WAT +ATOM 21164 OH2 TIP3 4952 10.091 -37.073 -7.949 1.00 0.00 WAT +ATOM 21165 H1 TIP3 4952 9.547 -36.658 -8.637 1.00 0.00 WAT +ATOM 21166 H2 TIP3 4952 10.133 -37.995 -8.257 1.00 0.00 WAT +ATOM 21167 OH2 TIP3 4953 -2.986 -30.298 -9.690 1.00 0.00 WAT +ATOM 21168 H1 TIP3 4953 -2.699 -30.753 -8.873 1.00 0.00 WAT +ATOM 21169 H2 TIP3 4953 -3.709 -30.854 -10.021 1.00 0.00 WAT +ATOM 21170 OH2 TIP3 4954 0.263 -42.190 -13.902 1.00 0.00 WAT +ATOM 21171 H1 TIP3 4954 -0.584 -42.427 -14.304 1.00 0.00 WAT +ATOM 21172 H2 TIP3 4954 0.034 -41.358 -13.460 1.00 0.00 WAT +ATOM 21173 OH2 TIP3 4955 4.820 -42.674 -10.327 1.00 0.00 WAT +ATOM 21174 H1 TIP3 4955 4.989 -43.062 -9.463 1.00 0.00 WAT +ATOM 21175 H2 TIP3 4955 3.860 -42.751 -10.395 1.00 0.00 WAT +ATOM 21176 OH2 TIP3 4956 7.808 -38.642 -9.862 1.00 0.00 WAT +ATOM 21177 H1 TIP3 4956 7.187 -38.727 -9.117 1.00 0.00 WAT +ATOM 21178 H2 TIP3 4956 7.718 -37.706 -10.116 1.00 0.00 WAT +ATOM 21179 OH2 TIP3 4957 8.771 -33.618 -23.620 1.00 0.00 WAT +ATOM 21180 H1 TIP3 4957 8.583 -33.802 -24.560 1.00 0.00 WAT +ATOM 21181 H2 TIP3 4957 9.712 -33.372 -23.662 1.00 0.00 WAT +ATOM 21182 OH2 TIP3 4958 4.411 -39.940 -23.154 1.00 0.00 WAT +ATOM 21183 H1 TIP3 4958 3.861 -40.021 -22.355 1.00 0.00 WAT +ATOM 21184 H2 TIP3 4958 3.925 -40.556 -23.747 1.00 0.00 WAT +ATOM 21185 OH2 TIP3 4959 0.042 -37.152 -12.640 1.00 0.00 WAT +ATOM 21186 H1 TIP3 4959 -0.474 -37.026 -11.825 1.00 0.00 WAT +ATOM 21187 H2 TIP3 4959 0.156 -36.235 -12.955 1.00 0.00 WAT +ATOM 21188 OH2 TIP3 4960 0.010 -37.053 -17.743 1.00 0.00 WAT +ATOM 21189 H1 TIP3 4960 -0.933 -37.230 -17.916 1.00 0.00 WAT +ATOM 21190 H2 TIP3 4960 0.404 -37.279 -18.610 1.00 0.00 WAT +ATOM 21191 OH2 TIP3 4961 5.686 -36.661 -18.755 1.00 0.00 WAT +ATOM 21192 H1 TIP3 4961 5.347 -35.759 -18.862 1.00 0.00 WAT +ATOM 21193 H2 TIP3 4961 6.395 -36.694 -19.409 1.00 0.00 WAT +ATOM 21194 OH2 TIP3 4962 4.818 -36.318 -7.595 1.00 0.00 WAT +ATOM 21195 H1 TIP3 4962 4.330 -37.077 -7.223 1.00 0.00 WAT +ATOM 21196 H2 TIP3 4962 5.705 -36.428 -7.201 1.00 0.00 WAT +ATOM 21197 OH2 TIP3 4963 -2.548 -36.978 -10.819 1.00 0.00 WAT +ATOM 21198 H1 TIP3 4963 -2.273 -36.656 -9.952 1.00 0.00 WAT +ATOM 21199 H2 TIP3 4963 -2.933 -37.846 -10.590 1.00 0.00 WAT +ATOM 21200 OH2 TIP3 4964 0.802 -39.368 -24.195 1.00 0.00 WAT +ATOM 21201 H1 TIP3 4964 0.471 -39.788 -23.381 1.00 0.00 WAT +ATOM 21202 H2 TIP3 4964 0.015 -39.310 -24.750 1.00 0.00 WAT +ATOM 21203 OH2 TIP3 4965 -5.714 -39.505 -17.181 1.00 0.00 WAT +ATOM 21204 H1 TIP3 4965 -5.174 -39.544 -16.365 1.00 0.00 WAT +ATOM 21205 H2 TIP3 4965 -5.176 -39.965 -17.835 1.00 0.00 WAT +ATOM 21206 OH2 TIP3 4966 -4.139 -39.110 -21.429 1.00 0.00 WAT +ATOM 21207 H1 TIP3 4966 -3.603 -38.607 -22.073 1.00 0.00 WAT +ATOM 21208 H2 TIP3 4966 -4.856 -38.471 -21.252 1.00 0.00 WAT +ATOM 21209 OH2 TIP3 4967 5.695 -35.566 -11.212 1.00 0.00 WAT +ATOM 21210 H1 TIP3 4967 5.823 -35.608 -12.182 1.00 0.00 WAT +ATOM 21211 H2 TIP3 4967 5.147 -36.341 -11.024 1.00 0.00 WAT +ATOM 21212 OH2 TIP3 4968 2.741 -39.650 -16.845 1.00 0.00 WAT +ATOM 21213 H1 TIP3 4968 1.833 -39.582 -16.512 1.00 0.00 WAT +ATOM 21214 H2 TIP3 4968 3.248 -39.528 -16.023 1.00 0.00 WAT +ATOM 21215 OH2 TIP3 4969 -2.598 -38.247 -18.073 1.00 0.00 WAT +ATOM 21216 H1 TIP3 4969 -3.441 -38.008 -18.496 1.00 0.00 WAT +ATOM 21217 H2 TIP3 4969 -2.353 -39.088 -18.505 1.00 0.00 WAT +ATOM 21218 OH2 TIP3 4970 1.011 -37.869 -20.317 1.00 0.00 WAT +ATOM 21219 H1 TIP3 4970 1.986 -37.862 -20.268 1.00 0.00 WAT +ATOM 21220 H2 TIP3 4970 0.819 -37.322 -21.094 1.00 0.00 WAT +ATOM 21221 OH2 TIP3 4971 7.163 -40.429 -13.736 1.00 0.00 WAT +ATOM 21222 H1 TIP3 4971 6.565 -40.364 -12.962 1.00 0.00 WAT +ATOM 21223 H2 TIP3 4971 6.516 -40.702 -14.413 1.00 0.00 WAT +ATOM 21224 OH2 TIP3 4972 -0.550 -36.655 -22.579 1.00 0.00 WAT +ATOM 21225 H1 TIP3 4972 -1.113 -36.973 -23.301 1.00 0.00 WAT +ATOM 21226 H2 TIP3 4972 0.276 -36.470 -23.062 1.00 0.00 WAT +ATOM 21227 OH2 TIP3 4973 10.123 -24.576 -7.055 1.00 0.00 WAT +ATOM 21228 H1 TIP3 4973 10.365 -24.126 -7.888 1.00 0.00 WAT +ATOM 21229 H2 TIP3 4973 10.807 -24.209 -6.468 1.00 0.00 WAT +ATOM 21230 OH2 TIP3 4974 -1.881 -31.960 -7.595 1.00 0.00 WAT +ATOM 21231 H1 TIP3 4974 -1.209 -31.862 -6.886 1.00 0.00 WAT +ATOM 21232 H2 TIP3 4974 -2.689 -32.010 -7.046 1.00 0.00 WAT +ATOM 21233 OH2 TIP3 4975 3.766 -37.304 -15.177 1.00 0.00 WAT +ATOM 21234 H1 TIP3 4975 4.685 -37.307 -15.464 1.00 0.00 WAT +ATOM 21235 H2 TIP3 4975 3.829 -37.567 -14.246 1.00 0.00 WAT +ATOM 21236 OH2 TIP3 4976 -1.045 -40.660 -18.654 1.00 0.00 WAT +ATOM 21237 H1 TIP3 4976 -1.493 -41.519 -18.547 1.00 0.00 WAT +ATOM 21238 H2 TIP3 4976 -0.198 -40.918 -19.046 1.00 0.00 WAT +ATOM 21239 OH2 TIP3 4977 2.752 -38.533 -12.577 1.00 0.00 WAT +ATOM 21240 H1 TIP3 4977 2.065 -37.855 -12.659 1.00 0.00 WAT +ATOM 21241 H2 TIP3 4977 3.291 -38.211 -11.828 1.00 0.00 WAT +ATOM 21242 OH2 TIP3 4978 2.927 -32.054 -20.791 1.00 0.00 WAT +ATOM 21243 H1 TIP3 4978 2.188 -32.612 -21.110 1.00 0.00 WAT +ATOM 21244 H2 TIP3 4978 2.777 -32.050 -19.815 1.00 0.00 WAT +ATOM 21245 OH2 TIP3 4979 9.921 -33.007 -12.213 1.00 0.00 WAT +ATOM 21246 H1 TIP3 4979 10.459 -32.459 -12.817 1.00 0.00 WAT +ATOM 21247 H2 TIP3 4979 9.066 -33.034 -12.670 1.00 0.00 WAT +ATOM 21248 OH2 TIP3 4980 7.101 -39.303 -23.122 1.00 0.00 WAT +ATOM 21249 H1 TIP3 4980 6.122 -39.390 -23.069 1.00 0.00 WAT +ATOM 21250 H2 TIP3 4980 7.295 -38.640 -22.427 1.00 0.00 WAT +ATOM 21251 OH2 TIP3 4981 4.516 -32.085 -9.459 1.00 0.00 WAT +ATOM 21252 H1 TIP3 4981 4.290 -32.398 -8.572 1.00 0.00 WAT +ATOM 21253 H2 TIP3 4981 4.272 -31.147 -9.424 1.00 0.00 WAT +ATOM 21254 OH2 TIP3 4982 7.722 -37.502 -20.987 1.00 0.00 WAT +ATOM 21255 H1 TIP3 4982 8.570 -37.632 -20.514 1.00 0.00 WAT +ATOM 21256 H2 TIP3 4982 7.801 -36.585 -21.305 1.00 0.00 WAT +ATOM 21257 OH2 TIP3 4983 -1.960 -32.746 -14.984 1.00 0.00 WAT +ATOM 21258 H1 TIP3 4983 -1.213 -32.930 -15.563 1.00 0.00 WAT +ATOM 21259 H2 TIP3 4983 -1.929 -33.520 -14.391 1.00 0.00 WAT +ATOM 21260 OH2 TIP3 4984 5.322 -30.730 -21.886 1.00 0.00 WAT +ATOM 21261 H1 TIP3 4984 5.096 -29.879 -21.461 1.00 0.00 WAT +ATOM 21262 H2 TIP3 4984 4.590 -31.291 -21.574 1.00 0.00 WAT +ATOM 21263 OH2 TIP3 4985 -4.645 -34.449 -9.684 1.00 0.00 WAT +ATOM 21264 H1 TIP3 4985 -4.502 -34.862 -8.809 1.00 0.00 WAT +ATOM 21265 H2 TIP3 4985 -5.285 -35.049 -10.099 1.00 0.00 WAT +ATOM 21266 OH2 TIP3 4986 2.306 -34.939 -7.688 1.00 0.00 WAT +ATOM 21267 H1 TIP3 4986 1.991 -35.164 -8.579 1.00 0.00 WAT +ATOM 21268 H2 TIP3 4986 3.245 -35.195 -7.761 1.00 0.00 WAT +ATOM 21269 OH2 TIP3 4987 6.890 -29.362 -9.944 1.00 0.00 WAT +ATOM 21270 H1 TIP3 4987 5.925 -29.407 -10.044 1.00 0.00 WAT +ATOM 21271 H2 TIP3 4987 6.987 -29.211 -8.990 1.00 0.00 WAT +ATOM 21272 OH2 TIP3 4988 12.387 -37.473 -21.196 1.00 0.00 WAT +ATOM 21273 H1 TIP3 4988 11.789 -37.642 -21.950 1.00 0.00 WAT +ATOM 21274 H2 TIP3 4988 12.492 -36.507 -21.301 1.00 0.00 WAT +ATOM 21275 OH2 TIP3 4989 12.817 -31.407 -8.386 1.00 0.00 WAT +ATOM 21276 H1 TIP3 4989 11.881 -31.201 -8.590 1.00 0.00 WAT +ATOM 21277 H2 TIP3 4989 13.158 -31.576 -9.286 1.00 0.00 WAT +ATOM 21278 OH2 TIP3 4990 10.525 -28.836 -21.120 1.00 0.00 WAT +ATOM 21279 H1 TIP3 4990 10.332 -29.583 -20.532 1.00 0.00 WAT +ATOM 21280 H2 TIP3 4990 11.123 -29.222 -21.774 1.00 0.00 WAT +ATOM 21281 OH2 TIP3 4991 0.028 -29.494 -17.892 1.00 0.00 WAT +ATOM 21282 H1 TIP3 4991 0.837 -28.958 -17.806 1.00 0.00 WAT +ATOM 21283 H2 TIP3 4991 -0.610 -28.774 -17.778 1.00 0.00 WAT +ATOM 21284 OH2 TIP3 4992 -3.585 -34.653 -23.071 1.00 0.00 WAT +ATOM 21285 H1 TIP3 4992 -3.004 -33.970 -22.706 1.00 0.00 WAT +ATOM 21286 H2 TIP3 4992 -4.459 -34.386 -22.722 1.00 0.00 WAT +ATOM 21287 OH2 TIP3 4993 2.271 -31.728 -18.169 1.00 0.00 WAT +ATOM 21288 H1 TIP3 4993 2.110 -30.827 -17.870 1.00 0.00 WAT +ATOM 21289 H2 TIP3 4993 1.776 -32.268 -17.542 1.00 0.00 WAT +ATOM 21290 OH2 TIP3 4994 2.457 -27.479 -11.721 1.00 0.00 WAT +ATOM 21291 H1 TIP3 4994 3.007 -26.711 -11.955 1.00 0.00 WAT +ATOM 21292 H2 TIP3 4994 3.055 -27.963 -11.128 1.00 0.00 WAT +ATOM 21293 OH2 TIP3 4995 0.887 -26.517 -18.476 1.00 0.00 WAT +ATOM 21294 H1 TIP3 4995 -0.058 -26.326 -18.375 1.00 0.00 WAT +ATOM 21295 H2 TIP3 4995 1.280 -25.663 -18.205 1.00 0.00 WAT +ATOM 21296 OH2 TIP3 4996 6.036 -31.609 -11.988 1.00 0.00 WAT +ATOM 21297 H1 TIP3 4996 5.595 -31.987 -11.207 1.00 0.00 WAT +ATOM 21298 H2 TIP3 4996 6.324 -32.416 -12.459 1.00 0.00 WAT +ATOM 21299 OH2 TIP3 4997 8.004 -30.418 -23.214 1.00 0.00 WAT +ATOM 21300 H1 TIP3 4997 8.452 -30.858 -22.467 1.00 0.00 WAT +ATOM 21301 H2 TIP3 4997 7.084 -30.565 -22.936 1.00 0.00 WAT +ATOM 21302 OH2 TIP3 4998 8.828 -27.146 -9.715 1.00 0.00 WAT +ATOM 21303 H1 TIP3 4998 8.059 -27.615 -10.100 1.00 0.00 WAT +ATOM 21304 H2 TIP3 4998 8.896 -26.353 -10.280 1.00 0.00 WAT +ATOM 21305 OH2 TIP3 4999 12.796 -26.126 -22.719 1.00 0.00 WAT +ATOM 21306 H1 TIP3 4999 13.501 -25.472 -22.870 1.00 0.00 WAT +ATOM 21307 H2 TIP3 4999 12.028 -25.527 -22.702 1.00 0.00 WAT +ATOM 21308 OH2 TIP3 5000 -3.340 -39.623 -10.083 1.00 0.00 WAT +ATOM 21309 H1 TIP3 5000 -4.254 -39.427 -10.384 1.00 0.00 WAT +ATOM 21310 H2 TIP3 5000 -3.502 -40.478 -9.630 1.00 0.00 WAT +ATOM 21311 OH2 TIP3 5001 8.994 -31.799 -20.848 1.00 0.00 WAT +ATOM 21312 H1 TIP3 5001 8.733 -32.525 -20.254 1.00 0.00 WAT +ATOM 21313 H2 TIP3 5001 9.960 -31.800 -20.735 1.00 0.00 WAT +ATOM 21314 OH2 TIP3 5002 -3.512 -28.044 -11.650 1.00 0.00 WAT +ATOM 21315 H1 TIP3 5002 -3.255 -28.936 -11.378 1.00 0.00 WAT +ATOM 21316 H2 TIP3 5002 -3.551 -27.617 -10.781 1.00 0.00 WAT +ATOM 21317 OH2 TIP3 5003 2.240 -29.367 -24.645 1.00 0.00 WAT +ATOM 21318 H1 TIP3 5003 2.572 -30.143 -25.131 1.00 0.00 WAT +ATOM 21319 H2 TIP3 5003 1.869 -29.783 -23.853 1.00 0.00 WAT +ATOM 21320 OH2 TIP3 5004 1.065 -29.891 -21.801 1.00 0.00 WAT +ATOM 21321 H1 TIP3 5004 1.726 -30.387 -21.294 1.00 0.00 WAT +ATOM 21322 H2 TIP3 5004 1.269 -28.962 -21.562 1.00 0.00 WAT +ATOM 21323 OH2 TIP3 5005 -1.901 -32.294 -21.292 1.00 0.00 WAT +ATOM 21324 H1 TIP3 5005 -2.805 -31.967 -21.113 1.00 0.00 WAT +ATOM 21325 H2 TIP3 5005 -1.549 -31.590 -21.867 1.00 0.00 WAT +ATOM 21326 OH2 TIP3 5006 5.551 -40.083 -11.412 1.00 0.00 WAT +ATOM 21327 H1 TIP3 5006 6.188 -39.781 -10.749 1.00 0.00 WAT +ATOM 21328 H2 TIP3 5006 5.226 -40.926 -11.052 1.00 0.00 WAT +ATOM 21329 OH2 TIP3 5007 6.440 -40.505 -20.145 1.00 0.00 WAT +ATOM 21330 H1 TIP3 5007 6.490 -39.876 -20.877 1.00 0.00 WAT +ATOM 21331 H2 TIP3 5007 6.765 -39.953 -19.400 1.00 0.00 WAT +ATOM 21332 OH2 TIP3 5008 4.006 -28.262 -21.303 1.00 0.00 WAT +ATOM 21333 H1 TIP3 5008 3.251 -27.694 -21.084 1.00 0.00 WAT +ATOM 21334 H2 TIP3 5008 4.445 -27.745 -21.991 1.00 0.00 WAT +ATOM 21335 OH2 TIP3 5009 3.704 -38.480 -19.263 1.00 0.00 WAT +ATOM 21336 H1 TIP3 5009 4.474 -37.892 -19.076 1.00 0.00 WAT +ATOM 21337 H2 TIP3 5009 3.411 -38.680 -18.354 1.00 0.00 WAT +ATOM 21338 OH2 TIP3 5010 3.991 -37.621 -10.117 1.00 0.00 WAT +ATOM 21339 H1 TIP3 5010 4.114 -37.069 -9.323 1.00 0.00 WAT +ATOM 21340 H2 TIP3 5010 4.591 -38.357 -9.945 1.00 0.00 WAT +ATOM 21341 OH2 TIP3 5011 4.368 -41.702 -18.252 1.00 0.00 WAT +ATOM 21342 H1 TIP3 5011 4.073 -40.939 -17.722 1.00 0.00 WAT +ATOM 21343 H2 TIP3 5011 4.993 -41.283 -18.871 1.00 0.00 WAT +ATOM 21344 OH2 TIP3 5012 1.226 -27.151 -21.292 1.00 0.00 WAT +ATOM 21345 H1 TIP3 5012 1.195 -26.329 -21.827 1.00 0.00 WAT +ATOM 21346 H2 TIP3 5012 1.122 -26.803 -20.385 1.00 0.00 WAT +ATOM 21347 OH2 TIP3 5013 -0.041 -40.516 -21.758 1.00 0.00 WAT +ATOM 21348 H1 TIP3 5013 -0.035 -39.695 -21.237 1.00 0.00 WAT +ATOM 21349 H2 TIP3 5013 0.858 -40.845 -21.546 1.00 0.00 WAT +ATOM 21350 OH2 TIP3 5014 10.400 -39.647 -9.322 1.00 0.00 WAT +ATOM 21351 H1 TIP3 5014 9.436 -39.507 -9.408 1.00 0.00 WAT +ATOM 21352 H2 TIP3 5014 10.597 -39.851 -10.247 1.00 0.00 WAT +ATOM 21353 OH2 TIP3 5015 8.852 -35.873 -15.472 1.00 0.00 WAT +ATOM 21354 H1 TIP3 5015 7.940 -35.663 -15.221 1.00 0.00 WAT +ATOM 21355 H2 TIP3 5015 9.169 -36.452 -14.753 1.00 0.00 WAT +ATOM 21356 OH2 TIP3 5016 -1.632 -29.657 -22.740 1.00 0.00 WAT +ATOM 21357 H1 TIP3 5016 -0.928 -29.110 -22.346 1.00 0.00 WAT +ATOM 21358 H2 TIP3 5016 -1.115 -30.081 -23.444 1.00 0.00 WAT +ATOM 21359 OH2 TIP3 5017 -3.472 -37.449 -23.643 1.00 0.00 WAT +ATOM 21360 H1 TIP3 5017 -3.362 -36.506 -23.413 1.00 0.00 WAT +ATOM 21361 H2 TIP3 5017 -4.342 -37.451 -24.064 1.00 0.00 WAT +ATOM 21362 OH2 TIP3 5018 9.842 -26.902 -13.861 1.00 0.00 WAT +ATOM 21363 H1 TIP3 5018 9.668 -26.063 -14.330 1.00 0.00 WAT +ATOM 21364 H2 TIP3 5018 10.760 -26.755 -13.584 1.00 0.00 WAT +ATOM 21365 OH2 TIP3 5019 -3.377 -42.433 -14.690 1.00 0.00 WAT +ATOM 21366 H1 TIP3 5019 -2.934 -42.427 -15.547 1.00 0.00 WAT +ATOM 21367 H2 TIP3 5019 -3.134 -43.324 -14.394 1.00 0.00 WAT +ATOM 21368 OH2 TIP3 5020 -3.550 -28.969 -18.629 1.00 0.00 WAT +ATOM 21369 H1 TIP3 5020 -4.283 -28.518 -18.174 1.00 0.00 WAT +ATOM 21370 H2 TIP3 5020 -3.301 -28.289 -19.284 1.00 0.00 WAT +ATOM 21371 OH2 TIP3 5021 0.677 -26.831 -5.628 1.00 0.00 WAT +ATOM 21372 H1 TIP3 5021 1.113 -27.681 -5.495 1.00 0.00 WAT +ATOM 21373 H2 TIP3 5021 0.021 -27.042 -6.307 1.00 0.00 WAT +ATOM 21374 OH2 TIP3 5022 4.489 -27.650 -24.156 1.00 0.00 WAT +ATOM 21375 H1 TIP3 5022 3.748 -28.287 -24.228 1.00 0.00 WAT +ATOM 21376 H2 TIP3 5022 5.216 -28.192 -24.504 1.00 0.00 WAT +ATOM 21377 OH2 TIP3 5023 6.896 -28.628 -7.037 1.00 0.00 WAT +ATOM 21378 H1 TIP3 5023 6.502 -29.450 -6.691 1.00 0.00 WAT +ATOM 21379 H2 TIP3 5023 7.593 -28.437 -6.388 1.00 0.00 WAT +ATOM 21380 OH2 TIP3 5024 9.106 -27.759 -24.037 1.00 0.00 WAT +ATOM 21381 H1 TIP3 5024 9.275 -28.547 -23.494 1.00 0.00 WAT +ATOM 21382 H2 TIP3 5024 9.914 -27.711 -24.577 1.00 0.00 WAT +ATOM 21383 OH2 TIP3 5025 -4.291 -32.385 -6.352 1.00 0.00 WAT +ATOM 21384 H1 TIP3 5025 -4.249 -33.277 -6.728 1.00 0.00 WAT +ATOM 21385 H2 TIP3 5025 -5.085 -32.041 -6.806 1.00 0.00 WAT +ATOM 21386 OH2 TIP3 5026 -0.104 -31.953 -24.262 1.00 0.00 WAT +ATOM 21387 H1 TIP3 5026 0.122 -32.554 -23.532 1.00 0.00 WAT +ATOM 21388 H2 TIP3 5026 0.743 -31.945 -24.750 1.00 0.00 WAT +ATOM 21389 OH2 TIP3 5027 2.338 -32.159 -6.956 1.00 0.00 WAT +ATOM 21390 H1 TIP3 5027 2.047 -31.820 -7.819 1.00 0.00 WAT +ATOM 21391 H2 TIP3 5027 2.408 -33.122 -7.114 1.00 0.00 WAT +ATOM 21392 OH2 TIP3 5028 5.100 -30.612 -24.686 1.00 0.00 WAT +ATOM 21393 H1 TIP3 5028 5.124 -30.646 -23.711 1.00 0.00 WAT +ATOM 21394 H2 TIP3 5028 5.095 -31.572 -24.887 1.00 0.00 WAT +ATOM 21395 OH2 TIP3 5029 7.709 -32.515 -9.456 1.00 0.00 WAT +ATOM 21396 H1 TIP3 5029 8.469 -32.023 -9.795 1.00 0.00 WAT +ATOM 21397 H2 TIP3 5029 6.985 -31.902 -9.655 1.00 0.00 WAT +ATOM 21398 OH2 TIP3 5030 -3.448 -35.255 -7.151 1.00 0.00 WAT +ATOM 21399 H1 TIP3 5030 -2.689 -35.861 -7.110 1.00 0.00 WAT +ATOM 21400 H2 TIP3 5030 -3.489 -34.961 -6.227 1.00 0.00 WAT +ATOM 21401 OH2 TIP3 5031 0.969 -33.842 -21.972 1.00 0.00 WAT +ATOM 21402 H1 TIP3 5031 0.476 -34.426 -21.383 1.00 0.00 WAT +ATOM 21403 H2 TIP3 5031 1.327 -34.492 -22.615 1.00 0.00 WAT +ATOM 21404 OH2 TIP3 5032 0.197 -36.103 -9.746 1.00 0.00 WAT +ATOM 21405 H1 TIP3 5032 -0.316 -35.309 -9.506 1.00 0.00 WAT +ATOM 21406 H2 TIP3 5032 0.897 -35.720 -10.308 1.00 0.00 WAT +ATOM 21407 OH2 TIP3 5033 1.959 -35.807 -23.681 1.00 0.00 WAT +ATOM 21408 H1 TIP3 5033 1.921 -35.769 -24.654 1.00 0.00 WAT +ATOM 21409 H2 TIP3 5033 2.921 -35.893 -23.532 1.00 0.00 WAT +ATOM 21410 OH2 TIP3 5034 5.521 -33.376 -6.135 1.00 0.00 WAT +ATOM 21411 H1 TIP3 5034 6.408 -33.571 -6.471 1.00 0.00 WAT +ATOM 21412 H2 TIP3 5034 5.271 -34.223 -5.741 1.00 0.00 WAT +ATOM 21413 OH2 TIP3 5035 11.468 -33.316 -24.381 1.00 0.00 WAT +ATOM 21414 H1 TIP3 5035 11.351 -33.728 -25.249 1.00 0.00 WAT +ATOM 21415 H2 TIP3 5035 11.359 -32.367 -24.610 1.00 0.00 WAT +ATOM 21416 OH2 TIP3 5036 0.799 -38.792 -8.594 1.00 0.00 WAT +ATOM 21417 H1 TIP3 5036 0.908 -39.425 -9.321 1.00 0.00 WAT +ATOM 21418 H2 TIP3 5036 0.609 -37.968 -9.077 1.00 0.00 WAT +ATOM 21419 OH2 TIP3 5037 1.185 -40.399 -11.182 1.00 0.00 WAT +ATOM 21420 H1 TIP3 5037 1.726 -39.814 -11.760 1.00 0.00 WAT +ATOM 21421 H2 TIP3 5037 0.280 -40.246 -11.520 1.00 0.00 WAT +ATOM 21422 OH2 TIP3 5038 2.641 -34.911 -10.751 1.00 0.00 WAT +ATOM 21423 H1 TIP3 5038 3.558 -34.949 -11.072 1.00 0.00 WAT +ATOM 21424 H2 TIP3 5038 2.384 -34.010 -11.028 1.00 0.00 WAT +ATOM 21425 OH2 TIP3 5039 7.257 -36.932 -5.951 1.00 0.00 WAT +ATOM 21426 H1 TIP3 5039 7.456 -37.856 -5.728 1.00 0.00 WAT +ATOM 21427 H2 TIP3 5039 8.144 -36.541 -5.986 1.00 0.00 WAT +ATOM 21428 OH2 TIP3 5040 8.256 -34.162 -7.396 1.00 0.00 WAT +ATOM 21429 H1 TIP3 5040 7.890 -33.547 -8.071 1.00 0.00 WAT +ATOM 21430 H2 TIP3 5040 9.122 -34.340 -7.811 1.00 0.00 WAT +ATOM 21431 OH2 TIP3 5041 -0.975 -36.957 -6.745 1.00 0.00 WAT +ATOM 21432 H1 TIP3 5041 -1.493 -37.777 -6.744 1.00 0.00 WAT +ATOM 21433 H2 TIP3 5041 -0.160 -37.241 -7.188 1.00 0.00 WAT +ATOM 21434 OH2 TIP3 5042 1.654 -42.790 -9.972 1.00 0.00 WAT +ATOM 21435 H1 TIP3 5042 1.808 -41.884 -10.312 1.00 0.00 WAT +ATOM 21436 H2 TIP3 5042 0.709 -42.854 -10.158 1.00 0.00 WAT +ATOM 21437 OH2 TIP3 5043 3.166 -38.483 -6.960 1.00 0.00 WAT +ATOM 21438 H1 TIP3 5043 2.822 -38.711 -6.080 1.00 0.00 WAT +ATOM 21439 H2 TIP3 5043 2.360 -38.643 -7.493 1.00 0.00 WAT +ATOM 21440 OH2 TIP3 5044 5.722 -39.474 -8.030 1.00 0.00 WAT +ATOM 21441 H1 TIP3 5044 4.842 -39.298 -7.647 1.00 0.00 WAT +ATOM 21442 H2 TIP3 5044 6.103 -40.086 -7.378 1.00 0.00 WAT +ATOM 21443 OH2 TIP3 5045 7.487 -41.369 -6.296 1.00 0.00 WAT +ATOM 21444 H1 TIP3 5045 7.297 -42.229 -5.905 1.00 0.00 WAT +ATOM 21445 H2 TIP3 5045 7.306 -40.755 -5.565 1.00 0.00 WAT +ATOM 21446 OH2 TIP3 5046 -2.158 -39.630 -6.864 1.00 0.00 WAT +ATOM 21447 H1 TIP3 5046 -2.455 -40.210 -7.586 1.00 0.00 WAT +ATOM 21448 H2 TIP3 5046 -2.660 -39.969 -6.109 1.00 0.00 WAT +ATOM 21449 OH2 TIP3 5047 2.760 -41.473 -5.832 1.00 0.00 WAT +ATOM 21450 H1 TIP3 5047 2.539 -42.270 -6.346 1.00 0.00 WAT +ATOM 21451 H2 TIP3 5047 1.934 -40.959 -5.855 1.00 0.00 WAT +ATOM 21452 OH2 TIP3 5048 1.725 -24.634 -22.633 1.00 0.00 WAT +ATOM 21453 H1 TIP3 5048 2.665 -24.482 -22.458 1.00 0.00 WAT +ATOM 21454 H2 TIP3 5048 1.610 -24.116 -23.440 1.00 0.00 WAT +ATOM 21455 OH2 TIP3 5049 -4.371 -30.251 -23.012 1.00 0.00 WAT +ATOM 21456 H1 TIP3 5049 -3.422 -30.003 -22.950 1.00 0.00 WAT +ATOM 21457 H2 TIP3 5049 -4.354 -30.974 -23.671 1.00 0.00 WAT +ATOM 21458 OH2 TIP3 5050 -5.916 -24.629 -17.819 1.00 0.00 WAT +ATOM 21459 H1 TIP3 5050 -6.330 -25.085 -18.570 1.00 0.00 WAT +ATOM 21460 H2 TIP3 5050 -5.601 -25.368 -17.278 1.00 0.00 WAT +ATOM 21461 OH2 TIP3 5051 -4.907 -27.030 -16.405 1.00 0.00 WAT +ATOM 21462 H1 TIP3 5051 -5.262 -27.849 -16.018 1.00 0.00 WAT +ATOM 21463 H2 TIP3 5051 -4.582 -26.620 -15.584 1.00 0.00 WAT +ATOM 21464 OH2 TIP3 5052 12.563 -25.746 -13.352 1.00 0.00 WAT +ATOM 21465 H1 TIP3 5052 12.677 -25.715 -12.389 1.00 0.00 WAT +ATOM 21466 H2 TIP3 5052 13.424 -25.424 -13.652 1.00 0.00 WAT +ATOM 21467 OH2 TIP3 5053 12.451 -26.276 -10.482 1.00 0.00 WAT +ATOM 21468 H1 TIP3 5053 11.931 -27.030 -10.812 1.00 0.00 WAT +ATOM 21469 H2 TIP3 5053 13.005 -26.715 -9.820 1.00 0.00 WAT +ATOM 21470 OH2 TIP3 5054 10.473 -30.841 -6.147 1.00 0.00 WAT +ATOM 21471 H1 TIP3 5054 9.577 -30.763 -5.778 1.00 0.00 WAT +ATOM 21472 H2 TIP3 5054 10.898 -30.016 -5.861 1.00 0.00 WAT +ATOM 21473 OH2 TIP3 5055 11.859 -31.946 -20.445 1.00 0.00 WAT +ATOM 21474 H1 TIP3 5055 12.765 -31.633 -20.263 1.00 0.00 WAT +ATOM 21475 H2 TIP3 5055 11.749 -32.580 -19.712 1.00 0.00 WAT +ATOM 21476 OH2 TIP3 5056 12.311 -34.002 -18.476 1.00 0.00 WAT +ATOM 21477 H1 TIP3 5056 11.636 -34.563 -18.038 1.00 0.00 WAT +ATOM 21478 H2 TIP3 5056 12.978 -33.871 -17.775 1.00 0.00 WAT +ATOM 21479 OH2 TIP3 5057 12.021 -31.514 -13.424 1.00 0.00 WAT +ATOM 21480 H1 TIP3 5057 12.624 -31.992 -14.013 1.00 0.00 WAT +ATOM 21481 H2 TIP3 5057 12.119 -30.599 -13.737 1.00 0.00 WAT +ATOM 21482 OH2 TIP3 5058 10.743 -28.592 -11.231 1.00 0.00 WAT +ATOM 21483 H1 TIP3 5058 10.021 -28.175 -10.726 1.00 0.00 WAT +ATOM 21484 H2 TIP3 5058 10.272 -28.934 -12.015 1.00 0.00 WAT +ATOM 21485 OH2 TIP3 5059 12.595 -34.536 -21.898 1.00 0.00 WAT +ATOM 21486 H1 TIP3 5059 12.064 -34.239 -22.660 1.00 0.00 WAT +ATOM 21487 H2 TIP3 5059 12.432 -33.816 -21.268 1.00 0.00 WAT +ATOM 21488 OH2 TIP3 5060 10.832 -36.984 -23.632 1.00 0.00 WAT +ATOM 21489 H1 TIP3 5060 11.109 -36.381 -24.335 1.00 0.00 WAT +ATOM 21490 H2 TIP3 5060 10.588 -37.788 -24.123 1.00 0.00 WAT +ATOM 21491 OH2 TIP3 5061 10.369 -35.896 -17.646 1.00 0.00 WAT +ATOM 21492 H1 TIP3 5061 10.177 -36.830 -17.818 1.00 0.00 WAT +ATOM 21493 H2 TIP3 5061 9.906 -35.778 -16.781 1.00 0.00 WAT +ATOM 21494 OH2 TIP3 5062 -4.909 -33.648 -13.948 1.00 0.00 WAT +ATOM 21495 H1 TIP3 5062 -4.605 -33.583 -14.865 1.00 0.00 WAT +ATOM 21496 H2 TIP3 5062 -4.068 -33.854 -13.491 1.00 0.00 WAT +ATOM 21497 OH2 TIP3 5063 10.862 -33.941 -8.523 1.00 0.00 WAT +ATOM 21498 H1 TIP3 5063 11.608 -34.538 -8.331 1.00 0.00 WAT +ATOM 21499 H2 TIP3 5063 11.299 -33.098 -8.705 1.00 0.00 WAT +ATOM 21500 OH2 TIP3 5064 12.414 -35.833 -7.282 1.00 0.00 WAT +ATOM 21501 H1 TIP3 5064 11.613 -36.348 -7.521 1.00 0.00 WAT +ATOM 21502 H2 TIP3 5064 13.099 -36.526 -7.304 1.00 0.00 WAT +ATOM 21503 OH2 TIP3 5065 10.266 -39.698 -24.470 1.00 0.00 WAT +ATOM 21504 H1 TIP3 5065 10.847 -40.117 -23.811 1.00 0.00 WAT +ATOM 21505 H2 TIP3 5065 9.433 -40.175 -24.358 1.00 0.00 WAT +ATOM 21506 OH2 TIP3 5066 10.048 -38.259 -19.476 1.00 0.00 WAT +ATOM 21507 H1 TIP3 5066 10.211 -39.227 -19.399 1.00 0.00 WAT +ATOM 21508 H2 TIP3 5066 10.891 -37.963 -19.854 1.00 0.00 WAT +ATOM 21509 OH2 TIP3 5067 10.320 -37.832 -14.061 1.00 0.00 WAT +ATOM 21510 H1 TIP3 5067 11.280 -37.656 -14.082 1.00 0.00 WAT +ATOM 21511 H2 TIP3 5067 10.148 -37.741 -13.109 1.00 0.00 WAT +ATOM 21512 OH2 TIP3 5068 10.499 -37.071 -11.222 1.00 0.00 WAT +ATOM 21513 H1 TIP3 5068 9.658 -36.663 -10.931 1.00 0.00 WAT +ATOM 21514 H2 TIP3 5068 11.028 -36.278 -11.426 1.00 0.00 WAT +ATOM 21515 OH2 TIP3 5069 -5.066 -38.364 -7.433 1.00 0.00 WAT +ATOM 21516 H1 TIP3 5069 -4.137 -38.572 -7.595 1.00 0.00 WAT +ATOM 21517 H2 TIP3 5069 -5.484 -39.238 -7.441 1.00 0.00 WAT +ATOM 21518 OH2 TIP3 5070 12.686 -42.755 -5.427 1.00 0.00 WAT +ATOM 21519 H1 TIP3 5070 13.091 -43.588 -5.686 1.00 0.00 WAT +ATOM 21520 H2 TIP3 5070 12.659 -42.186 -6.230 1.00 0.00 WAT +ATOM 21521 OH2 TIP3 5071 10.420 -40.992 -19.397 1.00 0.00 WAT +ATOM 21522 H1 TIP3 5071 10.582 -41.453 -18.564 1.00 0.00 WAT +ATOM 21523 H2 TIP3 5071 9.749 -41.570 -19.806 1.00 0.00 WAT +ATOM 21524 OH2 TIP3 5072 -4.295 -39.895 -14.773 1.00 0.00 WAT +ATOM 21525 H1 TIP3 5072 -3.996 -40.822 -14.640 1.00 0.00 WAT +ATOM 21526 H2 TIP3 5072 -3.560 -39.397 -14.369 1.00 0.00 WAT +ATOM 21527 OH2 TIP3 5073 -5.696 -37.290 -13.730 1.00 0.00 WAT +ATOM 21528 H1 TIP3 5073 -5.082 -37.302 -14.479 1.00 0.00 WAT +ATOM 21529 H2 TIP3 5073 -5.347 -36.559 -13.203 1.00 0.00 WAT +ATOM 21530 OH2 TIP3 5074 12.431 -41.125 -7.587 1.00 0.00 WAT +ATOM 21531 H1 TIP3 5074 11.586 -40.641 -7.507 1.00 0.00 WAT +ATOM 21532 H2 TIP3 5074 12.334 -41.461 -8.495 1.00 0.00 WAT +ATOM 21533 OH2 TIP3 5075 12.500 -40.592 -22.786 1.00 0.00 WAT +ATOM 21534 H1 TIP3 5075 12.710 -41.444 -23.219 1.00 0.00 WAT +ATOM 21535 H2 TIP3 5075 13.358 -40.145 -22.740 1.00 0.00 WAT +ATOM 21536 OH2 TIP3 5076 -5.157 -41.036 -19.661 1.00 0.00 WAT +ATOM 21537 H1 TIP3 5076 -6.107 -40.938 -19.848 1.00 0.00 WAT +ATOM 21538 H2 TIP3 5076 -4.757 -40.344 -20.228 1.00 0.00 WAT +ATOM 21539 OH2 TIP3 5077 9.424 -25.646 -17.563 1.00 0.00 WAT +ATOM 21540 H1 TIP3 5077 9.936 -25.934 -18.336 1.00 0.00 WAT +ATOM 21541 H2 TIP3 5077 10.114 -25.308 -16.977 1.00 0.00 WAT +ATOM 21542 OH2 TIP3 5078 -5.413 -41.273 -11.118 1.00 0.00 WAT +ATOM 21543 H1 TIP3 5078 -5.338 -42.215 -10.866 1.00 0.00 WAT +ATOM 21544 H2 TIP3 5078 -5.590 -41.345 -12.065 1.00 0.00 WAT +ATOM 21545 OH2 TIP3 5079 -0.300 -28.024 -11.174 1.00 0.00 WAT +ATOM 21546 H1 TIP3 5079 -0.651 -27.154 -11.434 1.00 0.00 WAT +ATOM 21547 H2 TIP3 5079 0.656 -27.864 -11.299 1.00 0.00 WAT +ATOM 21548 OH2 TIP3 5080 4.207 -26.706 -8.145 1.00 0.00 WAT +ATOM 21549 H1 TIP3 5080 4.321 -26.821 -7.191 1.00 0.00 WAT +ATOM 21550 H2 TIP3 5080 5.026 -26.224 -8.385 1.00 0.00 WAT +ATOM 21551 OH2 TIP3 5081 6.488 -25.236 -8.814 1.00 0.00 WAT +ATOM 21552 H1 TIP3 5081 7.200 -25.848 -9.054 1.00 0.00 WAT +ATOM 21553 H2 TIP3 5081 6.790 -24.904 -7.950 1.00 0.00 WAT +ATOM 21554 OH2 TIP3 5082 11.062 -42.775 -9.680 1.00 0.00 WAT +ATOM 21555 H1 TIP3 5082 10.567 -42.134 -10.221 1.00 0.00 WAT +ATOM 21556 H2 TIP3 5082 11.270 -43.436 -10.360 1.00 0.00 WAT +ATOM 21557 OH2 TIP3 5083 -3.051 -24.913 -10.918 1.00 0.00 WAT +ATOM 21558 H1 TIP3 5083 -3.733 -24.282 -11.193 1.00 0.00 WAT +ATOM 21559 H2 TIP3 5083 -3.239 -24.971 -9.967 1.00 0.00 WAT +ATOM 21560 OH2 TIP3 5084 -0.508 -25.279 -12.282 1.00 0.00 WAT +ATOM 21561 H1 TIP3 5084 -1.345 -25.057 -11.825 1.00 0.00 WAT +ATOM 21562 H2 TIP3 5084 -0.427 -24.544 -12.918 1.00 0.00 WAT +ATOM 21563 OH2 TIP3 5085 4.297 -25.256 -12.705 1.00 0.00 WAT +ATOM 21564 H1 TIP3 5085 3.928 -24.769 -13.461 1.00 0.00 WAT +ATOM 21565 H2 TIP3 5085 4.388 -24.539 -12.044 1.00 0.00 WAT +ATOM 21566 OH2 TIP3 5086 6.647 -26.512 -11.781 1.00 0.00 WAT +ATOM 21567 H1 TIP3 5086 5.793 -26.159 -12.093 1.00 0.00 WAT +ATOM 21568 H2 TIP3 5086 7.195 -25.715 -11.769 1.00 0.00 WAT +ATOM 21569 OH2 TIP3 5087 9.181 -24.831 -11.554 1.00 0.00 WAT +ATOM 21570 H1 TIP3 5087 9.156 -23.869 -11.726 1.00 0.00 WAT +ATOM 21571 H2 TIP3 5087 9.460 -25.163 -12.421 1.00 0.00 WAT +ATOM 21572 OH2 TIP3 5088 -3.404 -26.277 -13.890 1.00 0.00 WAT +ATOM 21573 H1 TIP3 5088 -3.429 -26.691 -12.997 1.00 0.00 WAT +ATOM 21574 H2 TIP3 5088 -2.559 -26.633 -14.213 1.00 0.00 WAT +ATOM 21575 OH2 TIP3 5089 -1.280 -27.553 -15.553 1.00 0.00 WAT +ATOM 21576 H1 TIP3 5089 -1.483 -28.410 -15.117 1.00 0.00 WAT +ATOM 21577 H2 TIP3 5089 -0.431 -27.311 -15.126 1.00 0.00 WAT +ATOM 21578 OH2 TIP3 5090 1.384 -27.046 -14.533 1.00 0.00 WAT +ATOM 21579 H1 TIP3 5090 1.618 -27.976 -14.696 1.00 0.00 WAT +ATOM 21580 H2 TIP3 5090 1.484 -27.006 -13.567 1.00 0.00 WAT +ATOM 21581 OH2 TIP3 5091 4.767 -41.145 -15.206 1.00 0.00 WAT +ATOM 21582 H1 TIP3 5091 4.095 -41.816 -14.986 1.00 0.00 WAT +ATOM 21583 H2 TIP3 5091 5.322 -41.613 -15.849 1.00 0.00 WAT +ATOM 21584 OH2 TIP3 5092 9.966 -43.402 -14.876 1.00 0.00 WAT +ATOM 21585 H1 TIP3 5092 10.588 -42.879 -15.411 1.00 0.00 WAT +ATOM 21586 H2 TIP3 5092 9.122 -42.978 -15.075 1.00 0.00 WAT +ATOM 21587 OH2 TIP3 5093 12.017 -42.279 -16.951 1.00 0.00 WAT +ATOM 21588 H1 TIP3 5093 12.474 -42.418 -17.786 1.00 0.00 WAT +ATOM 21589 H2 TIP3 5093 12.113 -41.317 -16.821 1.00 0.00 WAT +ATOM 21590 OH2 TIP3 5094 -2.921 -42.852 -17.983 1.00 0.00 WAT +ATOM 21591 H1 TIP3 5094 -3.852 -43.055 -18.121 1.00 0.00 WAT +ATOM 21592 H2 TIP3 5094 -2.596 -43.644 -17.544 1.00 0.00 WAT +ATOM 21593 OH2 TIP3 5095 -4.336 -42.909 -21.687 1.00 0.00 WAT +ATOM 21594 H1 TIP3 5095 -3.883 -42.424 -22.402 1.00 0.00 WAT +ATOM 21595 H2 TIP3 5095 -4.710 -42.178 -21.165 1.00 0.00 WAT +ATOM 21596 OH2 TIP3 5096 1.621 -42.567 -17.855 1.00 0.00 WAT +ATOM 21597 H1 TIP3 5096 2.537 -42.241 -17.831 1.00 0.00 WAT +ATOM 21598 H2 TIP3 5096 1.480 -42.822 -16.936 1.00 0.00 WAT +ATOM 21599 OH2 TIP3 5097 7.052 -42.664 -16.331 1.00 0.00 WAT +ATOM 21600 H1 TIP3 5097 7.450 -42.608 -17.208 1.00 0.00 WAT +ATOM 21601 H2 TIP3 5097 7.036 -43.607 -16.130 1.00 0.00 WAT +ATOM 21602 OH2 TIP3 5098 8.246 -42.729 -20.341 1.00 0.00 WAT +ATOM 21603 H1 TIP3 5098 7.514 -42.092 -20.476 1.00 0.00 WAT +ATOM 21604 H2 TIP3 5098 7.799 -43.582 -20.405 1.00 0.00 WAT +ATOM 21605 OH2 TIP3 5099 -3.940 -26.957 -20.647 1.00 0.00 WAT +ATOM 21606 H1 TIP3 5099 -4.605 -27.064 -21.344 1.00 0.00 WAT +ATOM 21607 H2 TIP3 5099 -3.875 -25.991 -20.627 1.00 0.00 WAT +ATOM 21608 OH2 TIP3 5100 -2.425 -41.252 -23.257 1.00 0.00 WAT +ATOM 21609 H1 TIP3 5100 -1.721 -41.616 -23.823 1.00 0.00 WAT +ATOM 21610 H2 TIP3 5100 -1.894 -40.742 -22.618 1.00 0.00 WAT +ATOM 21611 OH2 TIP3 5101 2.711 -40.590 -20.909 1.00 0.00 WAT +ATOM 21612 H1 TIP3 5101 3.019 -41.407 -20.478 1.00 0.00 WAT +ATOM 21613 H2 TIP3 5101 3.003 -39.898 -20.281 1.00 0.00 WAT +ATOM 21614 OH2 TIP3 5102 4.760 -25.135 -22.515 1.00 0.00 WAT +ATOM 21615 H1 TIP3 5102 5.735 -25.119 -22.556 1.00 0.00 WAT +ATOM 21616 H2 TIP3 5102 4.569 -25.791 -23.206 1.00 0.00 WAT +ATOM 21617 OH2 TIP3 5103 11.279 -26.108 -19.958 1.00 0.00 WAT +ATOM 21618 H1 TIP3 5103 11.037 -26.951 -20.391 1.00 0.00 WAT +ATOM 21619 H2 TIP3 5103 11.225 -25.489 -20.704 1.00 0.00 WAT +ATOM 21620 OH2 TIP3 5104 -3.307 -41.781 -8.455 1.00 0.00 WAT +ATOM 21621 H1 TIP3 5104 -3.753 -42.587 -8.159 1.00 0.00 WAT +ATOM 21622 H2 TIP3 5104 -2.418 -42.141 -8.584 1.00 0.00 WAT +ATOM 21623 OH2 TIP3 5105 -0.379 -42.781 -5.821 1.00 0.00 WAT +ATOM 21624 H1 TIP3 5105 0.494 -43.042 -6.191 1.00 0.00 WAT +ATOM 21625 H2 TIP3 5105 -0.627 -43.576 -5.337 1.00 0.00 WAT +ATOM 21626 OH2 TIP3 5106 -2.503 -26.061 -23.825 1.00 0.00 WAT +ATOM 21627 H1 TIP3 5106 -2.669 -25.727 -22.932 1.00 0.00 WAT +ATOM 21628 H2 TIP3 5106 -1.673 -26.556 -23.713 1.00 0.00 WAT +ATOM 21629 OH2 TIP3 5107 10.735 -27.362 -7.518 1.00 0.00 WAT +ATOM 21630 H1 TIP3 5107 10.021 -27.523 -8.164 1.00 0.00 WAT +ATOM 21631 H2 TIP3 5107 10.615 -26.406 -7.361 1.00 0.00 WAT +ATOM 21632 OH2 TIP3 5108 24.974 -33.676 -17.436 1.00 0.00 WAT +ATOM 21633 H1 TIP3 5108 24.964 -32.719 -17.275 1.00 0.00 WAT +ATOM 21634 H2 TIP3 5108 24.180 -33.784 -17.978 1.00 0.00 WAT +ATOM 21635 OH2 TIP3 5109 23.842 -34.237 -14.363 1.00 0.00 WAT +ATOM 21636 H1 TIP3 5109 23.804 -34.759 -13.545 1.00 0.00 WAT +ATOM 21637 H2 TIP3 5109 23.520 -34.871 -15.019 1.00 0.00 WAT +ATOM 21638 OH2 TIP3 5110 16.323 -34.651 -12.692 1.00 0.00 WAT +ATOM 21639 H1 TIP3 5110 16.281 -35.385 -12.052 1.00 0.00 WAT +ATOM 21640 H2 TIP3 5110 16.990 -34.084 -12.279 1.00 0.00 WAT +ATOM 21641 OH2 TIP3 5111 27.526 -31.435 -15.981 1.00 0.00 WAT +ATOM 21642 H1 TIP3 5111 27.148 -32.112 -15.404 1.00 0.00 WAT +ATOM 21643 H2 TIP3 5111 27.811 -30.774 -15.332 1.00 0.00 WAT +ATOM 21644 OH2 TIP3 5112 16.956 -29.987 -14.191 1.00 0.00 WAT +ATOM 21645 H1 TIP3 5112 16.713 -30.908 -14.424 1.00 0.00 WAT +ATOM 21646 H2 TIP3 5112 17.882 -30.118 -13.941 1.00 0.00 WAT +ATOM 21647 OH2 TIP3 5113 13.954 -36.614 -18.806 1.00 0.00 WAT +ATOM 21648 H1 TIP3 5113 13.560 -35.736 -18.671 1.00 0.00 WAT +ATOM 21649 H2 TIP3 5113 13.198 -37.103 -19.152 1.00 0.00 WAT +ATOM 21650 OH2 TIP3 5114 14.758 -34.132 -16.938 1.00 0.00 WAT +ATOM 21651 H1 TIP3 5114 14.893 -34.960 -16.437 1.00 0.00 WAT +ATOM 21652 H2 TIP3 5114 15.601 -34.044 -17.399 1.00 0.00 WAT +ATOM 21653 OH2 TIP3 5115 24.509 -26.156 -15.483 1.00 0.00 WAT +ATOM 21654 H1 TIP3 5115 25.129 -26.850 -15.770 1.00 0.00 WAT +ATOM 21655 H2 TIP3 5115 24.275 -26.445 -14.591 1.00 0.00 WAT +ATOM 21656 OH2 TIP3 5116 22.308 -31.718 -13.792 1.00 0.00 WAT +ATOM 21657 H1 TIP3 5116 22.649 -32.436 -14.351 1.00 0.00 WAT +ATOM 21658 H2 TIP3 5116 23.110 -31.554 -13.256 1.00 0.00 WAT +ATOM 21659 OH2 TIP3 5117 30.866 -40.180 -13.245 1.00 0.00 WAT +ATOM 21660 H1 TIP3 5117 31.159 -39.780 -12.410 1.00 0.00 WAT +ATOM 21661 H2 TIP3 5117 31.530 -39.814 -13.854 1.00 0.00 WAT +ATOM 21662 OH2 TIP3 5118 25.606 -37.403 -13.257 1.00 0.00 WAT +ATOM 21663 H1 TIP3 5118 25.777 -38.359 -13.246 1.00 0.00 WAT +ATOM 21664 H2 TIP3 5118 25.497 -37.237 -14.207 1.00 0.00 WAT +ATOM 21665 OH2 TIP3 5119 18.566 -39.416 -16.171 1.00 0.00 WAT +ATOM 21666 H1 TIP3 5119 18.716 -38.557 -16.611 1.00 0.00 WAT +ATOM 21667 H2 TIP3 5119 18.217 -39.933 -16.921 1.00 0.00 WAT +ATOM 21668 OH2 TIP3 5120 26.455 -39.259 -17.865 1.00 0.00 WAT +ATOM 21669 H1 TIP3 5120 27.057 -39.631 -17.192 1.00 0.00 WAT +ATOM 21670 H2 TIP3 5120 27.066 -38.741 -18.409 1.00 0.00 WAT +ATOM 21671 OH2 TIP3 5121 15.276 -36.610 -15.698 1.00 0.00 WAT +ATOM 21672 H1 TIP3 5121 15.856 -37.105 -15.100 1.00 0.00 WAT +ATOM 21673 H2 TIP3 5121 15.342 -37.130 -16.517 1.00 0.00 WAT +ATOM 21674 OH2 TIP3 5122 20.663 -35.249 -16.251 1.00 0.00 WAT +ATOM 21675 H1 TIP3 5122 21.348 -35.804 -15.831 1.00 0.00 WAT +ATOM 21676 H2 TIP3 5122 20.135 -35.920 -16.722 1.00 0.00 WAT +ATOM 21677 OH2 TIP3 5123 31.798 -38.472 -10.578 1.00 0.00 WAT +ATOM 21678 H1 TIP3 5123 31.028 -37.965 -10.885 1.00 0.00 WAT +ATOM 21679 H2 TIP3 5123 31.450 -38.881 -9.777 1.00 0.00 WAT +ATOM 21680 OH2 TIP3 5124 17.365 -40.562 -12.011 1.00 0.00 WAT +ATOM 21681 H1 TIP3 5124 17.031 -39.998 -12.730 1.00 0.00 WAT +ATOM 21682 H2 TIP3 5124 16.693 -40.370 -11.325 1.00 0.00 WAT +ATOM 21683 OH2 TIP3 5125 24.906 -30.802 -18.653 1.00 0.00 WAT +ATOM 21684 H1 TIP3 5125 24.525 -31.034 -19.504 1.00 0.00 WAT +ATOM 21685 H2 TIP3 5125 24.441 -29.972 -18.437 1.00 0.00 WAT +ATOM 21686 OH2 TIP3 5126 20.300 -32.700 -11.917 1.00 0.00 WAT +ATOM 21687 H1 TIP3 5126 19.569 -32.103 -11.648 1.00 0.00 WAT +ATOM 21688 H2 TIP3 5126 20.926 -32.079 -12.332 1.00 0.00 WAT +ATOM 21689 OH2 TIP3 5127 28.404 -40.184 -15.807 1.00 0.00 WAT +ATOM 21690 H1 TIP3 5127 27.829 -40.586 -15.140 1.00 0.00 WAT +ATOM 21691 H2 TIP3 5127 28.852 -39.500 -15.276 1.00 0.00 WAT +ATOM 21692 OH2 TIP3 5128 16.979 -38.567 -14.067 1.00 0.00 WAT +ATOM 21693 H1 TIP3 5128 17.595 -37.945 -13.626 1.00 0.00 WAT +ATOM 21694 H2 TIP3 5128 17.551 -38.896 -14.795 1.00 0.00 WAT +ATOM 21695 OH2 TIP3 5129 18.288 -30.832 -11.193 1.00 0.00 WAT +ATOM 21696 H1 TIP3 5129 18.270 -29.901 -11.481 1.00 0.00 WAT +ATOM 21697 H2 TIP3 5129 17.424 -30.879 -10.737 1.00 0.00 WAT +ATOM 21698 OH2 TIP3 5130 14.628 -31.118 -20.303 1.00 0.00 WAT +ATOM 21699 H1 TIP3 5130 14.408 -30.609 -21.102 1.00 0.00 WAT +ATOM 21700 H2 TIP3 5130 14.786 -30.420 -19.631 1.00 0.00 WAT +ATOM 21701 OH2 TIP3 5131 28.176 -29.364 -13.726 1.00 0.00 WAT +ATOM 21702 H1 TIP3 5131 27.221 -29.185 -13.633 1.00 0.00 WAT +ATOM 21703 H2 TIP3 5131 28.545 -28.500 -13.971 1.00 0.00 WAT +ATOM 21704 OH2 TIP3 5132 28.490 -41.109 -11.808 1.00 0.00 WAT +ATOM 21705 H1 TIP3 5132 27.680 -40.769 -12.222 1.00 0.00 WAT +ATOM 21706 H2 TIP3 5132 29.148 -40.952 -12.510 1.00 0.00 WAT +ATOM 21707 OH2 TIP3 5133 21.586 43.809 -14.799 1.00 0.00 WAT +ATOM 21708 H1 TIP3 5133 21.545 42.855 -14.669 1.00 0.00 WAT +ATOM 21709 H2 TIP3 5133 20.722 44.127 -14.468 1.00 0.00 WAT +ATOM 21710 OH2 TIP3 5134 26.371 -27.732 -16.979 1.00 0.00 WAT +ATOM 21711 H1 TIP3 5134 26.873 -28.519 -17.257 1.00 0.00 WAT +ATOM 21712 H2 TIP3 5134 27.045 -27.031 -17.054 1.00 0.00 WAT +ATOM 21713 OH2 TIP3 5135 27.867 -29.920 -18.391 1.00 0.00 WAT +ATOM 21714 H1 TIP3 5135 27.227 -30.346 -18.978 1.00 0.00 WAT +ATOM 21715 H2 TIP3 5135 27.809 -30.491 -17.601 1.00 0.00 WAT +ATOM 21716 OH2 TIP3 5136 29.355 -31.129 -9.806 1.00 0.00 WAT +ATOM 21717 H1 TIP3 5136 29.253 -31.702 -10.585 1.00 0.00 WAT +ATOM 21718 H2 TIP3 5136 29.413 -30.241 -10.235 1.00 0.00 WAT +ATOM 21719 OH2 TIP3 5137 23.606 -34.173 -20.155 1.00 0.00 WAT +ATOM 21720 H1 TIP3 5137 22.943 -33.541 -20.498 1.00 0.00 WAT +ATOM 21721 H2 TIP3 5137 24.319 -34.084 -20.806 1.00 0.00 WAT +ATOM 21722 OH2 TIP3 5138 23.907 -35.964 -23.103 1.00 0.00 WAT +ATOM 21723 H1 TIP3 5138 24.591 -35.647 -22.485 1.00 0.00 WAT +ATOM 21724 H2 TIP3 5138 24.437 -36.525 -23.687 1.00 0.00 WAT +ATOM 21725 OH2 TIP3 5139 31.112 -34.892 -11.927 1.00 0.00 WAT +ATOM 21726 H1 TIP3 5139 30.389 -34.239 -11.833 1.00 0.00 WAT +ATOM 21727 H2 TIP3 5139 31.592 -34.522 -12.696 1.00 0.00 WAT +ATOM 21728 OH2 TIP3 5140 27.127 -34.163 -19.079 1.00 0.00 WAT +ATOM 21729 H1 TIP3 5140 26.438 -33.922 -18.417 1.00 0.00 WAT +ATOM 21730 H2 TIP3 5140 27.730 -34.693 -18.530 1.00 0.00 WAT +ATOM 21731 OH2 TIP3 5141 26.965 -35.624 -10.247 1.00 0.00 WAT +ATOM 21732 H1 TIP3 5141 27.034 -34.816 -9.710 1.00 0.00 WAT +ATOM 21733 H2 TIP3 5141 26.321 -35.305 -10.904 1.00 0.00 WAT +ATOM 21734 OH2 TIP3 5142 18.722 -33.374 -17.304 1.00 0.00 WAT +ATOM 21735 H1 TIP3 5142 18.412 -33.807 -18.122 1.00 0.00 WAT +ATOM 21736 H2 TIP3 5142 19.377 -34.013 -16.970 1.00 0.00 WAT +ATOM 21737 OH2 TIP3 5143 20.087 -29.966 -14.568 1.00 0.00 WAT +ATOM 21738 H1 TIP3 5143 19.983 -30.372 -15.438 1.00 0.00 WAT +ATOM 21739 H2 TIP3 5143 20.880 -30.424 -14.228 1.00 0.00 WAT +ATOM 21740 OH2 TIP3 5144 19.342 -34.590 -13.809 1.00 0.00 WAT +ATOM 21741 H1 TIP3 5144 19.905 -34.505 -14.600 1.00 0.00 WAT +ATOM 21742 H2 TIP3 5144 19.691 -33.892 -13.222 1.00 0.00 WAT +ATOM 21743 OH2 TIP3 5145 25.306 -29.035 -13.240 1.00 0.00 WAT +ATOM 21744 H1 TIP3 5145 25.255 -28.362 -12.537 1.00 0.00 WAT +ATOM 21745 H2 TIP3 5145 25.077 -29.858 -12.774 1.00 0.00 WAT +ATOM 21746 OH2 TIP3 5146 20.142 -30.263 -8.968 1.00 0.00 WAT +ATOM 21747 H1 TIP3 5146 19.646 -29.579 -8.481 1.00 0.00 WAT +ATOM 21748 H2 TIP3 5146 19.501 -30.501 -9.663 1.00 0.00 WAT +ATOM 21749 OH2 TIP3 5147 26.108 -34.739 -21.617 1.00 0.00 WAT +ATOM 21750 H1 TIP3 5147 26.550 -34.424 -20.799 1.00 0.00 WAT +ATOM 21751 H2 TIP3 5147 26.588 -34.205 -22.298 1.00 0.00 WAT +ATOM 21752 OH2 TIP3 5148 17.084 -33.867 -9.853 1.00 0.00 WAT +ATOM 21753 H1 TIP3 5148 17.140 -33.268 -9.085 1.00 0.00 WAT +ATOM 21754 H2 TIP3 5148 16.120 -33.978 -9.934 1.00 0.00 WAT +ATOM 21755 OH2 TIP3 5149 23.542 -28.102 -18.059 1.00 0.00 WAT +ATOM 21756 H1 TIP3 5149 23.999 -27.806 -17.262 1.00 0.00 WAT +ATOM 21757 H2 TIP3 5149 23.039 -27.315 -18.319 1.00 0.00 WAT +ATOM 21758 OH2 TIP3 5150 18.263 -28.097 -8.167 1.00 0.00 WAT +ATOM 21759 H1 TIP3 5150 18.134 -28.024 -9.128 1.00 0.00 WAT +ATOM 21760 H2 TIP3 5150 17.374 -28.331 -7.840 1.00 0.00 WAT +ATOM 21761 OH2 TIP3 5151 29.915 -43.378 -21.626 1.00 0.00 WAT +ATOM 21762 H1 TIP3 5151 28.971 -43.244 -21.427 1.00 0.00 WAT +ATOM 21763 H2 TIP3 5151 30.133 -42.546 -22.075 1.00 0.00 WAT +ATOM 21764 OH2 TIP3 5152 17.654 -34.640 -19.772 1.00 0.00 WAT +ATOM 21765 H1 TIP3 5152 17.438 -33.867 -20.323 1.00 0.00 WAT +ATOM 21766 H2 TIP3 5152 16.968 -35.268 -20.034 1.00 0.00 WAT +ATOM 21767 OH2 TIP3 5153 30.910 -28.809 -23.621 1.00 0.00 WAT +ATOM 21768 H1 TIP3 5153 31.073 -27.879 -23.368 1.00 0.00 WAT +ATOM 21769 H2 TIP3 5153 31.765 -29.226 -23.398 1.00 0.00 WAT +ATOM 21770 OH2 TIP3 5154 13.732 -31.960 -11.040 1.00 0.00 WAT +ATOM 21771 H1 TIP3 5154 13.254 -31.946 -11.893 1.00 0.00 WAT +ATOM 21772 H2 TIP3 5154 13.829 -32.917 -10.878 1.00 0.00 WAT +ATOM 21773 OH2 TIP3 5155 13.766 -29.025 -14.132 1.00 0.00 WAT +ATOM 21774 H1 TIP3 5155 14.685 -29.318 -14.050 1.00 0.00 WAT +ATOM 21775 H2 TIP3 5155 13.690 -28.429 -13.373 1.00 0.00 WAT +ATOM 21776 OH2 TIP3 5156 32.166 -28.457 -8.264 1.00 0.00 WAT +ATOM 21777 H1 TIP3 5156 32.013 -29.387 -8.502 1.00 0.00 WAT +ATOM 21778 H2 TIP3 5156 31.250 -28.175 -8.046 1.00 0.00 WAT +ATOM 21779 OH2 TIP3 5157 22.791 -29.197 -9.543 1.00 0.00 WAT +ATOM 21780 H1 TIP3 5157 22.881 -28.374 -9.018 1.00 0.00 WAT +ATOM 21781 H2 TIP3 5157 21.889 -29.485 -9.301 1.00 0.00 WAT +ATOM 21782 OH2 TIP3 5158 23.093 -25.384 -19.577 1.00 0.00 WAT +ATOM 21783 H1 TIP3 5158 23.084 -25.252 -20.540 1.00 0.00 WAT +ATOM 21784 H2 TIP3 5158 23.104 -24.475 -19.234 1.00 0.00 WAT +ATOM 21785 OH2 TIP3 5159 16.886 -26.249 -17.947 1.00 0.00 WAT +ATOM 21786 H1 TIP3 5159 17.044 -26.690 -17.086 1.00 0.00 WAT +ATOM 21787 H2 TIP3 5159 16.043 -26.642 -18.208 1.00 0.00 WAT +ATOM 21788 OH2 TIP3 5160 26.366 -25.972 -22.410 1.00 0.00 WAT +ATOM 21789 H1 TIP3 5160 26.945 -26.638 -22.827 1.00 0.00 WAT +ATOM 21790 H2 TIP3 5160 26.310 -26.313 -21.492 1.00 0.00 WAT +ATOM 21791 OH2 TIP3 5161 25.769 -26.537 -19.607 1.00 0.00 WAT +ATOM 21792 H1 TIP3 5161 24.821 -26.384 -19.439 1.00 0.00 WAT +ATOM 21793 H2 TIP3 5161 25.949 -27.214 -18.931 1.00 0.00 WAT +ATOM 21794 OH2 TIP3 5162 28.952 -37.086 -7.938 1.00 0.00 WAT +ATOM 21795 H1 TIP3 5162 28.421 -36.677 -8.636 1.00 0.00 WAT +ATOM 21796 H2 TIP3 5162 29.005 -38.011 -8.240 1.00 0.00 WAT +ATOM 21797 OH2 TIP3 5163 15.899 -30.413 -9.806 1.00 0.00 WAT +ATOM 21798 H1 TIP3 5163 16.163 -30.873 -8.984 1.00 0.00 WAT +ATOM 21799 H2 TIP3 5163 15.156 -30.953 -10.133 1.00 0.00 WAT +ATOM 21800 OH2 TIP3 5164 19.093 -42.194 -13.895 1.00 0.00 WAT +ATOM 21801 H1 TIP3 5164 18.243 -42.357 -14.324 1.00 0.00 WAT +ATOM 21802 H2 TIP3 5164 18.903 -41.358 -13.444 1.00 0.00 WAT +ATOM 21803 OH2 TIP3 5165 23.655 -42.627 -10.313 1.00 0.00 WAT +ATOM 21804 H1 TIP3 5165 23.854 -43.089 -9.493 1.00 0.00 WAT +ATOM 21805 H2 TIP3 5165 22.703 -42.773 -10.392 1.00 0.00 WAT +ATOM 21806 OH2 TIP3 5166 26.638 -38.630 -9.887 1.00 0.00 WAT +ATOM 21807 H1 TIP3 5166 26.053 -38.748 -9.117 1.00 0.00 WAT +ATOM 21808 H2 TIP3 5166 26.578 -37.675 -10.064 1.00 0.00 WAT +ATOM 21809 OH2 TIP3 5167 27.627 -33.649 -23.628 1.00 0.00 WAT +ATOM 21810 H1 TIP3 5167 27.438 -33.797 -24.573 1.00 0.00 WAT +ATOM 21811 H2 TIP3 5167 28.555 -33.360 -23.666 1.00 0.00 WAT +ATOM 21812 OH2 TIP3 5168 23.304 -39.955 -23.165 1.00 0.00 WAT +ATOM 21813 H1 TIP3 5168 22.753 -40.040 -22.360 1.00 0.00 WAT +ATOM 21814 H2 TIP3 5168 22.785 -40.540 -23.760 1.00 0.00 WAT +ATOM 21815 OH2 TIP3 5169 18.952 -37.159 -12.616 1.00 0.00 WAT +ATOM 21816 H1 TIP3 5169 18.353 -37.032 -11.860 1.00 0.00 WAT +ATOM 21817 H2 TIP3 5169 19.030 -36.247 -12.973 1.00 0.00 WAT +ATOM 21818 OH2 TIP3 5170 18.893 -37.092 -17.727 1.00 0.00 WAT +ATOM 21819 H1 TIP3 5170 17.934 -37.170 -17.884 1.00 0.00 WAT +ATOM 21820 H2 TIP3 5170 19.235 -37.264 -18.626 1.00 0.00 WAT +ATOM 21821 OH2 TIP3 5171 24.511 -36.525 -18.975 1.00 0.00 WAT +ATOM 21822 H1 TIP3 5171 24.096 -35.685 -19.276 1.00 0.00 WAT +ATOM 21823 H2 TIP3 5171 25.171 -36.658 -19.672 1.00 0.00 WAT +ATOM 21824 OH2 TIP3 5172 23.706 -36.333 -7.649 1.00 0.00 WAT +ATOM 21825 H1 TIP3 5172 23.181 -37.056 -7.252 1.00 0.00 WAT +ATOM 21826 H2 TIP3 5172 24.566 -36.436 -7.199 1.00 0.00 WAT +ATOM 21827 OH2 TIP3 5173 25.364 -37.116 -16.184 1.00 0.00 WAT +ATOM 21828 H1 TIP3 5173 25.067 -36.514 -16.895 1.00 0.00 WAT +ATOM 21829 H2 TIP3 5173 25.521 -37.924 -16.708 1.00 0.00 WAT +ATOM 21830 OH2 TIP3 5174 16.343 -36.984 -10.811 1.00 0.00 WAT +ATOM 21831 H1 TIP3 5174 16.554 -36.665 -9.926 1.00 0.00 WAT +ATOM 21832 H2 TIP3 5174 15.922 -37.843 -10.608 1.00 0.00 WAT +ATOM 21833 OH2 TIP3 5175 19.682 -39.445 -24.221 1.00 0.00 WAT +ATOM 21834 H1 TIP3 5175 19.330 -39.778 -23.375 1.00 0.00 WAT +ATOM 21835 H2 TIP3 5175 18.879 -39.266 -24.728 1.00 0.00 WAT +ATOM 21836 OH2 TIP3 5176 13.131 -39.543 -17.171 1.00 0.00 WAT +ATOM 21837 H1 TIP3 5176 13.681 -39.551 -16.362 1.00 0.00 WAT +ATOM 21838 H2 TIP3 5176 13.696 -39.954 -17.833 1.00 0.00 WAT +ATOM 21839 OH2 TIP3 5177 14.707 -39.113 -21.445 1.00 0.00 WAT +ATOM 21840 H1 TIP3 5177 15.253 -38.593 -22.068 1.00 0.00 WAT +ATOM 21841 H2 TIP3 5177 14.001 -38.467 -21.246 1.00 0.00 WAT +ATOM 21842 OH2 TIP3 5178 24.442 -35.436 -11.741 1.00 0.00 WAT +ATOM 21843 H1 TIP3 5178 24.892 -36.167 -12.220 1.00 0.00 WAT +ATOM 21844 H2 TIP3 5178 24.129 -35.885 -10.944 1.00 0.00 WAT +ATOM 21845 OH2 TIP3 5179 21.665 -39.455 -16.755 1.00 0.00 WAT +ATOM 21846 H1 TIP3 5179 20.722 -39.569 -16.545 1.00 0.00 WAT +ATOM 21847 H2 TIP3 5179 22.081 -39.699 -15.913 1.00 0.00 WAT +ATOM 21848 OH2 TIP3 5180 16.237 -38.265 -18.042 1.00 0.00 WAT +ATOM 21849 H1 TIP3 5180 15.420 -37.973 -18.488 1.00 0.00 WAT +ATOM 21850 H2 TIP3 5180 16.486 -39.078 -18.522 1.00 0.00 WAT +ATOM 21851 OH2 TIP3 5181 19.865 -37.928 -20.355 1.00 0.00 WAT +ATOM 21852 H1 TIP3 5181 20.830 -37.816 -20.320 1.00 0.00 WAT +ATOM 21853 H2 TIP3 5181 19.590 -37.331 -21.073 1.00 0.00 WAT +ATOM 21854 OH2 TIP3 5182 26.009 -40.329 -13.731 1.00 0.00 WAT +ATOM 21855 H1 TIP3 5182 25.412 -40.344 -12.952 1.00 0.00 WAT +ATOM 21856 H2 TIP3 5182 25.385 -40.639 -14.411 1.00 0.00 WAT +ATOM 21857 OH2 TIP3 5183 18.336 -36.736 -22.587 1.00 0.00 WAT +ATOM 21858 H1 TIP3 5183 17.738 -36.946 -23.320 1.00 0.00 WAT +ATOM 21859 H2 TIP3 5183 19.141 -36.485 -23.074 1.00 0.00 WAT +ATOM 21860 OH2 TIP3 5184 29.061 -24.573 -7.041 1.00 0.00 WAT +ATOM 21861 H1 TIP3 5184 29.255 -24.137 -7.892 1.00 0.00 WAT +ATOM 21862 H2 TIP3 5184 29.771 -24.235 -6.475 1.00 0.00 WAT +ATOM 21863 OH2 TIP3 5185 16.965 -31.963 -7.615 1.00 0.00 WAT +ATOM 21864 H1 TIP3 5185 17.641 -31.863 -6.912 1.00 0.00 WAT +ATOM 21865 H2 TIP3 5185 16.160 -31.949 -7.062 1.00 0.00 WAT +ATOM 21866 OH2 TIP3 5186 22.676 -36.947 -14.893 1.00 0.00 WAT +ATOM 21867 H1 TIP3 5186 23.408 -37.389 -15.347 1.00 0.00 WAT +ATOM 21868 H2 TIP3 5186 22.507 -37.549 -14.143 1.00 0.00 WAT +ATOM 21869 OH2 TIP3 5187 17.806 -40.667 -18.680 1.00 0.00 WAT +ATOM 21870 H1 TIP3 5187 17.356 -41.519 -18.543 1.00 0.00 WAT +ATOM 21871 H2 TIP3 5187 18.669 -40.942 -19.022 1.00 0.00 WAT +ATOM 21872 OH2 TIP3 5188 21.649 -38.483 -12.630 1.00 0.00 WAT +ATOM 21873 H1 TIP3 5188 20.887 -37.879 -12.635 1.00 0.00 WAT +ATOM 21874 H2 TIP3 5188 22.137 -38.208 -11.825 1.00 0.00 WAT +ATOM 21875 OH2 TIP3 5189 21.802 -32.110 -20.745 1.00 0.00 WAT +ATOM 21876 H1 TIP3 5189 21.030 -32.601 -21.098 1.00 0.00 WAT +ATOM 21877 H2 TIP3 5189 21.587 -32.039 -19.786 1.00 0.00 WAT +ATOM 21878 OH2 TIP3 5190 29.018 -32.978 -12.014 1.00 0.00 WAT +ATOM 21879 H1 TIP3 5190 29.519 -32.408 -12.641 1.00 0.00 WAT +ATOM 21880 H2 TIP3 5190 28.158 -33.056 -12.471 1.00 0.00 WAT +ATOM 21881 OH2 TIP3 5191 25.967 -39.308 -23.139 1.00 0.00 WAT +ATOM 21882 H1 TIP3 5191 24.984 -39.386 -23.110 1.00 0.00 WAT +ATOM 21883 H2 TIP3 5191 26.147 -38.625 -22.461 1.00 0.00 WAT +ATOM 21884 OH2 TIP3 5192 23.405 -32.098 -9.426 1.00 0.00 WAT +ATOM 21885 H1 TIP3 5192 23.131 -32.388 -8.545 1.00 0.00 WAT +ATOM 21886 H2 TIP3 5192 23.141 -31.164 -9.428 1.00 0.00 WAT +ATOM 21887 OH2 TIP3 5193 26.618 -37.494 -21.004 1.00 0.00 WAT +ATOM 21888 H1 TIP3 5193 27.481 -37.604 -20.565 1.00 0.00 WAT +ATOM 21889 H2 TIP3 5193 26.676 -36.581 -21.348 1.00 0.00 WAT +ATOM 21890 OH2 TIP3 5194 16.938 -32.703 -14.919 1.00 0.00 WAT +ATOM 21891 H1 TIP3 5194 17.491 -32.816 -15.710 1.00 0.00 WAT +ATOM 21892 H2 TIP3 5194 17.020 -33.568 -14.485 1.00 0.00 WAT +ATOM 21893 OH2 TIP3 5195 24.179 -30.735 -21.836 1.00 0.00 WAT +ATOM 21894 H1 TIP3 5195 23.931 -29.871 -21.446 1.00 0.00 WAT +ATOM 21895 H2 TIP3 5195 23.427 -31.284 -21.548 1.00 0.00 WAT +ATOM 21896 OH2 TIP3 5196 14.200 -34.445 -9.674 1.00 0.00 WAT +ATOM 21897 H1 TIP3 5196 14.335 -34.886 -8.812 1.00 0.00 WAT +ATOM 21898 H2 TIP3 5196 13.559 -35.025 -10.118 1.00 0.00 WAT +ATOM 21899 OH2 TIP3 5197 21.160 -34.938 -7.671 1.00 0.00 WAT +ATOM 21900 H1 TIP3 5197 20.806 -35.175 -8.546 1.00 0.00 WAT +ATOM 21901 H2 TIP3 5197 22.095 -35.185 -7.781 1.00 0.00 WAT +ATOM 21902 OH2 TIP3 5198 25.680 -29.561 -9.946 1.00 0.00 WAT +ATOM 21903 H1 TIP3 5198 24.723 -29.400 -10.003 1.00 0.00 WAT +ATOM 21904 H2 TIP3 5198 25.881 -29.234 -9.053 1.00 0.00 WAT +ATOM 21905 OH2 TIP3 5199 31.210 -37.459 -21.184 1.00 0.00 WAT +ATOM 21906 H1 TIP3 5199 30.654 -37.611 -21.976 1.00 0.00 WAT +ATOM 21907 H2 TIP3 5199 31.355 -36.498 -21.301 1.00 0.00 WAT +ATOM 21908 OH2 TIP3 5200 31.678 -31.443 -8.384 1.00 0.00 WAT +ATOM 21909 H1 TIP3 5200 30.742 -31.212 -8.572 1.00 0.00 WAT +ATOM 21910 H2 TIP3 5200 32.010 -31.577 -9.293 1.00 0.00 WAT +ATOM 21911 OH2 TIP3 5201 29.346 -28.854 -21.151 1.00 0.00 WAT +ATOM 21912 H1 TIP3 5201 29.179 -29.566 -20.514 1.00 0.00 WAT +ATOM 21913 H2 TIP3 5201 29.996 -29.240 -21.751 1.00 0.00 WAT +ATOM 21914 OH2 TIP3 5202 26.679 -33.496 -13.704 1.00 0.00 WAT +ATOM 21915 H1 TIP3 5202 25.742 -33.639 -13.936 1.00 0.00 WAT +ATOM 21916 H2 TIP3 5202 27.110 -34.210 -14.210 1.00 0.00 WAT +ATOM 21917 OH2 TIP3 5203 19.314 -29.434 -17.711 1.00 0.00 WAT +ATOM 21918 H1 TIP3 5203 19.727 -28.558 -17.786 1.00 0.00 WAT +ATOM 21919 H2 TIP3 5203 18.387 -29.226 -17.879 1.00 0.00 WAT +ATOM 21920 OH2 TIP3 5204 15.300 -34.625 -23.062 1.00 0.00 WAT +ATOM 21921 H1 TIP3 5204 15.867 -33.939 -22.662 1.00 0.00 WAT +ATOM 21922 H2 TIP3 5204 14.423 -34.370 -22.714 1.00 0.00 WAT +ATOM 21923 OH2 TIP3 5205 21.136 -31.731 -18.065 1.00 0.00 WAT +ATOM 21924 H1 TIP3 5205 20.841 -30.818 -17.908 1.00 0.00 WAT +ATOM 21925 H2 TIP3 5205 20.432 -32.229 -17.623 1.00 0.00 WAT +ATOM 21926 OH2 TIP3 5206 21.308 -27.476 -11.704 1.00 0.00 WAT +ATOM 21927 H1 TIP3 5206 21.853 -26.715 -11.969 1.00 0.00 WAT +ATOM 21928 H2 TIP3 5206 21.920 -27.949 -11.117 1.00 0.00 WAT +ATOM 21929 OH2 TIP3 5207 19.750 -26.517 -18.465 1.00 0.00 WAT +ATOM 21930 H1 TIP3 5207 18.795 -26.367 -18.362 1.00 0.00 WAT +ATOM 21931 H2 TIP3 5207 20.109 -25.645 -18.212 1.00 0.00 WAT +ATOM 21932 OH2 TIP3 5208 24.687 -31.747 -12.140 1.00 0.00 WAT +ATOM 21933 H1 TIP3 5208 24.423 -31.970 -11.230 1.00 0.00 WAT +ATOM 21934 H2 TIP3 5208 25.456 -32.324 -12.272 1.00 0.00 WAT +ATOM 21935 OH2 TIP3 5209 26.876 -30.417 -23.211 1.00 0.00 WAT +ATOM 21936 H1 TIP3 5209 27.305 -30.856 -22.453 1.00 0.00 WAT +ATOM 21937 H2 TIP3 5209 25.949 -30.552 -22.953 1.00 0.00 WAT +ATOM 21938 OH2 TIP3 5210 27.634 -27.104 -9.720 1.00 0.00 WAT +ATOM 21939 H1 TIP3 5210 26.891 -27.552 -10.165 1.00 0.00 WAT +ATOM 21940 H2 TIP3 5210 27.806 -26.349 -10.313 1.00 0.00 WAT +ATOM 21941 OH2 TIP3 5211 31.650 -26.132 -22.741 1.00 0.00 WAT +ATOM 21942 H1 TIP3 5211 32.361 -25.471 -22.806 1.00 0.00 WAT +ATOM 21943 H2 TIP3 5211 30.882 -25.539 -22.652 1.00 0.00 WAT +ATOM 21944 OH2 TIP3 5212 15.521 -39.609 -10.066 1.00 0.00 WAT +ATOM 21945 H1 TIP3 5212 14.610 -39.424 -10.384 1.00 0.00 WAT +ATOM 21946 H2 TIP3 5212 15.356 -40.476 -9.635 1.00 0.00 WAT +ATOM 21947 OH2 TIP3 5213 27.834 -31.843 -20.861 1.00 0.00 WAT +ATOM 21948 H1 TIP3 5213 27.575 -32.521 -20.215 1.00 0.00 WAT +ATOM 21949 H2 TIP3 5213 28.796 -31.801 -20.729 1.00 0.00 WAT +ATOM 21950 OH2 TIP3 5214 15.273 -28.038 -11.663 1.00 0.00 WAT +ATOM 21951 H1 TIP3 5214 15.571 -28.938 -11.460 1.00 0.00 WAT +ATOM 21952 H2 TIP3 5214 15.464 -27.595 -10.826 1.00 0.00 WAT +ATOM 21953 OH2 TIP3 5215 21.127 -29.367 -24.635 1.00 0.00 WAT +ATOM 21954 H1 TIP3 5215 21.409 -30.169 -25.112 1.00 0.00 WAT +ATOM 21955 H2 TIP3 5215 20.700 -29.750 -23.848 1.00 0.00 WAT +ATOM 21956 OH2 TIP3 5216 19.983 -29.847 -21.933 1.00 0.00 WAT +ATOM 21957 H1 TIP3 5216 20.464 -30.365 -21.273 1.00 0.00 WAT +ATOM 21958 H2 TIP3 5216 20.107 -28.931 -21.602 1.00 0.00 WAT +ATOM 21959 OH2 TIP3 5217 16.806 -32.409 -21.523 1.00 0.00 WAT +ATOM 21960 H1 TIP3 5217 16.071 -32.030 -20.998 1.00 0.00 WAT +ATOM 21961 H2 TIP3 5217 17.267 -31.598 -21.797 1.00 0.00 WAT +ATOM 21962 OH2 TIP3 5218 24.459 -40.104 -11.440 1.00 0.00 WAT +ATOM 21963 H1 TIP3 5218 25.031 -39.800 -10.721 1.00 0.00 WAT +ATOM 21964 H2 TIP3 5218 24.060 -40.915 -11.075 1.00 0.00 WAT +ATOM 21965 OH2 TIP3 5219 25.309 -40.607 -20.267 1.00 0.00 WAT +ATOM 21966 H1 TIP3 5219 25.236 -39.991 -21.011 1.00 0.00 WAT +ATOM 21967 H2 TIP3 5219 25.547 -40.007 -19.538 1.00 0.00 WAT +ATOM 21968 OH2 TIP3 5220 22.903 -28.248 -21.305 1.00 0.00 WAT +ATOM 21969 H1 TIP3 5220 22.104 -27.739 -21.088 1.00 0.00 WAT +ATOM 21970 H2 TIP3 5220 23.273 -27.730 -22.031 1.00 0.00 WAT +ATOM 21971 OH2 TIP3 5221 22.583 -38.538 -19.251 1.00 0.00 WAT +ATOM 21972 H1 TIP3 5221 23.280 -37.863 -19.112 1.00 0.00 WAT +ATOM 21973 H2 TIP3 5221 22.248 -38.671 -18.341 1.00 0.00 WAT +ATOM 21974 OH2 TIP3 5222 22.882 -37.620 -10.149 1.00 0.00 WAT +ATOM 21975 H1 TIP3 5222 22.932 -37.087 -9.336 1.00 0.00 WAT +ATOM 21976 H2 TIP3 5222 23.458 -38.362 -9.933 1.00 0.00 WAT +ATOM 21977 OH2 TIP3 5223 23.307 -41.731 -18.217 1.00 0.00 WAT +ATOM 21978 H1 TIP3 5223 22.909 -40.981 -17.740 1.00 0.00 WAT +ATOM 21979 H2 TIP3 5223 23.783 -41.276 -18.933 1.00 0.00 WAT +ATOM 21980 OH2 TIP3 5224 20.110 -27.150 -21.291 1.00 0.00 WAT +ATOM 21981 H1 TIP3 5224 20.053 -26.329 -21.825 1.00 0.00 WAT +ATOM 21982 H2 TIP3 5224 19.969 -26.811 -20.387 1.00 0.00 WAT +ATOM 21983 OH2 TIP3 5225 18.803 -40.504 -21.771 1.00 0.00 WAT +ATOM 21984 H1 TIP3 5225 18.818 -39.688 -21.240 1.00 0.00 WAT +ATOM 21985 H2 TIP3 5225 19.678 -40.871 -21.546 1.00 0.00 WAT +ATOM 21986 OH2 TIP3 5226 29.251 -39.627 -9.321 1.00 0.00 WAT +ATOM 21987 H1 TIP3 5226 28.285 -39.523 -9.415 1.00 0.00 WAT +ATOM 21988 H2 TIP3 5226 29.461 -39.876 -10.231 1.00 0.00 WAT +ATOM 21989 OH2 TIP3 5227 27.688 -35.753 -15.253 1.00 0.00 WAT +ATOM 21990 H1 TIP3 5227 26.846 -36.186 -15.483 1.00 0.00 WAT +ATOM 21991 H2 TIP3 5227 28.158 -36.459 -14.758 1.00 0.00 WAT +ATOM 21992 OH2 TIP3 5228 17.236 -29.603 -22.760 1.00 0.00 WAT +ATOM 21993 H1 TIP3 5228 17.964 -29.099 -22.357 1.00 0.00 WAT +ATOM 21994 H2 TIP3 5228 17.739 -30.102 -23.422 1.00 0.00 WAT +ATOM 21995 OH2 TIP3 5229 15.392 -37.440 -23.661 1.00 0.00 WAT +ATOM 21996 H1 TIP3 5229 15.502 -36.500 -23.418 1.00 0.00 WAT +ATOM 21997 H2 TIP3 5229 14.510 -37.437 -24.056 1.00 0.00 WAT +ATOM 21998 OH2 TIP3 5230 15.579 -42.418 -14.648 1.00 0.00 WAT +ATOM 21999 H1 TIP3 5230 15.916 -42.409 -15.551 1.00 0.00 WAT +ATOM 22000 H2 TIP3 5230 15.729 -43.351 -14.427 1.00 0.00 WAT +ATOM 22001 OH2 TIP3 5231 15.177 -28.918 -18.595 1.00 0.00 WAT +ATOM 22002 H1 TIP3 5231 14.427 -28.380 -18.307 1.00 0.00 WAT +ATOM 22003 H2 TIP3 5231 15.569 -28.361 -19.285 1.00 0.00 WAT +ATOM 22004 OH2 TIP3 5232 14.572 -25.936 -7.388 1.00 0.00 WAT +ATOM 22005 H1 TIP3 5232 15.128 -26.208 -6.632 1.00 0.00 WAT +ATOM 22006 H2 TIP3 5232 14.170 -26.785 -7.656 1.00 0.00 WAT +ATOM 22007 OH2 TIP3 5233 19.231 -26.955 -5.633 1.00 0.00 WAT +ATOM 22008 H1 TIP3 5233 19.980 -27.537 -5.433 1.00 0.00 WAT +ATOM 22009 H2 TIP3 5233 19.060 -27.184 -6.560 1.00 0.00 WAT +ATOM 22010 OH2 TIP3 5234 23.344 -27.656 -24.155 1.00 0.00 WAT +ATOM 22011 H1 TIP3 5234 22.573 -28.262 -24.214 1.00 0.00 WAT +ATOM 22012 H2 TIP3 5234 24.040 -28.238 -24.497 1.00 0.00 WAT +ATOM 22013 OH2 TIP3 5235 25.775 -28.667 -7.081 1.00 0.00 WAT +ATOM 22014 H1 TIP3 5235 25.381 -29.466 -6.688 1.00 0.00 WAT +ATOM 22015 H2 TIP3 5235 26.448 -28.418 -6.425 1.00 0.00 WAT +ATOM 22016 OH2 TIP3 5236 27.977 -27.771 -24.043 1.00 0.00 WAT +ATOM 22017 H1 TIP3 5236 28.110 -28.548 -23.473 1.00 0.00 WAT +ATOM 22018 H2 TIP3 5236 28.797 -27.768 -24.565 1.00 0.00 WAT +ATOM 22019 OH2 TIP3 5237 14.548 -32.359 -6.308 1.00 0.00 WAT +ATOM 22020 H1 TIP3 5237 14.642 -33.254 -6.672 1.00 0.00 WAT +ATOM 22021 H2 TIP3 5237 13.782 -32.035 -6.820 1.00 0.00 WAT +ATOM 22022 OH2 TIP3 5238 18.768 -31.932 -24.297 1.00 0.00 WAT +ATOM 22023 H1 TIP3 5238 18.924 -32.513 -23.534 1.00 0.00 WAT +ATOM 22024 H2 TIP3 5238 19.635 -31.970 -24.740 1.00 0.00 WAT +ATOM 22025 OH2 TIP3 5239 21.192 -32.164 -6.967 1.00 0.00 WAT +ATOM 22026 H1 TIP3 5239 20.879 -31.817 -7.820 1.00 0.00 WAT +ATOM 22027 H2 TIP3 5239 21.244 -33.128 -7.129 1.00 0.00 WAT +ATOM 22028 OH2 TIP3 5240 24.016 -30.593 -24.682 1.00 0.00 WAT +ATOM 22029 H1 TIP3 5240 23.959 -30.637 -23.711 1.00 0.00 WAT +ATOM 22030 H2 TIP3 5240 23.954 -31.548 -24.896 1.00 0.00 WAT +ATOM 22031 OH2 TIP3 5241 26.556 -32.533 -9.588 1.00 0.00 WAT +ATOM 22032 H1 TIP3 5241 27.346 -31.995 -9.757 1.00 0.00 WAT +ATOM 22033 H2 TIP3 5241 25.868 -31.846 -9.591 1.00 0.00 WAT +ATOM 22034 OH2 TIP3 5242 15.414 -35.233 -7.140 1.00 0.00 WAT +ATOM 22035 H1 TIP3 5242 16.159 -35.856 -7.119 1.00 0.00 WAT +ATOM 22036 H2 TIP3 5242 15.360 -34.986 -6.203 1.00 0.00 WAT +ATOM 22037 OH2 TIP3 5243 19.854 -33.850 -21.958 1.00 0.00 WAT +ATOM 22038 H1 TIP3 5243 19.240 -34.346 -21.397 1.00 0.00 WAT +ATOM 22039 H2 TIP3 5243 20.148 -34.541 -22.586 1.00 0.00 WAT +ATOM 22040 OH2 TIP3 5244 19.076 -36.087 -9.695 1.00 0.00 WAT +ATOM 22041 H1 TIP3 5244 18.521 -35.306 -9.509 1.00 0.00 WAT +ATOM 22042 H2 TIP3 5244 19.717 -35.721 -10.330 1.00 0.00 WAT +ATOM 22043 OH2 TIP3 5245 20.798 -35.842 -23.699 1.00 0.00 WAT +ATOM 22044 H1 TIP3 5245 20.756 -35.750 -24.668 1.00 0.00 WAT +ATOM 22045 H2 TIP3 5245 21.761 -35.866 -23.546 1.00 0.00 WAT +ATOM 22046 OH2 TIP3 5246 24.372 -33.384 -6.151 1.00 0.00 WAT +ATOM 22047 H1 TIP3 5246 25.277 -33.560 -6.445 1.00 0.00 WAT +ATOM 22048 H2 TIP3 5246 24.134 -34.220 -5.730 1.00 0.00 WAT +ATOM 22049 OH2 TIP3 5247 30.322 -33.322 -24.380 1.00 0.00 WAT +ATOM 22050 H1 TIP3 5247 30.208 -33.723 -25.254 1.00 0.00 WAT +ATOM 22051 H2 TIP3 5247 30.221 -32.371 -24.602 1.00 0.00 WAT +ATOM 22052 OH2 TIP3 5248 19.661 -38.786 -8.599 1.00 0.00 WAT +ATOM 22053 H1 TIP3 5248 19.738 -39.429 -9.320 1.00 0.00 WAT +ATOM 22054 H2 TIP3 5248 19.452 -37.966 -9.084 1.00 0.00 WAT +ATOM 22055 OH2 TIP3 5249 20.046 -40.386 -11.189 1.00 0.00 WAT +ATOM 22056 H1 TIP3 5249 20.566 -39.805 -11.782 1.00 0.00 WAT +ATOM 22057 H2 TIP3 5249 19.130 -40.255 -11.511 1.00 0.00 WAT +ATOM 22058 OH2 TIP3 5250 21.553 -34.882 -10.718 1.00 0.00 WAT +ATOM 22059 H1 TIP3 5250 22.396 -34.935 -11.191 1.00 0.00 WAT +ATOM 22060 H2 TIP3 5250 21.232 -34.004 -11.006 1.00 0.00 WAT +ATOM 22061 OH2 TIP3 5251 26.114 -36.935 -5.945 1.00 0.00 WAT +ATOM 22062 H1 TIP3 5251 26.330 -37.862 -5.759 1.00 0.00 WAT +ATOM 22063 H2 TIP3 5251 26.996 -36.531 -5.972 1.00 0.00 WAT +ATOM 22064 OH2 TIP3 5252 27.107 -34.154 -7.452 1.00 0.00 WAT +ATOM 22065 H1 TIP3 5252 26.747 -33.535 -8.122 1.00 0.00 WAT +ATOM 22066 H2 TIP3 5252 28.007 -34.279 -7.816 1.00 0.00 WAT +ATOM 22067 OH2 TIP3 5253 17.892 -36.970 -6.738 1.00 0.00 WAT +ATOM 22068 H1 TIP3 5253 17.360 -37.783 -6.760 1.00 0.00 WAT +ATOM 22069 H2 TIP3 5253 18.689 -37.246 -7.217 1.00 0.00 WAT +ATOM 22070 OH2 TIP3 5254 20.513 -42.781 -9.979 1.00 0.00 WAT +ATOM 22071 H1 TIP3 5254 20.659 -41.872 -10.314 1.00 0.00 WAT +ATOM 22072 H2 TIP3 5254 19.565 -42.850 -10.150 1.00 0.00 WAT +ATOM 22073 OH2 TIP3 5255 22.004 -38.452 -7.001 1.00 0.00 WAT +ATOM 22074 H1 TIP3 5255 21.684 -38.707 -6.118 1.00 0.00 WAT +ATOM 22075 H2 TIP3 5255 21.192 -38.627 -7.520 1.00 0.00 WAT +ATOM 22076 OH2 TIP3 5256 24.580 -39.463 -8.031 1.00 0.00 WAT +ATOM 22077 H1 TIP3 5256 23.698 -39.298 -7.648 1.00 0.00 WAT +ATOM 22078 H2 TIP3 5256 24.955 -40.094 -7.390 1.00 0.00 WAT +ATOM 22079 OH2 TIP3 5257 26.316 -41.369 -6.333 1.00 0.00 WAT +ATOM 22080 H1 TIP3 5257 26.176 -42.239 -5.942 1.00 0.00 WAT +ATOM 22081 H2 TIP3 5257 26.178 -40.771 -5.580 1.00 0.00 WAT +ATOM 22082 OH2 TIP3 5258 16.679 -39.604 -6.894 1.00 0.00 WAT +ATOM 22083 H1 TIP3 5258 16.395 -40.199 -7.609 1.00 0.00 WAT +ATOM 22084 H2 TIP3 5258 16.212 -39.971 -6.128 1.00 0.00 WAT +ATOM 22085 OH2 TIP3 5259 21.626 -41.465 -5.889 1.00 0.00 WAT +ATOM 22086 H1 TIP3 5259 21.387 -42.282 -6.364 1.00 0.00 WAT +ATOM 22087 H2 TIP3 5259 20.781 -40.983 -5.835 1.00 0.00 WAT +ATOM 22088 OH2 TIP3 5260 20.582 -24.622 -22.609 1.00 0.00 WAT +ATOM 22089 H1 TIP3 5260 21.529 -24.468 -22.482 1.00 0.00 WAT +ATOM 22090 H2 TIP3 5260 20.427 -24.132 -23.427 1.00 0.00 WAT +ATOM 22091 OH2 TIP3 5261 14.479 -30.196 -23.074 1.00 0.00 WAT +ATOM 22092 H1 TIP3 5261 15.431 -30.009 -22.926 1.00 0.00 WAT +ATOM 22093 H2 TIP3 5261 14.513 -30.988 -23.645 1.00 0.00 WAT +ATOM 22094 OH2 TIP3 5262 13.487 -25.018 -18.335 1.00 0.00 WAT +ATOM 22095 H1 TIP3 5262 12.761 -25.388 -18.873 1.00 0.00 WAT +ATOM 22096 H2 TIP3 5262 13.578 -25.696 -17.636 1.00 0.00 WAT +ATOM 22097 OH2 TIP3 5263 13.878 -27.000 -16.352 1.00 0.00 WAT +ATOM 22098 H1 TIP3 5263 13.575 -27.861 -16.016 1.00 0.00 WAT +ATOM 22099 H2 TIP3 5263 14.207 -26.624 -15.519 1.00 0.00 WAT +ATOM 22100 OH2 TIP3 5264 31.334 -26.216 -10.173 1.00 0.00 WAT +ATOM 22101 H1 TIP3 5264 31.062 -26.634 -11.010 1.00 0.00 WAT +ATOM 22102 H2 TIP3 5264 31.843 -26.928 -9.764 1.00 0.00 WAT +ATOM 22103 OH2 TIP3 5265 29.314 -30.874 -6.139 1.00 0.00 WAT +ATOM 22104 H1 TIP3 5265 28.417 -30.761 -5.780 1.00 0.00 WAT +ATOM 22105 H2 TIP3 5265 29.751 -30.042 -5.890 1.00 0.00 WAT +ATOM 22106 OH2 TIP3 5266 30.716 -31.949 -20.448 1.00 0.00 WAT +ATOM 22107 H1 TIP3 5266 31.618 -31.619 -20.275 1.00 0.00 WAT +ATOM 22108 H2 TIP3 5266 30.619 -32.574 -19.708 1.00 0.00 WAT +ATOM 22109 OH2 TIP3 5267 31.172 -34.012 -18.485 1.00 0.00 WAT +ATOM 22110 H1 TIP3 5267 30.496 -34.545 -18.023 1.00 0.00 WAT +ATOM 22111 H2 TIP3 5267 31.844 -33.853 -17.793 1.00 0.00 WAT +ATOM 22112 OH2 TIP3 5268 30.833 -31.518 -13.463 1.00 0.00 WAT +ATOM 22113 H1 TIP3 5268 31.494 -31.904 -14.053 1.00 0.00 WAT +ATOM 22114 H2 TIP3 5268 30.891 -30.578 -13.713 1.00 0.00 WAT +ATOM 22115 OH2 TIP3 5269 29.526 -28.783 -11.101 1.00 0.00 WAT +ATOM 22116 H1 TIP3 5269 28.915 -28.119 -10.743 1.00 0.00 WAT +ATOM 22117 H2 TIP3 5269 29.261 -28.834 -12.036 1.00 0.00 WAT +ATOM 22118 OH2 TIP3 5270 31.425 -34.551 -21.881 1.00 0.00 WAT +ATOM 22119 H1 TIP3 5270 30.916 -34.246 -22.656 1.00 0.00 WAT +ATOM 22120 H2 TIP3 5270 31.291 -33.807 -21.272 1.00 0.00 WAT +ATOM 22121 OH2 TIP3 5271 29.730 -37.013 -23.620 1.00 0.00 WAT +ATOM 22122 H1 TIP3 5271 29.962 -36.367 -24.303 1.00 0.00 WAT +ATOM 22123 H2 TIP3 5271 29.450 -37.783 -24.147 1.00 0.00 WAT +ATOM 22124 OH2 TIP3 5272 29.114 -35.858 -17.639 1.00 0.00 WAT +ATOM 22125 H1 TIP3 5272 29.003 -36.808 -17.787 1.00 0.00 WAT +ATOM 22126 H2 TIP3 5272 28.730 -35.738 -16.745 1.00 0.00 WAT +ATOM 22127 OH2 TIP3 5273 13.943 -33.657 -13.951 1.00 0.00 WAT +ATOM 22128 H1 TIP3 5273 14.197 -33.581 -14.885 1.00 0.00 WAT +ATOM 22129 H2 TIP3 5273 14.811 -33.852 -13.543 1.00 0.00 WAT +ATOM 22130 OH2 TIP3 5274 29.704 -33.948 -8.504 1.00 0.00 WAT +ATOM 22131 H1 TIP3 5274 30.465 -34.529 -8.313 1.00 0.00 WAT +ATOM 22132 H2 TIP3 5274 30.125 -33.101 -8.710 1.00 0.00 WAT +ATOM 22133 OH2 TIP3 5275 31.279 -35.837 -7.295 1.00 0.00 WAT +ATOM 22134 H1 TIP3 5275 30.475 -36.356 -7.515 1.00 0.00 WAT +ATOM 22135 H2 TIP3 5275 31.962 -36.532 -7.310 1.00 0.00 WAT +ATOM 22136 OH2 TIP3 5276 29.114 -39.693 -24.476 1.00 0.00 WAT +ATOM 22137 H1 TIP3 5276 29.679 -40.117 -23.811 1.00 0.00 WAT +ATOM 22138 H2 TIP3 5276 28.274 -40.166 -24.397 1.00 0.00 WAT +ATOM 22139 OH2 TIP3 5277 28.954 -38.355 -19.449 1.00 0.00 WAT +ATOM 22140 H1 TIP3 5277 29.222 -39.294 -19.428 1.00 0.00 WAT +ATOM 22141 H2 TIP3 5277 29.734 -37.952 -19.869 1.00 0.00 WAT +ATOM 22142 OH2 TIP3 5278 29.195 -37.764 -14.070 1.00 0.00 WAT +ATOM 22143 H1 TIP3 5278 30.169 -37.665 -14.066 1.00 0.00 WAT +ATOM 22144 H2 TIP3 5278 29.029 -37.747 -13.111 1.00 0.00 WAT +ATOM 22145 OH2 TIP3 5279 29.334 -37.062 -11.231 1.00 0.00 WAT +ATOM 22146 H1 TIP3 5279 28.499 -36.647 -10.943 1.00 0.00 WAT +ATOM 22147 H2 TIP3 5279 29.886 -36.279 -11.419 1.00 0.00 WAT +ATOM 22148 OH2 TIP3 5280 13.810 -38.356 -7.408 1.00 0.00 WAT +ATOM 22149 H1 TIP3 5280 14.727 -38.591 -7.602 1.00 0.00 WAT +ATOM 22150 H2 TIP3 5280 13.364 -39.216 -7.449 1.00 0.00 WAT +ATOM 22151 OH2 TIP3 5281 31.507 -42.778 -5.434 1.00 0.00 WAT +ATOM 22152 H1 TIP3 5281 32.029 -43.561 -5.639 1.00 0.00 WAT +ATOM 22153 H2 TIP3 5281 31.547 -42.193 -6.223 1.00 0.00 WAT +ATOM 22154 OH2 TIP3 5282 29.433 -41.204 -19.447 1.00 0.00 WAT +ATOM 22155 H1 TIP3 5282 29.392 -41.441 -18.508 1.00 0.00 WAT +ATOM 22156 H2 TIP3 5282 28.647 -41.662 -19.804 1.00 0.00 WAT +ATOM 22157 OH2 TIP3 5283 14.576 -39.911 -14.780 1.00 0.00 WAT +ATOM 22158 H1 TIP3 5283 14.890 -40.828 -14.620 1.00 0.00 WAT +ATOM 22159 H2 TIP3 5283 15.289 -39.392 -14.364 1.00 0.00 WAT +ATOM 22160 OH2 TIP3 5284 13.185 -37.281 -13.686 1.00 0.00 WAT +ATOM 22161 H1 TIP3 5284 13.734 -37.293 -14.483 1.00 0.00 WAT +ATOM 22162 H2 TIP3 5284 13.530 -36.502 -13.231 1.00 0.00 WAT +ATOM 22163 OH2 TIP3 5285 31.297 -41.109 -7.591 1.00 0.00 WAT +ATOM 22164 H1 TIP3 5285 30.443 -40.645 -7.506 1.00 0.00 WAT +ATOM 22165 H2 TIP3 5285 31.198 -41.463 -8.493 1.00 0.00 WAT +ATOM 22166 OH2 TIP3 5286 31.342 -40.646 -22.725 1.00 0.00 WAT +ATOM 22167 H1 TIP3 5286 31.577 -41.441 -23.240 1.00 0.00 WAT +ATOM 22168 H2 TIP3 5286 32.161 -40.127 -22.735 1.00 0.00 WAT +ATOM 22169 OH2 TIP3 5287 13.714 -41.050 -19.695 1.00 0.00 WAT +ATOM 22170 H1 TIP3 5287 12.757 -40.923 -19.830 1.00 0.00 WAT +ATOM 22171 H2 TIP3 5287 14.099 -40.329 -20.237 1.00 0.00 WAT +ATOM 22172 OH2 TIP3 5288 28.271 -25.621 -17.537 1.00 0.00 WAT +ATOM 22173 H1 TIP3 5288 28.788 -25.933 -18.297 1.00 0.00 WAT +ATOM 22174 H2 TIP3 5288 28.970 -25.360 -16.922 1.00 0.00 WAT +ATOM 22175 OH2 TIP3 5289 13.520 -41.280 -11.120 1.00 0.00 WAT +ATOM 22176 H1 TIP3 5289 13.484 -42.225 -10.875 1.00 0.00 WAT +ATOM 22177 H2 TIP3 5289 13.242 -41.307 -12.048 1.00 0.00 WAT +ATOM 22178 OH2 TIP3 5290 15.694 -29.013 -6.818 1.00 0.00 WAT +ATOM 22179 H1 TIP3 5290 14.962 -28.956 -7.450 1.00 0.00 WAT +ATOM 22180 H2 TIP3 5290 15.243 -28.948 -5.967 1.00 0.00 WAT +ATOM 22181 OH2 TIP3 5291 18.543 -27.990 -11.151 1.00 0.00 WAT +ATOM 22182 H1 TIP3 5291 18.223 -27.134 -11.486 1.00 0.00 WAT +ATOM 22183 H2 TIP3 5291 19.501 -27.882 -11.320 1.00 0.00 WAT +ATOM 22184 OH2 TIP3 5292 23.064 -26.706 -8.138 1.00 0.00 WAT +ATOM 22185 H1 TIP3 5292 23.195 -26.827 -7.184 1.00 0.00 WAT +ATOM 22186 H2 TIP3 5292 23.880 -26.225 -8.387 1.00 0.00 WAT +ATOM 22187 OH2 TIP3 5293 25.330 -25.223 -8.887 1.00 0.00 WAT +ATOM 22188 H1 TIP3 5293 26.041 -25.839 -9.121 1.00 0.00 WAT +ATOM 22189 H2 TIP3 5293 25.634 -24.910 -8.012 1.00 0.00 WAT +ATOM 22190 OH2 TIP3 5294 29.928 -42.773 -9.690 1.00 0.00 WAT +ATOM 22191 H1 TIP3 5294 29.442 -42.129 -10.233 1.00 0.00 WAT +ATOM 22192 H2 TIP3 5294 30.038 -43.483 -10.342 1.00 0.00 WAT +ATOM 22193 OH2 TIP3 5295 15.911 -25.061 -10.808 1.00 0.00 WAT +ATOM 22194 H1 TIP3 5295 15.319 -24.429 -11.254 1.00 0.00 WAT +ATOM 22195 H2 TIP3 5295 15.619 -24.954 -9.894 1.00 0.00 WAT +ATOM 22196 OH2 TIP3 5296 18.403 -25.266 -12.271 1.00 0.00 WAT +ATOM 22197 H1 TIP3 5296 17.558 -25.070 -11.821 1.00 0.00 WAT +ATOM 22198 H2 TIP3 5296 18.450 -24.554 -12.936 1.00 0.00 WAT +ATOM 22199 OH2 TIP3 5297 23.155 -25.253 -12.700 1.00 0.00 WAT +ATOM 22200 H1 TIP3 5297 22.779 -24.790 -13.469 1.00 0.00 WAT +ATOM 22201 H2 TIP3 5297 23.247 -24.518 -12.062 1.00 0.00 WAT +ATOM 22202 OH2 TIP3 5298 25.480 -26.568 -11.795 1.00 0.00 WAT +ATOM 22203 H1 TIP3 5298 24.648 -26.152 -12.090 1.00 0.00 WAT +ATOM 22204 H2 TIP3 5298 26.099 -25.822 -11.844 1.00 0.00 WAT +ATOM 22205 OH2 TIP3 5299 28.077 -24.982 -11.772 1.00 0.00 WAT +ATOM 22206 H1 TIP3 5299 27.986 -24.039 -11.999 1.00 0.00 WAT +ATOM 22207 H2 TIP3 5299 28.583 -25.285 -12.553 1.00 0.00 WAT +ATOM 22208 OH2 TIP3 5300 15.497 -26.230 -13.875 1.00 0.00 WAT +ATOM 22209 H1 TIP3 5300 15.465 -26.707 -13.017 1.00 0.00 WAT +ATOM 22210 H2 TIP3 5300 16.266 -26.666 -14.291 1.00 0.00 WAT +ATOM 22211 OH2 TIP3 5301 17.522 -27.485 -15.451 1.00 0.00 WAT +ATOM 22212 H1 TIP3 5301 17.357 -28.403 -15.150 1.00 0.00 WAT +ATOM 22213 H2 TIP3 5301 18.423 -27.321 -15.108 1.00 0.00 WAT +ATOM 22214 OH2 TIP3 5302 20.263 -27.022 -14.540 1.00 0.00 WAT +ATOM 22215 H1 TIP3 5302 20.456 -27.955 -14.737 1.00 0.00 WAT +ATOM 22216 H2 TIP3 5302 20.337 -27.027 -13.573 1.00 0.00 WAT +ATOM 22217 OH2 TIP3 5303 23.587 -41.124 -15.227 1.00 0.00 WAT +ATOM 22218 H1 TIP3 5303 22.942 -41.807 -14.957 1.00 0.00 WAT +ATOM 22219 H2 TIP3 5303 24.143 -41.611 -15.849 1.00 0.00 WAT +ATOM 22220 OH2 TIP3 5304 28.858 -43.337 -14.816 1.00 0.00 WAT +ATOM 22221 H1 TIP3 5304 29.401 -42.831 -15.434 1.00 0.00 WAT +ATOM 22222 H2 TIP3 5304 27.957 -43.087 -15.066 1.00 0.00 WAT +ATOM 22223 OH2 TIP3 5305 30.911 -42.268 -17.116 1.00 0.00 WAT +ATOM 22224 H1 TIP3 5305 31.571 -42.066 -17.785 1.00 0.00 WAT +ATOM 22225 H2 TIP3 5305 30.874 -41.391 -16.684 1.00 0.00 WAT +ATOM 22226 OH2 TIP3 5306 15.941 -42.849 -17.969 1.00 0.00 WAT +ATOM 22227 H1 TIP3 5306 15.008 -43.044 -18.116 1.00 0.00 WAT +ATOM 22228 H2 TIP3 5306 16.265 -43.643 -17.534 1.00 0.00 WAT +ATOM 22229 OH2 TIP3 5307 14.487 -42.913 -21.685 1.00 0.00 WAT +ATOM 22230 H1 TIP3 5307 14.964 -42.432 -22.389 1.00 0.00 WAT +ATOM 22231 H2 TIP3 5307 14.155 -42.172 -21.143 1.00 0.00 WAT +ATOM 22232 OH2 TIP3 5308 20.420 -42.279 -17.686 1.00 0.00 WAT +ATOM 22233 H1 TIP3 5308 21.371 -42.352 -17.844 1.00 0.00 WAT +ATOM 22234 H2 TIP3 5308 20.267 -42.918 -16.983 1.00 0.00 WAT +ATOM 22235 OH2 TIP3 5309 26.069 -42.662 -16.275 1.00 0.00 WAT +ATOM 22236 H1 TIP3 5309 26.241 -42.645 -17.222 1.00 0.00 WAT +ATOM 22237 H2 TIP3 5309 25.829 -43.584 -16.106 1.00 0.00 WAT +ATOM 22238 OH2 TIP3 5310 27.121 -42.743 -20.439 1.00 0.00 WAT +ATOM 22239 H1 TIP3 5310 26.371 -42.112 -20.518 1.00 0.00 WAT +ATOM 22240 H2 TIP3 5310 26.662 -43.589 -20.350 1.00 0.00 WAT +ATOM 22241 OH2 TIP3 5311 14.924 -26.969 -20.661 1.00 0.00 WAT +ATOM 22242 H1 TIP3 5311 14.280 -27.061 -21.380 1.00 0.00 WAT +ATOM 22243 H2 TIP3 5311 14.913 -26.010 -20.540 1.00 0.00 WAT +ATOM 22244 OH2 TIP3 5312 16.423 -41.281 -23.245 1.00 0.00 WAT +ATOM 22245 H1 TIP3 5312 17.136 -41.598 -23.827 1.00 0.00 WAT +ATOM 22246 H2 TIP3 5312 16.935 -40.738 -22.618 1.00 0.00 WAT +ATOM 22247 OH2 TIP3 5313 21.699 -40.600 -20.975 1.00 0.00 WAT +ATOM 22248 H1 TIP3 5313 21.725 -41.444 -20.480 1.00 0.00 WAT +ATOM 22249 H2 TIP3 5313 21.829 -39.921 -20.285 1.00 0.00 WAT +ATOM 22250 OH2 TIP3 5314 23.627 -25.119 -22.527 1.00 0.00 WAT +ATOM 22251 H1 TIP3 5314 24.601 -25.134 -22.553 1.00 0.00 WAT +ATOM 22252 H2 TIP3 5314 23.419 -25.786 -23.201 1.00 0.00 WAT +ATOM 22253 OH2 TIP3 5315 30.168 -26.121 -19.967 1.00 0.00 WAT +ATOM 22254 H1 TIP3 5315 29.886 -26.946 -20.409 1.00 0.00 WAT +ATOM 22255 H2 TIP3 5315 30.042 -25.468 -20.672 1.00 0.00 WAT +ATOM 22256 OH2 TIP3 5316 15.553 -41.785 -8.459 1.00 0.00 WAT +ATOM 22257 H1 TIP3 5316 15.096 -42.579 -8.146 1.00 0.00 WAT +ATOM 22258 H2 TIP3 5316 16.439 -42.158 -8.574 1.00 0.00 WAT +ATOM 22259 OH2 TIP3 5317 18.481 -42.788 -5.822 1.00 0.00 WAT +ATOM 22260 H1 TIP3 5317 19.351 -43.054 -6.193 1.00 0.00 WAT +ATOM 22261 H2 TIP3 5317 18.245 -43.568 -5.308 1.00 0.00 WAT +ATOM 22262 OH2 TIP3 5318 16.372 -26.030 -23.839 1.00 0.00 WAT +ATOM 22263 H1 TIP3 5318 16.144 -25.735 -22.945 1.00 0.00 WAT +ATOM 22264 H2 TIP3 5318 17.163 -26.572 -23.686 1.00 0.00 WAT +ATOM 22265 OH2 TIP3 5319 29.595 -27.371 -7.508 1.00 0.00 WAT +ATOM 22266 H1 TIP3 5319 28.909 -27.544 -8.178 1.00 0.00 WAT +ATOM 22267 H2 TIP3 5319 29.468 -26.412 -7.376 1.00 0.00 WAT +ATOM 22268 OH2 TIP3 5320 43.005 -34.374 -14.322 1.00 0.00 WAT +ATOM 22269 H1 TIP3 5320 42.565 -34.712 -13.525 1.00 0.00 WAT +ATOM 22270 H2 TIP3 5320 42.420 -34.716 -15.021 1.00 0.00 WAT +ATOM 22271 OH2 TIP3 5321 35.211 -34.668 -12.699 1.00 0.00 WAT +ATOM 22272 H1 TIP3 5321 35.141 -35.386 -12.044 1.00 0.00 WAT +ATOM 22273 H2 TIP3 5321 35.829 -34.070 -12.255 1.00 0.00 WAT +ATOM 22274 OH2 TIP3 5322 35.854 -29.970 -14.179 1.00 0.00 WAT +ATOM 22275 H1 TIP3 5322 35.552 -30.871 -14.412 1.00 0.00 WAT +ATOM 22276 H2 TIP3 5322 36.781 -30.144 -13.964 1.00 0.00 WAT +ATOM 22277 OH2 TIP3 5323 32.794 -36.651 -18.795 1.00 0.00 WAT +ATOM 22278 H1 TIP3 5323 32.462 -35.747 -18.656 1.00 0.00 WAT +ATOM 22279 H2 TIP3 5323 32.035 -37.061 -19.228 1.00 0.00 WAT +ATOM 22280 OH2 TIP3 5324 33.605 -34.153 -16.970 1.00 0.00 WAT +ATOM 22281 H1 TIP3 5324 33.756 -34.949 -16.426 1.00 0.00 WAT +ATOM 22282 H2 TIP3 5324 34.464 -34.032 -17.394 1.00 0.00 WAT +ATOM 22283 OH2 TIP3 5325 41.230 -31.794 -13.649 1.00 0.00 WAT +ATOM 22284 H1 TIP3 5325 41.607 -32.304 -14.379 1.00 0.00 WAT +ATOM 22285 H2 TIP3 5325 42.002 -31.332 -13.307 1.00 0.00 WAT +ATOM 22286 OH2 TIP3 5326 37.440 -39.413 -16.171 1.00 0.00 WAT +ATOM 22287 H1 TIP3 5326 37.598 -38.556 -16.612 1.00 0.00 WAT +ATOM 22288 H2 TIP3 5326 37.079 -39.927 -16.917 1.00 0.00 WAT +ATOM 22289 OH2 TIP3 5327 34.127 -36.631 -15.695 1.00 0.00 WAT +ATOM 22290 H1 TIP3 5327 34.724 -37.106 -15.095 1.00 0.00 WAT +ATOM 22291 H2 TIP3 5327 34.224 -37.143 -16.517 1.00 0.00 WAT +ATOM 22292 OH2 TIP3 5328 39.575 -35.299 -16.194 1.00 0.00 WAT +ATOM 22293 H1 TIP3 5328 40.268 -35.903 -15.857 1.00 0.00 WAT +ATOM 22294 H2 TIP3 5328 39.015 -35.923 -16.690 1.00 0.00 WAT +ATOM 22295 OH2 TIP3 5329 36.241 -40.550 -12.023 1.00 0.00 WAT +ATOM 22296 H1 TIP3 5329 35.884 -39.983 -12.727 1.00 0.00 WAT +ATOM 22297 H2 TIP3 5329 35.569 -40.389 -11.326 1.00 0.00 WAT +ATOM 22298 OH2 TIP3 5330 39.147 -32.754 -11.899 1.00 0.00 WAT +ATOM 22299 H1 TIP3 5330 38.411 -32.172 -11.610 1.00 0.00 WAT +ATOM 22300 H2 TIP3 5330 39.771 -32.112 -12.281 1.00 0.00 WAT +ATOM 22301 OH2 TIP3 5331 35.829 -38.550 -14.083 1.00 0.00 WAT +ATOM 22302 H1 TIP3 5331 36.446 -37.939 -13.629 1.00 0.00 WAT +ATOM 22303 H2 TIP3 5331 36.412 -38.897 -14.793 1.00 0.00 WAT +ATOM 22304 OH2 TIP3 5332 37.159 -30.843 -11.173 1.00 0.00 WAT +ATOM 22305 H1 TIP3 5332 37.130 -29.922 -11.493 1.00 0.00 WAT +ATOM 22306 H2 TIP3 5332 36.284 -30.884 -10.735 1.00 0.00 WAT +ATOM 22307 OH2 TIP3 5333 33.473 -31.148 -20.322 1.00 0.00 WAT +ATOM 22308 H1 TIP3 5333 33.264 -30.623 -21.112 1.00 0.00 WAT +ATOM 22309 H2 TIP3 5333 33.657 -30.453 -19.648 1.00 0.00 WAT +ATOM 22310 OH2 TIP3 5334 40.465 43.800 -14.798 1.00 0.00 WAT +ATOM 22311 H1 TIP3 5334 40.476 42.843 -14.645 1.00 0.00 WAT +ATOM 22312 H2 TIP3 5334 39.593 44.084 -14.462 1.00 0.00 WAT +ATOM 22313 OH2 TIP3 5335 42.757 -34.198 -20.216 1.00 0.00 WAT +ATOM 22314 H1 TIP3 5335 42.039 -33.541 -20.338 1.00 0.00 WAT +ATOM 22315 H2 TIP3 5335 43.298 -34.001 -20.984 1.00 0.00 WAT +ATOM 22316 OH2 TIP3 5336 42.863 -35.801 -23.087 1.00 0.00 WAT +ATOM 22317 H1 TIP3 5336 43.665 -35.848 -22.547 1.00 0.00 WAT +ATOM 22318 H2 TIP3 5336 42.918 -36.597 -23.627 1.00 0.00 WAT +ATOM 22319 OH2 TIP3 5337 37.595 -33.385 -17.305 1.00 0.00 WAT +ATOM 22320 H1 TIP3 5337 37.264 -33.800 -18.125 1.00 0.00 WAT +ATOM 22321 H2 TIP3 5337 38.231 -34.043 -16.983 1.00 0.00 WAT +ATOM 22322 OH2 TIP3 5338 38.953 -30.012 -14.541 1.00 0.00 WAT +ATOM 22323 H1 TIP3 5338 38.862 -30.367 -15.435 1.00 0.00 WAT +ATOM 22324 H2 TIP3 5338 39.757 -30.449 -14.218 1.00 0.00 WAT +ATOM 22325 OH2 TIP3 5339 38.196 -34.607 -13.808 1.00 0.00 WAT +ATOM 22326 H1 TIP3 5339 38.750 -34.516 -14.604 1.00 0.00 WAT +ATOM 22327 H2 TIP3 5339 38.516 -33.888 -13.230 1.00 0.00 WAT +ATOM 22328 OH2 TIP3 5340 39.028 -30.228 -8.999 1.00 0.00 WAT +ATOM 22329 H1 TIP3 5340 38.520 -29.565 -8.495 1.00 0.00 WAT +ATOM 22330 H2 TIP3 5340 38.376 -30.476 -9.682 1.00 0.00 WAT +ATOM 22331 OH2 TIP3 5341 35.944 -33.873 -9.860 1.00 0.00 WAT +ATOM 22332 H1 TIP3 5341 36.006 -33.277 -9.090 1.00 0.00 WAT +ATOM 22333 H2 TIP3 5341 34.978 -33.979 -9.932 1.00 0.00 WAT +ATOM 22334 OH2 TIP3 5342 42.488 -28.149 -18.084 1.00 0.00 WAT +ATOM 22335 H1 TIP3 5342 42.994 -27.619 -17.445 1.00 0.00 WAT +ATOM 22336 H2 TIP3 5342 41.989 -27.464 -18.550 1.00 0.00 WAT +ATOM 22337 OH2 TIP3 5343 37.123 -28.072 -8.156 1.00 0.00 WAT +ATOM 22338 H1 TIP3 5343 37.005 -28.016 -9.121 1.00 0.00 WAT +ATOM 22339 H2 TIP3 5343 36.233 -28.325 -7.845 1.00 0.00 WAT +ATOM 22340 OH2 TIP3 5344 36.498 -34.637 -19.763 1.00 0.00 WAT +ATOM 22341 H1 TIP3 5344 36.308 -33.860 -20.319 1.00 0.00 WAT +ATOM 22342 H2 TIP3 5344 35.811 -35.253 -20.050 1.00 0.00 WAT +ATOM 22343 OH2 TIP3 5345 32.595 -31.965 -11.041 1.00 0.00 WAT +ATOM 22344 H1 TIP3 5345 32.122 -31.923 -11.896 1.00 0.00 WAT +ATOM 22345 H2 TIP3 5345 32.667 -32.924 -10.890 1.00 0.00 WAT +ATOM 22346 OH2 TIP3 5346 32.727 -29.265 -14.157 1.00 0.00 WAT +ATOM 22347 H1 TIP3 5346 33.670 -29.243 -13.945 1.00 0.00 WAT +ATOM 22348 H2 TIP3 5346 32.381 -28.473 -13.706 1.00 0.00 WAT +ATOM 22349 OH2 TIP3 5347 41.715 -29.240 -9.498 1.00 0.00 WAT +ATOM 22350 H1 TIP3 5347 41.828 -28.359 -9.108 1.00 0.00 WAT +ATOM 22351 H2 TIP3 5347 40.796 -29.469 -9.263 1.00 0.00 WAT +ATOM 22352 OH2 TIP3 5348 41.853 -25.391 -19.589 1.00 0.00 WAT +ATOM 22353 H1 TIP3 5348 42.055 -25.332 -20.534 1.00 0.00 WAT +ATOM 22354 H2 TIP3 5348 42.067 -24.512 -19.249 1.00 0.00 WAT +ATOM 22355 OH2 TIP3 5349 35.749 -26.278 -17.952 1.00 0.00 WAT +ATOM 22356 H1 TIP3 5349 35.888 -26.689 -17.071 1.00 0.00 WAT +ATOM 22357 H2 TIP3 5349 34.862 -26.599 -18.161 1.00 0.00 WAT +ATOM 22358 OH2 TIP3 5350 34.768 -30.426 -9.800 1.00 0.00 WAT +ATOM 22359 H1 TIP3 5350 35.018 -30.904 -8.984 1.00 0.00 WAT +ATOM 22360 H2 TIP3 5350 34.008 -30.939 -10.135 1.00 0.00 WAT +ATOM 22361 OH2 TIP3 5351 37.932 -42.174 -13.905 1.00 0.00 WAT +ATOM 22362 H1 TIP3 5351 37.058 -42.327 -14.284 1.00 0.00 WAT +ATOM 22363 H2 TIP3 5351 37.761 -41.362 -13.405 1.00 0.00 WAT +ATOM 22364 OH2 TIP3 5352 42.252 -43.002 -10.256 1.00 0.00 WAT +ATOM 22365 H1 TIP3 5352 42.546 -43.236 -9.371 1.00 0.00 WAT +ATOM 22366 H2 TIP3 5352 41.302 -42.848 -10.121 1.00 0.00 WAT +ATOM 22367 OH2 TIP3 5353 42.272 -39.904 -23.075 1.00 0.00 WAT +ATOM 22368 H1 TIP3 5353 41.611 -40.019 -22.373 1.00 0.00 WAT +ATOM 22369 H2 TIP3 5353 41.888 -40.505 -23.744 1.00 0.00 WAT +ATOM 22370 OH2 TIP3 5354 37.807 -37.154 -12.610 1.00 0.00 WAT +ATOM 22371 H1 TIP3 5354 37.189 -37.050 -11.865 1.00 0.00 WAT +ATOM 22372 H2 TIP3 5354 37.850 -36.242 -12.973 1.00 0.00 WAT +ATOM 22373 OH2 TIP3 5355 37.761 -37.077 -17.724 1.00 0.00 WAT +ATOM 22374 H1 TIP3 5355 36.802 -37.133 -17.878 1.00 0.00 WAT +ATOM 22375 H2 TIP3 5355 38.099 -37.257 -18.625 1.00 0.00 WAT +ATOM 22376 OH2 TIP3 5356 42.816 -36.879 -19.640 1.00 0.00 WAT +ATOM 22377 H1 TIP3 5356 42.554 -35.937 -19.589 1.00 0.00 WAT +ATOM 22378 H2 TIP3 5356 43.660 -36.809 -20.104 1.00 0.00 WAT +ATOM 22379 OH2 TIP3 5357 42.484 -36.265 -7.463 1.00 0.00 WAT +ATOM 22380 H1 TIP3 5357 41.933 -37.061 -7.281 1.00 0.00 WAT +ATOM 22381 H2 TIP3 5357 43.364 -36.689 -7.438 1.00 0.00 WAT +ATOM 22382 OH2 TIP3 5358 35.226 -36.997 -10.804 1.00 0.00 WAT +ATOM 22383 H1 TIP3 5358 35.377 -36.664 -9.911 1.00 0.00 WAT +ATOM 22384 H2 TIP3 5358 34.793 -37.853 -10.613 1.00 0.00 WAT +ATOM 22385 OH2 TIP3 5359 38.612 -39.401 -24.200 1.00 0.00 WAT +ATOM 22386 H1 TIP3 5359 38.213 -39.783 -23.399 1.00 0.00 WAT +ATOM 22387 H2 TIP3 5359 37.846 -39.230 -24.764 1.00 0.00 WAT +ATOM 22388 OH2 TIP3 5360 31.954 -39.640 -17.142 1.00 0.00 WAT +ATOM 22389 H1 TIP3 5360 32.489 -39.531 -16.330 1.00 0.00 WAT +ATOM 22390 H2 TIP3 5360 32.619 -39.852 -17.799 1.00 0.00 WAT +ATOM 22391 OH2 TIP3 5361 33.561 -39.128 -21.405 1.00 0.00 WAT +ATOM 22392 H1 TIP3 5361 34.103 -38.630 -22.051 1.00 0.00 WAT +ATOM 22393 H2 TIP3 5361 32.855 -38.476 -21.236 1.00 0.00 WAT +ATOM 22394 OH2 TIP3 5362 43.344 -35.624 -11.617 1.00 0.00 WAT +ATOM 22395 H1 TIP3 5362 43.803 -36.397 -12.022 1.00 0.00 WAT +ATOM 22396 H2 TIP3 5362 42.774 -36.092 -10.988 1.00 0.00 WAT +ATOM 22397 OH2 TIP3 5363 40.489 -39.479 -16.570 1.00 0.00 WAT +ATOM 22398 H1 TIP3 5363 39.552 -39.652 -16.380 1.00 0.00 WAT +ATOM 22399 H2 TIP3 5363 40.925 -39.803 -15.765 1.00 0.00 WAT +ATOM 22400 OH2 TIP3 5364 35.050 -38.296 -18.015 1.00 0.00 WAT +ATOM 22401 H1 TIP3 5364 34.289 -37.952 -18.519 1.00 0.00 WAT +ATOM 22402 H2 TIP3 5364 35.354 -39.064 -18.534 1.00 0.00 WAT +ATOM 22403 OH2 TIP3 5365 38.702 -37.863 -20.330 1.00 0.00 WAT +ATOM 22404 H1 TIP3 5365 39.663 -37.774 -20.375 1.00 0.00 WAT +ATOM 22405 H2 TIP3 5365 38.391 -37.335 -21.089 1.00 0.00 WAT +ATOM 22406 OH2 TIP3 5366 37.239 -36.744 -22.596 1.00 0.00 WAT +ATOM 22407 H1 TIP3 5366 36.629 -36.937 -23.326 1.00 0.00 WAT +ATOM 22408 H2 TIP3 5366 38.045 -36.524 -23.093 1.00 0.00 WAT +ATOM 22409 OH2 TIP3 5367 35.830 -31.968 -7.614 1.00 0.00 WAT +ATOM 22410 H1 TIP3 5367 36.494 -31.865 -6.900 1.00 0.00 WAT +ATOM 22411 H2 TIP3 5367 35.015 -31.958 -7.074 1.00 0.00 WAT +ATOM 22412 OH2 TIP3 5368 41.625 -36.972 -15.162 1.00 0.00 WAT +ATOM 22413 H1 TIP3 5368 42.067 -37.646 -15.702 1.00 0.00 WAT +ATOM 22414 H2 TIP3 5368 41.483 -37.474 -14.336 1.00 0.00 WAT +ATOM 22415 OH2 TIP3 5369 36.665 -40.657 -18.686 1.00 0.00 WAT +ATOM 22416 H1 TIP3 5369 36.257 -41.528 -18.537 1.00 0.00 WAT +ATOM 22417 H2 TIP3 5369 37.526 -40.896 -19.058 1.00 0.00 WAT +ATOM 22418 OH2 TIP3 5370 40.551 -38.432 -12.710 1.00 0.00 WAT +ATOM 22419 H1 TIP3 5370 39.746 -37.885 -12.686 1.00 0.00 WAT +ATOM 22420 H2 TIP3 5370 41.008 -38.154 -11.895 1.00 0.00 WAT +ATOM 22421 OH2 TIP3 5371 40.741 -32.288 -20.689 1.00 0.00 WAT +ATOM 22422 H1 TIP3 5371 39.941 -32.694 -21.083 1.00 0.00 WAT +ATOM 22423 H2 TIP3 5371 40.473 -32.140 -19.754 1.00 0.00 WAT +ATOM 22424 OH2 TIP3 5372 42.212 -32.149 -9.539 1.00 0.00 WAT +ATOM 22425 H1 TIP3 5372 41.859 -32.401 -8.677 1.00 0.00 WAT +ATOM 22426 H2 TIP3 5372 42.101 -31.182 -9.540 1.00 0.00 WAT +ATOM 22427 OH2 TIP3 5373 35.786 -32.721 -14.915 1.00 0.00 WAT +ATOM 22428 H1 TIP3 5373 36.338 -32.818 -15.707 1.00 0.00 WAT +ATOM 22429 H2 TIP3 5373 35.876 -33.585 -14.484 1.00 0.00 WAT +ATOM 22430 OH2 TIP3 5374 42.870 -30.829 -21.740 1.00 0.00 WAT +ATOM 22431 H1 TIP3 5374 42.598 -29.928 -21.468 1.00 0.00 WAT +ATOM 22432 H2 TIP3 5374 42.105 -31.348 -21.418 1.00 0.00 WAT +ATOM 22433 OH2 TIP3 5375 33.068 -34.465 -9.682 1.00 0.00 WAT +ATOM 22434 H1 TIP3 5375 33.195 -34.880 -8.806 1.00 0.00 WAT +ATOM 22435 H2 TIP3 5375 32.422 -35.052 -10.107 1.00 0.00 WAT +ATOM 22436 OH2 TIP3 5376 40.019 -34.901 -7.652 1.00 0.00 WAT +ATOM 22437 H1 TIP3 5376 39.652 -35.248 -8.483 1.00 0.00 WAT +ATOM 22438 H2 TIP3 5376 40.950 -35.189 -7.719 1.00 0.00 WAT +ATOM 22439 OH2 TIP3 5377 38.160 -29.425 -17.690 1.00 0.00 WAT +ATOM 22440 H1 TIP3 5377 38.564 -28.547 -17.783 1.00 0.00 WAT +ATOM 22441 H2 TIP3 5377 37.230 -29.223 -17.858 1.00 0.00 WAT +ATOM 22442 OH2 TIP3 5378 34.162 -34.632 -23.045 1.00 0.00 WAT +ATOM 22443 H1 TIP3 5378 34.728 -33.936 -22.663 1.00 0.00 WAT +ATOM 22444 H2 TIP3 5378 33.282 -34.350 -22.731 1.00 0.00 WAT +ATOM 22445 OH2 TIP3 5379 39.956 -31.754 -18.026 1.00 0.00 WAT +ATOM 22446 H1 TIP3 5379 39.712 -30.820 -17.912 1.00 0.00 WAT +ATOM 22447 H2 TIP3 5379 39.180 -32.197 -17.649 1.00 0.00 WAT +ATOM 22448 OH2 TIP3 5380 40.207 -27.451 -11.669 1.00 0.00 WAT +ATOM 22449 H1 TIP3 5380 40.766 -26.720 -12.009 1.00 0.00 WAT +ATOM 22450 H2 TIP3 5380 40.848 -27.932 -11.130 1.00 0.00 WAT +ATOM 22451 OH2 TIP3 5381 38.597 -26.525 -18.466 1.00 0.00 WAT +ATOM 22452 H1 TIP3 5381 37.642 -26.377 -18.351 1.00 0.00 WAT +ATOM 22453 H2 TIP3 5381 38.963 -25.655 -18.215 1.00 0.00 WAT +ATOM 22454 OH2 TIP3 5382 34.377 -39.636 -10.117 1.00 0.00 WAT +ATOM 22455 H1 TIP3 5382 33.452 -39.442 -10.384 1.00 0.00 WAT +ATOM 22456 H2 TIP3 5382 34.227 -40.472 -9.622 1.00 0.00 WAT +ATOM 22457 OH2 TIP3 5383 34.197 -28.015 -11.624 1.00 0.00 WAT +ATOM 22458 H1 TIP3 5383 34.401 -28.944 -11.461 1.00 0.00 WAT +ATOM 22459 H2 TIP3 5383 34.371 -27.630 -10.759 1.00 0.00 WAT +ATOM 22460 OH2 TIP3 5384 39.934 -29.327 -24.629 1.00 0.00 WAT +ATOM 22461 H1 TIP3 5384 40.289 -30.089 -25.125 1.00 0.00 WAT +ATOM 22462 H2 TIP3 5384 39.573 -29.767 -23.841 1.00 0.00 WAT +ATOM 22463 OH2 TIP3 5385 38.868 -29.905 -21.877 1.00 0.00 WAT +ATOM 22464 H1 TIP3 5385 39.341 -30.373 -21.180 1.00 0.00 WAT +ATOM 22465 H2 TIP3 5385 38.973 -28.971 -21.599 1.00 0.00 WAT +ATOM 22466 OH2 TIP3 5386 35.671 -32.416 -21.510 1.00 0.00 WAT +ATOM 22467 H1 TIP3 5386 34.929 -32.028 -21.002 1.00 0.00 WAT +ATOM 22468 H2 TIP3 5386 36.126 -31.609 -21.803 1.00 0.00 WAT +ATOM 22469 OH2 TIP3 5387 43.301 -39.284 -10.912 1.00 0.00 WAT +ATOM 22470 H1 TIP3 5387 44.012 -39.941 -11.027 1.00 0.00 WAT +ATOM 22471 H2 TIP3 5387 42.729 -39.634 -11.608 1.00 0.00 WAT +ATOM 22472 OH2 TIP3 5388 41.671 -28.258 -21.365 1.00 0.00 WAT +ATOM 22473 H1 TIP3 5388 40.887 -27.735 -21.124 1.00 0.00 WAT +ATOM 22474 H2 TIP3 5388 42.113 -27.664 -21.979 1.00 0.00 WAT +ATOM 22475 OH2 TIP3 5389 41.407 -39.079 -19.119 1.00 0.00 WAT +ATOM 22476 H1 TIP3 5389 41.991 -38.289 -19.214 1.00 0.00 WAT +ATOM 22477 H2 TIP3 5389 41.094 -38.972 -18.195 1.00 0.00 WAT +ATOM 22478 OH2 TIP3 5390 41.530 -37.559 -10.027 1.00 0.00 WAT +ATOM 22479 H1 TIP3 5390 41.796 -37.105 -9.216 1.00 0.00 WAT +ATOM 22480 H2 TIP3 5390 42.216 -38.260 -10.105 1.00 0.00 WAT +ATOM 22481 OH2 TIP3 5391 42.046 -41.725 -17.994 1.00 0.00 WAT +ATOM 22482 H1 TIP3 5391 41.734 -40.836 -17.742 1.00 0.00 WAT +ATOM 22483 H2 TIP3 5391 42.718 -41.523 -18.670 1.00 0.00 WAT +ATOM 22484 OH2 TIP3 5392 38.933 -27.177 -21.300 1.00 0.00 WAT +ATOM 22485 H1 TIP3 5392 38.910 -26.356 -21.836 1.00 0.00 WAT +ATOM 22486 H2 TIP3 5392 38.797 -26.830 -20.397 1.00 0.00 WAT +ATOM 22487 OH2 TIP3 5393 37.663 -40.513 -21.768 1.00 0.00 WAT +ATOM 22488 H1 TIP3 5393 37.667 -39.684 -21.262 1.00 0.00 WAT +ATOM 22489 H2 TIP3 5393 38.566 -40.835 -21.571 1.00 0.00 WAT +ATOM 22490 OH2 TIP3 5394 36.106 -29.616 -22.754 1.00 0.00 WAT +ATOM 22491 H1 TIP3 5394 36.815 -29.090 -22.348 1.00 0.00 WAT +ATOM 22492 H2 TIP3 5394 36.622 -30.101 -23.416 1.00 0.00 WAT +ATOM 22493 OH2 TIP3 5395 34.215 -37.455 -23.612 1.00 0.00 WAT +ATOM 22494 H1 TIP3 5395 34.361 -36.510 -23.414 1.00 0.00 WAT +ATOM 22495 H2 TIP3 5395 33.374 -37.424 -24.086 1.00 0.00 WAT +ATOM 22496 OH2 TIP3 5396 34.554 -42.407 -14.633 1.00 0.00 WAT +ATOM 22497 H1 TIP3 5396 34.870 -42.493 -15.540 1.00 0.00 WAT +ATOM 22498 H2 TIP3 5396 34.507 -43.342 -14.380 1.00 0.00 WAT +ATOM 22499 OH2 TIP3 5397 34.037 -28.986 -18.679 1.00 0.00 WAT +ATOM 22500 H1 TIP3 5397 33.393 -28.447 -18.196 1.00 0.00 WAT +ATOM 22501 H2 TIP3 5397 34.433 -28.341 -19.286 1.00 0.00 WAT +ATOM 22502 OH2 TIP3 5398 33.509 -25.978 -7.441 1.00 0.00 WAT +ATOM 22503 H1 TIP3 5398 34.033 -26.277 -6.675 1.00 0.00 WAT +ATOM 22504 H2 TIP3 5398 33.073 -26.806 -7.725 1.00 0.00 WAT +ATOM 22505 OH2 TIP3 5399 38.184 -26.909 -5.643 1.00 0.00 WAT +ATOM 22506 H1 TIP3 5399 38.827 -27.607 -5.445 1.00 0.00 WAT +ATOM 22507 H2 TIP3 5399 37.901 -27.169 -6.535 1.00 0.00 WAT +ATOM 22508 OH2 TIP3 5400 42.307 -27.680 -24.320 1.00 0.00 WAT +ATOM 22509 H1 TIP3 5400 41.472 -28.192 -24.300 1.00 0.00 WAT +ATOM 22510 H2 TIP3 5400 42.935 -28.411 -24.454 1.00 0.00 WAT +ATOM 22511 OH2 TIP3 5401 33.414 -32.354 -6.311 1.00 0.00 WAT +ATOM 22512 H1 TIP3 5401 33.497 -33.255 -6.662 1.00 0.00 WAT +ATOM 22513 H2 TIP3 5401 32.637 -32.039 -6.813 1.00 0.00 WAT +ATOM 22514 OH2 TIP3 5402 37.623 -31.930 -24.297 1.00 0.00 WAT +ATOM 22515 H1 TIP3 5402 37.804 -32.513 -23.542 1.00 0.00 WAT +ATOM 22516 H2 TIP3 5402 38.481 -31.946 -24.758 1.00 0.00 WAT +ATOM 22517 OH2 TIP3 5403 40.120 -32.132 -7.012 1.00 0.00 WAT +ATOM 22518 H1 TIP3 5403 39.751 -31.815 -7.853 1.00 0.00 WAT +ATOM 22519 H2 TIP3 5403 40.149 -33.105 -7.134 1.00 0.00 WAT +ATOM 22520 OH2 TIP3 5404 42.607 -30.602 -24.745 1.00 0.00 WAT +ATOM 22521 H1 TIP3 5404 42.784 -30.490 -23.794 1.00 0.00 WAT +ATOM 22522 H2 TIP3 5404 42.437 -31.557 -24.793 1.00 0.00 WAT +ATOM 22523 OH2 TIP3 5405 34.277 -35.229 -7.143 1.00 0.00 WAT +ATOM 22524 H1 TIP3 5405 35.014 -35.862 -7.115 1.00 0.00 WAT +ATOM 22525 H2 TIP3 5405 34.214 -34.989 -6.205 1.00 0.00 WAT +ATOM 22526 OH2 TIP3 5406 38.711 -33.870 -21.971 1.00 0.00 WAT +ATOM 22527 H1 TIP3 5406 38.078 -34.366 -21.433 1.00 0.00 WAT +ATOM 22528 H2 TIP3 5406 39.022 -34.555 -22.594 1.00 0.00 WAT +ATOM 22529 OH2 TIP3 5407 37.982 -36.052 -9.674 1.00 0.00 WAT +ATOM 22530 H1 TIP3 5407 37.379 -35.309 -9.486 1.00 0.00 WAT +ATOM 22531 H2 TIP3 5407 38.518 -35.691 -10.397 1.00 0.00 WAT +ATOM 22532 OH2 TIP3 5408 39.784 -35.856 -23.673 1.00 0.00 WAT +ATOM 22533 H1 TIP3 5408 39.689 -35.779 -24.641 1.00 0.00 WAT +ATOM 22534 H2 TIP3 5408 40.740 -35.724 -23.567 1.00 0.00 WAT +ATOM 22535 OH2 TIP3 5409 42.841 -33.594 -6.007 1.00 0.00 WAT +ATOM 22536 H1 TIP3 5409 43.583 -33.905 -6.533 1.00 0.00 WAT +ATOM 22537 H2 TIP3 5409 42.668 -34.386 -5.468 1.00 0.00 WAT +ATOM 22538 OH2 TIP3 5410 38.545 -38.779 -8.560 1.00 0.00 WAT +ATOM 22539 H1 TIP3 5410 38.621 -39.428 -9.274 1.00 0.00 WAT +ATOM 22540 H2 TIP3 5410 38.376 -37.956 -9.054 1.00 0.00 WAT +ATOM 22541 OH2 TIP3 5411 38.917 -40.372 -11.217 1.00 0.00 WAT +ATOM 22542 H1 TIP3 5411 39.393 -39.772 -11.822 1.00 0.00 WAT +ATOM 22543 H2 TIP3 5411 37.984 -40.262 -11.496 1.00 0.00 WAT +ATOM 22544 OH2 TIP3 5412 40.626 -34.891 -10.778 1.00 0.00 WAT +ATOM 22545 H1 TIP3 5412 41.383 -34.907 -11.372 1.00 0.00 WAT +ATOM 22546 H2 TIP3 5412 40.244 -34.014 -10.949 1.00 0.00 WAT +ATOM 22547 OH2 TIP3 5413 36.751 -36.972 -6.767 1.00 0.00 WAT +ATOM 22548 H1 TIP3 5413 36.209 -37.779 -6.759 1.00 0.00 WAT +ATOM 22549 H2 TIP3 5413 37.552 -37.282 -7.217 1.00 0.00 WAT +ATOM 22550 OH2 TIP3 5414 39.410 -42.746 -9.976 1.00 0.00 WAT +ATOM 22551 H1 TIP3 5414 39.435 -41.832 -10.335 1.00 0.00 WAT +ATOM 22552 H2 TIP3 5414 38.499 -42.984 -10.189 1.00 0.00 WAT +ATOM 22553 OH2 TIP3 5415 41.035 -38.517 -7.035 1.00 0.00 WAT +ATOM 22554 H1 TIP3 5415 40.753 -38.891 -6.184 1.00 0.00 WAT +ATOM 22555 H2 TIP3 5415 40.264 -38.754 -7.585 1.00 0.00 WAT +ATOM 22556 OH2 TIP3 5416 35.483 -39.579 -6.912 1.00 0.00 WAT +ATOM 22557 H1 TIP3 5416 35.249 -40.229 -7.597 1.00 0.00 WAT +ATOM 22558 H2 TIP3 5416 35.102 -39.983 -6.116 1.00 0.00 WAT +ATOM 22559 OH2 TIP3 5417 40.539 -41.444 -5.889 1.00 0.00 WAT +ATOM 22560 H1 TIP3 5417 40.319 -42.297 -6.314 1.00 0.00 WAT +ATOM 22561 H2 TIP3 5417 39.673 -41.010 -5.832 1.00 0.00 WAT +ATOM 22562 OH2 TIP3 5418 39.565 -24.650 -22.604 1.00 0.00 WAT +ATOM 22563 H1 TIP3 5418 40.519 -24.548 -22.499 1.00 0.00 WAT +ATOM 22564 H2 TIP3 5418 39.421 -24.123 -23.404 1.00 0.00 WAT +ATOM 22565 OH2 TIP3 5419 33.336 -30.195 -23.082 1.00 0.00 WAT +ATOM 22566 H1 TIP3 5419 34.287 -30.009 -22.927 1.00 0.00 WAT +ATOM 22567 H2 TIP3 5419 33.371 -30.990 -23.650 1.00 0.00 WAT +ATOM 22568 OH2 TIP3 5420 32.368 -25.028 -18.321 1.00 0.00 WAT +ATOM 22569 H1 TIP3 5420 31.611 -25.380 -18.829 1.00 0.00 WAT +ATOM 22570 H2 TIP3 5420 32.455 -25.699 -17.614 1.00 0.00 WAT +ATOM 22571 OH2 TIP3 5421 32.860 -27.045 -16.410 1.00 0.00 WAT +ATOM 22572 H1 TIP3 5421 32.430 -27.850 -16.077 1.00 0.00 WAT +ATOM 22573 H2 TIP3 5421 32.796 -26.524 -15.588 1.00 0.00 WAT +ATOM 22574 OH2 TIP3 5422 32.797 -33.709 -13.948 1.00 0.00 WAT +ATOM 22575 H1 TIP3 5422 33.040 -33.550 -14.873 1.00 0.00 WAT +ATOM 22576 H2 TIP3 5422 33.677 -33.849 -13.548 1.00 0.00 WAT +ATOM 22577 OH2 TIP3 5423 32.663 -38.359 -7.439 1.00 0.00 WAT +ATOM 22578 H1 TIP3 5423 33.594 -38.600 -7.553 1.00 0.00 WAT +ATOM 22579 H2 TIP3 5423 32.227 -39.225 -7.439 1.00 0.00 WAT +ATOM 22580 OH2 TIP3 5424 33.447 -39.952 -14.784 1.00 0.00 WAT +ATOM 22581 H1 TIP3 5424 33.810 -40.851 -14.620 1.00 0.00 WAT +ATOM 22582 H2 TIP3 5424 34.135 -39.399 -14.372 1.00 0.00 WAT +ATOM 22583 OH2 TIP3 5425 32.045 -37.303 -13.736 1.00 0.00 WAT +ATOM 22584 H1 TIP3 5425 32.633 -37.239 -14.503 1.00 0.00 WAT +ATOM 22585 H2 TIP3 5425 32.347 -36.553 -13.204 1.00 0.00 WAT +ATOM 22586 OH2 TIP3 5426 32.393 -41.277 -19.723 1.00 0.00 WAT +ATOM 22587 H1 TIP3 5426 31.476 -40.957 -19.833 1.00 0.00 WAT +ATOM 22588 H2 TIP3 5426 32.902 -40.558 -20.150 1.00 0.00 WAT +ATOM 22589 OH2 TIP3 5427 32.257 -41.265 -11.109 1.00 0.00 WAT +ATOM 22590 H1 TIP3 5427 32.401 -42.197 -10.848 1.00 0.00 WAT +ATOM 22591 H2 TIP3 5427 32.122 -41.363 -12.060 1.00 0.00 WAT +ATOM 22592 OH2 TIP3 5428 34.567 -28.998 -6.795 1.00 0.00 WAT +ATOM 22593 H1 TIP3 5428 33.845 -28.982 -7.443 1.00 0.00 WAT +ATOM 22594 H2 TIP3 5428 34.084 -28.988 -5.959 1.00 0.00 WAT +ATOM 22595 OH2 TIP3 5429 37.420 -27.988 -11.131 1.00 0.00 WAT +ATOM 22596 H1 TIP3 5429 37.054 -27.157 -11.483 1.00 0.00 WAT +ATOM 22597 H2 TIP3 5429 38.368 -27.846 -11.319 1.00 0.00 WAT +ATOM 22598 OH2 TIP3 5430 42.204 -26.368 -8.248 1.00 0.00 WAT +ATOM 22599 H1 TIP3 5430 42.046 -26.716 -7.356 1.00 0.00 WAT +ATOM 22600 H2 TIP3 5430 43.148 -26.137 -8.176 1.00 0.00 WAT +ATOM 22601 OH2 TIP3 5431 34.842 -25.000 -10.749 1.00 0.00 WAT +ATOM 22602 H1 TIP3 5431 34.224 -24.511 -11.320 1.00 0.00 WAT +ATOM 22603 H2 TIP3 5431 34.335 -25.032 -9.931 1.00 0.00 WAT +ATOM 22604 OH2 TIP3 5432 37.323 -25.227 -12.210 1.00 0.00 WAT +ATOM 22605 H1 TIP3 5432 36.442 -25.096 -11.801 1.00 0.00 WAT +ATOM 22606 H2 TIP3 5432 37.293 -24.581 -12.936 1.00 0.00 WAT +ATOM 22607 OH2 TIP3 5433 41.979 -25.491 -12.694 1.00 0.00 WAT +ATOM 22608 H1 TIP3 5433 41.772 -25.000 -13.506 1.00 0.00 WAT +ATOM 22609 H2 TIP3 5433 42.565 -24.884 -12.231 1.00 0.00 WAT +ATOM 22610 OH2 TIP3 5434 34.478 -26.086 -13.763 1.00 0.00 WAT +ATOM 22611 H1 TIP3 5434 34.199 -26.634 -13.001 1.00 0.00 WAT +ATOM 22612 H2 TIP3 5434 35.044 -26.700 -14.255 1.00 0.00 WAT +ATOM 22613 OH2 TIP3 5435 36.355 -27.487 -15.467 1.00 0.00 WAT +ATOM 22614 H1 TIP3 5435 36.169 -28.388 -15.128 1.00 0.00 WAT +ATOM 22615 H2 TIP3 5435 37.223 -27.292 -15.069 1.00 0.00 WAT +ATOM 22616 OH2 TIP3 5436 39.145 -26.975 -14.545 1.00 0.00 WAT +ATOM 22617 H1 TIP3 5436 39.310 -27.908 -14.757 1.00 0.00 WAT +ATOM 22618 H2 TIP3 5436 39.183 -26.993 -13.576 1.00 0.00 WAT +ATOM 22619 OH2 TIP3 5437 42.468 -41.332 -15.195 1.00 0.00 WAT +ATOM 22620 H1 TIP3 5437 41.789 -42.006 -15.000 1.00 0.00 WAT +ATOM 22621 H2 TIP3 5437 42.916 -41.732 -15.949 1.00 0.00 WAT +ATOM 22622 OH2 TIP3 5438 34.828 -42.826 -17.940 1.00 0.00 WAT +ATOM 22623 H1 TIP3 5438 33.921 -43.135 -17.982 1.00 0.00 WAT +ATOM 22624 H2 TIP3 5438 35.299 -43.568 -17.544 1.00 0.00 WAT +ATOM 22625 OH2 TIP3 5439 33.326 -43.002 -21.696 1.00 0.00 WAT +ATOM 22626 H1 TIP3 5439 33.794 -42.480 -22.374 1.00 0.00 WAT +ATOM 22627 H2 TIP3 5439 32.899 -42.299 -21.169 1.00 0.00 WAT +ATOM 22628 OH2 TIP3 5440 39.350 -42.382 -17.836 1.00 0.00 WAT +ATOM 22629 H1 TIP3 5440 40.316 -42.258 -17.775 1.00 0.00 WAT +ATOM 22630 H2 TIP3 5440 39.166 -42.920 -17.057 1.00 0.00 WAT +ATOM 22631 OH2 TIP3 5441 33.839 -26.945 -20.709 1.00 0.00 WAT +ATOM 22632 H1 TIP3 5441 33.137 -27.063 -21.365 1.00 0.00 WAT +ATOM 22633 H2 TIP3 5441 33.743 -26.007 -20.504 1.00 0.00 WAT +ATOM 22634 OH2 TIP3 5442 35.273 -41.293 -23.237 1.00 0.00 WAT +ATOM 22635 H1 TIP3 5442 35.975 -41.612 -23.833 1.00 0.00 WAT +ATOM 22636 H2 TIP3 5442 35.799 -40.744 -22.626 1.00 0.00 WAT +ATOM 22637 OH2 TIP3 5443 40.441 -40.691 -21.013 1.00 0.00 WAT +ATOM 22638 H1 TIP3 5443 40.624 -41.551 -20.594 1.00 0.00 WAT +ATOM 22639 H2 TIP3 5443 40.646 -40.059 -20.286 1.00 0.00 WAT +ATOM 22640 OH2 TIP3 5444 42.636 -25.335 -22.532 1.00 0.00 WAT +ATOM 22641 H1 TIP3 5444 43.509 -24.945 -22.719 1.00 0.00 WAT +ATOM 22642 H2 TIP3 5444 42.489 -25.903 -23.309 1.00 0.00 WAT +ATOM 22643 OH2 TIP3 5445 34.407 -41.774 -8.465 1.00 0.00 WAT +ATOM 22644 H1 TIP3 5445 33.929 -42.554 -8.142 1.00 0.00 WAT +ATOM 22645 H2 TIP3 5445 35.280 -42.183 -8.573 1.00 0.00 WAT +ATOM 22646 OH2 TIP3 5446 37.348 -42.815 -5.803 1.00 0.00 WAT +ATOM 22647 H1 TIP3 5446 38.217 -43.075 -6.182 1.00 0.00 WAT +ATOM 22648 H2 TIP3 5446 37.109 -43.615 -5.317 1.00 0.00 WAT +ATOM 22649 OH2 TIP3 5447 35.244 -25.991 -23.837 1.00 0.00 WAT +ATOM 22650 H1 TIP3 5447 34.994 -25.785 -22.925 1.00 0.00 WAT +ATOM 22651 H2 TIP3 5447 36.004 -26.585 -23.712 1.00 0.00 WAT +ATOM 22652 OH2 TIP3 5448 -31.573 -14.844 -17.494 1.00 0.00 WAT +ATOM 22653 H1 TIP3 5448 -31.585 -13.885 -17.339 1.00 0.00 WAT +ATOM 22654 H2 TIP3 5448 -32.311 -14.937 -18.118 1.00 0.00 WAT +ATOM 22655 OH2 TIP3 5449 -32.613 -15.365 -14.337 1.00 0.00 WAT +ATOM 22656 H1 TIP3 5449 -32.708 -15.916 -13.546 1.00 0.00 WAT +ATOM 22657 H2 TIP3 5449 -32.951 -15.959 -15.025 1.00 0.00 WAT +ATOM 22658 OH2 TIP3 5450 -40.272 -15.797 -12.715 1.00 0.00 WAT +ATOM 22659 H1 TIP3 5450 -40.321 -16.519 -12.062 1.00 0.00 WAT +ATOM 22660 H2 TIP3 5450 -39.597 -15.227 -12.323 1.00 0.00 WAT +ATOM 22661 OH2 TIP3 5451 -29.081 -12.600 -15.989 1.00 0.00 WAT +ATOM 22662 H1 TIP3 5451 -29.386 -13.331 -15.439 1.00 0.00 WAT +ATOM 22663 H2 TIP3 5451 -28.762 -11.978 -15.318 1.00 0.00 WAT +ATOM 22664 OH2 TIP3 5452 -39.589 -11.186 -14.137 1.00 0.00 WAT +ATOM 22665 H1 TIP3 5452 -39.874 -12.075 -14.434 1.00 0.00 WAT +ATOM 22666 H2 TIP3 5452 -38.639 -11.336 -14.027 1.00 0.00 WAT +ATOM 22667 OH2 TIP3 5453 -41.671 -16.756 -19.249 1.00 0.00 WAT +ATOM 22668 H1 TIP3 5453 -42.195 -16.057 -18.825 1.00 0.00 WAT +ATOM 22669 H2 TIP3 5453 -42.259 -17.508 -19.078 1.00 0.00 WAT +ATOM 22670 OH2 TIP3 5454 -42.118 -15.229 -16.834 1.00 0.00 WAT +ATOM 22671 H1 TIP3 5454 -41.859 -16.035 -16.355 1.00 0.00 WAT +ATOM 22672 H2 TIP3 5454 -41.312 -14.990 -17.305 1.00 0.00 WAT +ATOM 22673 OH2 TIP3 5455 -32.003 -7.264 -15.468 1.00 0.00 WAT +ATOM 22674 H1 TIP3 5455 -31.420 -7.979 -15.786 1.00 0.00 WAT +ATOM 22675 H2 TIP3 5455 -32.289 -7.601 -14.609 1.00 0.00 WAT +ATOM 22676 OH2 TIP3 5456 -34.241 -12.880 -13.756 1.00 0.00 WAT +ATOM 22677 H1 TIP3 5456 -33.923 -13.556 -14.378 1.00 0.00 WAT +ATOM 22678 H2 TIP3 5456 -33.416 -12.703 -13.277 1.00 0.00 WAT +ATOM 22679 OH2 TIP3 5457 -25.784 -21.090 -13.294 1.00 0.00 WAT +ATOM 22680 H1 TIP3 5457 -25.424 -20.670 -12.494 1.00 0.00 WAT +ATOM 22681 H2 TIP3 5457 -25.044 -20.934 -13.910 1.00 0.00 WAT +ATOM 22682 OH2 TIP3 5458 -30.917 -18.480 -13.272 1.00 0.00 WAT +ATOM 22683 H1 TIP3 5458 -30.822 -19.448 -13.214 1.00 0.00 WAT +ATOM 22684 H2 TIP3 5458 -30.931 -18.340 -14.230 1.00 0.00 WAT +ATOM 22685 OH2 TIP3 5459 -37.985 -20.519 -16.197 1.00 0.00 WAT +ATOM 22686 H1 TIP3 5459 -37.856 -19.662 -16.651 1.00 0.00 WAT +ATOM 22687 H2 TIP3 5459 -38.346 -21.047 -16.937 1.00 0.00 WAT +ATOM 22688 OH2 TIP3 5460 -30.055 -20.206 -17.871 1.00 0.00 WAT +ATOM 22689 H1 TIP3 5460 -29.511 -20.826 -17.346 1.00 0.00 WAT +ATOM 22690 H2 TIP3 5460 -29.624 -20.199 -18.745 1.00 0.00 WAT +ATOM 22691 OH2 TIP3 5461 -41.383 -17.752 -15.676 1.00 0.00 WAT +ATOM 22692 H1 TIP3 5461 -40.802 -18.186 -15.031 1.00 0.00 WAT +ATOM 22693 H2 TIP3 5461 -41.213 -18.285 -16.471 1.00 0.00 WAT +ATOM 22694 OH2 TIP3 5462 -35.902 -16.421 -16.205 1.00 0.00 WAT +ATOM 22695 H1 TIP3 5462 -35.194 -16.980 -15.839 1.00 0.00 WAT +ATOM 22696 H2 TIP3 5462 -36.417 -17.069 -16.719 1.00 0.00 WAT +ATOM 22697 OH2 TIP3 5463 -24.739 -19.883 -10.708 1.00 0.00 WAT +ATOM 22698 H1 TIP3 5463 -25.436 -19.226 -10.865 1.00 0.00 WAT +ATOM 22699 H2 TIP3 5463 -24.875 -20.113 -9.782 1.00 0.00 WAT +ATOM 22700 OH2 TIP3 5464 -39.186 -21.699 -12.020 1.00 0.00 WAT +ATOM 22701 H1 TIP3 5464 -39.630 -21.257 -12.758 1.00 0.00 WAT +ATOM 22702 H2 TIP3 5464 -39.814 -21.524 -11.294 1.00 0.00 WAT +ATOM 22703 OH2 TIP3 5465 -31.684 -11.959 -18.640 1.00 0.00 WAT +ATOM 22704 H1 TIP3 5465 -32.010 -12.185 -19.517 1.00 0.00 WAT +ATOM 22705 H2 TIP3 5465 -32.149 -11.123 -18.455 1.00 0.00 WAT +ATOM 22706 OH2 TIP3 5466 -36.242 -13.840 -11.901 1.00 0.00 WAT +ATOM 22707 H1 TIP3 5466 -36.976 -13.244 -11.641 1.00 0.00 WAT +ATOM 22708 H2 TIP3 5466 -35.637 -13.233 -12.366 1.00 0.00 WAT +ATOM 22709 OH2 TIP3 5467 -28.277 -20.967 -15.796 1.00 0.00 WAT +ATOM 22710 H1 TIP3 5467 -28.628 -21.709 -15.280 1.00 0.00 WAT +ATOM 22711 H2 TIP3 5467 -27.642 -20.598 -15.162 1.00 0.00 WAT +ATOM 22712 OH2 TIP3 5468 -39.569 -19.663 -14.108 1.00 0.00 WAT +ATOM 22713 H1 TIP3 5468 -38.929 -19.075 -13.658 1.00 0.00 WAT +ATOM 22714 H2 TIP3 5468 -38.999 -20.027 -14.821 1.00 0.00 WAT +ATOM 22715 OH2 TIP3 5469 -38.258 -11.973 -11.133 1.00 0.00 WAT +ATOM 22716 H1 TIP3 5469 -38.288 -11.081 -11.524 1.00 0.00 WAT +ATOM 22717 H2 TIP3 5469 -39.162 -12.025 -10.773 1.00 0.00 WAT +ATOM 22718 OH2 TIP3 5470 -41.856 -12.411 -20.224 1.00 0.00 WAT +ATOM 22719 H1 TIP3 5470 -42.608 -12.193 -20.814 1.00 0.00 WAT +ATOM 22720 H2 TIP3 5470 -41.880 -11.668 -19.594 1.00 0.00 WAT +ATOM 22721 OH2 TIP3 5471 -28.499 -10.779 -13.553 1.00 0.00 WAT +ATOM 22722 H1 TIP3 5471 -29.453 -10.576 -13.569 1.00 0.00 WAT +ATOM 22723 H2 TIP3 5471 -28.114 -9.917 -13.790 1.00 0.00 WAT +ATOM 22724 OH2 TIP3 5472 -28.203 -21.949 -11.991 1.00 0.00 WAT +ATOM 22725 H1 TIP3 5472 -28.982 -21.579 -12.443 1.00 0.00 WAT +ATOM 22726 H2 TIP3 5472 -27.485 -21.751 -12.621 1.00 0.00 WAT +ATOM 22727 OH2 TIP3 5473 -35.058 -24.222 -14.958 1.00 0.00 WAT +ATOM 22728 H1 TIP3 5473 -35.261 -25.175 -15.000 1.00 0.00 WAT +ATOM 22729 H2 TIP3 5473 -35.882 -23.862 -14.567 1.00 0.00 WAT +ATOM 22730 OH2 TIP3 5474 -30.182 -8.893 -16.918 1.00 0.00 WAT +ATOM 22731 H1 TIP3 5474 -29.708 -9.676 -17.258 1.00 0.00 WAT +ATOM 22732 H2 TIP3 5474 -29.513 -8.193 -17.064 1.00 0.00 WAT +ATOM 22733 OH2 TIP3 5475 -28.723 -11.050 -18.370 1.00 0.00 WAT +ATOM 22734 H1 TIP3 5475 -29.304 -11.479 -19.013 1.00 0.00 WAT +ATOM 22735 H2 TIP3 5475 -28.804 -11.653 -17.607 1.00 0.00 WAT +ATOM 22736 OH2 TIP3 5476 -32.830 -15.303 -20.174 1.00 0.00 WAT +ATOM 22737 H1 TIP3 5476 -33.501 -14.691 -20.534 1.00 0.00 WAT +ATOM 22738 H2 TIP3 5476 -32.177 -15.332 -20.898 1.00 0.00 WAT +ATOM 22739 OH2 TIP3 5477 -32.612 -16.971 -23.135 1.00 0.00 WAT +ATOM 22740 H1 TIP3 5477 -31.909 -16.869 -22.465 1.00 0.00 WAT +ATOM 22741 H2 TIP3 5477 -32.282 -17.743 -23.613 1.00 0.00 WAT +ATOM 22742 OH2 TIP3 5478 -25.594 -15.984 -11.954 1.00 0.00 WAT +ATOM 22743 H1 TIP3 5478 -26.212 -15.246 -11.788 1.00 0.00 WAT +ATOM 22744 H2 TIP3 5478 -25.039 -15.613 -12.667 1.00 0.00 WAT +ATOM 22745 OH2 TIP3 5479 -29.217 -15.470 -18.790 1.00 0.00 WAT +ATOM 22746 H1 TIP3 5479 -29.929 -15.001 -18.306 1.00 0.00 WAT +ATOM 22747 H2 TIP3 5479 -29.575 -16.358 -18.799 1.00 0.00 WAT +ATOM 22748 OH2 TIP3 5480 -29.563 -16.787 -10.255 1.00 0.00 WAT +ATOM 22749 H1 TIP3 5480 -29.544 -16.044 -9.632 1.00 0.00 WAT +ATOM 22750 H2 TIP3 5480 -30.239 -16.477 -10.885 1.00 0.00 WAT +ATOM 22751 OH2 TIP3 5481 -37.824 -14.508 -17.299 1.00 0.00 WAT +ATOM 22752 H1 TIP3 5481 -38.166 -14.910 -18.121 1.00 0.00 WAT +ATOM 22753 H2 TIP3 5481 -37.185 -15.176 -16.997 1.00 0.00 WAT +ATOM 22754 OH2 TIP3 5482 -36.501 -11.146 -14.541 1.00 0.00 WAT +ATOM 22755 H1 TIP3 5482 -36.602 -11.463 -15.450 1.00 0.00 WAT +ATOM 22756 H2 TIP3 5482 -35.682 -11.594 -14.258 1.00 0.00 WAT +ATOM 22757 OH2 TIP3 5483 -37.250 -15.724 -13.804 1.00 0.00 WAT +ATOM 22758 H1 TIP3 5483 -36.705 -15.666 -14.613 1.00 0.00 WAT +ATOM 22759 H2 TIP3 5483 -36.872 -15.027 -13.238 1.00 0.00 WAT +ATOM 22760 OH2 TIP3 5484 -31.293 -10.174 -13.238 1.00 0.00 WAT +ATOM 22761 H1 TIP3 5484 -31.340 -9.496 -12.546 1.00 0.00 WAT +ATOM 22762 H2 TIP3 5484 -31.517 -11.001 -12.778 1.00 0.00 WAT +ATOM 22763 OH2 TIP3 5485 -36.395 -11.395 -8.956 1.00 0.00 WAT +ATOM 22764 H1 TIP3 5485 -36.897 -10.666 -8.545 1.00 0.00 WAT +ATOM 22765 H2 TIP3 5485 -37.002 -11.647 -9.679 1.00 0.00 WAT +ATOM 22766 OH2 TIP3 5486 -30.437 -16.094 -21.469 1.00 0.00 WAT +ATOM 22767 H1 TIP3 5486 -29.789 -15.886 -20.781 1.00 0.00 WAT +ATOM 22768 H2 TIP3 5486 -29.965 -15.741 -22.256 1.00 0.00 WAT +ATOM 22769 OH2 TIP3 5487 -39.554 -15.048 -9.820 1.00 0.00 WAT +ATOM 22770 H1 TIP3 5487 -39.486 -14.472 -9.040 1.00 0.00 WAT +ATOM 22771 H2 TIP3 5487 -40.522 -15.085 -9.945 1.00 0.00 WAT +ATOM 22772 OH2 TIP3 5488 -33.023 -9.252 -18.045 1.00 0.00 WAT +ATOM 22773 H1 TIP3 5488 -32.576 -8.912 -17.262 1.00 0.00 WAT +ATOM 22774 H2 TIP3 5488 -33.527 -8.484 -18.357 1.00 0.00 WAT +ATOM 22775 OH2 TIP3 5489 -38.333 -9.313 -8.164 1.00 0.00 WAT +ATOM 22776 H1 TIP3 5489 -38.406 -9.167 -9.125 1.00 0.00 WAT +ATOM 22777 H2 TIP3 5489 -39.262 -9.411 -7.890 1.00 0.00 WAT +ATOM 22778 OH2 TIP3 5490 -27.043 -24.082 -22.055 1.00 0.00 WAT +ATOM 22779 H1 TIP3 5490 -27.899 -23.950 -21.613 1.00 0.00 WAT +ATOM 22780 H2 TIP3 5490 -26.729 -23.165 -22.134 1.00 0.00 WAT +ATOM 22781 OH2 TIP3 5491 -38.905 -15.791 -19.791 1.00 0.00 WAT +ATOM 22782 H1 TIP3 5491 -39.160 -15.021 -20.330 1.00 0.00 WAT +ATOM 22783 H2 TIP3 5491 -39.712 -16.335 -19.852 1.00 0.00 WAT +ATOM 22784 OH2 TIP3 5492 -25.669 -9.944 -23.638 1.00 0.00 WAT +ATOM 22785 H1 TIP3 5492 -25.519 -9.017 -23.358 1.00 0.00 WAT +ATOM 22786 H2 TIP3 5492 -24.818 -10.355 -23.389 1.00 0.00 WAT +ATOM 22787 OH2 TIP3 5493 -42.638 -12.954 -11.238 1.00 0.00 WAT +ATOM 22788 H1 TIP3 5493 -42.858 -13.266 -12.133 1.00 0.00 WAT +ATOM 22789 H2 TIP3 5493 -43.079 -13.628 -10.690 1.00 0.00 WAT +ATOM 22790 OH2 TIP3 5494 -42.835 -10.204 -14.239 1.00 0.00 WAT +ATOM 22791 H1 TIP3 5494 -41.959 -10.574 -14.076 1.00 0.00 WAT +ATOM 22792 H2 TIP3 5494 -42.978 -9.645 -13.467 1.00 0.00 WAT +ATOM 22793 OH2 TIP3 5495 -33.670 -10.407 -9.561 1.00 0.00 WAT +ATOM 22794 H1 TIP3 5495 -33.537 -9.572 -9.073 1.00 0.00 WAT +ATOM 22795 H2 TIP3 5495 -34.589 -10.633 -9.339 1.00 0.00 WAT +ATOM 22796 OH2 TIP3 5496 -33.442 -6.520 -19.549 1.00 0.00 WAT +ATOM 22797 H1 TIP3 5496 -33.514 -6.449 -20.516 1.00 0.00 WAT +ATOM 22798 H2 TIP3 5496 -33.422 -5.592 -19.267 1.00 0.00 WAT +ATOM 22799 OH2 TIP3 5497 -39.575 -7.453 -17.826 1.00 0.00 WAT +ATOM 22800 H1 TIP3 5497 -39.570 -7.914 -16.963 1.00 0.00 WAT +ATOM 22801 H2 TIP3 5497 -40.441 -7.706 -18.180 1.00 0.00 WAT +ATOM 22802 OH2 TIP3 5498 -30.175 -7.082 -22.367 1.00 0.00 WAT +ATOM 22803 H1 TIP3 5498 -29.636 -7.756 -22.819 1.00 0.00 WAT +ATOM 22804 H2 TIP3 5498 -30.247 -7.463 -21.467 1.00 0.00 WAT +ATOM 22805 OH2 TIP3 5499 -30.792 -7.687 -19.588 1.00 0.00 WAT +ATOM 22806 H1 TIP3 5499 -31.744 -7.524 -19.457 1.00 0.00 WAT +ATOM 22807 H2 TIP3 5499 -30.649 -8.393 -18.935 1.00 0.00 WAT +ATOM 22808 OH2 TIP3 5500 -27.705 -18.203 -7.982 1.00 0.00 WAT +ATOM 22809 H1 TIP3 5500 -28.128 -17.844 -8.771 1.00 0.00 WAT +ATOM 22810 H2 TIP3 5500 -27.617 -19.146 -8.218 1.00 0.00 WAT +ATOM 22811 OH2 TIP3 5501 -40.736 -11.552 -9.731 1.00 0.00 WAT +ATOM 22812 H1 TIP3 5501 -40.431 -12.185 -9.064 1.00 0.00 WAT +ATOM 22813 H2 TIP3 5501 -41.480 -12.027 -10.167 1.00 0.00 WAT +ATOM 22814 OH2 TIP3 5502 -37.485 -23.086 -14.019 1.00 0.00 WAT +ATOM 22815 H1 TIP3 5502 -38.298 -23.178 -14.549 1.00 0.00 WAT +ATOM 22816 H2 TIP3 5502 -37.738 -22.346 -13.445 1.00 0.00 WAT +ATOM 22817 OH2 TIP3 5503 -33.111 -23.497 -10.375 1.00 0.00 WAT +ATOM 22818 H1 TIP3 5503 -32.568 -24.026 -9.756 1.00 0.00 WAT +ATOM 22819 H2 TIP3 5503 -34.004 -23.870 -10.254 1.00 0.00 WAT +ATOM 22820 OH2 TIP3 5504 -29.999 -19.715 -9.923 1.00 0.00 WAT +ATOM 22821 H1 TIP3 5504 -30.526 -19.876 -9.119 1.00 0.00 WAT +ATOM 22822 H2 TIP3 5504 -29.995 -18.745 -9.999 1.00 0.00 WAT +ATOM 22823 OH2 TIP3 5505 -29.080 -14.925 -23.608 1.00 0.00 WAT +ATOM 22824 H1 TIP3 5505 -29.222 -15.049 -24.556 1.00 0.00 WAT +ATOM 22825 H2 TIP3 5505 -28.156 -14.619 -23.586 1.00 0.00 WAT +ATOM 22826 OH2 TIP3 5506 -33.102 -20.967 -23.291 1.00 0.00 WAT +ATOM 22827 H1 TIP3 5506 -33.404 -21.041 -22.379 1.00 0.00 WAT +ATOM 22828 H2 TIP3 5506 -33.568 -21.703 -23.718 1.00 0.00 WAT +ATOM 22829 OH2 TIP3 5507 -37.594 -18.288 -12.616 1.00 0.00 WAT +ATOM 22830 H1 TIP3 5507 -38.226 -18.186 -11.886 1.00 0.00 WAT +ATOM 22831 H2 TIP3 5507 -37.549 -17.379 -12.986 1.00 0.00 WAT +ATOM 22832 OH2 TIP3 5508 -37.682 -18.233 -17.738 1.00 0.00 WAT +ATOM 22833 H1 TIP3 5508 -38.640 -18.248 -17.920 1.00 0.00 WAT +ATOM 22834 H2 TIP3 5508 -37.334 -18.390 -18.638 1.00 0.00 WAT +ATOM 22835 OH2 TIP3 5509 -31.688 -17.706 -19.148 1.00 0.00 WAT +ATOM 22836 H1 TIP3 5509 -32.234 -16.938 -19.412 1.00 0.00 WAT +ATOM 22837 H2 TIP3 5509 -31.193 -17.870 -19.969 1.00 0.00 WAT +ATOM 22838 OH2 TIP3 5510 -32.876 -17.414 -7.570 1.00 0.00 WAT +ATOM 22839 H1 TIP3 5510 -33.364 -18.202 -7.254 1.00 0.00 WAT +ATOM 22840 H2 TIP3 5510 -31.983 -17.577 -7.208 1.00 0.00 WAT +ATOM 22841 OH2 TIP3 5511 -30.648 -18.007 -16.327 1.00 0.00 WAT +ATOM 22842 H1 TIP3 5511 -31.248 -17.470 -16.879 1.00 0.00 WAT +ATOM 22843 H2 TIP3 5511 -30.806 -18.891 -16.721 1.00 0.00 WAT +ATOM 22844 OH2 TIP3 5512 -40.216 -18.133 -10.790 1.00 0.00 WAT +ATOM 22845 H1 TIP3 5512 -39.976 -17.766 -9.931 1.00 0.00 WAT +ATOM 22846 H2 TIP3 5512 -40.531 -19.019 -10.543 1.00 0.00 WAT +ATOM 22847 OH2 TIP3 5513 -36.854 -20.542 -24.190 1.00 0.00 WAT +ATOM 22848 H1 TIP3 5513 -37.227 -20.908 -23.364 1.00 0.00 WAT +ATOM 22849 H2 TIP3 5513 -37.640 -20.393 -24.727 1.00 0.00 WAT +ATOM 22850 OH2 TIP3 5514 -43.237 -20.574 -17.081 1.00 0.00 WAT +ATOM 22851 H1 TIP3 5514 -43.051 -20.834 -16.161 1.00 0.00 WAT +ATOM 22852 H2 TIP3 5514 -42.772 -21.244 -17.585 1.00 0.00 WAT +ATOM 22853 OH2 TIP3 5515 -42.125 -19.993 -21.259 1.00 0.00 WAT +ATOM 22854 H1 TIP3 5515 -41.500 -19.763 -21.977 1.00 0.00 WAT +ATOM 22855 H2 TIP3 5515 -42.960 -19.770 -21.685 1.00 0.00 WAT +ATOM 22856 OH2 TIP3 5516 -32.072 -16.575 -11.686 1.00 0.00 WAT +ATOM 22857 H1 TIP3 5516 -31.661 -17.294 -12.220 1.00 0.00 WAT +ATOM 22858 H2 TIP3 5516 -32.455 -17.085 -10.956 1.00 0.00 WAT +ATOM 22859 OH2 TIP3 5517 -34.880 -20.574 -16.677 1.00 0.00 WAT +ATOM 22860 H1 TIP3 5517 -35.832 -20.661 -16.497 1.00 0.00 WAT +ATOM 22861 H2 TIP3 5517 -34.494 -20.891 -15.842 1.00 0.00 WAT +ATOM 22862 OH2 TIP3 5518 -40.401 -19.411 -18.033 1.00 0.00 WAT +ATOM 22863 H1 TIP3 5518 -41.202 -19.279 -18.553 1.00 0.00 WAT +ATOM 22864 H2 TIP3 5518 -40.019 -20.207 -18.447 1.00 0.00 WAT +ATOM 22865 OH2 TIP3 5519 -36.728 -19.087 -20.363 1.00 0.00 WAT +ATOM 22866 H1 TIP3 5519 -35.761 -18.994 -20.287 1.00 0.00 WAT +ATOM 22867 H2 TIP3 5519 -36.970 -18.454 -21.063 1.00 0.00 WAT +ATOM 22868 OH2 TIP3 5520 -30.541 -21.436 -13.694 1.00 0.00 WAT +ATOM 22869 H1 TIP3 5520 -31.180 -21.471 -12.950 1.00 0.00 WAT +ATOM 22870 H2 TIP3 5520 -31.079 -21.836 -14.398 1.00 0.00 WAT +ATOM 22871 OH2 TIP3 5521 -38.234 -17.828 -22.590 1.00 0.00 WAT +ATOM 22872 H1 TIP3 5521 -38.831 -18.122 -23.292 1.00 0.00 WAT +ATOM 22873 H2 TIP3 5521 -37.427 -17.620 -23.092 1.00 0.00 WAT +ATOM 22874 OH2 TIP3 5522 -27.263 -5.673 -7.312 1.00 0.00 WAT +ATOM 22875 H1 TIP3 5522 -27.161 -5.092 -8.078 1.00 0.00 WAT +ATOM 22876 H2 TIP3 5522 -26.560 -5.333 -6.735 1.00 0.00 WAT +ATOM 22877 OH2 TIP3 5523 -39.465 -13.176 -7.517 1.00 0.00 WAT +ATOM 22878 H1 TIP3 5523 -38.944 -12.779 -6.815 1.00 0.00 WAT +ATOM 22879 H2 TIP3 5523 -40.373 -13.061 -7.157 1.00 0.00 WAT +ATOM 22880 OH2 TIP3 5524 -33.682 -18.112 -14.915 1.00 0.00 WAT +ATOM 22881 H1 TIP3 5524 -33.207 -18.774 -15.428 1.00 0.00 WAT +ATOM 22882 H2 TIP3 5524 -33.979 -18.647 -14.150 1.00 0.00 WAT +ATOM 22883 OH2 TIP3 5525 -38.724 -21.727 -18.644 1.00 0.00 WAT +ATOM 22884 H1 TIP3 5525 -39.139 -22.598 -18.608 1.00 0.00 WAT +ATOM 22885 H2 TIP3 5525 -37.912 -21.916 -19.136 1.00 0.00 WAT +ATOM 22886 OH2 TIP3 5526 -34.873 -19.545 -12.743 1.00 0.00 WAT +ATOM 22887 H1 TIP3 5526 -35.690 -19.027 -12.643 1.00 0.00 WAT +ATOM 22888 H2 TIP3 5526 -34.401 -19.377 -11.903 1.00 0.00 WAT +ATOM 22889 OH2 TIP3 5527 -34.724 -13.299 -20.729 1.00 0.00 WAT +ATOM 22890 H1 TIP3 5527 -35.499 -13.767 -21.108 1.00 0.00 WAT +ATOM 22891 H2 TIP3 5527 -34.960 -13.242 -19.776 1.00 0.00 WAT +ATOM 22892 OH2 TIP3 5528 -27.601 -13.951 -11.895 1.00 0.00 WAT +ATOM 22893 H1 TIP3 5528 -27.046 -13.352 -12.438 1.00 0.00 WAT +ATOM 22894 H2 TIP3 5528 -28.349 -14.118 -12.491 1.00 0.00 WAT +ATOM 22895 OH2 TIP3 5529 -33.036 -13.255 -9.466 1.00 0.00 WAT +ATOM 22896 H1 TIP3 5529 -33.360 -13.586 -8.618 1.00 0.00 WAT +ATOM 22897 H2 TIP3 5529 -33.310 -12.320 -9.446 1.00 0.00 WAT +ATOM 22898 OH2 TIP3 5530 -39.692 -13.882 -14.985 1.00 0.00 WAT +ATOM 22899 H1 TIP3 5530 -39.108 -13.991 -15.756 1.00 0.00 WAT +ATOM 22900 H2 TIP3 5530 -39.620 -14.746 -14.548 1.00 0.00 WAT +ATOM 22901 OH2 TIP3 5531 -32.370 -11.867 -21.795 1.00 0.00 WAT +ATOM 22902 H1 TIP3 5531 -32.658 -11.005 -21.434 1.00 0.00 WAT +ATOM 22903 H2 TIP3 5531 -33.121 -12.434 -21.542 1.00 0.00 WAT +ATOM 22904 OH2 TIP3 5532 -42.375 -15.398 -9.374 1.00 0.00 WAT +ATOM 22905 H1 TIP3 5532 -42.319 -16.063 -8.668 1.00 0.00 WAT +ATOM 22906 H2 TIP3 5532 -42.865 -15.891 -10.073 1.00 0.00 WAT +ATOM 22907 OH2 TIP3 5533 -35.402 -16.022 -7.674 1.00 0.00 WAT +ATOM 22908 H1 TIP3 5533 -35.765 -16.321 -8.528 1.00 0.00 WAT +ATOM 22909 H2 TIP3 5533 -34.495 -16.376 -7.735 1.00 0.00 WAT +ATOM 22910 OH2 TIP3 5534 -25.233 -18.614 -21.110 1.00 0.00 WAT +ATOM 22911 H1 TIP3 5534 -26.034 -18.999 -21.512 1.00 0.00 WAT +ATOM 22912 H2 TIP3 5534 -25.333 -17.687 -21.389 1.00 0.00 WAT +ATOM 22913 OH2 TIP3 5535 -25.240 -12.489 -8.596 1.00 0.00 WAT +ATOM 22914 H1 TIP3 5535 -25.959 -12.070 -9.081 1.00 0.00 WAT +ATOM 22915 H2 TIP3 5535 -24.489 -12.230 -9.161 1.00 0.00 WAT +ATOM 22916 OH2 TIP3 5536 -27.236 -10.018 -21.156 1.00 0.00 WAT +ATOM 22917 H1 TIP3 5536 -27.369 -10.740 -20.524 1.00 0.00 WAT +ATOM 22918 H2 TIP3 5536 -26.564 -10.363 -21.755 1.00 0.00 WAT +ATOM 22919 OH2 TIP3 5537 -29.723 -14.907 -13.774 1.00 0.00 WAT +ATOM 22920 H1 TIP3 5537 -30.661 -15.007 -14.025 1.00 0.00 WAT +ATOM 22921 H2 TIP3 5537 -29.347 -15.736 -14.090 1.00 0.00 WAT +ATOM 22922 OH2 TIP3 5538 -37.279 -10.529 -17.613 1.00 0.00 WAT +ATOM 22923 H1 TIP3 5538 -36.868 -9.669 -17.799 1.00 0.00 WAT +ATOM 22924 H2 TIP3 5538 -38.180 -10.378 -17.930 1.00 0.00 WAT +ATOM 22925 OH2 TIP3 5539 -41.585 -15.608 -22.923 1.00 0.00 WAT +ATOM 22926 H1 TIP3 5539 -40.821 -15.105 -22.576 1.00 0.00 WAT +ATOM 22927 H2 TIP3 5539 -42.283 -14.955 -22.785 1.00 0.00 WAT +ATOM 22928 OH2 TIP3 5540 -35.428 -12.875 -18.017 1.00 0.00 WAT +ATOM 22929 H1 TIP3 5540 -35.722 -11.957 -17.901 1.00 0.00 WAT +ATOM 22930 H2 TIP3 5540 -36.176 -13.362 -17.638 1.00 0.00 WAT +ATOM 22931 OH2 TIP3 5541 -35.245 -8.636 -11.653 1.00 0.00 WAT +ATOM 22932 H1 TIP3 5541 -34.724 -7.885 -11.984 1.00 0.00 WAT +ATOM 22933 H2 TIP3 5541 -34.597 -9.074 -11.080 1.00 0.00 WAT +ATOM 22934 OH2 TIP3 5542 -36.813 -7.675 -18.433 1.00 0.00 WAT +ATOM 22935 H1 TIP3 5542 -37.779 -7.554 -18.349 1.00 0.00 WAT +ATOM 22936 H2 TIP3 5542 -36.495 -6.774 -18.245 1.00 0.00 WAT +ATOM 22937 OH2 TIP3 5543 -31.631 -12.870 -12.009 1.00 0.00 WAT +ATOM 22938 H1 TIP3 5543 -32.128 -13.219 -11.245 1.00 0.00 WAT +ATOM 22939 H2 TIP3 5543 -31.038 -13.601 -12.235 1.00 0.00 WAT +ATOM 22940 OH2 TIP3 5544 -29.627 -11.629 -23.193 1.00 0.00 WAT +ATOM 22941 H1 TIP3 5544 -29.280 -12.052 -22.385 1.00 0.00 WAT +ATOM 22942 H2 TIP3 5544 -30.580 -11.728 -23.013 1.00 0.00 WAT +ATOM 22943 OH2 TIP3 5545 -29.090 -8.494 -9.612 1.00 0.00 WAT +ATOM 22944 H1 TIP3 5545 -29.776 -8.645 -10.289 1.00 0.00 WAT +ATOM 22945 H2 TIP3 5545 -28.719 -7.657 -9.936 1.00 0.00 WAT +ATOM 22946 OH2 TIP3 5546 -24.947 -7.287 -22.690 1.00 0.00 WAT +ATOM 22947 H1 TIP3 5546 -24.261 -6.624 -22.891 1.00 0.00 WAT +ATOM 22948 H2 TIP3 5546 -25.707 -6.678 -22.612 1.00 0.00 WAT +ATOM 22949 OH2 TIP3 5547 -41.018 -20.816 -9.980 1.00 0.00 WAT +ATOM 22950 H1 TIP3 5547 -41.864 -20.495 -10.346 1.00 0.00 WAT +ATOM 22951 H2 TIP3 5547 -41.232 -21.697 -9.626 1.00 0.00 WAT +ATOM 22952 OH2 TIP3 5548 -28.702 -13.020 -20.796 1.00 0.00 WAT +ATOM 22953 H1 TIP3 5548 -28.936 -13.725 -20.174 1.00 0.00 WAT +ATOM 22954 H2 TIP3 5548 -27.736 -12.988 -20.696 1.00 0.00 WAT +ATOM 22955 OH2 TIP3 5549 -41.298 -9.132 -11.591 1.00 0.00 WAT +ATOM 22956 H1 TIP3 5549 -41.090 -10.072 -11.517 1.00 0.00 WAT +ATOM 22957 H2 TIP3 5549 -40.927 -8.799 -10.766 1.00 0.00 WAT +ATOM 22958 OH2 TIP3 5550 -35.191 -10.541 -24.391 1.00 0.00 WAT +ATOM 22959 H1 TIP3 5550 -35.260 -11.176 -25.125 1.00 0.00 WAT +ATOM 22960 H2 TIP3 5550 -35.860 -10.891 -23.777 1.00 0.00 WAT +ATOM 22961 OH2 TIP3 5551 -36.604 -11.004 -21.860 1.00 0.00 WAT +ATOM 22962 H1 TIP3 5551 -36.105 -11.508 -21.205 1.00 0.00 WAT +ATOM 22963 H2 TIP3 5551 -36.451 -10.079 -21.581 1.00 0.00 WAT +ATOM 22964 OH2 TIP3 5552 -39.844 -13.602 -21.532 1.00 0.00 WAT +ATOM 22965 H1 TIP3 5552 -40.551 -13.171 -20.994 1.00 0.00 WAT +ATOM 22966 H2 TIP3 5552 -39.403 -12.806 -21.877 1.00 0.00 WAT +ATOM 22967 OH2 TIP3 5553 -32.131 -21.073 -11.491 1.00 0.00 WAT +ATOM 22968 H1 TIP3 5553 -31.475 -20.801 -10.828 1.00 0.00 WAT +ATOM 22969 H2 TIP3 5553 -32.578 -21.827 -11.057 1.00 0.00 WAT +ATOM 22970 OH2 TIP3 5554 -31.640 -21.496 -20.462 1.00 0.00 WAT +ATOM 22971 H1 TIP3 5554 -31.237 -20.974 -21.188 1.00 0.00 WAT +ATOM 22972 H2 TIP3 5554 -31.025 -21.208 -19.778 1.00 0.00 WAT +ATOM 22973 OH2 TIP3 5555 -33.639 -9.350 -21.289 1.00 0.00 WAT +ATOM 22974 H1 TIP3 5555 -34.493 -8.901 -21.150 1.00 0.00 WAT +ATOM 22975 H2 TIP3 5555 -33.290 -8.875 -22.053 1.00 0.00 WAT +ATOM 22976 OH2 TIP3 5556 -34.067 -19.566 -19.286 1.00 0.00 WAT +ATOM 22977 H1 TIP3 5556 -33.202 -19.129 -19.187 1.00 0.00 WAT +ATOM 22978 H2 TIP3 5556 -34.320 -19.750 -18.362 1.00 0.00 WAT +ATOM 22979 OH2 TIP3 5557 -33.677 -18.734 -10.137 1.00 0.00 WAT +ATOM 22980 H1 TIP3 5557 -33.623 -18.227 -9.311 1.00 0.00 WAT +ATOM 22981 H2 TIP3 5557 -33.144 -19.513 -9.924 1.00 0.00 WAT +ATOM 22982 OH2 TIP3 5558 -33.431 -22.611 -18.395 1.00 0.00 WAT +ATOM 22983 H1 TIP3 5558 -33.614 -21.935 -17.718 1.00 0.00 WAT +ATOM 22984 H2 TIP3 5558 -32.725 -22.180 -18.914 1.00 0.00 WAT +ATOM 22985 OH2 TIP3 5559 -36.386 -8.288 -21.318 1.00 0.00 WAT +ATOM 22986 H1 TIP3 5559 -36.547 -7.489 -21.862 1.00 0.00 WAT +ATOM 22987 H2 TIP3 5559 -36.647 -7.971 -20.434 1.00 0.00 WAT +ATOM 22988 OH2 TIP3 5560 -37.740 -21.622 -21.762 1.00 0.00 WAT +ATOM 22989 H1 TIP3 5560 -37.656 -20.807 -21.236 1.00 0.00 WAT +ATOM 22990 H2 TIP3 5560 -36.909 -22.082 -21.515 1.00 0.00 WAT +ATOM 22991 OH2 TIP3 5561 -27.408 -20.705 -9.262 1.00 0.00 WAT +ATOM 22992 H1 TIP3 5561 -28.368 -20.632 -9.415 1.00 0.00 WAT +ATOM 22993 H2 TIP3 5561 -27.138 -20.944 -10.161 1.00 0.00 WAT +ATOM 22994 OH2 TIP3 5562 -39.345 -10.775 -22.745 1.00 0.00 WAT +ATOM 22995 H1 TIP3 5562 -38.585 -10.335 -22.335 1.00 0.00 WAT +ATOM 22996 H2 TIP3 5562 -38.895 -11.244 -23.467 1.00 0.00 WAT +ATOM 22997 OH2 TIP3 5563 -41.193 -18.620 -23.517 1.00 0.00 WAT +ATOM 22998 H1 TIP3 5563 -41.036 -17.667 -23.423 1.00 0.00 WAT +ATOM 22999 H2 TIP3 5563 -41.906 -18.660 -24.161 1.00 0.00 WAT +ATOM 23000 OH2 TIP3 5564 -27.508 -8.022 -13.619 1.00 0.00 WAT +ATOM 23001 H1 TIP3 5564 -27.816 -7.281 -14.176 1.00 0.00 WAT +ATOM 23002 H2 TIP3 5564 -26.619 -7.733 -13.392 1.00 0.00 WAT +ATOM 23003 OH2 TIP3 5565 -40.249 -23.627 -14.888 1.00 0.00 WAT +ATOM 23004 H1 TIP3 5565 -40.578 -23.626 -15.806 1.00 0.00 WAT +ATOM 23005 H2 TIP3 5565 -40.705 -24.405 -14.512 1.00 0.00 WAT +ATOM 23006 OH2 TIP3 5566 -41.413 -9.831 -18.859 1.00 0.00 WAT +ATOM 23007 H1 TIP3 5566 -42.265 -9.395 -18.708 1.00 0.00 WAT +ATOM 23008 H2 TIP3 5566 -40.996 -9.271 -19.523 1.00 0.00 WAT +ATOM 23009 OH2 TIP3 5567 -42.134 -7.195 -7.374 1.00 0.00 WAT +ATOM 23010 H1 TIP3 5567 -41.506 -7.209 -6.626 1.00 0.00 WAT +ATOM 23011 H2 TIP3 5567 -42.190 -8.150 -7.526 1.00 0.00 WAT +ATOM 23012 OH2 TIP3 5568 -37.358 -8.096 -5.659 1.00 0.00 WAT +ATOM 23013 H1 TIP3 5568 -36.608 -8.661 -5.412 1.00 0.00 WAT +ATOM 23014 H2 TIP3 5568 -37.488 -8.348 -6.587 1.00 0.00 WAT +ATOM 23015 OH2 TIP3 5569 -33.099 -8.824 -24.178 1.00 0.00 WAT +ATOM 23016 H1 TIP3 5569 -33.929 -9.360 -24.179 1.00 0.00 WAT +ATOM 23017 H2 TIP3 5569 -32.485 -9.514 -24.463 1.00 0.00 WAT +ATOM 23018 OH2 TIP3 5570 -28.660 -8.939 -24.100 1.00 0.00 WAT +ATOM 23019 H1 TIP3 5570 -28.522 -9.707 -23.518 1.00 0.00 WAT +ATOM 23020 H2 TIP3 5570 -27.789 -8.843 -24.514 1.00 0.00 WAT +ATOM 23021 OH2 TIP3 5571 -41.967 -13.146 -6.778 1.00 0.00 WAT +ATOM 23022 H1 TIP3 5571 -41.908 -14.051 -7.123 1.00 0.00 WAT +ATOM 23023 H2 TIP3 5571 -42.845 -12.872 -7.090 1.00 0.00 WAT +ATOM 23024 OH2 TIP3 5572 -37.840 -13.083 -24.144 1.00 0.00 WAT +ATOM 23025 H1 TIP3 5572 -37.531 -13.746 -23.511 1.00 0.00 WAT +ATOM 23026 H2 TIP3 5572 -37.096 -12.990 -24.752 1.00 0.00 WAT +ATOM 23027 OH2 TIP3 5573 -35.453 -13.311 -6.906 1.00 0.00 WAT +ATOM 23028 H1 TIP3 5573 -35.617 -12.914 -7.780 1.00 0.00 WAT +ATOM 23029 H2 TIP3 5573 -35.281 -14.251 -7.132 1.00 0.00 WAT +ATOM 23030 OH2 TIP3 5574 -32.372 -11.729 -24.737 1.00 0.00 WAT +ATOM 23031 H1 TIP3 5574 -32.651 -11.720 -23.805 1.00 0.00 WAT +ATOM 23032 H2 TIP3 5574 -32.565 -12.668 -24.944 1.00 0.00 WAT +ATOM 23033 OH2 TIP3 5575 -29.718 -13.035 -9.315 1.00 0.00 WAT +ATOM 23034 H1 TIP3 5575 -29.114 -12.963 -10.072 1.00 0.00 WAT +ATOM 23035 H2 TIP3 5575 -30.564 -12.733 -9.677 1.00 0.00 WAT +ATOM 23036 OH2 TIP3 5576 -41.320 -16.402 -6.981 1.00 0.00 WAT +ATOM 23037 H1 TIP3 5576 -40.548 -16.987 -7.087 1.00 0.00 WAT +ATOM 23038 H2 TIP3 5576 -41.277 -16.195 -6.037 1.00 0.00 WAT +ATOM 23039 OH2 TIP3 5577 -36.688 -15.027 -21.914 1.00 0.00 WAT +ATOM 23040 H1 TIP3 5577 -37.352 -15.497 -21.384 1.00 0.00 WAT +ATOM 23041 H2 TIP3 5577 -36.428 -15.714 -22.558 1.00 0.00 WAT +ATOM 23042 OH2 TIP3 5578 -37.495 -17.207 -9.665 1.00 0.00 WAT +ATOM 23043 H1 TIP3 5578 -38.063 -16.422 -9.549 1.00 0.00 WAT +ATOM 23044 H2 TIP3 5578 -36.856 -16.890 -10.328 1.00 0.00 WAT +ATOM 23045 OH2 TIP3 5579 -35.756 -16.994 -23.713 1.00 0.00 WAT +ATOM 23046 H1 TIP3 5579 -35.791 -16.869 -24.679 1.00 0.00 WAT +ATOM 23047 H2 TIP3 5579 -34.796 -16.961 -23.549 1.00 0.00 WAT +ATOM 23048 OH2 TIP3 5580 -32.193 -14.501 -6.117 1.00 0.00 WAT +ATOM 23049 H1 TIP3 5580 -31.302 -14.668 -6.462 1.00 0.00 WAT +ATOM 23050 H2 TIP3 5580 -32.434 -15.383 -5.804 1.00 0.00 WAT +ATOM 23051 OH2 TIP3 5581 -26.363 -14.464 -24.353 1.00 0.00 WAT +ATOM 23052 H1 TIP3 5581 -26.372 -14.917 -25.208 1.00 0.00 WAT +ATOM 23053 H2 TIP3 5581 -26.312 -13.532 -24.617 1.00 0.00 WAT +ATOM 23054 OH2 TIP3 5582 -36.928 -19.939 -8.552 1.00 0.00 WAT +ATOM 23055 H1 TIP3 5582 -36.834 -20.598 -9.266 1.00 0.00 WAT +ATOM 23056 H2 TIP3 5582 -37.100 -19.129 -9.063 1.00 0.00 WAT +ATOM 23057 OH2 TIP3 5583 -36.565 -21.438 -11.113 1.00 0.00 WAT +ATOM 23058 H1 TIP3 5583 -36.054 -20.948 -11.781 1.00 0.00 WAT +ATOM 23059 H2 TIP3 5583 -37.475 -21.429 -11.478 1.00 0.00 WAT +ATOM 23060 OH2 TIP3 5584 -35.007 -16.008 -10.694 1.00 0.00 WAT +ATOM 23061 H1 TIP3 5584 -34.181 -16.103 -11.188 1.00 0.00 WAT +ATOM 23062 H2 TIP3 5584 -35.333 -15.147 -11.023 1.00 0.00 WAT +ATOM 23063 OH2 TIP3 5585 -30.416 -18.071 -5.916 1.00 0.00 WAT +ATOM 23064 H1 TIP3 5585 -30.220 -19.013 -5.797 1.00 0.00 WAT +ATOM 23065 H2 TIP3 5585 -29.515 -17.707 -5.928 1.00 0.00 WAT +ATOM 23066 OH2 TIP3 5586 -29.548 -15.242 -7.584 1.00 0.00 WAT +ATOM 23067 H1 TIP3 5586 -29.679 -14.462 -8.160 1.00 0.00 WAT +ATOM 23068 H2 TIP3 5586 -28.614 -15.446 -7.772 1.00 0.00 WAT +ATOM 23069 OH2 TIP3 5587 -38.756 -18.041 -6.765 1.00 0.00 WAT +ATOM 23070 H1 TIP3 5587 -39.288 -18.858 -6.775 1.00 0.00 WAT +ATOM 23071 H2 TIP3 5587 -37.966 -18.321 -7.254 1.00 0.00 WAT +ATOM 23072 OH2 TIP3 5588 -35.870 -24.134 -10.746 1.00 0.00 WAT +ATOM 23073 H1 TIP3 5588 -36.024 -23.183 -10.922 1.00 0.00 WAT +ATOM 23074 H2 TIP3 5588 -36.561 -24.548 -11.297 1.00 0.00 WAT +ATOM 23075 OH2 TIP3 5589 -34.599 -19.520 -6.953 1.00 0.00 WAT +ATOM 23076 H1 TIP3 5589 -34.902 -19.825 -6.081 1.00 0.00 WAT +ATOM 23077 H2 TIP3 5589 -35.388 -19.737 -7.492 1.00 0.00 WAT +ATOM 23078 OH2 TIP3 5590 -32.045 -20.503 -8.088 1.00 0.00 WAT +ATOM 23079 H1 TIP3 5590 -32.922 -20.508 -7.669 1.00 0.00 WAT +ATOM 23080 H2 TIP3 5590 -31.554 -21.141 -7.527 1.00 0.00 WAT +ATOM 23081 OH2 TIP3 5591 -30.291 -22.017 -6.407 1.00 0.00 WAT +ATOM 23082 H1 TIP3 5591 -30.341 -22.980 -6.237 1.00 0.00 WAT +ATOM 23083 H2 TIP3 5591 -30.367 -21.628 -5.516 1.00 0.00 WAT +ATOM 23084 OH2 TIP3 5592 -40.124 -20.591 -6.940 1.00 0.00 WAT +ATOM 23085 H1 TIP3 5592 -40.154 -21.311 -7.590 1.00 0.00 WAT +ATOM 23086 H2 TIP3 5592 -40.317 -21.059 -6.107 1.00 0.00 WAT +ATOM 23087 OH2 TIP3 5593 -36.002 -24.646 -7.940 1.00 0.00 WAT +ATOM 23088 H1 TIP3 5593 -35.410 -25.416 -7.885 1.00 0.00 WAT +ATOM 23089 H2 TIP3 5593 -36.025 -24.504 -8.908 1.00 0.00 WAT +ATOM 23090 OH2 TIP3 5594 -35.059 -22.768 -6.105 1.00 0.00 WAT +ATOM 23091 H1 TIP3 5594 -35.326 -23.381 -6.821 1.00 0.00 WAT +ATOM 23092 H2 TIP3 5594 -35.793 -22.143 -6.082 1.00 0.00 WAT +ATOM 23093 OH2 TIP3 5595 -35.988 -5.678 -22.573 1.00 0.00 WAT +ATOM 23094 H1 TIP3 5595 -35.026 -5.630 -22.497 1.00 0.00 WAT +ATOM 23095 H2 TIP3 5595 -36.124 -5.379 -23.480 1.00 0.00 WAT +ATOM 23096 OH2 TIP3 5596 -42.082 -10.872 -23.509 1.00 0.00 WAT +ATOM 23097 H1 TIP3 5596 -41.207 -10.824 -23.078 1.00 0.00 WAT +ATOM 23098 H2 TIP3 5596 -42.044 -11.728 -23.956 1.00 0.00 WAT +ATOM 23099 OH2 TIP3 5597 -42.737 -8.103 -16.410 1.00 0.00 WAT +ATOM 23100 H1 TIP3 5597 -42.786 -8.977 -15.986 1.00 0.00 WAT +ATOM 23101 H2 TIP3 5597 -42.434 -7.560 -15.669 1.00 0.00 WAT +ATOM 23102 OH2 TIP3 5598 -27.233 -11.564 -6.009 1.00 0.00 WAT +ATOM 23103 H1 TIP3 5598 -27.740 -11.849 -5.226 1.00 0.00 WAT +ATOM 23104 H2 TIP3 5598 -26.444 -11.152 -5.620 1.00 0.00 WAT +ATOM 23105 OH2 TIP3 5599 -25.834 -13.180 -20.385 1.00 0.00 WAT +ATOM 23106 H1 TIP3 5599 -24.948 -12.819 -20.178 1.00 0.00 WAT +ATOM 23107 H2 TIP3 5599 -25.978 -13.779 -19.633 1.00 0.00 WAT +ATOM 23108 OH2 TIP3 5600 -25.691 -15.399 -18.207 1.00 0.00 WAT +ATOM 23109 H1 TIP3 5600 -25.883 -16.176 -17.681 1.00 0.00 WAT +ATOM 23110 H2 TIP3 5600 -24.880 -15.078 -17.768 1.00 0.00 WAT +ATOM 23111 OH2 TIP3 5601 -25.672 -12.629 -13.486 1.00 0.00 WAT +ATOM 23112 H1 TIP3 5601 -24.991 -13.141 -13.951 1.00 0.00 WAT +ATOM 23113 H2 TIP3 5601 -25.469 -11.723 -13.772 1.00 0.00 WAT +ATOM 23114 OH2 TIP3 5602 -27.109 -10.275 -10.807 1.00 0.00 WAT +ATOM 23115 H1 TIP3 5602 -27.412 -9.369 -10.712 1.00 0.00 WAT +ATOM 23116 H2 TIP3 5602 -27.257 -10.440 -11.752 1.00 0.00 WAT +ATOM 23117 OH2 TIP3 5603 -25.073 -15.611 -21.850 1.00 0.00 WAT +ATOM 23118 H1 TIP3 5603 -25.670 -15.516 -22.612 1.00 0.00 WAT +ATOM 23119 H2 TIP3 5603 -25.296 -14.813 -21.340 1.00 0.00 WAT +ATOM 23120 OH2 TIP3 5604 -26.702 -17.970 -23.770 1.00 0.00 WAT +ATOM 23121 H1 TIP3 5604 -26.504 -17.551 -24.612 1.00 0.00 WAT +ATOM 23122 H2 TIP3 5604 -27.068 -18.826 -24.030 1.00 0.00 WAT +ATOM 23123 OH2 TIP3 5605 -42.557 -14.484 -13.682 1.00 0.00 WAT +ATOM 23124 H1 TIP3 5605 -42.261 -14.292 -14.588 1.00 0.00 WAT +ATOM 23125 H2 TIP3 5605 -41.755 -14.913 -13.311 1.00 0.00 WAT +ATOM 23126 OH2 TIP3 5606 -26.747 -14.873 -8.398 1.00 0.00 WAT +ATOM 23127 H1 TIP3 5606 -26.124 -15.623 -8.368 1.00 0.00 WAT +ATOM 23128 H2 TIP3 5606 -26.138 -14.123 -8.560 1.00 0.00 WAT +ATOM 23129 OH2 TIP3 5607 -25.308 -17.041 -7.386 1.00 0.00 WAT +ATOM 23130 H1 TIP3 5607 -26.070 -17.625 -7.569 1.00 0.00 WAT +ATOM 23131 H2 TIP3 5607 -24.556 -17.659 -7.329 1.00 0.00 WAT +ATOM 23132 OH2 TIP3 5608 -27.311 -20.993 -24.763 1.00 0.00 WAT +ATOM 23133 H1 TIP3 5608 -26.847 -21.190 -23.930 1.00 0.00 WAT +ATOM 23134 H2 TIP3 5608 -28.239 -21.178 -24.540 1.00 0.00 WAT +ATOM 23135 OH2 TIP3 5609 -27.399 -18.520 -14.433 1.00 0.00 WAT +ATOM 23136 H1 TIP3 5609 -26.440 -18.571 -14.210 1.00 0.00 WAT +ATOM 23137 H2 TIP3 5609 -27.755 -18.636 -13.535 1.00 0.00 WAT +ATOM 23138 OH2 TIP3 5610 -27.169 -18.238 -11.216 1.00 0.00 WAT +ATOM 23139 H1 TIP3 5610 -28.025 -17.842 -10.980 1.00 0.00 WAT +ATOM 23140 H2 TIP3 5610 -26.643 -17.456 -11.475 1.00 0.00 WAT +ATOM 23141 OH2 TIP3 5611 -42.835 -19.537 -7.524 1.00 0.00 WAT +ATOM 23142 H1 TIP3 5611 -41.960 -19.944 -7.624 1.00 0.00 WAT +ATOM 23143 H2 TIP3 5611 -43.431 -20.292 -7.419 1.00 0.00 WAT +ATOM 23144 OH2 TIP3 5612 -24.596 -24.058 -5.898 1.00 0.00 WAT +ATOM 23145 H1 TIP3 5612 -24.211 -24.713 -6.512 1.00 0.00 WAT +ATOM 23146 H2 TIP3 5612 -24.610 -23.257 -6.462 1.00 0.00 WAT +ATOM 23147 OH2 TIP3 5613 -26.967 -22.075 -19.280 1.00 0.00 WAT +ATOM 23148 H1 TIP3 5613 -27.094 -22.528 -18.434 1.00 0.00 WAT +ATOM 23149 H2 TIP3 5613 -27.808 -22.225 -19.738 1.00 0.00 WAT +ATOM 23150 OH2 TIP3 5614 -41.953 -21.016 -14.388 1.00 0.00 WAT +ATOM 23151 H1 TIP3 5614 -41.593 -21.910 -14.461 1.00 0.00 WAT +ATOM 23152 H2 TIP3 5614 -41.154 -20.472 -14.261 1.00 0.00 WAT +ATOM 23153 OH2 TIP3 5615 -43.315 -18.372 -13.577 1.00 0.00 WAT +ATOM 23154 H1 TIP3 5615 -42.952 -18.894 -14.306 1.00 0.00 WAT +ATOM 23155 H2 TIP3 5615 -43.170 -17.470 -13.891 1.00 0.00 WAT +ATOM 23156 OH2 TIP3 5616 -25.229 -21.973 -7.654 1.00 0.00 WAT +ATOM 23157 H1 TIP3 5616 -26.106 -21.553 -7.597 1.00 0.00 WAT +ATOM 23158 H2 TIP3 5616 -25.339 -22.497 -8.468 1.00 0.00 WAT +ATOM 23159 OH2 TIP3 5617 -25.169 -21.774 -22.890 1.00 0.00 WAT +ATOM 23160 H1 TIP3 5617 -24.850 -22.607 -23.273 1.00 0.00 WAT +ATOM 23161 H2 TIP3 5617 -24.345 -21.288 -22.733 1.00 0.00 WAT +ATOM 23162 OH2 TIP3 5618 -43.140 -22.268 -20.088 1.00 0.00 WAT +ATOM 23163 H1 TIP3 5618 -43.989 -21.982 -20.455 1.00 0.00 WAT +ATOM 23164 H2 TIP3 5618 -42.558 -21.539 -20.398 1.00 0.00 WAT +ATOM 23165 OH2 TIP3 5619 -28.284 -6.919 -17.506 1.00 0.00 WAT +ATOM 23166 H1 TIP3 5619 -27.838 -7.108 -18.349 1.00 0.00 WAT +ATOM 23167 H2 TIP3 5619 -27.650 -6.325 -17.086 1.00 0.00 WAT +ATOM 23168 OH2 TIP3 5620 -42.909 -23.300 -11.710 1.00 0.00 WAT +ATOM 23169 H1 TIP3 5620 -43.601 -23.386 -11.012 1.00 0.00 WAT +ATOM 23170 H2 TIP3 5620 -43.347 -22.819 -12.429 1.00 0.00 WAT +ATOM 23171 OH2 TIP3 5621 -41.158 -9.841 -6.925 1.00 0.00 WAT +ATOM 23172 H1 TIP3 5621 -41.681 -10.387 -7.519 1.00 0.00 WAT +ATOM 23173 H2 TIP3 5621 -41.449 -10.152 -6.040 1.00 0.00 WAT +ATOM 23174 OH2 TIP3 5622 -38.021 -9.083 -11.090 1.00 0.00 WAT +ATOM 23175 H1 TIP3 5622 -38.330 -8.260 -11.510 1.00 0.00 WAT +ATOM 23176 H2 TIP3 5622 -37.064 -9.016 -11.287 1.00 0.00 WAT +ATOM 23177 OH2 TIP3 5623 -33.512 -7.836 -8.155 1.00 0.00 WAT +ATOM 23178 H1 TIP3 5623 -33.365 -7.986 -7.202 1.00 0.00 WAT +ATOM 23179 H2 TIP3 5623 -32.720 -7.310 -8.395 1.00 0.00 WAT +ATOM 23180 OH2 TIP3 5624 -31.270 -6.370 -8.860 1.00 0.00 WAT +ATOM 23181 H1 TIP3 5624 -30.544 -6.940 -9.149 1.00 0.00 WAT +ATOM 23182 H2 TIP3 5624 -30.905 -6.002 -8.031 1.00 0.00 WAT +ATOM 23183 OH2 TIP3 5625 -26.420 -23.774 -9.675 1.00 0.00 WAT +ATOM 23184 H1 TIP3 5625 -27.212 -23.606 -10.215 1.00 0.00 WAT +ATOM 23185 H2 TIP3 5625 -26.156 -24.662 -10.000 1.00 0.00 WAT +ATOM 23186 OH2 TIP3 5626 -40.694 -6.072 -10.873 1.00 0.00 WAT +ATOM 23187 H1 TIP3 5626 -41.366 -5.578 -11.380 1.00 0.00 WAT +ATOM 23188 H2 TIP3 5626 -41.023 -5.960 -9.974 1.00 0.00 WAT +ATOM 23189 OH2 TIP3 5627 -38.171 -6.393 -12.232 1.00 0.00 WAT +ATOM 23190 H1 TIP3 5627 -39.043 -6.204 -11.830 1.00 0.00 WAT +ATOM 23191 H2 TIP3 5627 -38.146 -5.747 -12.961 1.00 0.00 WAT +ATOM 23192 OH2 TIP3 5628 -33.383 -6.417 -12.689 1.00 0.00 WAT +ATOM 23193 H1 TIP3 5628 -33.781 -5.988 -13.469 1.00 0.00 WAT +ATOM 23194 H2 TIP3 5628 -33.317 -5.664 -12.071 1.00 0.00 WAT +ATOM 23195 OH2 TIP3 5629 -30.985 -7.651 -11.758 1.00 0.00 WAT +ATOM 23196 H1 TIP3 5629 -31.827 -7.291 -12.099 1.00 0.00 WAT +ATOM 23197 H2 TIP3 5629 -30.422 -6.857 -11.774 1.00 0.00 WAT +ATOM 23198 OH2 TIP3 5630 -28.573 -5.978 -11.418 1.00 0.00 WAT +ATOM 23199 H1 TIP3 5630 -28.378 -5.025 -11.465 1.00 0.00 WAT +ATOM 23200 H2 TIP3 5630 -28.142 -6.287 -12.228 1.00 0.00 WAT +ATOM 23201 OH2 TIP3 5631 -41.256 -7.310 -13.886 1.00 0.00 WAT +ATOM 23202 H1 TIP3 5631 -41.332 -7.781 -13.032 1.00 0.00 WAT +ATOM 23203 H2 TIP3 5631 -40.508 -7.787 -14.297 1.00 0.00 WAT +ATOM 23204 OH2 TIP3 5632 -39.131 -8.590 -15.273 1.00 0.00 WAT +ATOM 23205 H1 TIP3 5632 -39.249 -9.537 -15.057 1.00 0.00 WAT +ATOM 23206 H2 TIP3 5632 -38.194 -8.442 -15.051 1.00 0.00 WAT +ATOM 23207 OH2 TIP3 5633 -36.268 -8.141 -14.535 1.00 0.00 WAT +ATOM 23208 H1 TIP3 5633 -36.108 -9.067 -14.780 1.00 0.00 WAT +ATOM 23209 H2 TIP3 5633 -36.257 -8.201 -13.569 1.00 0.00 WAT +ATOM 23210 OH2 TIP3 5634 -32.992 -22.260 -15.267 1.00 0.00 WAT +ATOM 23211 H1 TIP3 5634 -33.660 -22.953 -15.100 1.00 0.00 WAT +ATOM 23212 H2 TIP3 5634 -32.355 -22.735 -15.827 1.00 0.00 WAT +ATOM 23213 OH2 TIP3 5635 -28.036 -24.143 -14.731 1.00 0.00 WAT +ATOM 23214 H1 TIP3 5635 -27.225 -23.831 -15.169 1.00 0.00 WAT +ATOM 23215 H2 TIP3 5635 -28.732 -23.966 -15.379 1.00 0.00 WAT +ATOM 23216 OH2 TIP3 5636 -25.914 -23.149 -16.793 1.00 0.00 WAT +ATOM 23217 H1 TIP3 5636 -25.253 -23.579 -17.366 1.00 0.00 WAT +ATOM 23218 H2 TIP3 5636 -25.599 -22.225 -16.801 1.00 0.00 WAT +ATOM 23219 OH2 TIP3 5637 -41.077 -23.693 -17.683 1.00 0.00 WAT +ATOM 23220 H1 TIP3 5637 -41.802 -23.965 -18.260 1.00 0.00 WAT +ATOM 23221 H2 TIP3 5637 -40.450 -24.427 -17.806 1.00 0.00 WAT +ATOM 23222 OH2 TIP3 5638 -41.818 -24.086 -21.890 1.00 0.00 WAT +ATOM 23223 H1 TIP3 5638 -41.302 -23.418 -22.382 1.00 0.00 WAT +ATOM 23224 H2 TIP3 5638 -42.331 -23.520 -21.284 1.00 0.00 WAT +ATOM 23225 OH2 TIP3 5639 -36.154 -23.727 -17.782 1.00 0.00 WAT +ATOM 23226 H1 TIP3 5639 -35.248 -23.432 -17.968 1.00 0.00 WAT +ATOM 23227 H2 TIP3 5639 -36.126 -23.829 -16.823 1.00 0.00 WAT +ATOM 23228 OH2 TIP3 5640 -30.577 -23.654 -16.429 1.00 0.00 WAT +ATOM 23229 H1 TIP3 5640 -30.266 -23.851 -17.324 1.00 0.00 WAT +ATOM 23230 H2 TIP3 5640 -30.906 -24.528 -16.146 1.00 0.00 WAT +ATOM 23231 OH2 TIP3 5641 -29.483 -23.622 -20.282 1.00 0.00 WAT +ATOM 23232 H1 TIP3 5641 -30.231 -23.127 -20.649 1.00 0.00 WAT +ATOM 23233 H2 TIP3 5641 -29.820 -24.531 -20.257 1.00 0.00 WAT +ATOM 23234 OH2 TIP3 5642 -40.059 -22.205 -23.341 1.00 0.00 WAT +ATOM 23235 H1 TIP3 5642 -39.474 -22.779 -23.865 1.00 0.00 WAT +ATOM 23236 H2 TIP3 5642 -39.441 -21.898 -22.648 1.00 0.00 WAT +ATOM 23237 OH2 TIP3 5643 -35.070 -22.074 -20.741 1.00 0.00 WAT +ATOM 23238 H1 TIP3 5643 -34.630 -22.625 -20.078 1.00 0.00 WAT +ATOM 23239 H2 TIP3 5643 -34.770 -21.195 -20.464 1.00 0.00 WAT +ATOM 23240 OH2 TIP3 5644 -32.941 -6.277 -22.534 1.00 0.00 WAT +ATOM 23241 H1 TIP3 5644 -31.966 -6.272 -22.549 1.00 0.00 WAT +ATOM 23242 H2 TIP3 5644 -33.123 -6.937 -23.222 1.00 0.00 WAT +ATOM 23243 OH2 TIP3 5645 -26.424 -7.200 -19.905 1.00 0.00 WAT +ATOM 23244 H1 TIP3 5645 -26.653 -8.026 -20.368 1.00 0.00 WAT +ATOM 23245 H2 TIP3 5645 -26.458 -6.555 -20.633 1.00 0.00 WAT +ATOM 23246 OH2 TIP3 5646 -40.787 -23.300 -8.174 1.00 0.00 WAT +ATOM 23247 H1 TIP3 5646 -41.244 -24.056 -7.769 1.00 0.00 WAT +ATOM 23248 H2 TIP3 5646 -39.873 -23.453 -7.875 1.00 0.00 WAT +ATOM 23249 OH2 TIP3 5647 -38.432 -23.922 -6.411 1.00 0.00 WAT +ATOM 23250 H1 TIP3 5647 -37.614 -24.279 -6.815 1.00 0.00 WAT +ATOM 23251 H2 TIP3 5647 -38.771 -24.714 -5.958 1.00 0.00 WAT +ATOM 23252 OH2 TIP3 5648 -40.115 -7.084 -24.021 1.00 0.00 WAT +ATOM 23253 H1 TIP3 5648 -40.452 -6.925 -23.108 1.00 0.00 WAT +ATOM 23254 H2 TIP3 5648 -39.457 -7.775 -23.842 1.00 0.00 WAT +ATOM 23255 OH2 TIP3 5649 -30.301 -24.816 -6.234 1.00 0.00 WAT +ATOM 23256 H1 TIP3 5649 -30.262 -25.246 -5.359 1.00 0.00 WAT +ATOM 23257 H2 TIP3 5649 -29.368 -24.871 -6.515 1.00 0.00 WAT +ATOM 23258 OH2 TIP3 5650 -26.799 -8.614 -7.558 1.00 0.00 WAT +ATOM 23259 H1 TIP3 5650 -27.150 -8.584 -8.451 1.00 0.00 WAT +ATOM 23260 H2 TIP3 5650 -26.566 -7.680 -7.418 1.00 0.00 WAT +ATOM 23261 OH2 TIP3 5651 -12.571 -14.775 -17.549 1.00 0.00 WAT +ATOM 23262 H1 TIP3 5651 -12.746 -13.881 -17.216 1.00 0.00 WAT +ATOM 23263 H2 TIP3 5651 -13.458 -15.030 -17.839 1.00 0.00 WAT +ATOM 23264 OH2 TIP3 5652 -21.382 -15.877 -12.692 1.00 0.00 WAT +ATOM 23265 H1 TIP3 5652 -21.398 -16.592 -12.032 1.00 0.00 WAT +ATOM 23266 H2 TIP3 5652 -20.705 -15.295 -12.319 1.00 0.00 WAT +ATOM 23267 OH2 TIP3 5653 -20.487 -11.181 -14.115 1.00 0.00 WAT +ATOM 23268 H1 TIP3 5653 -20.834 -12.072 -14.306 1.00 0.00 WAT +ATOM 23269 H2 TIP3 5653 -19.621 -11.395 -13.750 1.00 0.00 WAT +ATOM 23270 OH2 TIP3 5654 -23.886 -17.804 -18.729 1.00 0.00 WAT +ATOM 23271 H1 TIP3 5654 -24.123 -16.875 -18.849 1.00 0.00 WAT +ATOM 23272 H2 TIP3 5654 -24.447 -18.246 -19.391 1.00 0.00 WAT +ATOM 23273 OH2 TIP3 5655 -23.114 -15.299 -17.068 1.00 0.00 WAT +ATOM 23274 H1 TIP3 5655 -22.928 -16.068 -16.496 1.00 0.00 WAT +ATOM 23275 H2 TIP3 5655 -22.227 -15.077 -17.381 1.00 0.00 WAT +ATOM 23276 OH2 TIP3 5656 -11.900 -18.491 -13.272 1.00 0.00 WAT +ATOM 23277 H1 TIP3 5656 -11.963 -19.456 -13.262 1.00 0.00 WAT +ATOM 23278 H2 TIP3 5656 -12.099 -18.260 -14.195 1.00 0.00 WAT +ATOM 23279 OH2 TIP3 5657 -19.106 -20.517 -16.193 1.00 0.00 WAT +ATOM 23280 H1 TIP3 5657 -19.002 -19.656 -16.642 1.00 0.00 WAT +ATOM 23281 H2 TIP3 5657 -19.482 -21.044 -16.923 1.00 0.00 WAT +ATOM 23282 OH2 TIP3 5658 -11.009 -20.665 -17.950 1.00 0.00 WAT +ATOM 23283 H1 TIP3 5658 -10.654 -20.585 -17.047 1.00 0.00 WAT +ATOM 23284 H2 TIP3 5658 -10.789 -19.798 -18.325 1.00 0.00 WAT +ATOM 23285 OH2 TIP3 5659 -22.457 -17.792 -15.662 1.00 0.00 WAT +ATOM 23286 H1 TIP3 5659 -21.812 -18.238 -15.088 1.00 0.00 WAT +ATOM 23287 H2 TIP3 5659 -22.345 -18.279 -16.496 1.00 0.00 WAT +ATOM 23288 OH2 TIP3 5660 -17.117 -16.410 -16.097 1.00 0.00 WAT +ATOM 23289 H1 TIP3 5660 -16.356 -16.899 -15.714 1.00 0.00 WAT +ATOM 23290 H2 TIP3 5660 -17.575 -17.115 -16.587 1.00 0.00 WAT +ATOM 23291 OH2 TIP3 5661 -20.466 -21.639 -11.815 1.00 0.00 WAT +ATOM 23292 H1 TIP3 5661 -20.815 -21.137 -12.564 1.00 0.00 WAT +ATOM 23293 H2 TIP3 5661 -21.153 -21.502 -11.149 1.00 0.00 WAT +ATOM 23294 OH2 TIP3 5662 -12.748 -11.868 -18.633 1.00 0.00 WAT +ATOM 23295 H1 TIP3 5662 -13.176 -12.208 -19.425 1.00 0.00 WAT +ATOM 23296 H2 TIP3 5662 -13.313 -11.104 -18.415 1.00 0.00 WAT +ATOM 23297 OH2 TIP3 5663 -9.290 -21.293 -15.672 1.00 0.00 WAT +ATOM 23298 H1 TIP3 5663 -9.863 -21.526 -14.916 1.00 0.00 WAT +ATOM 23299 H2 TIP3 5663 -8.816 -20.541 -15.273 1.00 0.00 WAT +ATOM 23300 OH2 TIP3 5664 -20.727 -19.677 -14.072 1.00 0.00 WAT +ATOM 23301 H1 TIP3 5664 -20.089 -19.103 -13.596 1.00 0.00 WAT +ATOM 23302 H2 TIP3 5664 -20.138 -20.060 -14.757 1.00 0.00 WAT +ATOM 23303 OH2 TIP3 5665 -23.133 -12.211 -20.251 1.00 0.00 WAT +ATOM 23304 H1 TIP3 5665 -23.291 -11.728 -21.079 1.00 0.00 WAT +ATOM 23305 H2 TIP3 5665 -22.898 -11.492 -19.622 1.00 0.00 WAT +ATOM 23306 OH2 TIP3 5666 -16.221 -24.191 -14.952 1.00 0.00 WAT +ATOM 23307 H1 TIP3 5666 -16.429 -25.145 -14.958 1.00 0.00 WAT +ATOM 23308 H2 TIP3 5666 -17.028 -23.822 -14.535 1.00 0.00 WAT +ATOM 23309 OH2 TIP3 5667 -11.608 -8.810 -17.097 1.00 0.00 WAT +ATOM 23310 H1 TIP3 5667 -10.942 -9.510 -17.130 1.00 0.00 WAT +ATOM 23311 H2 TIP3 5667 -11.058 -8.046 -16.852 1.00 0.00 WAT +ATOM 23312 OH2 TIP3 5668 -9.784 -11.108 -18.245 1.00 0.00 WAT +ATOM 23313 H1 TIP3 5668 -10.419 -11.395 -18.918 1.00 0.00 WAT +ATOM 23314 H2 TIP3 5668 -10.143 -11.503 -17.451 1.00 0.00 WAT +ATOM 23315 OH2 TIP3 5669 -14.118 -15.352 -20.165 1.00 0.00 WAT +ATOM 23316 H1 TIP3 5669 -14.775 -14.701 -20.483 1.00 0.00 WAT +ATOM 23317 H2 TIP3 5669 -13.407 -15.247 -20.815 1.00 0.00 WAT +ATOM 23318 OH2 TIP3 5670 -13.799 -17.108 -23.090 1.00 0.00 WAT +ATOM 23319 H1 TIP3 5670 -13.105 -16.785 -22.489 1.00 0.00 WAT +ATOM 23320 H2 TIP3 5670 -13.281 -17.666 -23.688 1.00 0.00 WAT +ATOM 23321 OH2 TIP3 5671 -10.444 -15.487 -19.090 1.00 0.00 WAT +ATOM 23322 H1 TIP3 5671 -11.187 -15.136 -18.542 1.00 0.00 WAT +ATOM 23323 H2 TIP3 5671 -10.140 -16.206 -18.526 1.00 0.00 WAT +ATOM 23324 OH2 TIP3 5672 -19.002 -14.542 -17.308 1.00 0.00 WAT +ATOM 23325 H1 TIP3 5672 -19.279 -14.997 -18.124 1.00 0.00 WAT +ATOM 23326 H2 TIP3 5672 -18.354 -15.163 -16.931 1.00 0.00 WAT +ATOM 23327 OH2 TIP3 5673 -18.344 -15.346 -13.696 1.00 0.00 WAT +ATOM 23328 H1 TIP3 5673 -17.775 -15.541 -14.465 1.00 0.00 WAT +ATOM 23329 H2 TIP3 5673 -17.705 -15.054 -13.036 1.00 0.00 WAT +ATOM 23330 OH2 TIP3 5674 -11.594 -15.898 -21.598 1.00 0.00 WAT +ATOM 23331 H1 TIP3 5674 -11.096 -15.629 -20.800 1.00 0.00 WAT +ATOM 23332 H2 TIP3 5674 -11.121 -15.374 -22.293 1.00 0.00 WAT +ATOM 23333 OH2 TIP3 5675 -20.570 -14.985 -9.888 1.00 0.00 WAT +ATOM 23334 H1 TIP3 5675 -20.525 -14.445 -9.068 1.00 0.00 WAT +ATOM 23335 H2 TIP3 5675 -21.534 -15.072 -9.973 1.00 0.00 WAT +ATOM 23336 OH2 TIP3 5676 -14.331 -9.256 -17.923 1.00 0.00 WAT +ATOM 23337 H1 TIP3 5676 -13.563 -8.974 -17.399 1.00 0.00 WAT +ATOM 23338 H2 TIP3 5676 -14.693 -8.424 -18.255 1.00 0.00 WAT +ATOM 23339 OH2 TIP3 5677 -8.310 -24.052 -21.862 1.00 0.00 WAT +ATOM 23340 H1 TIP3 5677 -9.246 -23.878 -21.702 1.00 0.00 WAT +ATOM 23341 H2 TIP3 5677 -7.945 -23.176 -22.072 1.00 0.00 WAT +ATOM 23342 OH2 TIP3 5678 -20.049 -15.788 -19.780 1.00 0.00 WAT +ATOM 23343 H1 TIP3 5678 -20.273 -15.021 -20.332 1.00 0.00 WAT +ATOM 23344 H2 TIP3 5678 -20.713 -16.435 -20.047 1.00 0.00 WAT +ATOM 23345 OH2 TIP3 5679 -6.770 -9.973 -23.499 1.00 0.00 WAT +ATOM 23346 H1 TIP3 5679 -6.626 -9.027 -23.294 1.00 0.00 WAT +ATOM 23347 H2 TIP3 5679 -5.878 -10.336 -23.348 1.00 0.00 WAT +ATOM 23348 OH2 TIP3 5680 -23.754 -12.948 -11.115 1.00 0.00 WAT +ATOM 23349 H1 TIP3 5680 -24.358 -13.060 -11.859 1.00 0.00 WAT +ATOM 23350 H2 TIP3 5680 -23.657 -13.842 -10.752 1.00 0.00 WAT +ATOM 23351 OH2 TIP3 5681 -23.926 -10.160 -14.047 1.00 0.00 WAT +ATOM 23352 H1 TIP3 5681 -23.012 -10.469 -13.963 1.00 0.00 WAT +ATOM 23353 H2 TIP3 5681 -23.981 -9.522 -13.330 1.00 0.00 WAT +ATOM 23354 OH2 TIP3 5682 -14.598 -6.224 -19.469 1.00 0.00 WAT +ATOM 23355 H1 TIP3 5682 -14.632 -6.353 -20.430 1.00 0.00 WAT +ATOM 23356 H2 TIP3 5682 -14.385 -5.288 -19.397 1.00 0.00 WAT +ATOM 23357 OH2 TIP3 5683 -20.754 -7.310 -17.963 1.00 0.00 WAT +ATOM 23358 H1 TIP3 5683 -20.743 -7.585 -17.029 1.00 0.00 WAT +ATOM 23359 H2 TIP3 5683 -21.681 -7.407 -18.198 1.00 0.00 WAT +ATOM 23360 OH2 TIP3 5684 -11.383 -7.115 -22.429 1.00 0.00 WAT +ATOM 23361 H1 TIP3 5684 -10.757 -7.754 -22.815 1.00 0.00 WAT +ATOM 23362 H2 TIP3 5684 -11.414 -7.419 -21.495 1.00 0.00 WAT +ATOM 23363 OH2 TIP3 5685 -11.956 -7.693 -19.663 1.00 0.00 WAT +ATOM 23364 H1 TIP3 5685 -12.848 -7.423 -19.399 1.00 0.00 WAT +ATOM 23365 H2 TIP3 5685 -11.715 -8.258 -18.904 1.00 0.00 WAT +ATOM 23366 OH2 TIP3 5686 -18.655 -22.990 -13.958 1.00 0.00 WAT +ATOM 23367 H1 TIP3 5686 -19.484 -23.085 -14.461 1.00 0.00 WAT +ATOM 23368 H2 TIP3 5686 -18.901 -22.277 -13.348 1.00 0.00 WAT +ATOM 23369 OH2 TIP3 5687 -14.162 -23.658 -10.423 1.00 0.00 WAT +ATOM 23370 H1 TIP3 5687 -13.658 -24.075 -9.689 1.00 0.00 WAT +ATOM 23371 H2 TIP3 5687 -15.087 -23.828 -10.152 1.00 0.00 WAT +ATOM 23372 OH2 TIP3 5688 -10.074 -14.795 -23.594 1.00 0.00 WAT +ATOM 23373 H1 TIP3 5688 -10.292 -14.941 -24.534 1.00 0.00 WAT +ATOM 23374 H2 TIP3 5688 -9.143 -14.517 -23.663 1.00 0.00 WAT +ATOM 23375 OH2 TIP3 5689 -14.427 -21.010 -23.083 1.00 0.00 WAT +ATOM 23376 H1 TIP3 5689 -14.973 -21.149 -22.292 1.00 0.00 WAT +ATOM 23377 H2 TIP3 5689 -14.831 -21.659 -23.684 1.00 0.00 WAT +ATOM 23378 OH2 TIP3 5690 -18.786 -18.255 -12.616 1.00 0.00 WAT +ATOM 23379 H1 TIP3 5690 -19.287 -18.220 -11.783 1.00 0.00 WAT +ATOM 23380 H2 TIP3 5690 -18.718 -17.314 -12.855 1.00 0.00 WAT +ATOM 23381 OH2 TIP3 5691 -18.811 -18.223 -17.743 1.00 0.00 WAT +ATOM 23382 H1 TIP3 5691 -19.772 -18.308 -17.892 1.00 0.00 WAT +ATOM 23383 H2 TIP3 5691 -18.475 -18.415 -18.639 1.00 0.00 WAT +ATOM 23384 OH2 TIP3 5692 -13.219 -17.685 -18.956 1.00 0.00 WAT +ATOM 23385 H1 TIP3 5692 -13.657 -16.861 -19.268 1.00 0.00 WAT +ATOM 23386 H2 TIP3 5692 -12.531 -17.790 -19.630 1.00 0.00 WAT +ATOM 23387 OH2 TIP3 5693 -12.201 -18.063 -16.119 1.00 0.00 WAT +ATOM 23388 H1 TIP3 5693 -12.487 -17.417 -16.787 1.00 0.00 WAT +ATOM 23389 H2 TIP3 5693 -12.166 -18.872 -16.628 1.00 0.00 WAT +ATOM 23390 OH2 TIP3 5694 -21.431 -18.313 -10.761 1.00 0.00 WAT +ATOM 23391 H1 TIP3 5694 -21.151 -17.969 -9.903 1.00 0.00 WAT +ATOM 23392 H2 TIP3 5694 -22.036 -19.022 -10.509 1.00 0.00 WAT +ATOM 23393 OH2 TIP3 5695 -18.003 -20.527 -24.225 1.00 0.00 WAT +ATOM 23394 H1 TIP3 5695 -18.358 -20.881 -23.383 1.00 0.00 WAT +ATOM 23395 H2 TIP3 5695 -18.806 -20.417 -24.748 1.00 0.00 WAT +ATOM 23396 OH2 TIP3 5696 -24.594 -20.608 -17.098 1.00 0.00 WAT +ATOM 23397 H1 TIP3 5696 -23.955 -20.701 -16.368 1.00 0.00 WAT +ATOM 23398 H2 TIP3 5696 -24.139 -21.012 -17.853 1.00 0.00 WAT +ATOM 23399 OH2 TIP3 5697 -22.990 -20.221 -21.425 1.00 0.00 WAT +ATOM 23400 H1 TIP3 5697 -22.462 -19.722 -22.078 1.00 0.00 WAT +ATOM 23401 H2 TIP3 5697 -23.729 -19.600 -21.262 1.00 0.00 WAT +ATOM 23402 OH2 TIP3 5698 -13.462 -16.693 -11.395 1.00 0.00 WAT +ATOM 23403 H1 TIP3 5698 -12.740 -16.948 -11.997 1.00 0.00 WAT +ATOM 23404 H2 TIP3 5698 -13.508 -17.451 -10.803 1.00 0.00 WAT +ATOM 23405 OH2 TIP3 5699 -16.023 -20.650 -16.685 1.00 0.00 WAT +ATOM 23406 H1 TIP3 5699 -16.978 -20.639 -16.489 1.00 0.00 WAT +ATOM 23407 H2 TIP3 5699 -15.661 -20.777 -15.793 1.00 0.00 WAT +ATOM 23408 OH2 TIP3 5700 -21.464 -19.374 -18.057 1.00 0.00 WAT +ATOM 23409 H1 TIP3 5700 -22.321 -19.167 -18.470 1.00 0.00 WAT +ATOM 23410 H2 TIP3 5700 -21.188 -20.190 -18.516 1.00 0.00 WAT +ATOM 23411 OH2 TIP3 5701 -17.816 -19.077 -20.371 1.00 0.00 WAT +ATOM 23412 H1 TIP3 5701 -16.860 -18.924 -20.345 1.00 0.00 WAT +ATOM 23413 H2 TIP3 5701 -18.129 -18.481 -21.075 1.00 0.00 WAT +ATOM 23414 OH2 TIP3 5702 -11.615 -21.669 -13.659 1.00 0.00 WAT +ATOM 23415 H1 TIP3 5702 -12.060 -21.502 -12.802 1.00 0.00 WAT +ATOM 23416 H2 TIP3 5702 -12.389 -21.889 -14.209 1.00 0.00 WAT +ATOM 23417 OH2 TIP3 5703 -19.393 -17.822 -22.570 1.00 0.00 WAT +ATOM 23418 H1 TIP3 5703 -19.995 -18.117 -23.270 1.00 0.00 WAT +ATOM 23419 H2 TIP3 5703 -18.589 -17.626 -23.081 1.00 0.00 WAT +ATOM 23420 OH2 TIP3 5704 -20.659 -13.475 -7.499 1.00 0.00 WAT +ATOM 23421 H1 TIP3 5704 -20.029 -13.287 -6.766 1.00 0.00 WAT +ATOM 23422 H2 TIP3 5704 -21.469 -13.128 -7.104 1.00 0.00 WAT +ATOM 23423 OH2 TIP3 5705 -15.060 -18.043 -14.910 1.00 0.00 WAT +ATOM 23424 H1 TIP3 5705 -14.294 -18.459 -15.315 1.00 0.00 WAT +ATOM 23425 H2 TIP3 5705 -15.090 -18.471 -14.034 1.00 0.00 WAT +ATOM 23426 OH2 TIP3 5706 -19.744 -21.674 -18.740 1.00 0.00 WAT +ATOM 23427 H1 TIP3 5706 -20.325 -22.437 -18.569 1.00 0.00 WAT +ATOM 23428 H2 TIP3 5706 -18.940 -22.098 -19.066 1.00 0.00 WAT +ATOM 23429 OH2 TIP3 5707 -15.916 -19.515 -12.563 1.00 0.00 WAT +ATOM 23430 H1 TIP3 5707 -16.726 -18.982 -12.514 1.00 0.00 WAT +ATOM 23431 H2 TIP3 5707 -15.448 -19.306 -11.746 1.00 0.00 WAT +ATOM 23432 OH2 TIP3 5708 -15.896 -13.262 -20.755 1.00 0.00 WAT +ATOM 23433 H1 TIP3 5708 -16.672 -13.749 -21.105 1.00 0.00 WAT +ATOM 23434 H2 TIP3 5708 -16.131 -13.159 -19.801 1.00 0.00 WAT +ATOM 23435 OH2 TIP3 5709 -11.757 -20.365 -22.968 1.00 0.00 WAT +ATOM 23436 H1 TIP3 5709 -12.740 -20.410 -22.990 1.00 0.00 WAT +ATOM 23437 H2 TIP3 5709 -11.580 -19.668 -22.308 1.00 0.00 WAT +ATOM 23438 OH2 TIP3 5710 -10.961 -18.593 -20.824 1.00 0.00 WAT +ATOM 23439 H1 TIP3 5710 -10.043 -18.667 -20.508 1.00 0.00 WAT +ATOM 23440 H2 TIP3 5710 -10.957 -17.723 -21.266 1.00 0.00 WAT +ATOM 23441 OH2 TIP3 5711 -20.883 -13.940 -14.989 1.00 0.00 WAT +ATOM 23442 H1 TIP3 5711 -20.223 -13.970 -15.703 1.00 0.00 WAT +ATOM 23443 H2 TIP3 5711 -20.656 -14.733 -14.478 1.00 0.00 WAT +ATOM 23444 OH2 TIP3 5712 -13.531 -11.873 -21.840 1.00 0.00 WAT +ATOM 23445 H1 TIP3 5712 -13.753 -11.017 -21.422 1.00 0.00 WAT +ATOM 23446 H2 TIP3 5712 -14.281 -12.421 -21.544 1.00 0.00 WAT +ATOM 23447 OH2 TIP3 5713 -23.530 -15.603 -9.648 1.00 0.00 WAT +ATOM 23448 H1 TIP3 5713 -23.343 -16.013 -8.779 1.00 0.00 WAT +ATOM 23449 H2 TIP3 5713 -24.147 -16.227 -10.053 1.00 0.00 WAT +ATOM 23450 OH2 TIP3 5714 -6.502 -18.583 -21.017 1.00 0.00 WAT +ATOM 23451 H1 TIP3 5714 -6.980 -18.668 -21.864 1.00 0.00 WAT +ATOM 23452 H2 TIP3 5714 -6.255 -17.643 -21.070 1.00 0.00 WAT +ATOM 23453 OH2 TIP3 5715 -8.239 -9.795 -20.887 1.00 0.00 WAT +ATOM 23454 H1 TIP3 5715 -8.508 -10.587 -20.398 1.00 0.00 WAT +ATOM 23455 H2 TIP3 5715 -7.779 -10.147 -21.659 1.00 0.00 WAT +ATOM 23456 OH2 TIP3 5716 -18.364 -10.551 -17.616 1.00 0.00 WAT +ATOM 23457 H1 TIP3 5716 -17.951 -9.680 -17.669 1.00 0.00 WAT +ATOM 23458 H2 TIP3 5716 -19.294 -10.341 -17.764 1.00 0.00 WAT +ATOM 23459 OH2 TIP3 5717 -22.451 -15.691 -23.131 1.00 0.00 WAT +ATOM 23460 H1 TIP3 5717 -21.866 -15.050 -22.686 1.00 0.00 WAT +ATOM 23461 H2 TIP3 5717 -23.308 -15.500 -22.700 1.00 0.00 WAT +ATOM 23462 OH2 TIP3 5718 -16.593 -12.849 -18.117 1.00 0.00 WAT +ATOM 23463 H1 TIP3 5718 -16.855 -11.948 -17.856 1.00 0.00 WAT +ATOM 23464 H2 TIP3 5718 -17.238 -13.363 -17.607 1.00 0.00 WAT +ATOM 23465 OH2 TIP3 5719 -18.060 -7.493 -18.486 1.00 0.00 WAT +ATOM 23466 H1 TIP3 5719 -19.026 -7.387 -18.347 1.00 0.00 WAT +ATOM 23467 H2 TIP3 5719 -17.713 -6.733 -18.007 1.00 0.00 WAT +ATOM 23468 OH2 TIP3 5720 -10.803 -11.583 -23.180 1.00 0.00 WAT +ATOM 23469 H1 TIP3 5720 -10.403 -12.026 -22.409 1.00 0.00 WAT +ATOM 23470 H2 TIP3 5720 -11.742 -11.696 -22.951 1.00 0.00 WAT +ATOM 23471 OH2 TIP3 5721 -6.037 -7.284 -22.661 1.00 0.00 WAT +ATOM 23472 H1 TIP3 5721 -5.490 -6.599 -23.075 1.00 0.00 WAT +ATOM 23473 H2 TIP3 5721 -6.844 -6.759 -22.495 1.00 0.00 WAT +ATOM 23474 OH2 TIP3 5722 -9.779 -12.911 -20.783 1.00 0.00 WAT +ATOM 23475 H1 TIP3 5722 -10.097 -13.647 -20.243 1.00 0.00 WAT +ATOM 23476 H2 TIP3 5722 -8.820 -12.954 -20.613 1.00 0.00 WAT +ATOM 23477 OH2 TIP3 5723 -16.592 -10.511 -24.637 1.00 0.00 WAT +ATOM 23478 H1 TIP3 5723 -16.301 -11.308 -25.115 1.00 0.00 WAT +ATOM 23479 H2 TIP3 5723 -17.010 -10.901 -23.848 1.00 0.00 WAT +ATOM 23480 OH2 TIP3 5724 -17.728 -10.980 -21.929 1.00 0.00 WAT +ATOM 23481 H1 TIP3 5724 -17.261 -11.515 -21.272 1.00 0.00 WAT +ATOM 23482 H2 TIP3 5724 -17.605 -10.074 -21.576 1.00 0.00 WAT +ATOM 23483 OH2 TIP3 5725 -20.950 -13.544 -21.537 1.00 0.00 WAT +ATOM 23484 H1 TIP3 5725 -21.640 -13.150 -20.969 1.00 0.00 WAT +ATOM 23485 H2 TIP3 5725 -20.447 -12.752 -21.791 1.00 0.00 WAT +ATOM 23486 OH2 TIP3 5726 -13.042 -20.862 -11.257 1.00 0.00 WAT +ATOM 23487 H1 TIP3 5726 -12.600 -20.680 -10.420 1.00 0.00 WAT +ATOM 23488 H2 TIP3 5726 -13.715 -21.505 -10.977 1.00 0.00 WAT +ATOM 23489 OH2 TIP3 5727 -12.399 -21.826 -20.190 1.00 0.00 WAT +ATOM 23490 H1 TIP3 5727 -12.413 -21.326 -21.018 1.00 0.00 WAT +ATOM 23491 H2 TIP3 5727 -12.036 -21.194 -19.553 1.00 0.00 WAT +ATOM 23492 OH2 TIP3 5728 -14.801 -9.314 -21.242 1.00 0.00 WAT +ATOM 23493 H1 TIP3 5728 -15.651 -8.859 -21.116 1.00 0.00 WAT +ATOM 23494 H2 TIP3 5728 -14.438 -8.855 -22.010 1.00 0.00 WAT +ATOM 23495 OH2 TIP3 5729 -15.081 -19.750 -19.265 1.00 0.00 WAT +ATOM 23496 H1 TIP3 5729 -14.425 -19.033 -19.141 1.00 0.00 WAT +ATOM 23497 H2 TIP3 5729 -15.470 -19.816 -18.372 1.00 0.00 WAT +ATOM 23498 OH2 TIP3 5730 -14.470 -22.643 -18.234 1.00 0.00 WAT +ATOM 23499 H1 TIP3 5730 -14.810 -21.893 -17.708 1.00 0.00 WAT +ATOM 23500 H2 TIP3 5730 -13.868 -22.197 -18.861 1.00 0.00 WAT +ATOM 23501 OH2 TIP3 5731 -17.573 -8.274 -21.248 1.00 0.00 WAT +ATOM 23502 H1 TIP3 5731 -17.680 -7.462 -21.782 1.00 0.00 WAT +ATOM 23503 H2 TIP3 5731 -17.787 -7.947 -20.350 1.00 0.00 WAT +ATOM 23504 OH2 TIP3 5732 -18.874 -21.615 -21.849 1.00 0.00 WAT +ATOM 23505 H1 TIP3 5732 -18.877 -20.888 -21.203 1.00 0.00 WAT +ATOM 23506 H2 TIP3 5732 -18.084 -22.116 -21.570 1.00 0.00 WAT +ATOM 23507 OH2 TIP3 5733 -20.485 -10.745 -22.774 1.00 0.00 WAT +ATOM 23508 H1 TIP3 5733 -19.767 -10.244 -22.351 1.00 0.00 WAT +ATOM 23509 H2 TIP3 5733 -19.966 -11.251 -23.419 1.00 0.00 WAT +ATOM 23510 OH2 TIP3 5734 -22.317 -18.545 -23.665 1.00 0.00 WAT +ATOM 23511 H1 TIP3 5734 -22.228 -17.605 -23.429 1.00 0.00 WAT +ATOM 23512 H2 TIP3 5734 -23.219 -18.585 -24.005 1.00 0.00 WAT +ATOM 23513 OH2 TIP3 5735 -21.387 -23.520 -14.847 1.00 0.00 WAT +ATOM 23514 H1 TIP3 5735 -21.600 -23.570 -15.798 1.00 0.00 WAT +ATOM 23515 H2 TIP3 5735 -21.718 -24.377 -14.510 1.00 0.00 WAT +ATOM 23516 OH2 TIP3 5736 -22.465 -10.014 -18.620 1.00 0.00 WAT +ATOM 23517 H1 TIP3 5736 -23.170 -9.463 -18.260 1.00 0.00 WAT +ATOM 23518 H2 TIP3 5736 -22.030 -9.398 -19.232 1.00 0.00 WAT +ATOM 23519 OH2 TIP3 5737 -14.378 -8.805 -24.125 1.00 0.00 WAT +ATOM 23520 H1 TIP3 5737 -15.134 -9.424 -24.221 1.00 0.00 WAT +ATOM 23521 H2 TIP3 5737 -13.664 -9.352 -24.487 1.00 0.00 WAT +ATOM 23522 OH2 TIP3 5738 -9.737 -8.931 -24.039 1.00 0.00 WAT +ATOM 23523 H1 TIP3 5738 -9.585 -9.747 -23.538 1.00 0.00 WAT +ATOM 23524 H2 TIP3 5738 -8.930 -8.861 -24.577 1.00 0.00 WAT +ATOM 23525 OH2 TIP3 5739 -23.449 -13.174 -6.131 1.00 0.00 WAT +ATOM 23526 H1 TIP3 5739 -23.218 -14.060 -6.430 1.00 0.00 WAT +ATOM 23527 H2 TIP3 5739 -23.974 -12.805 -6.853 1.00 0.00 WAT +ATOM 23528 OH2 TIP3 5740 -18.947 -13.078 -24.296 1.00 0.00 WAT +ATOM 23529 H1 TIP3 5740 -18.788 -13.665 -23.538 1.00 0.00 WAT +ATOM 23530 H2 TIP3 5740 -18.079 -13.113 -24.740 1.00 0.00 WAT +ATOM 23531 OH2 TIP3 5741 -13.700 -11.743 -24.677 1.00 0.00 WAT +ATOM 23532 H1 TIP3 5741 -13.753 -11.784 -23.705 1.00 0.00 WAT +ATOM 23533 H2 TIP3 5741 -13.756 -12.699 -24.889 1.00 0.00 WAT +ATOM 23534 OH2 TIP3 5742 -22.329 -16.514 -7.096 1.00 0.00 WAT +ATOM 23535 H1 TIP3 5742 -21.870 -17.347 -6.970 1.00 0.00 WAT +ATOM 23536 H2 TIP3 5742 -22.315 -16.168 -6.180 1.00 0.00 WAT +ATOM 23537 OH2 TIP3 5743 -17.874 -14.985 -21.969 1.00 0.00 WAT +ATOM 23538 H1 TIP3 5743 -18.465 -15.494 -21.394 1.00 0.00 WAT +ATOM 23539 H2 TIP3 5743 -17.568 -15.677 -22.590 1.00 0.00 WAT +ATOM 23540 OH2 TIP3 5744 -18.645 -17.069 -9.701 1.00 0.00 WAT +ATOM 23541 H1 TIP3 5744 -19.165 -16.257 -9.560 1.00 0.00 WAT +ATOM 23542 H2 TIP3 5744 -17.886 -16.754 -10.209 1.00 0.00 WAT +ATOM 23543 OH2 TIP3 5745 -16.902 -16.976 -23.694 1.00 0.00 WAT +ATOM 23544 H1 TIP3 5745 -16.948 -16.905 -24.664 1.00 0.00 WAT +ATOM 23545 H2 TIP3 5745 -15.939 -17.006 -23.545 1.00 0.00 WAT +ATOM 23546 OH2 TIP3 5746 -7.391 -14.446 -24.387 1.00 0.00 WAT +ATOM 23547 H1 TIP3 5746 -7.488 -14.880 -25.247 1.00 0.00 WAT +ATOM 23548 H2 TIP3 5746 -7.513 -13.505 -24.639 1.00 0.00 WAT +ATOM 23549 OH2 TIP3 5747 -17.721 -21.460 -10.860 1.00 0.00 WAT +ATOM 23550 H1 TIP3 5747 -17.269 -20.849 -11.457 1.00 0.00 WAT +ATOM 23551 H2 TIP3 5747 -18.659 -21.358 -11.104 1.00 0.00 WAT +ATOM 23552 OH2 TIP3 5748 -16.174 -15.727 -11.340 1.00 0.00 WAT +ATOM 23553 H1 TIP3 5748 -15.236 -16.008 -11.407 1.00 0.00 WAT +ATOM 23554 H2 TIP3 5748 -16.064 -14.845 -10.976 1.00 0.00 WAT +ATOM 23555 OH2 TIP3 5749 -16.952 -24.074 -10.399 1.00 0.00 WAT +ATOM 23556 H1 TIP3 5749 -17.215 -23.134 -10.480 1.00 0.00 WAT +ATOM 23557 H2 TIP3 5749 -17.643 -24.518 -10.917 1.00 0.00 WAT +ATOM 23558 OH2 TIP3 5750 -17.124 -5.641 -22.561 1.00 0.00 WAT +ATOM 23559 H1 TIP3 5750 -16.159 -5.616 -22.490 1.00 0.00 WAT +ATOM 23560 H2 TIP3 5750 -17.256 -5.263 -23.439 1.00 0.00 WAT +ATOM 23561 OH2 TIP3 5751 -23.254 -11.365 -23.077 1.00 0.00 WAT +ATOM 23562 H1 TIP3 5751 -22.302 -11.176 -22.929 1.00 0.00 WAT +ATOM 23563 H2 TIP3 5751 -23.218 -12.129 -23.683 1.00 0.00 WAT +ATOM 23564 OH2 TIP3 5752 -24.238 -6.062 -18.386 1.00 0.00 WAT +ATOM 23565 H1 TIP3 5752 -24.902 -6.539 -18.916 1.00 0.00 WAT +ATOM 23566 H2 TIP3 5752 -23.980 -6.724 -17.723 1.00 0.00 WAT +ATOM 23567 OH2 TIP3 5753 -23.873 -8.078 -16.251 1.00 0.00 WAT +ATOM 23568 H1 TIP3 5753 -24.091 -8.965 -15.919 1.00 0.00 WAT +ATOM 23569 H2 TIP3 5753 -23.478 -7.703 -15.445 1.00 0.00 WAT +ATOM 23570 OH2 TIP3 5754 -6.984 -13.325 -20.233 1.00 0.00 WAT +ATOM 23571 H1 TIP3 5754 -6.108 -12.913 -20.096 1.00 0.00 WAT +ATOM 23572 H2 TIP3 5754 -6.966 -14.010 -19.535 1.00 0.00 WAT +ATOM 23573 OH2 TIP3 5755 -6.562 -15.317 -18.363 1.00 0.00 WAT +ATOM 23574 H1 TIP3 5755 -7.093 -16.023 -17.986 1.00 0.00 WAT +ATOM 23575 H2 TIP3 5755 -5.818 -15.234 -17.754 1.00 0.00 WAT +ATOM 23576 OH2 TIP3 5756 -6.191 -15.626 -21.943 1.00 0.00 WAT +ATOM 23577 H1 TIP3 5756 -6.722 -15.347 -22.714 1.00 0.00 WAT +ATOM 23578 H2 TIP3 5756 -6.383 -14.908 -21.318 1.00 0.00 WAT +ATOM 23579 OH2 TIP3 5757 -7.973 -18.141 -23.563 1.00 0.00 WAT +ATOM 23580 H1 TIP3 5757 -7.740 -17.533 -24.277 1.00 0.00 WAT +ATOM 23581 H2 TIP3 5757 -8.224 -18.951 -24.051 1.00 0.00 WAT +ATOM 23582 OH2 TIP3 5758 -23.774 -14.819 -13.944 1.00 0.00 WAT +ATOM 23583 H1 TIP3 5758 -23.461 -14.714 -14.856 1.00 0.00 WAT +ATOM 23584 H2 TIP3 5758 -22.924 -15.014 -13.498 1.00 0.00 WAT +ATOM 23585 OH2 TIP3 5759 -8.556 -20.766 -24.403 1.00 0.00 WAT +ATOM 23586 H1 TIP3 5759 -7.958 -21.295 -23.845 1.00 0.00 WAT +ATOM 23587 H2 TIP3 5759 -9.347 -21.317 -24.503 1.00 0.00 WAT +ATOM 23588 OH2 TIP3 5760 -8.624 -19.367 -19.233 1.00 0.00 WAT +ATOM 23589 H1 TIP3 5760 -8.469 -20.291 -19.429 1.00 0.00 WAT +ATOM 23590 H2 TIP3 5760 -7.794 -18.963 -19.544 1.00 0.00 WAT +ATOM 23591 OH2 TIP3 5761 -23.483 -19.508 -7.559 1.00 0.00 WAT +ATOM 23592 H1 TIP3 5761 -22.639 -19.884 -7.298 1.00 0.00 WAT +ATOM 23593 H2 TIP3 5761 -24.060 -20.289 -7.526 1.00 0.00 WAT +ATOM 23594 OH2 TIP3 5762 -23.122 -21.088 -14.691 1.00 0.00 WAT +ATOM 23595 H1 TIP3 5762 -22.694 -21.959 -14.610 1.00 0.00 WAT +ATOM 23596 H2 TIP3 5762 -22.413 -20.510 -14.353 1.00 0.00 WAT +ATOM 23597 OH2 TIP3 5763 -24.620 -18.311 -13.775 1.00 0.00 WAT +ATOM 23598 H1 TIP3 5763 -23.932 -18.465 -14.441 1.00 0.00 WAT +ATOM 23599 H2 TIP3 5763 -24.212 -17.605 -13.256 1.00 0.00 WAT +ATOM 23600 OH2 TIP3 5764 -6.423 -21.875 -22.801 1.00 0.00 WAT +ATOM 23601 H1 TIP3 5764 -6.006 -22.630 -23.252 1.00 0.00 WAT +ATOM 23602 H2 TIP3 5764 -5.639 -21.332 -22.578 1.00 0.00 WAT +ATOM 23603 OH2 TIP3 5765 -24.123 -22.106 -19.679 1.00 0.00 WAT +ATOM 23604 H1 TIP3 5765 -25.089 -21.954 -19.753 1.00 0.00 WAT +ATOM 23605 H2 TIP3 5765 -23.746 -21.460 -20.305 1.00 0.00 WAT +ATOM 23606 OH2 TIP3 5766 -9.351 -6.868 -17.561 1.00 0.00 WAT +ATOM 23607 H1 TIP3 5766 -8.750 -7.161 -18.266 1.00 0.00 WAT +ATOM 23608 H2 TIP3 5766 -8.768 -6.381 -16.979 1.00 0.00 WAT +ATOM 23609 OH2 TIP3 5767 -24.008 -23.119 -11.495 1.00 0.00 WAT +ATOM 23610 H1 TIP3 5767 -24.689 -23.509 -10.934 1.00 0.00 WAT +ATOM 23611 H2 TIP3 5767 -24.541 -22.758 -12.217 1.00 0.00 WAT +ATOM 23612 OH2 TIP3 5768 -22.512 -7.349 -13.720 1.00 0.00 WAT +ATOM 23613 H1 TIP3 5768 -22.100 -7.477 -12.855 1.00 0.00 WAT +ATOM 23614 H2 TIP3 5768 -21.717 -7.283 -14.276 1.00 0.00 WAT +ATOM 23615 OH2 TIP3 5769 -20.270 -8.590 -15.371 1.00 0.00 WAT +ATOM 23616 H1 TIP3 5769 -20.385 -9.514 -15.069 1.00 0.00 WAT +ATOM 23617 H2 TIP3 5769 -19.351 -8.429 -15.061 1.00 0.00 WAT +ATOM 23618 OH2 TIP3 5770 -17.682 -8.335 -14.447 1.00 0.00 WAT +ATOM 23619 H1 TIP3 5770 -16.987 -8.924 -14.765 1.00 0.00 WAT +ATOM 23620 H2 TIP3 5770 -17.287 -8.019 -13.625 1.00 0.00 WAT +ATOM 23621 OH2 TIP3 5771 -14.019 -22.306 -15.159 1.00 0.00 WAT +ATOM 23622 H1 TIP3 5771 -14.789 -22.890 -15.006 1.00 0.00 WAT +ATOM 23623 H2 TIP3 5771 -13.619 -22.729 -15.926 1.00 0.00 WAT +ATOM 23624 OH2 TIP3 5772 -8.740 -24.275 -15.272 1.00 0.00 WAT +ATOM 23625 H1 TIP3 5772 -8.086 -23.570 -15.377 1.00 0.00 WAT +ATOM 23626 H2 TIP3 5772 -9.598 -23.832 -15.314 1.00 0.00 WAT +ATOM 23627 OH2 TIP3 5773 -21.760 -23.551 -17.713 1.00 0.00 WAT +ATOM 23628 H1 TIP3 5773 -22.632 -23.704 -18.129 1.00 0.00 WAT +ATOM 23629 H2 TIP3 5773 -21.349 -24.429 -17.815 1.00 0.00 WAT +ATOM 23630 OH2 TIP3 5774 -22.971 -24.057 -21.804 1.00 0.00 WAT +ATOM 23631 H1 TIP3 5774 -22.460 -23.384 -22.289 1.00 0.00 WAT +ATOM 23632 H2 TIP3 5774 -23.390 -23.530 -21.102 1.00 0.00 WAT +ATOM 23633 OH2 TIP3 5775 -17.270 -23.681 -17.821 1.00 0.00 WAT +ATOM 23634 H1 TIP3 5775 -16.324 -23.483 -17.881 1.00 0.00 WAT +ATOM 23635 H2 TIP3 5775 -17.374 -23.793 -16.867 1.00 0.00 WAT +ATOM 23636 OH2 TIP3 5776 -11.408 -23.791 -16.586 1.00 0.00 WAT +ATOM 23637 H1 TIP3 5776 -11.923 -23.970 -17.386 1.00 0.00 WAT +ATOM 23638 H2 TIP3 5776 -11.841 -24.428 -15.980 1.00 0.00 WAT +ATOM 23639 OH2 TIP3 5777 -22.752 -8.072 -20.674 1.00 0.00 WAT +ATOM 23640 H1 TIP3 5777 -23.420 -8.134 -21.372 1.00 0.00 WAT +ATOM 23641 H2 TIP3 5777 -22.759 -7.121 -20.496 1.00 0.00 WAT +ATOM 23642 OH2 TIP3 5778 -21.234 -22.221 -23.374 1.00 0.00 WAT +ATOM 23643 H1 TIP3 5778 -20.631 -22.806 -23.861 1.00 0.00 WAT +ATOM 23644 H2 TIP3 5778 -20.649 -21.904 -22.659 1.00 0.00 WAT +ATOM 23645 OH2 TIP3 5779 -16.058 -22.054 -20.783 1.00 0.00 WAT +ATOM 23646 H1 TIP3 5779 -15.869 -22.672 -20.064 1.00 0.00 WAT +ATOM 23647 H2 TIP3 5779 -15.953 -21.200 -20.333 1.00 0.00 WAT +ATOM 23648 OH2 TIP3 5780 -14.109 -6.261 -22.508 1.00 0.00 WAT +ATOM 23649 H1 TIP3 5780 -13.132 -6.256 -22.513 1.00 0.00 WAT +ATOM 23650 H2 TIP3 5780 -14.278 -6.956 -23.164 1.00 0.00 WAT +ATOM 23651 OH2 TIP3 5781 -7.196 -7.226 -19.596 1.00 0.00 WAT +ATOM 23652 H1 TIP3 5781 -7.487 -7.983 -20.133 1.00 0.00 WAT +ATOM 23653 H2 TIP3 5781 -7.249 -6.485 -20.213 1.00 0.00 WAT +ATOM 23654 OH2 TIP3 5782 -21.807 -23.194 -7.555 1.00 0.00 WAT +ATOM 23655 H1 TIP3 5782 -22.200 -24.075 -7.653 1.00 0.00 WAT +ATOM 23656 H2 TIP3 5782 -20.976 -23.285 -8.029 1.00 0.00 WAT +ATOM 23657 OH2 TIP3 5783 -21.336 -7.170 -23.833 1.00 0.00 WAT +ATOM 23658 H1 TIP3 5783 -21.576 -6.886 -22.939 1.00 0.00 WAT +ATOM 23659 H2 TIP3 5783 -20.550 -7.716 -23.671 1.00 0.00 WAT +ATOM 23660 OH2 TIP3 5784 12.214 -21.220 -12.954 1.00 0.00 WAT +ATOM 23661 H1 TIP3 5784 12.294 -20.436 -12.395 1.00 0.00 WAT +ATOM 23662 H2 TIP3 5784 12.782 -20.962 -13.704 1.00 0.00 WAT +ATOM 23663 OH2 TIP3 5785 6.817 -18.477 -13.295 1.00 0.00 WAT +ATOM 23664 H1 TIP3 5785 6.842 -19.444 -13.210 1.00 0.00 WAT +ATOM 23665 H2 TIP3 5785 6.461 -18.371 -14.193 1.00 0.00 WAT +ATOM 23666 OH2 TIP3 5786 -0.366 -20.514 -16.127 1.00 0.00 WAT +ATOM 23667 H1 TIP3 5786 -0.130 -19.664 -16.562 1.00 0.00 WAT +ATOM 23668 H2 TIP3 5786 -0.656 -21.020 -16.909 1.00 0.00 WAT +ATOM 23669 OH2 TIP3 5787 7.575 -20.371 -17.930 1.00 0.00 WAT +ATOM 23670 H1 TIP3 5787 8.094 -20.747 -17.189 1.00 0.00 WAT +ATOM 23671 H2 TIP3 5787 8.238 -19.797 -18.334 1.00 0.00 WAT +ATOM 23672 OH2 TIP3 5788 -1.516 -21.540 -12.161 1.00 0.00 WAT +ATOM 23673 H1 TIP3 5788 -1.794 -20.825 -12.770 1.00 0.00 WAT +ATOM 23674 H2 TIP3 5788 -2.154 -21.391 -11.432 1.00 0.00 WAT +ATOM 23675 OH2 TIP3 5789 9.452 -21.066 -15.774 1.00 0.00 WAT +ATOM 23676 H1 TIP3 5789 8.987 -21.639 -15.150 1.00 0.00 WAT +ATOM 23677 H2 TIP3 5789 9.897 -20.443 -15.173 1.00 0.00 WAT +ATOM 23678 OH2 TIP3 5790 -1.879 -19.515 -14.000 1.00 0.00 WAT +ATOM 23679 H1 TIP3 5790 -1.484 -18.720 -13.600 1.00 0.00 WAT +ATOM 23680 H2 TIP3 5790 -1.280 -19.712 -14.747 1.00 0.00 WAT +ATOM 23681 OH2 TIP3 5791 -4.317 -12.350 -20.264 1.00 0.00 WAT +ATOM 23682 H1 TIP3 5791 -4.475 -11.858 -21.079 1.00 0.00 WAT +ATOM 23683 H2 TIP3 5791 -4.118 -11.640 -19.614 1.00 0.00 WAT +ATOM 23684 OH2 TIP3 5792 9.531 -21.974 -12.006 1.00 0.00 WAT +ATOM 23685 H1 TIP3 5792 8.751 -21.561 -12.421 1.00 0.00 WAT +ATOM 23686 H2 TIP3 5792 10.247 -21.737 -12.618 1.00 0.00 WAT +ATOM 23687 OH2 TIP3 5793 2.651 -24.230 -14.983 1.00 0.00 WAT +ATOM 23688 H1 TIP3 5793 2.426 -25.177 -14.986 1.00 0.00 WAT +ATOM 23689 H2 TIP3 5793 1.857 -23.836 -14.561 1.00 0.00 WAT +ATOM 23690 OH2 TIP3 5794 8.949 -11.385 -18.498 1.00 0.00 WAT +ATOM 23691 H1 TIP3 5794 8.074 -11.193 -18.853 1.00 0.00 WAT +ATOM 23692 H2 TIP3 5794 8.845 -11.069 -17.584 1.00 0.00 WAT +ATOM 23693 OH2 TIP3 5795 4.466 -14.686 -20.127 1.00 0.00 WAT +ATOM 23694 H1 TIP3 5795 3.786 -14.696 -20.805 1.00 0.00 WAT +ATOM 23695 H2 TIP3 5795 5.275 -14.913 -20.598 1.00 0.00 WAT +ATOM 23696 OH2 TIP3 5796 5.057 -17.002 -23.065 1.00 0.00 WAT +ATOM 23697 H1 TIP3 5796 5.779 -16.840 -22.445 1.00 0.00 WAT +ATOM 23698 H2 TIP3 5796 5.452 -17.667 -23.648 1.00 0.00 WAT +ATOM 23699 OH2 TIP3 5797 7.294 -15.442 -21.263 1.00 0.00 WAT +ATOM 23700 H1 TIP3 5797 7.911 -15.978 -20.758 1.00 0.00 WAT +ATOM 23701 H2 TIP3 5797 7.799 -15.228 -22.083 1.00 0.00 WAT +ATOM 23702 OH2 TIP3 5798 10.651 -24.099 -22.123 1.00 0.00 WAT +ATOM 23703 H1 TIP3 5798 9.785 -23.991 -21.687 1.00 0.00 WAT +ATOM 23704 H2 TIP3 5798 11.015 -23.202 -22.066 1.00 0.00 WAT +ATOM 23705 OH2 TIP3 5799 12.023 -9.879 -23.477 1.00 0.00 WAT +ATOM 23706 H1 TIP3 5799 12.196 -8.928 -23.329 1.00 0.00 WAT +ATOM 23707 H2 TIP3 5799 12.912 -10.268 -23.354 1.00 0.00 WAT +ATOM 23708 OH2 TIP3 5800 -2.103 -7.462 -17.864 1.00 0.00 WAT +ATOM 23709 H1 TIP3 5800 -1.890 -7.630 -16.940 1.00 0.00 WAT +ATOM 23710 H2 TIP3 5800 -3.013 -7.731 -17.934 1.00 0.00 WAT +ATOM 23711 OH2 TIP3 5801 7.777 -7.045 -22.183 1.00 0.00 WAT +ATOM 23712 H1 TIP3 5801 8.037 -7.724 -22.834 1.00 0.00 WAT +ATOM 23713 H2 TIP3 5801 7.379 -7.594 -21.502 1.00 0.00 WAT +ATOM 23714 OH2 TIP3 5802 0.268 -23.073 -13.978 1.00 0.00 WAT +ATOM 23715 H1 TIP3 5802 -0.527 -23.159 -14.536 1.00 0.00 WAT +ATOM 23716 H2 TIP3 5802 -0.007 -22.317 -13.429 1.00 0.00 WAT +ATOM 23717 OH2 TIP3 5803 4.633 -23.556 -10.436 1.00 0.00 WAT +ATOM 23718 H1 TIP3 5803 5.133 -24.016 -9.736 1.00 0.00 WAT +ATOM 23719 H2 TIP3 5803 3.710 -23.821 -10.260 1.00 0.00 WAT +ATOM 23720 OH2 TIP3 5804 7.778 -19.714 -9.936 1.00 0.00 WAT +ATOM 23721 H1 TIP3 5804 7.255 -19.905 -9.135 1.00 0.00 WAT +ATOM 23722 H2 TIP3 5804 7.620 -18.772 -10.067 1.00 0.00 WAT +ATOM 23723 OH2 TIP3 5805 8.805 -14.881 -23.505 1.00 0.00 WAT +ATOM 23724 H1 TIP3 5805 8.506 -15.014 -24.428 1.00 0.00 WAT +ATOM 23725 H2 TIP3 5805 9.735 -14.637 -23.672 1.00 0.00 WAT +ATOM 23726 OH2 TIP3 5806 4.416 -20.981 -23.103 1.00 0.00 WAT +ATOM 23727 H1 TIP3 5806 3.918 -21.131 -22.284 1.00 0.00 WAT +ATOM 23728 H2 TIP3 5806 4.017 -21.659 -23.675 1.00 0.00 WAT +ATOM 23729 OH2 TIP3 5807 0.183 -18.329 -17.579 1.00 0.00 WAT +ATOM 23730 H1 TIP3 5807 -0.639 -17.826 -17.665 1.00 0.00 WAT +ATOM 23731 H2 TIP3 5807 0.537 -18.271 -18.474 1.00 0.00 WAT +ATOM 23732 OH2 TIP3 5808 5.663 -17.457 -18.936 1.00 0.00 WAT +ATOM 23733 H1 TIP3 5808 5.105 -16.758 -19.314 1.00 0.00 WAT +ATOM 23734 H2 TIP3 5808 6.261 -17.693 -19.663 1.00 0.00 WAT +ATOM 23735 OH2 TIP3 5809 4.503 -17.528 -7.553 1.00 0.00 WAT +ATOM 23736 H1 TIP3 5809 4.010 -18.253 -7.131 1.00 0.00 WAT +ATOM 23737 H2 TIP3 5809 5.342 -17.507 -7.071 1.00 0.00 WAT +ATOM 23738 OH2 TIP3 5810 6.363 -18.161 -16.118 1.00 0.00 WAT +ATOM 23739 H1 TIP3 5810 6.014 -17.662 -16.876 1.00 0.00 WAT +ATOM 23740 H2 TIP3 5810 6.454 -19.042 -16.509 1.00 0.00 WAT +ATOM 23741 OH2 TIP3 5811 -2.199 -18.255 -11.167 1.00 0.00 WAT +ATOM 23742 H1 TIP3 5811 -2.126 -17.543 -10.517 1.00 0.00 WAT +ATOM 23743 H2 TIP3 5811 -2.864 -18.839 -10.781 1.00 0.00 WAT +ATOM 23744 OH2 TIP3 5812 0.860 -20.566 -24.222 1.00 0.00 WAT +ATOM 23745 H1 TIP3 5812 0.510 -20.859 -23.356 1.00 0.00 WAT +ATOM 23746 H2 TIP3 5812 0.051 -20.391 -24.717 1.00 0.00 WAT +ATOM 23747 OH2 TIP3 5813 -4.253 -20.328 -21.591 1.00 0.00 WAT +ATOM 23748 H1 TIP3 5813 -3.550 -19.843 -22.062 1.00 0.00 WAT +ATOM 23749 H2 TIP3 5813 -4.729 -19.600 -21.162 1.00 0.00 WAT +ATOM 23750 OH2 TIP3 5814 5.786 -16.506 -11.307 1.00 0.00 WAT +ATOM 23751 H1 TIP3 5814 6.096 -17.057 -12.040 1.00 0.00 WAT +ATOM 23752 H2 TIP3 5814 5.057 -17.041 -10.944 1.00 0.00 WAT +ATOM 23753 OH2 TIP3 5815 2.789 -20.662 -16.719 1.00 0.00 WAT +ATOM 23754 H1 TIP3 5815 1.853 -20.591 -16.467 1.00 0.00 WAT +ATOM 23755 H2 TIP3 5815 3.211 -20.712 -15.844 1.00 0.00 WAT +ATOM 23756 OH2 TIP3 5816 -2.762 -19.064 -18.639 1.00 0.00 WAT +ATOM 23757 H1 TIP3 5816 -3.636 -19.244 -18.303 1.00 0.00 WAT +ATOM 23758 H2 TIP3 5816 -2.288 -19.906 -18.533 1.00 0.00 WAT +ATOM 23759 OH2 TIP3 5817 1.031 -19.183 -20.466 1.00 0.00 WAT +ATOM 23760 H1 TIP3 5817 1.951 -18.948 -20.269 1.00 0.00 WAT +ATOM 23761 H2 TIP3 5817 0.710 -18.457 -21.030 1.00 0.00 WAT +ATOM 23762 OH2 TIP3 5818 7.177 -21.518 -13.713 1.00 0.00 WAT +ATOM 23763 H1 TIP3 5818 6.571 -21.477 -12.941 1.00 0.00 WAT +ATOM 23764 H2 TIP3 5818 6.546 -21.817 -14.392 1.00 0.00 WAT +ATOM 23765 OH2 TIP3 5819 -0.557 -17.798 -22.554 1.00 0.00 WAT +ATOM 23766 H1 TIP3 5819 -1.038 -18.076 -23.346 1.00 0.00 WAT +ATOM 23767 H2 TIP3 5819 0.253 -17.412 -22.933 1.00 0.00 WAT +ATOM 23768 OH2 TIP3 5820 -1.004 -21.589 -18.624 1.00 0.00 WAT +ATOM 23769 H1 TIP3 5820 -1.529 -22.403 -18.533 1.00 0.00 WAT +ATOM 23770 H2 TIP3 5820 -0.201 -21.897 -19.064 1.00 0.00 WAT +ATOM 23771 OH2 TIP3 5821 2.414 -19.415 -12.700 1.00 0.00 WAT +ATOM 23772 H1 TIP3 5821 1.781 -18.700 -12.591 1.00 0.00 WAT +ATOM 23773 H2 TIP3 5821 3.150 -19.120 -12.139 1.00 0.00 WAT +ATOM 23774 OH2 TIP3 5822 7.087 -20.420 -22.930 1.00 0.00 WAT +ATOM 23775 H1 TIP3 5822 6.106 -20.470 -22.996 1.00 0.00 WAT +ATOM 23776 H2 TIP3 5822 7.236 -19.673 -22.329 1.00 0.00 WAT +ATOM 23777 OH2 TIP3 5823 7.799 -18.421 -20.899 1.00 0.00 WAT +ATOM 23778 H1 TIP3 5823 8.616 -18.767 -20.481 1.00 0.00 WAT +ATOM 23779 H2 TIP3 5823 8.150 -17.889 -21.622 1.00 0.00 WAT +ATOM 23780 OH2 TIP3 5824 12.331 -18.568 -21.163 1.00 0.00 WAT +ATOM 23781 H1 TIP3 5824 11.829 -18.798 -21.969 1.00 0.00 WAT +ATOM 23782 H2 TIP3 5824 12.480 -17.624 -21.332 1.00 0.00 WAT +ATOM 23783 OH2 TIP3 5825 10.538 -9.813 -20.919 1.00 0.00 WAT +ATOM 23784 H1 TIP3 5825 10.479 -10.615 -20.387 1.00 0.00 WAT +ATOM 23785 H2 TIP3 5825 11.064 -10.081 -21.689 1.00 0.00 WAT +ATOM 23786 OH2 TIP3 5826 7.699 -14.558 -13.774 1.00 0.00 WAT +ATOM 23787 H1 TIP3 5826 6.950 -15.022 -13.400 1.00 0.00 WAT +ATOM 23788 H2 TIP3 5826 8.404 -15.209 -13.773 1.00 0.00 WAT +ATOM 23789 OH2 TIP3 5827 -3.445 -15.507 -22.939 1.00 0.00 WAT +ATOM 23790 H1 TIP3 5827 -2.937 -14.854 -22.442 1.00 0.00 WAT +ATOM 23791 H2 TIP3 5827 -4.346 -15.362 -22.594 1.00 0.00 WAT +ATOM 23792 OH2 TIP3 5828 8.257 -11.651 -22.865 1.00 0.00 WAT +ATOM 23793 H1 TIP3 5828 8.272 -12.160 -22.052 1.00 0.00 WAT +ATOM 23794 H2 TIP3 5828 7.311 -11.678 -23.100 1.00 0.00 WAT +ATOM 23795 OH2 TIP3 5829 12.573 -7.156 -22.656 1.00 0.00 WAT +ATOM 23796 H1 TIP3 5829 13.290 -6.559 -22.930 1.00 0.00 WAT +ATOM 23797 H2 TIP3 5829 11.870 -6.507 -22.554 1.00 0.00 WAT +ATOM 23798 OH2 TIP3 5830 -3.425 -20.860 -10.177 1.00 0.00 WAT +ATOM 23799 H1 TIP3 5830 -4.330 -20.558 -10.322 1.00 0.00 WAT +ATOM 23800 H2 TIP3 5830 -3.550 -21.697 -9.704 1.00 0.00 WAT +ATOM 23801 OH2 TIP3 5831 2.970 -10.513 -24.563 1.00 0.00 WAT +ATOM 23802 H1 TIP3 5831 2.856 -11.266 -25.171 1.00 0.00 WAT +ATOM 23803 H2 TIP3 5831 2.165 -10.563 -24.044 1.00 0.00 WAT +ATOM 23804 OH2 TIP3 5832 5.608 -21.056 -11.503 1.00 0.00 WAT +ATOM 23805 H1 TIP3 5832 6.194 -20.741 -10.797 1.00 0.00 WAT +ATOM 23806 H2 TIP3 5832 5.123 -21.781 -11.063 1.00 0.00 WAT +ATOM 23807 OH2 TIP3 5833 6.256 -21.643 -20.220 1.00 0.00 WAT +ATOM 23808 H1 TIP3 5833 6.464 -21.126 -21.012 1.00 0.00 WAT +ATOM 23809 H2 TIP3 5833 6.715 -21.151 -19.514 1.00 0.00 WAT +ATOM 23810 OH2 TIP3 5834 3.693 -19.591 -19.270 1.00 0.00 WAT +ATOM 23811 H1 TIP3 5834 4.465 -19.046 -19.037 1.00 0.00 WAT +ATOM 23812 H2 TIP3 5834 3.338 -19.815 -18.387 1.00 0.00 WAT +ATOM 23813 OH2 TIP3 5835 4.044 -18.442 -10.146 1.00 0.00 WAT +ATOM 23814 H1 TIP3 5835 4.031 -18.046 -9.246 1.00 0.00 WAT +ATOM 23815 H2 TIP3 5835 4.461 -19.292 -9.963 1.00 0.00 WAT +ATOM 23816 OH2 TIP3 5836 4.225 -22.635 -18.357 1.00 0.00 WAT +ATOM 23817 H1 TIP3 5836 4.031 -21.971 -17.665 1.00 0.00 WAT +ATOM 23818 H2 TIP3 5836 4.970 -22.211 -18.827 1.00 0.00 WAT +ATOM 23819 OH2 TIP3 5837 -0.037 -21.606 -21.793 1.00 0.00 WAT +ATOM 23820 H1 TIP3 5837 0.009 -20.813 -21.223 1.00 0.00 WAT +ATOM 23821 H2 TIP3 5837 0.778 -22.068 -21.517 1.00 0.00 WAT +ATOM 23822 OH2 TIP3 5838 10.449 -20.730 -9.419 1.00 0.00 WAT +ATOM 23823 H1 TIP3 5838 9.499 -20.543 -9.373 1.00 0.00 WAT +ATOM 23824 H2 TIP3 5838 10.534 -20.991 -10.340 1.00 0.00 WAT +ATOM 23825 OH2 TIP3 5839 8.881 -17.042 -15.496 1.00 0.00 WAT +ATOM 23826 H1 TIP3 5839 7.960 -17.364 -15.487 1.00 0.00 WAT +ATOM 23827 H2 TIP3 5839 9.280 -17.594 -14.795 1.00 0.00 WAT +ATOM 23828 OH2 TIP3 5840 -3.442 -18.467 -23.702 1.00 0.00 WAT +ATOM 23829 H1 TIP3 5840 -3.307 -17.579 -23.335 1.00 0.00 WAT +ATOM 23830 H2 TIP3 5840 -4.379 -18.479 -23.921 1.00 0.00 WAT +ATOM 23831 OH2 TIP3 5841 10.140 -7.851 -14.247 1.00 0.00 WAT +ATOM 23832 H1 TIP3 5841 9.231 -7.694 -13.920 1.00 0.00 WAT +ATOM 23833 H2 TIP3 5841 10.640 -7.846 -13.421 1.00 0.00 WAT +ATOM 23834 OH2 TIP3 5842 -2.362 -23.712 -14.971 1.00 0.00 WAT +ATOM 23835 H1 TIP3 5842 -2.778 -23.578 -15.841 1.00 0.00 WAT +ATOM 23836 H2 TIP3 5842 -2.865 -24.450 -14.586 1.00 0.00 WAT +ATOM 23837 OH2 TIP3 5843 -3.802 -10.068 -18.712 1.00 0.00 WAT +ATOM 23838 H1 TIP3 5843 -4.515 -9.483 -18.431 1.00 0.00 WAT +ATOM 23839 H2 TIP3 5843 -3.217 -9.439 -19.164 1.00 0.00 WAT +ATOM 23840 OH2 TIP3 5844 9.024 -8.945 -23.994 1.00 0.00 WAT +ATOM 23841 H1 TIP3 5844 9.196 -9.759 -23.491 1.00 0.00 WAT +ATOM 23842 H2 TIP3 5844 9.823 -8.875 -24.545 1.00 0.00 WAT +ATOM 23843 OH2 TIP3 5845 5.585 -11.992 -24.454 1.00 0.00 WAT +ATOM 23844 H1 TIP3 5845 4.881 -11.665 -23.878 1.00 0.00 WAT +ATOM 23845 H2 TIP3 5845 5.245 -12.876 -24.717 1.00 0.00 WAT +ATOM 23846 OH2 TIP3 5846 1.967 -16.783 -23.543 1.00 0.00 WAT +ATOM 23847 H1 TIP3 5846 1.886 -16.680 -24.503 1.00 0.00 WAT +ATOM 23848 H2 TIP3 5846 2.929 -16.754 -23.414 1.00 0.00 WAT +ATOM 23849 OH2 TIP3 5847 11.460 -14.513 -24.415 1.00 0.00 WAT +ATOM 23850 H1 TIP3 5847 11.271 -14.891 -25.295 1.00 0.00 WAT +ATOM 23851 H2 TIP3 5847 11.407 -13.559 -24.631 1.00 0.00 WAT +ATOM 23852 OH2 TIP3 5848 0.762 -19.655 -8.627 1.00 0.00 WAT +ATOM 23853 H1 TIP3 5848 0.792 -20.339 -9.314 1.00 0.00 WAT +ATOM 23854 H2 TIP3 5848 0.539 -18.863 -9.139 1.00 0.00 WAT +ATOM 23855 OH2 TIP3 5849 1.166 -21.450 -11.190 1.00 0.00 WAT +ATOM 23856 H1 TIP3 5849 1.648 -20.864 -11.811 1.00 0.00 WAT +ATOM 23857 H2 TIP3 5849 0.239 -21.354 -11.482 1.00 0.00 WAT +ATOM 23858 OH2 TIP3 5850 7.397 -18.271 -6.242 1.00 0.00 WAT +ATOM 23859 H1 TIP3 5850 7.598 -19.177 -5.976 1.00 0.00 WAT +ATOM 23860 H2 TIP3 5850 8.145 -17.763 -5.919 1.00 0.00 WAT +ATOM 23861 OH2 TIP3 5851 -0.942 -18.404 -6.315 1.00 0.00 WAT +ATOM 23862 H1 TIP3 5851 -1.735 -18.830 -6.693 1.00 0.00 WAT +ATOM 23863 H2 TIP3 5851 -0.377 -18.292 -7.087 1.00 0.00 WAT +ATOM 23864 OH2 TIP3 5852 1.864 -24.113 -10.777 1.00 0.00 WAT +ATOM 23865 H1 TIP3 5852 1.701 -23.155 -10.930 1.00 0.00 WAT +ATOM 23866 H2 TIP3 5852 1.136 -24.508 -11.288 1.00 0.00 WAT +ATOM 23867 OH2 TIP3 5853 3.068 -19.834 -7.038 1.00 0.00 WAT +ATOM 23868 H1 TIP3 5853 2.691 -19.831 -6.146 1.00 0.00 WAT +ATOM 23869 H2 TIP3 5853 2.247 -19.761 -7.574 1.00 0.00 WAT +ATOM 23870 OH2 TIP3 5854 5.734 -20.630 -8.093 1.00 0.00 WAT +ATOM 23871 H1 TIP3 5854 4.848 -20.504 -7.704 1.00 0.00 WAT +ATOM 23872 H2 TIP3 5854 6.218 -21.046 -7.354 1.00 0.00 WAT +ATOM 23873 OH2 TIP3 5855 7.645 -21.686 -6.137 1.00 0.00 WAT +ATOM 23874 H1 TIP3 5855 7.646 -22.654 -6.128 1.00 0.00 WAT +ATOM 23875 H2 TIP3 5855 7.546 -21.461 -5.192 1.00 0.00 WAT +ATOM 23876 OH2 TIP3 5856 -2.804 -20.403 -6.819 1.00 0.00 WAT +ATOM 23877 H1 TIP3 5856 -2.773 -21.033 -7.547 1.00 0.00 WAT +ATOM 23878 H2 TIP3 5856 -2.812 -20.990 -6.041 1.00 0.00 WAT +ATOM 23879 OH2 TIP3 5857 1.700 -24.640 -7.970 1.00 0.00 WAT +ATOM 23880 H1 TIP3 5857 2.254 -25.432 -7.903 1.00 0.00 WAT +ATOM 23881 H2 TIP3 5857 1.680 -24.492 -8.935 1.00 0.00 WAT +ATOM 23882 OH2 TIP3 5858 2.604 -22.903 -6.014 1.00 0.00 WAT +ATOM 23883 H1 TIP3 5858 2.303 -23.451 -6.771 1.00 0.00 WAT +ATOM 23884 H2 TIP3 5858 2.048 -22.117 -6.116 1.00 0.00 WAT +ATOM 23885 OH2 TIP3 5859 -4.203 -11.325 -23.194 1.00 0.00 WAT +ATOM 23886 H1 TIP3 5859 -3.263 -11.303 -22.960 1.00 0.00 WAT +ATOM 23887 H2 TIP3 5859 -4.263 -12.143 -23.728 1.00 0.00 WAT +ATOM 23888 OH2 TIP3 5860 12.710 -6.714 -13.334 1.00 0.00 WAT +ATOM 23889 H1 TIP3 5860 12.640 -6.677 -12.370 1.00 0.00 WAT +ATOM 23890 H2 TIP3 5860 13.642 -6.523 -13.451 1.00 0.00 WAT +ATOM 23891 OH2 TIP3 5861 12.172 -14.912 -18.470 1.00 0.00 WAT +ATOM 23892 H1 TIP3 5861 11.800 -15.690 -18.021 1.00 0.00 WAT +ATOM 23893 H2 TIP3 5861 13.019 -14.790 -17.985 1.00 0.00 WAT +ATOM 23894 OH2 TIP3 5862 12.123 -12.412 -13.155 1.00 0.00 WAT +ATOM 23895 H1 TIP3 5862 12.515 -13.169 -13.601 1.00 0.00 WAT +ATOM 23896 H2 TIP3 5862 12.162 -11.695 -13.796 1.00 0.00 WAT +ATOM 23897 OH2 TIP3 5863 12.006 -15.260 -21.514 1.00 0.00 WAT +ATOM 23898 H1 TIP3 5863 12.035 -15.164 -22.484 1.00 0.00 WAT +ATOM 23899 H2 TIP3 5863 12.704 -14.668 -21.199 1.00 0.00 WAT +ATOM 23900 OH2 TIP3 5864 10.814 -18.097 -23.628 1.00 0.00 WAT +ATOM 23901 H1 TIP3 5864 11.141 -17.590 -24.386 1.00 0.00 WAT +ATOM 23902 H2 TIP3 5864 10.603 -18.959 -24.044 1.00 0.00 WAT +ATOM 23903 OH2 TIP3 5865 9.936 -16.533 -18.007 1.00 0.00 WAT +ATOM 23904 H1 TIP3 5865 9.987 -17.491 -18.168 1.00 0.00 WAT +ATOM 23905 H2 TIP3 5865 9.606 -16.559 -17.073 1.00 0.00 WAT +ATOM 23906 OH2 TIP3 5866 10.300 -20.750 -24.356 1.00 0.00 WAT +ATOM 23907 H1 TIP3 5866 10.927 -21.291 -23.843 1.00 0.00 WAT +ATOM 23908 H2 TIP3 5866 9.561 -21.353 -24.521 1.00 0.00 WAT +ATOM 23909 OH2 TIP3 5867 10.143 -19.382 -19.469 1.00 0.00 WAT +ATOM 23910 H1 TIP3 5867 10.332 -20.330 -19.298 1.00 0.00 WAT +ATOM 23911 H2 TIP3 5867 10.983 -19.126 -19.893 1.00 0.00 WAT +ATOM 23912 OH2 TIP3 5868 10.309 -18.853 -13.812 1.00 0.00 WAT +ATOM 23913 H1 TIP3 5868 11.267 -18.653 -13.814 1.00 0.00 WAT +ATOM 23914 H2 TIP3 5868 10.075 -18.672 -12.894 1.00 0.00 WAT +ATOM 23915 OH2 TIP3 5869 12.912 -23.732 -6.245 1.00 0.00 WAT +ATOM 23916 H1 TIP3 5869 13.358 -24.489 -6.666 1.00 0.00 WAT +ATOM 23917 H2 TIP3 5869 13.163 -23.009 -6.833 1.00 0.00 WAT +ATOM 23918 OH2 TIP3 5870 10.569 -22.251 -19.484 1.00 0.00 WAT +ATOM 23919 H1 TIP3 5870 10.714 -22.599 -18.585 1.00 0.00 WAT +ATOM 23920 H2 TIP3 5870 9.785 -22.767 -19.764 1.00 0.00 WAT +ATOM 23921 OH2 TIP3 5871 -4.170 -21.450 -14.433 1.00 0.00 WAT +ATOM 23922 H1 TIP3 5871 -3.500 -22.145 -14.363 1.00 0.00 WAT +ATOM 23923 H2 TIP3 5871 -3.647 -20.663 -14.224 1.00 0.00 WAT +ATOM 23924 OH2 TIP3 5872 12.547 -21.794 -22.827 1.00 0.00 WAT +ATOM 23925 H1 TIP3 5872 12.830 -22.591 -23.306 1.00 0.00 WAT +ATOM 23926 H2 TIP3 5872 13.375 -21.288 -22.783 1.00 0.00 WAT +ATOM 23927 OH2 TIP3 5873 -5.581 -22.150 -19.799 1.00 0.00 WAT +ATOM 23928 H1 TIP3 5873 -6.300 -21.564 -20.032 1.00 0.00 WAT +ATOM 23929 H2 TIP3 5873 -4.809 -21.596 -19.984 1.00 0.00 WAT +ATOM 23930 OH2 TIP3 5874 -5.538 -23.003 -11.237 1.00 0.00 WAT +ATOM 23931 H1 TIP3 5874 -6.166 -23.642 -10.872 1.00 0.00 WAT +ATOM 23932 H2 TIP3 5874 -6.002 -22.637 -11.997 1.00 0.00 WAT +ATOM 23933 OH2 TIP3 5875 11.349 -23.801 -9.596 1.00 0.00 WAT +ATOM 23934 H1 TIP3 5875 10.591 -23.469 -10.098 1.00 0.00 WAT +ATOM 23935 H2 TIP3 5875 11.530 -24.666 -10.010 1.00 0.00 WAT +ATOM 23936 OH2 TIP3 5876 4.771 -22.292 -15.221 1.00 0.00 WAT +ATOM 23937 H1 TIP3 5876 4.044 -22.933 -15.098 1.00 0.00 WAT +ATOM 23938 H2 TIP3 5876 5.355 -22.763 -15.833 1.00 0.00 WAT +ATOM 23939 OH2 TIP3 5877 9.704 -24.268 -14.796 1.00 0.00 WAT +ATOM 23940 H1 TIP3 5877 10.451 -23.793 -15.196 1.00 0.00 WAT +ATOM 23941 H2 TIP3 5877 8.946 -23.928 -15.299 1.00 0.00 WAT +ATOM 23942 OH2 TIP3 5878 11.763 -23.138 -16.930 1.00 0.00 WAT +ATOM 23943 H1 TIP3 5878 12.497 -23.555 -17.415 1.00 0.00 WAT +ATOM 23944 H2 TIP3 5878 12.091 -22.226 -16.808 1.00 0.00 WAT +ATOM 23945 OH2 TIP3 5879 -3.011 -23.560 -17.842 1.00 0.00 WAT +ATOM 23946 H1 TIP3 5879 -3.937 -23.729 -18.096 1.00 0.00 WAT +ATOM 23947 H2 TIP3 5879 -2.598 -24.437 -17.884 1.00 0.00 WAT +ATOM 23948 OH2 TIP3 5880 -4.139 -24.012 -21.718 1.00 0.00 WAT +ATOM 23949 H1 TIP3 5880 -3.592 -23.388 -22.231 1.00 0.00 WAT +ATOM 23950 H2 TIP3 5880 -4.619 -23.414 -21.117 1.00 0.00 WAT +ATOM 23951 OH2 TIP3 5881 1.576 -23.790 -17.802 1.00 0.00 WAT +ATOM 23952 H1 TIP3 5881 2.459 -23.404 -17.928 1.00 0.00 WAT +ATOM 23953 H2 TIP3 5881 1.523 -23.798 -16.837 1.00 0.00 WAT +ATOM 23954 OH2 TIP3 5882 7.155 -23.683 -16.417 1.00 0.00 WAT +ATOM 23955 H1 TIP3 5882 7.441 -23.887 -17.316 1.00 0.00 WAT +ATOM 23956 H2 TIP3 5882 6.777 -24.533 -16.128 1.00 0.00 WAT +ATOM 23957 OH2 TIP3 5883 8.273 -23.690 -20.418 1.00 0.00 WAT +ATOM 23958 H1 TIP3 5883 7.445 -23.186 -20.527 1.00 0.00 WAT +ATOM 23959 H2 TIP3 5883 7.928 -24.586 -20.258 1.00 0.00 WAT +ATOM 23960 OH2 TIP3 5884 -3.731 -8.078 -20.751 1.00 0.00 WAT +ATOM 23961 H1 TIP3 5884 -4.530 -7.993 -21.292 1.00 0.00 WAT +ATOM 23962 H2 TIP3 5884 -3.585 -7.165 -20.451 1.00 0.00 WAT +ATOM 23963 OH2 TIP3 5885 -2.365 -22.291 -23.366 1.00 0.00 WAT +ATOM 23964 H1 TIP3 5885 -1.717 -22.809 -23.874 1.00 0.00 WAT +ATOM 23965 H2 TIP3 5885 -1.797 -21.927 -22.659 1.00 0.00 WAT +ATOM 23966 OH2 TIP3 5886 2.741 -22.075 -20.765 1.00 0.00 WAT +ATOM 23967 H1 TIP3 5886 3.074 -22.626 -20.039 1.00 0.00 WAT +ATOM 23968 H2 TIP3 5886 2.868 -21.194 -20.381 1.00 0.00 WAT +ATOM 23969 OH2 TIP3 5887 11.549 -7.220 -19.784 1.00 0.00 WAT +ATOM 23970 H1 TIP3 5887 11.295 -8.049 -20.220 1.00 0.00 WAT +ATOM 23971 H2 TIP3 5887 11.274 -6.551 -20.409 1.00 0.00 WAT +ATOM 23972 OH2 TIP3 5888 -3.188 -23.320 -8.178 1.00 0.00 WAT +ATOM 23973 H1 TIP3 5888 -3.493 -24.151 -7.749 1.00 0.00 WAT +ATOM 23974 H2 TIP3 5888 -2.264 -23.362 -7.895 1.00 0.00 WAT +ATOM 23975 OH2 TIP3 5889 -0.690 -23.971 -6.235 1.00 0.00 WAT +ATOM 23976 H1 TIP3 5889 0.041 -24.373 -6.739 1.00 0.00 WAT +ATOM 23977 H2 TIP3 5889 -1.282 -24.743 -6.137 1.00 0.00 WAT +ATOM 23978 OH2 TIP3 5890 7.401 -24.739 -6.092 1.00 0.00 WAT +ATOM 23979 H1 TIP3 5890 7.574 -25.174 -5.249 1.00 0.00 WAT +ATOM 23980 H2 TIP3 5890 8.286 -24.761 -6.500 1.00 0.00 WAT +ATOM 23981 OH2 TIP3 5891 24.990 -14.814 -17.460 1.00 0.00 WAT +ATOM 23982 H1 TIP3 5891 24.954 -13.871 -17.237 1.00 0.00 WAT +ATOM 23983 H2 TIP3 5891 24.176 -14.929 -17.968 1.00 0.00 WAT +ATOM 23984 OH2 TIP3 5892 23.831 -15.393 -14.372 1.00 0.00 WAT +ATOM 23985 H1 TIP3 5892 23.816 -15.883 -13.533 1.00 0.00 WAT +ATOM 23986 H2 TIP3 5892 23.534 -16.067 -15.000 1.00 0.00 WAT +ATOM 23987 OH2 TIP3 5893 16.416 -15.600 -12.408 1.00 0.00 WAT +ATOM 23988 H1 TIP3 5893 16.361 -16.386 -11.835 1.00 0.00 WAT +ATOM 23989 H2 TIP3 5893 17.270 -15.223 -12.168 1.00 0.00 WAT +ATOM 23990 OH2 TIP3 5894 27.501 -12.379 -15.882 1.00 0.00 WAT +ATOM 23991 H1 TIP3 5894 27.190 -13.115 -15.338 1.00 0.00 WAT +ATOM 23992 H2 TIP3 5894 27.871 -11.802 -15.196 1.00 0.00 WAT +ATOM 23993 OH2 TIP3 5895 17.213 -11.241 -14.439 1.00 0.00 WAT +ATOM 23994 H1 TIP3 5895 16.904 -12.161 -14.568 1.00 0.00 WAT +ATOM 23995 H2 TIP3 5895 18.160 -11.378 -14.264 1.00 0.00 WAT +ATOM 23996 OH2 TIP3 5896 13.924 -17.764 -18.823 1.00 0.00 WAT +ATOM 23997 H1 TIP3 5896 13.599 -16.868 -18.665 1.00 0.00 WAT +ATOM 23998 H2 TIP3 5896 13.172 -18.213 -19.226 1.00 0.00 WAT +ATOM 23999 OH2 TIP3 5897 14.561 -15.302 -17.113 1.00 0.00 WAT +ATOM 24000 H1 TIP3 5897 14.683 -15.992 -16.434 1.00 0.00 WAT +ATOM 24001 H2 TIP3 5897 15.480 -15.089 -17.322 1.00 0.00 WAT +ATOM 24002 OH2 TIP3 5898 24.537 -7.249 -15.400 1.00 0.00 WAT +ATOM 24003 H1 TIP3 5898 25.090 -7.979 -15.724 1.00 0.00 WAT +ATOM 24004 H2 TIP3 5898 24.327 -7.566 -14.508 1.00 0.00 WAT +ATOM 24005 OH2 TIP3 5899 22.319 -12.910 -13.770 1.00 0.00 WAT +ATOM 24006 H1 TIP3 5899 22.693 -13.635 -14.300 1.00 0.00 WAT +ATOM 24007 H2 TIP3 5899 23.114 -12.693 -13.238 1.00 0.00 WAT +ATOM 24008 OH2 TIP3 5900 30.969 -21.327 -13.165 1.00 0.00 WAT +ATOM 24009 H1 TIP3 5900 31.212 -20.756 -12.420 1.00 0.00 WAT +ATOM 24010 H2 TIP3 5900 31.587 -21.011 -13.847 1.00 0.00 WAT +ATOM 24011 OH2 TIP3 5901 25.615 -18.526 -13.260 1.00 0.00 WAT +ATOM 24012 H1 TIP3 5901 25.758 -19.488 -13.208 1.00 0.00 WAT +ATOM 24013 H2 TIP3 5901 25.517 -18.403 -14.216 1.00 0.00 WAT +ATOM 24014 OH2 TIP3 5902 18.582 -20.513 -16.187 1.00 0.00 WAT +ATOM 24015 H1 TIP3 5902 18.716 -19.652 -16.629 1.00 0.00 WAT +ATOM 24016 H2 TIP3 5902 18.220 -21.028 -16.933 1.00 0.00 WAT +ATOM 24017 OH2 TIP3 5903 26.425 -20.373 -17.908 1.00 0.00 WAT +ATOM 24018 H1 TIP3 5903 26.966 -20.780 -17.192 1.00 0.00 WAT +ATOM 24019 H2 TIP3 5903 27.110 -19.896 -18.397 1.00 0.00 WAT +ATOM 24020 OH2 TIP3 5904 15.245 -17.782 -15.669 1.00 0.00 WAT +ATOM 24021 H1 TIP3 5904 15.863 -18.256 -15.088 1.00 0.00 WAT +ATOM 24022 H2 TIP3 5904 15.354 -18.267 -16.504 1.00 0.00 WAT +ATOM 24023 OH2 TIP3 5905 20.646 -16.390 -16.244 1.00 0.00 WAT +ATOM 24024 H1 TIP3 5905 21.350 -16.931 -15.834 1.00 0.00 WAT +ATOM 24025 H2 TIP3 5905 20.135 -17.070 -16.719 1.00 0.00 WAT +ATOM 24026 OH2 TIP3 5906 31.752 -19.897 -10.630 1.00 0.00 WAT +ATOM 24027 H1 TIP3 5906 31.121 -19.227 -10.950 1.00 0.00 WAT +ATOM 24028 H2 TIP3 5906 31.399 -20.060 -9.746 1.00 0.00 WAT +ATOM 24029 OH2 TIP3 5907 17.336 -21.709 -11.984 1.00 0.00 WAT +ATOM 24030 H1 TIP3 5907 16.965 -21.198 -12.719 1.00 0.00 WAT +ATOM 24031 H2 TIP3 5907 16.660 -21.547 -11.296 1.00 0.00 WAT +ATOM 24032 OH2 TIP3 5908 24.970 -11.895 -18.707 1.00 0.00 WAT +ATOM 24033 H1 TIP3 5908 24.466 -12.207 -19.462 1.00 0.00 WAT +ATOM 24034 H2 TIP3 5908 24.466 -11.107 -18.433 1.00 0.00 WAT +ATOM 24035 OH2 TIP3 5909 20.133 -13.811 -12.034 1.00 0.00 WAT +ATOM 24036 H1 TIP3 5909 19.651 -13.125 -11.516 1.00 0.00 WAT +ATOM 24037 H2 TIP3 5909 20.872 -13.288 -12.394 1.00 0.00 WAT +ATOM 24038 OH2 TIP3 5910 28.228 -21.083 -15.846 1.00 0.00 WAT +ATOM 24039 H1 TIP3 5910 27.985 -21.817 -15.255 1.00 0.00 WAT +ATOM 24040 H2 TIP3 5910 28.745 -20.525 -15.241 1.00 0.00 WAT +ATOM 24041 OH2 TIP3 5911 16.977 -19.677 -14.084 1.00 0.00 WAT +ATOM 24042 H1 TIP3 5911 17.608 -19.103 -13.597 1.00 0.00 WAT +ATOM 24043 H2 TIP3 5911 17.568 -20.034 -14.782 1.00 0.00 WAT +ATOM 24044 OH2 TIP3 5912 18.848 -11.794 -10.743 1.00 0.00 WAT +ATOM 24045 H1 TIP3 5912 18.774 -10.899 -11.093 1.00 0.00 WAT +ATOM 24046 H2 TIP3 5912 18.084 -11.858 -10.160 1.00 0.00 WAT +ATOM 24047 OH2 TIP3 5913 14.167 -12.401 -20.350 1.00 0.00 WAT +ATOM 24048 H1 TIP3 5913 14.152 -11.856 -21.151 1.00 0.00 WAT +ATOM 24049 H2 TIP3 5913 14.385 -11.739 -19.657 1.00 0.00 WAT +ATOM 24050 OH2 TIP3 5914 28.406 -21.937 -11.942 1.00 0.00 WAT +ATOM 24051 H1 TIP3 5914 27.615 -21.620 -12.417 1.00 0.00 WAT +ATOM 24052 H2 TIP3 5914 29.090 -21.851 -12.631 1.00 0.00 WAT +ATOM 24053 OH2 TIP3 5915 21.507 -24.229 -14.959 1.00 0.00 WAT +ATOM 24054 H1 TIP3 5915 21.286 -25.177 -14.993 1.00 0.00 WAT +ATOM 24055 H2 TIP3 5915 20.691 -23.848 -14.570 1.00 0.00 WAT +ATOM 24056 OH2 TIP3 5916 26.306 -8.849 -17.115 1.00 0.00 WAT +ATOM 24057 H1 TIP3 5916 26.803 -9.684 -17.154 1.00 0.00 WAT +ATOM 24058 H2 TIP3 5916 27.017 -8.201 -16.979 1.00 0.00 WAT +ATOM 24059 OH2 TIP3 5917 27.928 -11.141 -18.464 1.00 0.00 WAT +ATOM 24060 H1 TIP3 5917 27.143 -11.510 -18.896 1.00 0.00 WAT +ATOM 24061 H2 TIP3 5917 27.877 -11.578 -17.591 1.00 0.00 WAT +ATOM 24062 OH2 TIP3 5918 29.410 -11.913 -9.829 1.00 0.00 WAT +ATOM 24063 H1 TIP3 5918 29.274 -12.640 -10.454 1.00 0.00 WAT +ATOM 24064 H2 TIP3 5918 29.344 -11.189 -10.480 1.00 0.00 WAT +ATOM 24065 OH2 TIP3 5919 23.602 -15.308 -20.166 1.00 0.00 WAT +ATOM 24066 H1 TIP3 5919 22.942 -14.682 -20.520 1.00 0.00 WAT +ATOM 24067 H2 TIP3 5919 24.321 -15.229 -20.811 1.00 0.00 WAT +ATOM 24068 OH2 TIP3 5920 23.901 -17.076 -23.119 1.00 0.00 WAT +ATOM 24069 H1 TIP3 5920 24.581 -16.793 -22.481 1.00 0.00 WAT +ATOM 24070 H2 TIP3 5920 24.409 -17.681 -23.675 1.00 0.00 WAT +ATOM 24071 OH2 TIP3 5921 31.196 -16.020 -11.911 1.00 0.00 WAT +ATOM 24072 H1 TIP3 5921 30.422 -15.415 -11.857 1.00 0.00 WAT +ATOM 24073 H2 TIP3 5921 31.638 -15.641 -12.705 1.00 0.00 WAT +ATOM 24074 OH2 TIP3 5922 27.130 -15.312 -19.088 1.00 0.00 WAT +ATOM 24075 H1 TIP3 5922 26.441 -15.082 -18.419 1.00 0.00 WAT +ATOM 24076 H2 TIP3 5922 27.736 -15.846 -18.542 1.00 0.00 WAT +ATOM 24077 OH2 TIP3 5923 26.945 -16.750 -10.252 1.00 0.00 WAT +ATOM 24078 H1 TIP3 5923 27.000 -15.926 -9.739 1.00 0.00 WAT +ATOM 24079 H2 TIP3 5923 26.310 -16.457 -10.929 1.00 0.00 WAT +ATOM 24080 OH2 TIP3 5924 18.718 -14.520 -17.310 1.00 0.00 WAT +ATOM 24081 H1 TIP3 5924 18.417 -14.975 -18.118 1.00 0.00 WAT +ATOM 24082 H2 TIP3 5924 19.371 -15.148 -16.953 1.00 0.00 WAT +ATOM 24083 OH2 TIP3 5925 20.165 -11.135 -14.608 1.00 0.00 WAT +ATOM 24084 H1 TIP3 5925 20.148 -11.554 -15.475 1.00 0.00 WAT +ATOM 24085 H2 TIP3 5925 20.961 -11.542 -14.211 1.00 0.00 WAT +ATOM 24086 OH2 TIP3 5926 19.245 -15.727 -13.846 1.00 0.00 WAT +ATOM 24087 H1 TIP3 5926 19.856 -15.705 -14.606 1.00 0.00 WAT +ATOM 24088 H2 TIP3 5926 19.622 -15.042 -13.255 1.00 0.00 WAT +ATOM 24089 OH2 TIP3 5927 25.192 -10.180 -13.339 1.00 0.00 WAT +ATOM 24090 H1 TIP3 5927 25.578 -9.498 -12.766 1.00 0.00 WAT +ATOM 24091 H2 TIP3 5927 25.374 -11.002 -12.862 1.00 0.00 WAT +ATOM 24092 OH2 TIP3 5928 26.114 -15.857 -21.629 1.00 0.00 WAT +ATOM 24093 H1 TIP3 5928 26.543 -15.563 -20.795 1.00 0.00 WAT +ATOM 24094 H2 TIP3 5928 26.572 -15.281 -22.286 1.00 0.00 WAT +ATOM 24095 OH2 TIP3 5929 23.507 -9.254 -18.072 1.00 0.00 WAT +ATOM 24096 H1 TIP3 5929 24.042 -9.007 -17.305 1.00 0.00 WAT +ATOM 24097 H2 TIP3 5929 23.036 -8.433 -18.277 1.00 0.00 WAT +ATOM 24098 OH2 TIP3 5930 29.511 -24.097 -22.132 1.00 0.00 WAT +ATOM 24099 H1 TIP3 5930 28.630 -24.018 -21.717 1.00 0.00 WAT +ATOM 24100 H2 TIP3 5930 29.851 -23.196 -22.025 1.00 0.00 WAT +ATOM 24101 OH2 TIP3 5931 17.660 -15.766 -19.776 1.00 0.00 WAT +ATOM 24102 H1 TIP3 5931 17.418 -15.008 -20.331 1.00 0.00 WAT +ATOM 24103 H2 TIP3 5931 17.013 -16.433 -20.040 1.00 0.00 WAT +ATOM 24104 OH2 TIP3 5932 30.979 -9.897 -23.759 1.00 0.00 WAT +ATOM 24105 H1 TIP3 5932 31.100 -9.024 -23.326 1.00 0.00 WAT +ATOM 24106 H2 TIP3 5932 31.760 -10.380 -23.420 1.00 0.00 WAT +ATOM 24107 OH2 TIP3 5933 13.565 -10.137 -14.517 1.00 0.00 WAT +ATOM 24108 H1 TIP3 5933 14.449 -10.436 -14.272 1.00 0.00 WAT +ATOM 24109 H2 TIP3 5933 13.345 -9.509 -13.814 1.00 0.00 WAT +ATOM 24110 OH2 TIP3 5934 32.109 -9.540 -8.263 1.00 0.00 WAT +ATOM 24111 H1 TIP3 5934 31.997 -10.458 -8.561 1.00 0.00 WAT +ATOM 24112 H2 TIP3 5934 31.185 -9.302 -8.035 1.00 0.00 WAT +ATOM 24113 OH2 TIP3 5935 23.044 -10.214 -9.586 1.00 0.00 WAT +ATOM 24114 H1 TIP3 5935 23.196 -9.563 -8.881 1.00 0.00 WAT +ATOM 24115 H2 TIP3 5935 22.206 -10.600 -9.317 1.00 0.00 WAT +ATOM 24116 OH2 TIP3 5936 23.120 -6.503 -19.577 1.00 0.00 WAT +ATOM 24117 H1 TIP3 5936 23.098 -6.385 -20.540 1.00 0.00 WAT +ATOM 24118 H2 TIP3 5936 23.081 -5.594 -19.243 1.00 0.00 WAT +ATOM 24119 OH2 TIP3 5937 16.862 -7.597 -18.027 1.00 0.00 WAT +ATOM 24120 H1 TIP3 5937 17.066 -7.871 -17.108 1.00 0.00 WAT +ATOM 24121 H2 TIP3 5937 15.921 -7.811 -18.067 1.00 0.00 WAT +ATOM 24122 OH2 TIP3 5938 26.418 -7.180 -22.445 1.00 0.00 WAT +ATOM 24123 H1 TIP3 5938 26.922 -7.893 -22.860 1.00 0.00 WAT +ATOM 24124 H2 TIP3 5938 26.348 -7.502 -21.520 1.00 0.00 WAT +ATOM 24125 OH2 TIP3 5939 25.778 -7.682 -19.653 1.00 0.00 WAT +ATOM 24126 H1 TIP3 5939 24.834 -7.533 -19.460 1.00 0.00 WAT +ATOM 24127 H2 TIP3 5939 25.987 -8.311 -18.932 1.00 0.00 WAT +ATOM 24128 OH2 TIP3 5940 28.957 -18.203 -7.911 1.00 0.00 WAT +ATOM 24129 H1 TIP3 5940 28.381 -17.808 -8.581 1.00 0.00 WAT +ATOM 24130 H2 TIP3 5940 28.984 -19.132 -8.211 1.00 0.00 WAT +ATOM 24131 OH2 TIP3 5941 19.084 -23.088 -14.021 1.00 0.00 WAT +ATOM 24132 H1 TIP3 5941 18.250 -23.134 -14.523 1.00 0.00 WAT +ATOM 24133 H2 TIP3 5941 18.888 -22.341 -13.435 1.00 0.00 WAT +ATOM 24134 OH2 TIP3 5942 23.464 -23.519 -10.406 1.00 0.00 WAT +ATOM 24135 H1 TIP3 5942 23.987 -24.024 -9.754 1.00 0.00 WAT +ATOM 24136 H2 TIP3 5942 22.555 -23.840 -10.259 1.00 0.00 WAT +ATOM 24137 OH2 TIP3 5943 26.645 -19.699 -9.844 1.00 0.00 WAT +ATOM 24138 H1 TIP3 5943 26.002 -19.866 -9.130 1.00 0.00 WAT +ATOM 24139 H2 TIP3 5943 26.537 -18.750 -10.027 1.00 0.00 WAT +ATOM 24140 OH2 TIP3 5944 27.538 -14.708 -23.714 1.00 0.00 WAT +ATOM 24141 H1 TIP3 5944 27.438 -15.007 -24.631 1.00 0.00 WAT +ATOM 24142 H2 TIP3 5944 28.500 -14.552 -23.662 1.00 0.00 WAT +ATOM 24143 OH2 TIP3 5945 23.297 -21.008 -23.099 1.00 0.00 WAT +ATOM 24144 H1 TIP3 5945 22.786 -21.121 -22.283 1.00 0.00 WAT +ATOM 24145 H2 TIP3 5945 22.865 -21.670 -23.666 1.00 0.00 WAT +ATOM 24146 OH2 TIP3 5946 18.909 -18.311 -12.559 1.00 0.00 WAT +ATOM 24147 H1 TIP3 5946 18.323 -18.181 -11.791 1.00 0.00 WAT +ATOM 24148 H2 TIP3 5946 19.023 -17.396 -12.888 1.00 0.00 WAT +ATOM 24149 OH2 TIP3 5947 18.887 -18.215 -17.747 1.00 0.00 WAT +ATOM 24150 H1 TIP3 5947 17.929 -18.318 -17.900 1.00 0.00 WAT +ATOM 24151 H2 TIP3 5947 19.234 -18.428 -18.634 1.00 0.00 WAT +ATOM 24152 OH2 TIP3 5948 24.482 -17.667 -18.967 1.00 0.00 WAT +ATOM 24153 H1 TIP3 5948 24.080 -16.828 -19.280 1.00 0.00 WAT +ATOM 24154 H2 TIP3 5948 25.177 -17.802 -19.628 1.00 0.00 WAT +ATOM 24155 OH2 TIP3 5949 23.702 -17.419 -7.571 1.00 0.00 WAT +ATOM 24156 H1 TIP3 5949 23.131 -18.134 -7.231 1.00 0.00 WAT +ATOM 24157 H2 TIP3 5949 24.556 -17.609 -7.138 1.00 0.00 WAT +ATOM 24158 OH2 TIP3 5950 25.339 -18.265 -16.178 1.00 0.00 WAT +ATOM 24159 H1 TIP3 5950 25.055 -17.688 -16.913 1.00 0.00 WAT +ATOM 24160 H2 TIP3 5950 25.553 -19.077 -16.676 1.00 0.00 WAT +ATOM 24161 OH2 TIP3 5951 16.389 -18.143 -10.767 1.00 0.00 WAT +ATOM 24162 H1 TIP3 5951 16.539 -17.813 -9.872 1.00 0.00 WAT +ATOM 24163 H2 TIP3 5951 15.938 -18.987 -10.587 1.00 0.00 WAT +ATOM 24164 OH2 TIP3 5952 19.791 -20.600 -24.226 1.00 0.00 WAT +ATOM 24165 H1 TIP3 5952 19.399 -20.912 -23.385 1.00 0.00 WAT +ATOM 24166 H2 TIP3 5952 19.016 -20.245 -24.682 1.00 0.00 WAT +ATOM 24167 OH2 TIP3 5953 13.148 -20.646 -17.172 1.00 0.00 WAT +ATOM 24168 H1 TIP3 5953 13.732 -20.662 -16.390 1.00 0.00 WAT +ATOM 24169 H2 TIP3 5953 13.677 -21.076 -17.860 1.00 0.00 WAT +ATOM 24170 OH2 TIP3 5954 14.746 -20.239 -21.420 1.00 0.00 WAT +ATOM 24171 H1 TIP3 5954 15.284 -19.757 -22.084 1.00 0.00 WAT +ATOM 24172 H2 TIP3 5954 14.050 -19.588 -21.245 1.00 0.00 WAT +ATOM 24173 OH2 TIP3 5955 24.408 -16.585 -11.737 1.00 0.00 WAT +ATOM 24174 H1 TIP3 5955 24.870 -17.307 -12.218 1.00 0.00 WAT +ATOM 24175 H2 TIP3 5955 24.093 -17.051 -10.949 1.00 0.00 WAT +ATOM 24176 OH2 TIP3 5956 21.646 -20.643 -16.726 1.00 0.00 WAT +ATOM 24177 H1 TIP3 5956 20.708 -20.663 -16.472 1.00 0.00 WAT +ATOM 24178 H2 TIP3 5956 22.081 -20.805 -15.870 1.00 0.00 WAT +ATOM 24179 OH2 TIP3 5957 16.227 -19.382 -18.059 1.00 0.00 WAT +ATOM 24180 H1 TIP3 5957 15.392 -19.140 -18.499 1.00 0.00 WAT +ATOM 24181 H2 TIP3 5957 16.513 -20.181 -18.540 1.00 0.00 WAT +ATOM 24182 OH2 TIP3 5958 19.868 -19.083 -20.366 1.00 0.00 WAT +ATOM 24183 H1 TIP3 5958 20.832 -18.980 -20.296 1.00 0.00 WAT +ATOM 24184 H2 TIP3 5958 19.613 -18.468 -21.074 1.00 0.00 WAT +ATOM 24185 OH2 TIP3 5959 26.034 -21.442 -13.686 1.00 0.00 WAT +ATOM 24186 H1 TIP3 5959 25.396 -21.469 -12.940 1.00 0.00 WAT +ATOM 24187 H2 TIP3 5959 25.483 -21.806 -14.397 1.00 0.00 WAT +ATOM 24188 OH2 TIP3 5960 18.306 -17.799 -22.585 1.00 0.00 WAT +ATOM 24189 H1 TIP3 5960 17.731 -18.091 -23.312 1.00 0.00 WAT +ATOM 24190 H2 TIP3 5960 19.128 -17.628 -23.074 1.00 0.00 WAT +ATOM 24191 OH2 TIP3 5961 29.081 -5.743 -6.955 1.00 0.00 WAT +ATOM 24192 H1 TIP3 5961 29.087 -5.273 -7.800 1.00 0.00 WAT +ATOM 24193 H2 TIP3 5961 29.725 -5.253 -6.439 1.00 0.00 WAT +ATOM 24194 OH2 TIP3 5962 22.664 -18.097 -14.914 1.00 0.00 WAT +ATOM 24195 H1 TIP3 5962 23.433 -18.514 -15.332 1.00 0.00 WAT +ATOM 24196 H2 TIP3 5962 22.513 -18.680 -14.143 1.00 0.00 WAT +ATOM 24197 OH2 TIP3 5963 17.965 -21.661 -18.727 1.00 0.00 WAT +ATOM 24198 H1 TIP3 5963 17.416 -22.446 -18.565 1.00 0.00 WAT +ATOM 24199 H2 TIP3 5963 18.779 -22.045 -19.081 1.00 0.00 WAT +ATOM 24200 OH2 TIP3 5964 21.642 -19.628 -12.643 1.00 0.00 WAT +ATOM 24201 H1 TIP3 5964 20.878 -19.031 -12.602 1.00 0.00 WAT +ATOM 24202 H2 TIP3 5964 22.152 -19.380 -11.844 1.00 0.00 WAT +ATOM 24203 OH2 TIP3 5965 21.796 -13.249 -20.755 1.00 0.00 WAT +ATOM 24204 H1 TIP3 5965 21.022 -13.744 -21.093 1.00 0.00 WAT +ATOM 24205 H2 TIP3 5965 21.591 -13.174 -19.792 1.00 0.00 WAT +ATOM 24206 OH2 TIP3 5966 29.077 -14.267 -11.996 1.00 0.00 WAT +ATOM 24207 H1 TIP3 5966 29.418 -13.444 -12.422 1.00 0.00 WAT +ATOM 24208 H2 TIP3 5966 28.191 -14.297 -12.403 1.00 0.00 WAT +ATOM 24209 OH2 TIP3 5967 25.972 -20.337 -23.067 1.00 0.00 WAT +ATOM 24210 H1 TIP3 5967 24.994 -20.444 -23.013 1.00 0.00 WAT +ATOM 24211 H2 TIP3 5967 26.160 -19.696 -22.347 1.00 0.00 WAT +ATOM 24212 OH2 TIP3 5968 23.262 -13.294 -9.402 1.00 0.00 WAT +ATOM 24213 H1 TIP3 5968 23.076 -13.593 -8.499 1.00 0.00 WAT +ATOM 24214 H2 TIP3 5968 23.233 -12.337 -9.308 1.00 0.00 WAT +ATOM 24215 OH2 TIP3 5969 26.640 -18.603 -20.978 1.00 0.00 WAT +ATOM 24216 H1 TIP3 5969 27.484 -18.749 -20.504 1.00 0.00 WAT +ATOM 24217 H2 TIP3 5969 26.735 -17.686 -21.298 1.00 0.00 WAT +ATOM 24218 OH2 TIP3 5970 16.795 -14.005 -14.986 1.00 0.00 WAT +ATOM 24219 H1 TIP3 5970 17.466 -14.104 -15.680 1.00 0.00 WAT +ATOM 24220 H2 TIP3 5970 16.966 -14.776 -14.418 1.00 0.00 WAT +ATOM 24221 OH2 TIP3 5971 24.181 -11.870 -21.875 1.00 0.00 WAT +ATOM 24222 H1 TIP3 5971 23.948 -11.022 -21.441 1.00 0.00 WAT +ATOM 24223 H2 TIP3 5971 23.456 -12.436 -21.557 1.00 0.00 WAT +ATOM 24224 OH2 TIP3 5972 21.056 -15.915 -7.378 1.00 0.00 WAT +ATOM 24225 H1 TIP3 5972 20.728 -16.102 -8.257 1.00 0.00 WAT +ATOM 24226 H2 TIP3 5972 21.992 -16.133 -7.443 1.00 0.00 WAT +ATOM 24227 OH2 TIP3 5973 25.848 -10.859 -9.765 1.00 0.00 WAT +ATOM 24228 H1 TIP3 5973 24.984 -10.545 -10.079 1.00 0.00 WAT +ATOM 24229 H2 TIP3 5973 25.963 -10.339 -8.957 1.00 0.00 WAT +ATOM 24230 OH2 TIP3 5974 31.231 -18.620 -21.195 1.00 0.00 WAT +ATOM 24231 H1 TIP3 5974 30.637 -18.773 -21.951 1.00 0.00 WAT +ATOM 24232 H2 TIP3 5974 31.362 -17.655 -21.283 1.00 0.00 WAT +ATOM 24233 OH2 TIP3 5975 31.647 -12.580 -8.403 1.00 0.00 WAT +ATOM 24234 H1 TIP3 5975 30.746 -12.259 -8.633 1.00 0.00 WAT +ATOM 24235 H2 TIP3 5975 32.010 -12.717 -9.300 1.00 0.00 WAT +ATOM 24236 OH2 TIP3 5976 29.319 -10.016 -21.217 1.00 0.00 WAT +ATOM 24237 H1 TIP3 5976 29.067 -10.630 -20.504 1.00 0.00 WAT +ATOM 24238 H2 TIP3 5976 30.071 -10.457 -21.617 1.00 0.00 WAT +ATOM 24239 OH2 TIP3 5977 26.670 -14.650 -13.649 1.00 0.00 WAT +ATOM 24240 H1 TIP3 5977 25.744 -14.790 -13.920 1.00 0.00 WAT +ATOM 24241 H2 TIP3 5977 27.129 -15.326 -14.179 1.00 0.00 WAT +ATOM 24242 OH2 TIP3 5978 19.292 -10.575 -17.753 1.00 0.00 WAT +ATOM 24243 H1 TIP3 5978 19.738 -9.714 -17.754 1.00 0.00 WAT +ATOM 24244 H2 TIP3 5978 18.372 -10.314 -17.881 1.00 0.00 WAT +ATOM 24245 OH2 TIP3 5979 15.173 -15.746 -22.906 1.00 0.00 WAT +ATOM 24246 H1 TIP3 5979 15.863 -15.141 -22.577 1.00 0.00 WAT +ATOM 24247 H2 TIP3 5979 14.400 -15.173 -22.874 1.00 0.00 WAT +ATOM 24248 OH2 TIP3 5980 21.137 -12.866 -18.090 1.00 0.00 WAT +ATOM 24249 H1 TIP3 5980 20.837 -11.959 -17.914 1.00 0.00 WAT +ATOM 24250 H2 TIP3 5980 20.458 -13.378 -17.625 1.00 0.00 WAT +ATOM 24251 OH2 TIP3 5981 21.397 -8.711 -11.794 1.00 0.00 WAT +ATOM 24252 H1 TIP3 5981 21.911 -7.927 -12.053 1.00 0.00 WAT +ATOM 24253 H2 TIP3 5981 22.023 -9.169 -11.215 1.00 0.00 WAT +ATOM 24254 OH2 TIP3 5982 19.763 -7.645 -18.502 1.00 0.00 WAT +ATOM 24255 H1 TIP3 5982 18.807 -7.538 -18.370 1.00 0.00 WAT +ATOM 24256 H2 TIP3 5982 20.098 -6.770 -18.214 1.00 0.00 WAT +ATOM 24257 OH2 TIP3 5983 24.683 -12.920 -12.133 1.00 0.00 WAT +ATOM 24258 H1 TIP3 5983 24.439 -13.135 -11.218 1.00 0.00 WAT +ATOM 24259 H2 TIP3 5983 25.473 -13.463 -12.275 1.00 0.00 WAT +ATOM 24260 OH2 TIP3 5984 26.899 -11.470 -23.229 1.00 0.00 WAT +ATOM 24261 H1 TIP3 5984 27.327 -11.912 -22.472 1.00 0.00 WAT +ATOM 24262 H2 TIP3 5984 25.973 -11.645 -22.987 1.00 0.00 WAT +ATOM 24263 OH2 TIP3 5985 27.600 -8.170 -9.483 1.00 0.00 WAT +ATOM 24264 H1 TIP3 5985 26.905 -8.620 -9.986 1.00 0.00 WAT +ATOM 24265 H2 TIP3 5985 27.692 -7.357 -10.008 1.00 0.00 WAT +ATOM 24266 OH2 TIP3 5986 31.608 -7.307 -22.714 1.00 0.00 WAT +ATOM 24267 H1 TIP3 5986 32.326 -6.664 -22.858 1.00 0.00 WAT +ATOM 24268 H2 TIP3 5986 30.864 -6.682 -22.641 1.00 0.00 WAT +ATOM 24269 OH2 TIP3 5987 15.321 -20.861 -10.112 1.00 0.00 WAT +ATOM 24270 H1 TIP3 5987 14.388 -20.627 -10.190 1.00 0.00 WAT +ATOM 24271 H2 TIP3 5987 15.271 -21.706 -9.631 1.00 0.00 WAT +ATOM 24272 OH2 TIP3 5988 27.850 -13.033 -20.929 1.00 0.00 WAT +ATOM 24273 H1 TIP3 5988 27.548 -13.645 -20.236 1.00 0.00 WAT +ATOM 24274 H2 TIP3 5988 28.785 -12.923 -20.694 1.00 0.00 WAT +ATOM 24275 OH2 TIP3 5989 21.120 -10.522 -24.644 1.00 0.00 WAT +ATOM 24276 H1 TIP3 5989 21.409 -11.327 -25.110 1.00 0.00 WAT +ATOM 24277 H2 TIP3 5989 20.708 -10.898 -23.846 1.00 0.00 WAT +ATOM 24278 OH2 TIP3 5990 19.973 -10.988 -21.931 1.00 0.00 WAT +ATOM 24279 H1 TIP3 5990 20.460 -11.519 -21.284 1.00 0.00 WAT +ATOM 24280 H2 TIP3 5990 20.110 -10.079 -21.588 1.00 0.00 WAT +ATOM 24281 OH2 TIP3 5991 16.673 -13.487 -21.498 1.00 0.00 WAT +ATOM 24282 H1 TIP3 5991 15.986 -13.115 -20.919 1.00 0.00 WAT +ATOM 24283 H2 TIP3 5991 17.183 -12.691 -21.727 1.00 0.00 WAT +ATOM 24284 OH2 TIP3 5992 24.472 -21.096 -11.503 1.00 0.00 WAT +ATOM 24285 H1 TIP3 5992 25.077 -20.816 -10.802 1.00 0.00 WAT +ATOM 24286 H2 TIP3 5992 23.976 -21.825 -11.084 1.00 0.00 WAT +ATOM 24287 OH2 TIP3 5993 25.158 -21.668 -20.241 1.00 0.00 WAT +ATOM 24288 H1 TIP3 5993 25.267 -21.065 -20.987 1.00 0.00 WAT +ATOM 24289 H2 TIP3 5993 25.549 -21.156 -19.509 1.00 0.00 WAT +ATOM 24290 OH2 TIP3 5994 22.891 -9.397 -21.317 1.00 0.00 WAT +ATOM 24291 H1 TIP3 5994 22.103 -8.886 -21.068 1.00 0.00 WAT +ATOM 24292 H2 TIP3 5994 23.269 -8.853 -22.017 1.00 0.00 WAT +ATOM 24293 OH2 TIP3 5995 22.534 -19.660 -19.299 1.00 0.00 WAT +ATOM 24294 H1 TIP3 5995 23.272 -19.034 -19.138 1.00 0.00 WAT +ATOM 24295 H2 TIP3 5995 22.228 -19.832 -18.387 1.00 0.00 WAT +ATOM 24296 OH2 TIP3 5996 22.894 -18.725 -10.145 1.00 0.00 WAT +ATOM 24297 H1 TIP3 5996 22.881 -18.189 -9.334 1.00 0.00 WAT +ATOM 24298 H2 TIP3 5996 23.425 -19.482 -9.866 1.00 0.00 WAT +ATOM 24299 OH2 TIP3 5997 23.068 -22.638 -18.373 1.00 0.00 WAT +ATOM 24300 H1 TIP3 5997 22.897 -21.976 -17.674 1.00 0.00 WAT +ATOM 24301 H2 TIP3 5997 23.831 -22.232 -18.828 1.00 0.00 WAT +ATOM 24302 OH2 TIP3 5998 20.110 -8.285 -21.291 1.00 0.00 WAT +ATOM 24303 H1 TIP3 5998 20.041 -7.452 -21.803 1.00 0.00 WAT +ATOM 24304 H2 TIP3 5998 19.965 -7.971 -20.375 1.00 0.00 WAT +ATOM 24305 OH2 TIP3 5999 18.847 -21.610 -21.832 1.00 0.00 WAT +ATOM 24306 H1 TIP3 5999 18.847 -20.862 -21.209 1.00 0.00 WAT +ATOM 24307 H2 TIP3 5999 19.651 -22.088 -21.549 1.00 0.00 WAT +ATOM 24308 OH2 TIP3 6000 29.189 -20.705 -9.269 1.00 0.00 WAT +ATOM 24309 H1 TIP3 6000 28.225 -20.580 -9.388 1.00 0.00 WAT +ATOM 24310 H2 TIP3 6000 29.391 -20.998 -10.172 1.00 0.00 WAT +ATOM 24311 OH2 TIP3 6001 27.687 -16.896 -15.273 1.00 0.00 WAT +ATOM 24312 H1 TIP3 6001 26.842 -17.334 -15.479 1.00 0.00 WAT +ATOM 24313 H2 TIP3 6001 28.158 -17.590 -14.762 1.00 0.00 WAT +ATOM 24314 OH2 TIP3 6002 17.232 -10.746 -22.776 1.00 0.00 WAT +ATOM 24315 H1 TIP3 6002 17.949 -10.244 -22.351 1.00 0.00 WAT +ATOM 24316 H2 TIP3 6002 17.759 -11.265 -23.404 1.00 0.00 WAT +ATOM 24317 OH2 TIP3 6003 15.308 -18.520 -23.534 1.00 0.00 WAT +ATOM 24318 H1 TIP3 6003 15.422 -17.576 -23.316 1.00 0.00 WAT +ATOM 24319 H2 TIP3 6003 14.516 -18.524 -24.081 1.00 0.00 WAT +ATOM 24320 OH2 TIP3 6004 28.368 -7.850 -13.768 1.00 0.00 WAT +ATOM 24321 H1 TIP3 6004 28.641 -7.046 -14.239 1.00 0.00 WAT +ATOM 24322 H2 TIP3 6004 29.189 -8.341 -13.642 1.00 0.00 WAT +ATOM 24323 OH2 TIP3 6005 16.317 -23.527 -14.851 1.00 0.00 WAT +ATOM 24324 H1 TIP3 6005 16.118 -23.548 -15.808 1.00 0.00 WAT +ATOM 24325 H2 TIP3 6005 15.966 -24.381 -14.537 1.00 0.00 WAT +ATOM 24326 OH2 TIP3 6006 15.002 -10.211 -18.761 1.00 0.00 WAT +ATOM 24327 H1 TIP3 6006 14.406 -9.569 -18.354 1.00 0.00 WAT +ATOM 24328 H2 TIP3 6006 15.653 -9.634 -19.181 1.00 0.00 WAT +ATOM 24329 OH2 TIP3 6007 23.343 -8.795 -24.178 1.00 0.00 WAT +ATOM 24330 H1 TIP3 6007 22.563 -9.391 -24.200 1.00 0.00 WAT +ATOM 24331 H2 TIP3 6007 24.021 -9.408 -24.497 1.00 0.00 WAT +ATOM 24332 OH2 TIP3 6008 25.384 -9.889 -6.901 1.00 0.00 WAT +ATOM 24333 H1 TIP3 6008 25.423 -10.823 -6.676 1.00 0.00 WAT +ATOM 24334 H2 TIP3 6008 26.089 -9.487 -6.361 1.00 0.00 WAT +ATOM 24335 OH2 TIP3 6009 28.136 -8.970 -24.454 1.00 0.00 WAT +ATOM 24336 H1 TIP3 6009 28.259 -9.606 -23.729 1.00 0.00 WAT +ATOM 24337 H2 TIP3 6009 29.035 -8.652 -24.600 1.00 0.00 WAT +ATOM 24338 OH2 TIP3 6010 18.762 -13.092 -24.289 1.00 0.00 WAT +ATOM 24339 H1 TIP3 6010 18.929 -13.673 -23.526 1.00 0.00 WAT +ATOM 24340 H2 TIP3 6010 19.628 -13.128 -24.736 1.00 0.00 WAT +ATOM 24341 OH2 TIP3 6011 24.032 -11.730 -24.675 1.00 0.00 WAT +ATOM 24342 H1 TIP3 6011 23.962 -11.786 -23.702 1.00 0.00 WAT +ATOM 24343 H2 TIP3 6011 23.952 -12.683 -24.897 1.00 0.00 WAT +ATOM 24344 OH2 TIP3 6012 26.570 -13.711 -9.577 1.00 0.00 WAT +ATOM 24345 H1 TIP3 6012 27.306 -13.155 -9.866 1.00 0.00 WAT +ATOM 24346 H2 TIP3 6012 25.877 -13.029 -9.522 1.00 0.00 WAT +ATOM 24347 OH2 TIP3 6013 19.805 -14.977 -21.979 1.00 0.00 WAT +ATOM 24348 H1 TIP3 6013 19.248 -15.500 -21.384 1.00 0.00 WAT +ATOM 24349 H2 TIP3 6013 20.130 -15.669 -22.592 1.00 0.00 WAT +ATOM 24350 OH2 TIP3 6014 18.966 -16.993 -9.694 1.00 0.00 WAT +ATOM 24351 H1 TIP3 6014 18.705 -16.196 -9.216 1.00 0.00 WAT +ATOM 24352 H2 TIP3 6014 19.747 -16.695 -10.199 1.00 0.00 WAT +ATOM 24353 OH2 TIP3 6015 20.813 -16.968 -23.689 1.00 0.00 WAT +ATOM 24354 H1 TIP3 6015 20.748 -16.900 -24.659 1.00 0.00 WAT +ATOM 24355 H2 TIP3 6015 21.779 -16.994 -23.558 1.00 0.00 WAT +ATOM 24356 OH2 TIP3 6016 24.781 -14.352 -6.460 1.00 0.00 WAT +ATOM 24357 H1 TIP3 6016 25.581 -14.849 -6.676 1.00 0.00 WAT +ATOM 24358 H2 TIP3 6016 24.175 -15.031 -6.152 1.00 0.00 WAT +ATOM 24359 OH2 TIP3 6017 30.220 -14.514 -24.308 1.00 0.00 WAT +ATOM 24360 H1 TIP3 6017 30.222 -14.906 -25.199 1.00 0.00 WAT +ATOM 24361 H2 TIP3 6017 30.457 -13.600 -24.505 1.00 0.00 WAT +ATOM 24362 OH2 TIP3 6018 19.558 -19.874 -8.524 1.00 0.00 WAT +ATOM 24363 H1 TIP3 6018 19.678 -20.520 -9.241 1.00 0.00 WAT +ATOM 24364 H2 TIP3 6018 19.387 -19.054 -9.013 1.00 0.00 WAT +ATOM 24365 OH2 TIP3 6019 20.001 -21.483 -11.107 1.00 0.00 WAT +ATOM 24366 H1 TIP3 6019 20.518 -20.927 -11.722 1.00 0.00 WAT +ATOM 24367 H2 TIP3 6019 19.086 -21.404 -11.442 1.00 0.00 WAT +ATOM 24368 OH2 TIP3 6020 21.468 -16.021 -10.802 1.00 0.00 WAT +ATOM 24369 H1 TIP3 6020 22.357 -16.081 -11.184 1.00 0.00 WAT +ATOM 24370 H2 TIP3 6020 21.250 -15.091 -10.983 1.00 0.00 WAT +ATOM 24371 OH2 TIP3 6021 26.109 -18.040 -5.955 1.00 0.00 WAT +ATOM 24372 H1 TIP3 6021 26.285 -18.976 -5.774 1.00 0.00 WAT +ATOM 24373 H2 TIP3 6021 27.003 -17.676 -6.020 1.00 0.00 WAT +ATOM 24374 OH2 TIP3 6022 27.252 -15.321 -7.448 1.00 0.00 WAT +ATOM 24375 H1 TIP3 6022 26.825 -14.728 -8.104 1.00 0.00 WAT +ATOM 24376 H2 TIP3 6022 28.140 -15.391 -7.861 1.00 0.00 WAT +ATOM 24377 OH2 TIP3 6023 17.827 -18.152 -6.568 1.00 0.00 WAT +ATOM 24378 H1 TIP3 6023 17.124 -18.806 -6.691 1.00 0.00 WAT +ATOM 24379 H2 TIP3 6023 18.569 -18.488 -7.078 1.00 0.00 WAT +ATOM 24380 OH2 TIP3 6024 20.719 -24.140 -10.763 1.00 0.00 WAT +ATOM 24381 H1 TIP3 6024 20.551 -23.184 -10.912 1.00 0.00 WAT +ATOM 24382 H2 TIP3 6024 20.005 -24.541 -11.291 1.00 0.00 WAT +ATOM 24383 OH2 TIP3 6025 21.966 -19.629 -6.988 1.00 0.00 WAT +ATOM 24384 H1 TIP3 6025 21.633 -19.791 -6.088 1.00 0.00 WAT +ATOM 24385 H2 TIP3 6025 21.136 -19.759 -7.490 1.00 0.00 WAT +ATOM 24386 OH2 TIP3 6026 24.514 -20.524 -8.118 1.00 0.00 WAT +ATOM 24387 H1 TIP3 6026 23.630 -20.444 -7.708 1.00 0.00 WAT +ATOM 24388 H2 TIP3 6026 24.955 -21.147 -7.514 1.00 0.00 WAT +ATOM 24389 OH2 TIP3 6027 26.437 -22.039 -6.345 1.00 0.00 WAT +ATOM 24390 H1 TIP3 6027 26.208 -22.978 -6.208 1.00 0.00 WAT +ATOM 24391 H2 TIP3 6027 26.176 -21.618 -5.504 1.00 0.00 WAT +ATOM 24392 OH2 TIP3 6028 15.905 -20.402 -6.721 1.00 0.00 WAT +ATOM 24393 H1 TIP3 6028 16.105 -20.986 -7.463 1.00 0.00 WAT +ATOM 24394 H2 TIP3 6028 16.044 -20.991 -5.954 1.00 0.00 WAT +ATOM 24395 OH2 TIP3 6029 20.538 -24.671 -7.949 1.00 0.00 WAT +ATOM 24396 H1 TIP3 6029 21.168 -25.406 -7.895 1.00 0.00 WAT +ATOM 24397 H2 TIP3 6029 20.532 -24.496 -8.910 1.00 0.00 WAT +ATOM 24398 OH2 TIP3 6030 21.509 -22.805 -6.088 1.00 0.00 WAT +ATOM 24399 H1 TIP3 6030 21.147 -23.364 -6.803 1.00 0.00 WAT +ATOM 24400 H2 TIP3 6030 20.837 -22.104 -6.004 1.00 0.00 WAT +ATOM 24401 OH2 TIP3 6031 20.565 -5.736 -22.625 1.00 0.00 WAT +ATOM 24402 H1 TIP3 6031 21.505 -5.590 -22.454 1.00 0.00 WAT +ATOM 24403 H2 TIP3 6031 20.457 -5.271 -23.463 1.00 0.00 WAT +ATOM 24404 OH2 TIP3 6032 14.473 -11.343 -23.078 1.00 0.00 WAT +ATOM 24405 H1 TIP3 6032 15.418 -11.137 -22.902 1.00 0.00 WAT +ATOM 24406 H2 TIP3 6032 14.543 -12.121 -23.665 1.00 0.00 WAT +ATOM 24407 OH2 TIP3 6033 13.998 -8.018 -16.586 1.00 0.00 WAT +ATOM 24408 H1 TIP3 6033 13.573 -8.829 -16.268 1.00 0.00 WAT +ATOM 24409 H2 TIP3 6033 14.067 -7.550 -15.743 1.00 0.00 WAT +ATOM 24410 OH2 TIP3 6034 31.448 -6.686 -13.449 1.00 0.00 WAT +ATOM 24411 H1 TIP3 6034 31.392 -6.930 -12.513 1.00 0.00 WAT +ATOM 24412 H2 TIP3 6034 32.400 -6.649 -13.594 1.00 0.00 WAT +ATOM 24413 OH2 TIP3 6035 31.110 -7.587 -10.552 1.00 0.00 WAT +ATOM 24414 H1 TIP3 6035 30.532 -8.288 -10.885 1.00 0.00 WAT +ATOM 24415 H2 TIP3 6035 31.663 -8.068 -9.922 1.00 0.00 WAT +ATOM 24416 OH2 TIP3 6036 29.410 -11.872 -5.858 1.00 0.00 WAT +ATOM 24417 H1 TIP3 6036 28.498 -11.907 -5.547 1.00 0.00 WAT +ATOM 24418 H2 TIP3 6036 29.712 -10.995 -5.593 1.00 0.00 WAT +ATOM 24419 OH2 TIP3 6037 30.747 -13.081 -20.463 1.00 0.00 WAT +ATOM 24420 H1 TIP3 6037 31.651 -12.783 -20.247 1.00 0.00 WAT +ATOM 24421 H2 TIP3 6037 30.600 -13.699 -19.724 1.00 0.00 WAT +ATOM 24422 OH2 TIP3 6038 31.171 -15.164 -18.499 1.00 0.00 WAT +ATOM 24423 H1 TIP3 6038 30.489 -15.681 -18.028 1.00 0.00 WAT +ATOM 24424 H2 TIP3 6038 31.838 -14.997 -17.802 1.00 0.00 WAT +ATOM 24425 OH2 TIP3 6039 31.474 -15.683 -21.896 1.00 0.00 WAT +ATOM 24426 H1 TIP3 6039 30.912 -15.375 -22.630 1.00 0.00 WAT +ATOM 24427 H2 TIP3 6039 31.308 -14.996 -21.230 1.00 0.00 WAT +ATOM 24428 OH2 TIP3 6040 29.640 -18.101 -23.659 1.00 0.00 WAT +ATOM 24429 H1 TIP3 6040 29.977 -17.498 -24.335 1.00 0.00 WAT +ATOM 24430 H2 TIP3 6040 29.474 -18.919 -24.150 1.00 0.00 WAT +ATOM 24431 OH2 TIP3 6041 29.082 -17.007 -17.661 1.00 0.00 WAT +ATOM 24432 H1 TIP3 6041 29.012 -17.968 -17.762 1.00 0.00 WAT +ATOM 24433 H2 TIP3 6041 28.722 -16.878 -16.757 1.00 0.00 WAT +ATOM 24434 OH2 TIP3 6042 13.844 -15.097 -13.884 1.00 0.00 WAT +ATOM 24435 H1 TIP3 6042 14.176 -14.763 -14.722 1.00 0.00 WAT +ATOM 24436 H2 TIP3 6042 14.637 -15.068 -13.322 1.00 0.00 WAT +ATOM 24437 OH2 TIP3 6043 29.770 -15.018 -8.493 1.00 0.00 WAT +ATOM 24438 H1 TIP3 6043 30.479 -15.671 -8.358 1.00 0.00 WAT +ATOM 24439 H2 TIP3 6043 30.263 -14.218 -8.719 1.00 0.00 WAT +ATOM 24440 OH2 TIP3 6044 31.291 -16.972 -7.297 1.00 0.00 WAT +ATOM 24441 H1 TIP3 6044 30.470 -17.468 -7.513 1.00 0.00 WAT +ATOM 24442 H2 TIP3 6044 31.953 -17.689 -7.326 1.00 0.00 WAT +ATOM 24443 OH2 TIP3 6045 29.193 -20.945 -24.564 1.00 0.00 WAT +ATOM 24444 H1 TIP3 6045 29.748 -21.260 -23.822 1.00 0.00 WAT +ATOM 24445 H2 TIP3 6045 28.318 -21.308 -24.352 1.00 0.00 WAT +ATOM 24446 OH2 TIP3 6046 28.954 -19.514 -19.494 1.00 0.00 WAT +ATOM 24447 H1 TIP3 6046 29.204 -20.457 -19.393 1.00 0.00 WAT +ATOM 24448 H2 TIP3 6046 29.784 -19.146 -19.840 1.00 0.00 WAT +ATOM 24449 OH2 TIP3 6047 29.208 -18.869 -14.040 1.00 0.00 WAT +ATOM 24450 H1 TIP3 6047 30.183 -18.801 -14.033 1.00 0.00 WAT +ATOM 24451 H2 TIP3 6047 29.031 -18.882 -13.083 1.00 0.00 WAT +ATOM 24452 OH2 TIP3 6048 29.384 -18.183 -11.206 1.00 0.00 WAT +ATOM 24453 H1 TIP3 6048 28.516 -17.821 -10.947 1.00 0.00 WAT +ATOM 24454 H2 TIP3 6048 29.878 -17.376 -11.435 1.00 0.00 WAT +ATOM 24455 OH2 TIP3 6049 31.973 -24.025 -5.903 1.00 0.00 WAT +ATOM 24456 H1 TIP3 6049 32.327 -24.729 -6.478 1.00 0.00 WAT +ATOM 24457 H2 TIP3 6049 31.954 -23.266 -6.518 1.00 0.00 WAT +ATOM 24458 OH2 TIP3 6050 29.461 -22.309 -19.494 1.00 0.00 WAT +ATOM 24459 H1 TIP3 6050 29.587 -22.624 -18.574 1.00 0.00 WAT +ATOM 24460 H2 TIP3 6050 28.647 -22.790 -19.745 1.00 0.00 WAT +ATOM 24461 OH2 TIP3 6051 14.605 -21.069 -14.731 1.00 0.00 WAT +ATOM 24462 H1 TIP3 6051 15.042 -21.931 -14.631 1.00 0.00 WAT +ATOM 24463 H2 TIP3 6051 15.303 -20.475 -14.392 1.00 0.00 WAT +ATOM 24464 OH2 TIP3 6052 13.152 -18.251 -13.537 1.00 0.00 WAT +ATOM 24465 H1 TIP3 6052 13.722 -18.337 -14.315 1.00 0.00 WAT +ATOM 24466 H2 TIP3 6052 13.426 -17.372 -13.225 1.00 0.00 WAT +ATOM 24467 OH2 TIP3 6053 31.295 -22.004 -7.677 1.00 0.00 WAT +ATOM 24468 H1 TIP3 6053 30.413 -21.589 -7.648 1.00 0.00 WAT +ATOM 24469 H2 TIP3 6053 31.190 -22.548 -8.480 1.00 0.00 WAT +ATOM 24470 OH2 TIP3 6054 31.401 -21.724 -22.924 1.00 0.00 WAT +ATOM 24471 H1 TIP3 6054 31.720 -22.595 -23.205 1.00 0.00 WAT +ATOM 24472 H2 TIP3 6054 32.226 -21.281 -22.657 1.00 0.00 WAT +ATOM 24473 OH2 TIP3 6055 13.666 -22.112 -19.655 1.00 0.00 WAT +ATOM 24474 H1 TIP3 6055 12.716 -22.033 -19.847 1.00 0.00 WAT +ATOM 24475 H2 TIP3 6055 14.076 -21.494 -20.292 1.00 0.00 WAT +ATOM 24476 OH2 TIP3 6056 28.281 -6.680 -17.574 1.00 0.00 WAT +ATOM 24477 H1 TIP3 6056 28.774 -7.081 -18.307 1.00 0.00 WAT +ATOM 24478 H2 TIP3 6056 28.979 -6.496 -16.936 1.00 0.00 WAT +ATOM 24479 OH2 TIP3 6057 13.693 -23.256 -11.528 1.00 0.00 WAT +ATOM 24480 H1 TIP3 6057 13.051 -23.447 -10.829 1.00 0.00 WAT +ATOM 24481 H2 TIP3 6057 13.171 -22.681 -12.119 1.00 0.00 WAT +ATOM 24482 OH2 TIP3 6058 30.047 -23.757 -9.665 1.00 0.00 WAT +ATOM 24483 H1 TIP3 6058 29.326 -23.538 -10.280 1.00 0.00 WAT +ATOM 24484 H2 TIP3 6058 30.327 -24.640 -9.992 1.00 0.00 WAT +ATOM 24485 OH2 TIP3 6059 18.497 -6.919 -12.255 1.00 0.00 WAT +ATOM 24486 H1 TIP3 6059 18.293 -6.673 -11.358 1.00 0.00 WAT +ATOM 24487 H2 TIP3 6059 18.863 -6.106 -12.645 1.00 0.00 WAT +ATOM 24488 OH2 TIP3 6060 22.983 -6.349 -12.546 1.00 0.00 WAT +ATOM 24489 H1 TIP3 6060 22.812 -5.723 -13.263 1.00 0.00 WAT +ATOM 24490 H2 TIP3 6060 23.101 -5.762 -11.766 1.00 0.00 WAT +ATOM 24491 OH2 TIP3 6061 25.457 -7.658 -11.859 1.00 0.00 WAT +ATOM 24492 H1 TIP3 6061 24.560 -7.327 -12.021 1.00 0.00 WAT +ATOM 24493 H2 TIP3 6061 25.878 -6.845 -11.539 1.00 0.00 WAT +ATOM 24494 OH2 TIP3 6062 28.234 -5.950 -11.512 1.00 0.00 WAT +ATOM 24495 H1 TIP3 6062 27.877 -5.108 -11.821 1.00 0.00 WAT +ATOM 24496 H2 TIP3 6062 28.261 -6.469 -12.339 1.00 0.00 WAT +ATOM 24497 OH2 TIP3 6063 15.523 -7.690 -13.624 1.00 0.00 WAT +ATOM 24498 H1 TIP3 6063 15.724 -7.941 -12.713 1.00 0.00 WAT +ATOM 24499 H2 TIP3 6063 16.341 -7.945 -14.090 1.00 0.00 WAT +ATOM 24500 OH2 TIP3 6064 17.555 -8.569 -15.462 1.00 0.00 WAT +ATOM 24501 H1 TIP3 6064 17.434 -9.504 -15.195 1.00 0.00 WAT +ATOM 24502 H2 TIP3 6064 18.444 -8.373 -15.100 1.00 0.00 WAT +ATOM 24503 OH2 TIP3 6065 20.265 -8.146 -14.537 1.00 0.00 WAT +ATOM 24504 H1 TIP3 6065 20.500 -9.067 -14.740 1.00 0.00 WAT +ATOM 24505 H2 TIP3 6065 20.310 -8.174 -13.564 1.00 0.00 WAT +ATOM 24506 OH2 TIP3 6066 23.584 -22.257 -15.255 1.00 0.00 WAT +ATOM 24507 H1 TIP3 6066 22.904 -22.938 -15.097 1.00 0.00 WAT +ATOM 24508 H2 TIP3 6066 24.221 -22.732 -15.815 1.00 0.00 WAT +ATOM 24509 OH2 TIP3 6067 28.271 -23.847 -14.652 1.00 0.00 WAT +ATOM 24510 H1 TIP3 6067 29.150 -24.108 -14.966 1.00 0.00 WAT +ATOM 24511 H2 TIP3 6067 27.709 -23.944 -15.432 1.00 0.00 WAT +ATOM 24512 OH2 TIP3 6068 30.555 -23.137 -16.997 1.00 0.00 WAT +ATOM 24513 H1 TIP3 6068 31.338 -23.585 -17.351 1.00 0.00 WAT +ATOM 24514 H2 TIP3 6068 30.901 -22.262 -16.746 1.00 0.00 WAT +ATOM 24515 OH2 TIP3 6069 15.949 -23.558 -17.677 1.00 0.00 WAT +ATOM 24516 H1 TIP3 6069 15.090 -23.697 -18.123 1.00 0.00 WAT +ATOM 24517 H2 TIP3 6069 16.377 -24.421 -17.819 1.00 0.00 WAT +ATOM 24518 OH2 TIP3 6070 14.741 -24.052 -21.842 1.00 0.00 WAT +ATOM 24519 H1 TIP3 6070 15.284 -23.394 -22.321 1.00 0.00 WAT +ATOM 24520 H2 TIP3 6070 14.363 -23.517 -21.125 1.00 0.00 WAT +ATOM 24521 OH2 TIP3 6071 20.422 -23.746 -17.804 1.00 0.00 WAT +ATOM 24522 H1 TIP3 6071 21.324 -23.410 -17.939 1.00 0.00 WAT +ATOM 24523 H2 TIP3 6071 20.393 -23.808 -16.841 1.00 0.00 WAT +ATOM 24524 OH2 TIP3 6072 25.900 -23.663 -16.509 1.00 0.00 WAT +ATOM 24525 H1 TIP3 6072 26.273 -23.896 -17.368 1.00 0.00 WAT +ATOM 24526 H2 TIP3 6072 25.612 -24.526 -16.167 1.00 0.00 WAT +ATOM 24527 OH2 TIP3 6073 27.132 -23.699 -20.439 1.00 0.00 WAT +ATOM 24528 H1 TIP3 6073 26.318 -23.160 -20.505 1.00 0.00 WAT +ATOM 24529 H2 TIP3 6073 26.760 -24.577 -20.247 1.00 0.00 WAT +ATOM 24530 OH2 TIP3 6074 14.922 -8.049 -20.840 1.00 0.00 WAT +ATOM 24531 H1 TIP3 6074 14.138 -8.152 -21.393 1.00 0.00 WAT +ATOM 24532 H2 TIP3 6074 14.892 -7.107 -20.640 1.00 0.00 WAT +ATOM 24533 OH2 TIP3 6075 16.486 -22.276 -23.346 1.00 0.00 WAT +ATOM 24534 H1 TIP3 6075 17.113 -22.768 -23.905 1.00 0.00 WAT +ATOM 24535 H2 TIP3 6075 17.096 -21.895 -22.685 1.00 0.00 WAT +ATOM 24536 OH2 TIP3 6076 21.588 -22.068 -20.751 1.00 0.00 WAT +ATOM 24537 H1 TIP3 6076 21.932 -22.627 -20.036 1.00 0.00 WAT +ATOM 24538 H2 TIP3 6076 21.753 -21.192 -20.367 1.00 0.00 WAT +ATOM 24539 OH2 TIP3 6077 23.666 -6.265 -22.536 1.00 0.00 WAT +ATOM 24540 H1 TIP3 6077 24.638 -6.289 -22.576 1.00 0.00 WAT +ATOM 24541 H2 TIP3 6077 23.440 -6.935 -23.200 1.00 0.00 WAT +ATOM 24542 OH2 TIP3 6078 30.156 -7.256 -19.952 1.00 0.00 WAT +ATOM 24543 H1 TIP3 6078 29.873 -8.078 -20.393 1.00 0.00 WAT +ATOM 24544 H2 TIP3 6078 30.060 -6.606 -20.666 1.00 0.00 WAT +ATOM 24545 OH2 TIP3 6079 15.734 -23.310 -8.195 1.00 0.00 WAT +ATOM 24546 H1 TIP3 6079 15.388 -24.130 -7.800 1.00 0.00 WAT +ATOM 24547 H2 TIP3 6079 16.649 -23.323 -7.865 1.00 0.00 WAT +ATOM 24548 OH2 TIP3 6080 18.146 -23.939 -6.425 1.00 0.00 WAT +ATOM 24549 H1 TIP3 6080 18.971 -24.286 -6.822 1.00 0.00 WAT +ATOM 24550 H2 TIP3 6080 17.797 -24.732 -5.995 1.00 0.00 WAT +ATOM 24551 OH2 TIP3 6081 16.378 -7.141 -23.824 1.00 0.00 WAT +ATOM 24552 H1 TIP3 6081 16.156 -6.936 -22.905 1.00 0.00 WAT +ATOM 24553 H2 TIP3 6081 17.148 -7.723 -23.714 1.00 0.00 WAT +ATOM 24554 OH2 TIP3 6082 26.254 -24.839 -6.246 1.00 0.00 WAT +ATOM 24555 H1 TIP3 6082 26.299 -25.230 -5.353 1.00 0.00 WAT +ATOM 24556 H2 TIP3 6082 27.193 -24.854 -6.511 1.00 0.00 WAT +ATOM 24557 OH2 TIP3 6083 29.537 -8.491 -7.490 1.00 0.00 WAT +ATOM 24558 H1 TIP3 6083 28.839 -8.655 -8.163 1.00 0.00 WAT +ATOM 24559 H2 TIP3 6083 29.401 -7.529 -7.368 1.00 0.00 WAT +ATOM 24560 OH2 TIP3 6084 42.156 -15.757 -14.267 1.00 0.00 WAT +ATOM 24561 H1 TIP3 6084 42.928 -15.421 -13.774 1.00 0.00 WAT +ATOM 24562 H2 TIP3 6084 42.470 -15.707 -15.177 1.00 0.00 WAT +ATOM 24563 OH2 TIP3 6085 35.131 -15.778 -12.710 1.00 0.00 WAT +ATOM 24564 H1 TIP3 6085 35.089 -16.515 -12.077 1.00 0.00 WAT +ATOM 24565 H2 TIP3 6085 35.827 -15.229 -12.328 1.00 0.00 WAT +ATOM 24566 OH2 TIP3 6086 35.873 -11.145 -14.131 1.00 0.00 WAT +ATOM 24567 H1 TIP3 6086 35.587 -12.040 -14.412 1.00 0.00 WAT +ATOM 24568 H2 TIP3 6086 36.815 -11.309 -13.979 1.00 0.00 WAT +ATOM 24569 OH2 TIP3 6087 32.825 -17.738 -18.847 1.00 0.00 WAT +ATOM 24570 H1 TIP3 6087 32.432 -16.870 -18.655 1.00 0.00 WAT +ATOM 24571 H2 TIP3 6087 32.053 -18.242 -19.125 1.00 0.00 WAT +ATOM 24572 OH2 TIP3 6088 33.582 -15.290 -16.961 1.00 0.00 WAT +ATOM 24573 H1 TIP3 6088 33.718 -16.057 -16.372 1.00 0.00 WAT +ATOM 24574 H2 TIP3 6088 34.455 -15.193 -17.359 1.00 0.00 WAT +ATOM 24575 OH2 TIP3 6089 41.196 -12.866 -13.654 1.00 0.00 WAT +ATOM 24576 H1 TIP3 6089 41.454 -13.578 -14.261 1.00 0.00 WAT +ATOM 24577 H2 TIP3 6089 42.048 -12.635 -13.264 1.00 0.00 WAT +ATOM 24578 OH2 TIP3 6090 37.470 -20.508 -16.191 1.00 0.00 WAT +ATOM 24579 H1 TIP3 6090 37.576 -19.645 -16.639 1.00 0.00 WAT +ATOM 24580 H2 TIP3 6090 37.076 -21.026 -16.917 1.00 0.00 WAT +ATOM 24581 OH2 TIP3 6091 34.131 -17.786 -15.689 1.00 0.00 WAT +ATOM 24582 H1 TIP3 6091 34.729 -18.268 -15.095 1.00 0.00 WAT +ATOM 24583 H2 TIP3 6091 34.227 -18.289 -16.516 1.00 0.00 WAT +ATOM 24584 OH2 TIP3 6092 39.517 -16.427 -16.209 1.00 0.00 WAT +ATOM 24585 H1 TIP3 6092 40.263 -16.951 -15.852 1.00 0.00 WAT +ATOM 24586 H2 TIP3 6092 39.012 -17.118 -16.671 1.00 0.00 WAT +ATOM 24587 OH2 TIP3 6093 36.264 -21.709 -12.030 1.00 0.00 WAT +ATOM 24588 H1 TIP3 6093 35.845 -21.220 -12.755 1.00 0.00 WAT +ATOM 24589 H2 TIP3 6093 35.583 -21.618 -11.334 1.00 0.00 WAT +ATOM 24590 OH2 TIP3 6094 39.165 -13.904 -11.866 1.00 0.00 WAT +ATOM 24591 H1 TIP3 6094 38.432 -13.299 -11.628 1.00 0.00 WAT +ATOM 24592 H2 TIP3 6094 39.801 -13.301 -12.291 1.00 0.00 WAT +ATOM 24593 OH2 TIP3 6095 35.845 -19.687 -14.087 1.00 0.00 WAT +ATOM 24594 H1 TIP3 6095 36.484 -19.097 -13.639 1.00 0.00 WAT +ATOM 24595 H2 TIP3 6095 36.417 -20.059 -14.793 1.00 0.00 WAT +ATOM 24596 OH2 TIP3 6096 37.161 -11.975 -11.140 1.00 0.00 WAT +ATOM 24597 H1 TIP3 6096 37.122 -11.075 -11.511 1.00 0.00 WAT +ATOM 24598 H2 TIP3 6096 36.271 -12.023 -10.743 1.00 0.00 WAT +ATOM 24599 OH2 TIP3 6097 33.481 -12.268 -20.293 1.00 0.00 WAT +ATOM 24600 H1 TIP3 6097 33.279 -11.747 -21.084 1.00 0.00 WAT +ATOM 24601 H2 TIP3 6097 33.656 -11.580 -19.612 1.00 0.00 WAT +ATOM 24602 OH2 TIP3 6098 40.433 -24.261 -14.873 1.00 0.00 WAT +ATOM 24603 H1 TIP3 6098 40.135 -25.190 -14.898 1.00 0.00 WAT +ATOM 24604 H2 TIP3 6098 39.630 -23.816 -14.526 1.00 0.00 WAT +ATOM 24605 OH2 TIP3 6099 42.664 -15.477 -20.286 1.00 0.00 WAT +ATOM 24606 H1 TIP3 6099 41.998 -14.766 -20.375 1.00 0.00 WAT +ATOM 24607 H2 TIP3 6099 43.363 -15.129 -20.844 1.00 0.00 WAT +ATOM 24608 OH2 TIP3 6100 42.874 -16.999 -23.042 1.00 0.00 WAT +ATOM 24609 H1 TIP3 6100 43.721 -16.922 -22.573 1.00 0.00 WAT +ATOM 24610 H2 TIP3 6100 43.020 -17.722 -23.658 1.00 0.00 WAT +ATOM 24611 OH2 TIP3 6101 37.586 -14.540 -17.297 1.00 0.00 WAT +ATOM 24612 H1 TIP3 6101 37.286 -14.976 -18.116 1.00 0.00 WAT +ATOM 24613 H2 TIP3 6101 38.242 -15.176 -16.957 1.00 0.00 WAT +ATOM 24614 OH2 TIP3 6102 38.972 -11.150 -14.539 1.00 0.00 WAT +ATOM 24615 H1 TIP3 6102 38.877 -11.528 -15.423 1.00 0.00 WAT +ATOM 24616 H2 TIP3 6102 39.775 -11.597 -14.213 1.00 0.00 WAT +ATOM 24617 OH2 TIP3 6103 38.160 -15.735 -13.805 1.00 0.00 WAT +ATOM 24618 H1 TIP3 6103 38.749 -15.720 -14.585 1.00 0.00 WAT +ATOM 24619 H2 TIP3 6103 38.554 -15.053 -13.229 1.00 0.00 WAT +ATOM 24620 OH2 TIP3 6104 39.020 -11.374 -8.970 1.00 0.00 WAT +ATOM 24621 H1 TIP3 6104 38.488 -10.683 -8.535 1.00 0.00 WAT +ATOM 24622 H2 TIP3 6104 38.409 -11.650 -9.682 1.00 0.00 WAT +ATOM 24623 OH2 TIP3 6105 35.957 -15.043 -9.841 1.00 0.00 WAT +ATOM 24624 H1 TIP3 6105 35.993 -14.440 -9.077 1.00 0.00 WAT +ATOM 24625 H2 TIP3 6105 34.994 -15.123 -9.971 1.00 0.00 WAT +ATOM 24626 OH2 TIP3 6106 42.426 -9.282 -18.078 1.00 0.00 WAT +ATOM 24627 H1 TIP3 6106 42.993 -8.809 -17.445 1.00 0.00 WAT +ATOM 24628 H2 TIP3 6106 41.954 -8.566 -18.514 1.00 0.00 WAT +ATOM 24629 OH2 TIP3 6107 37.128 -9.227 -8.157 1.00 0.00 WAT +ATOM 24630 H1 TIP3 6107 37.017 -9.151 -9.123 1.00 0.00 WAT +ATOM 24631 H2 TIP3 6107 36.228 -9.457 -7.858 1.00 0.00 WAT +ATOM 24632 OH2 TIP3 6108 36.524 -15.793 -19.775 1.00 0.00 WAT +ATOM 24633 H1 TIP3 6108 36.303 -15.023 -20.325 1.00 0.00 WAT +ATOM 24634 H2 TIP3 6108 35.818 -16.412 -20.001 1.00 0.00 WAT +ATOM 24635 OH2 TIP3 6109 32.589 -13.066 -11.091 1.00 0.00 WAT +ATOM 24636 H1 TIP3 6109 32.099 -12.958 -11.931 1.00 0.00 WAT +ATOM 24637 H2 TIP3 6109 32.607 -14.034 -10.998 1.00 0.00 WAT +ATOM 24638 OH2 TIP3 6110 33.003 -9.994 -14.367 1.00 0.00 WAT +ATOM 24639 H1 TIP3 6110 33.733 -10.526 -14.021 1.00 0.00 WAT +ATOM 24640 H2 TIP3 6110 32.324 -10.091 -13.682 1.00 0.00 WAT +ATOM 24641 OH2 TIP3 6111 41.748 -10.388 -9.406 1.00 0.00 WAT +ATOM 24642 H1 TIP3 6111 41.794 -9.462 -9.126 1.00 0.00 WAT +ATOM 24643 H2 TIP3 6111 40.810 -10.617 -9.283 1.00 0.00 WAT +ATOM 24644 OH2 TIP3 6112 41.691 -6.408 -19.665 1.00 0.00 WAT +ATOM 24645 H1 TIP3 6112 42.228 -6.542 -20.454 1.00 0.00 WAT +ATOM 24646 H2 TIP3 6112 42.162 -5.696 -19.213 1.00 0.00 WAT +ATOM 24647 OH2 TIP3 6113 35.720 -7.375 -17.933 1.00 0.00 WAT +ATOM 24648 H1 TIP3 6113 35.901 -7.829 -17.082 1.00 0.00 WAT +ATOM 24649 H2 TIP3 6113 34.883 -7.786 -18.185 1.00 0.00 WAT +ATOM 24650 OH2 TIP3 6114 34.720 -11.556 -9.787 1.00 0.00 WAT +ATOM 24651 H1 TIP3 6114 35.001 -12.070 -9.006 1.00 0.00 WAT +ATOM 24652 H2 TIP3 6114 33.981 -12.081 -10.151 1.00 0.00 WAT +ATOM 24653 OH2 TIP3 6115 37.976 -23.078 -14.066 1.00 0.00 WAT +ATOM 24654 H1 TIP3 6115 37.135 -23.184 -14.549 1.00 0.00 WAT +ATOM 24655 H2 TIP3 6115 37.727 -22.366 -13.457 1.00 0.00 WAT +ATOM 24656 OH2 TIP3 6116 42.331 -23.728 -9.766 1.00 0.00 WAT +ATOM 24657 H1 TIP3 6116 42.444 -24.460 -9.143 1.00 0.00 WAT +ATOM 24658 H2 TIP3 6116 41.415 -23.889 -10.075 1.00 0.00 WAT +ATOM 24659 OH2 TIP3 6117 42.351 -20.953 -23.000 1.00 0.00 WAT +ATOM 24660 H1 TIP3 6117 41.670 -21.100 -22.329 1.00 0.00 WAT +ATOM 24661 H2 TIP3 6117 42.050 -21.564 -23.689 1.00 0.00 WAT +ATOM 24662 OH2 TIP3 6118 37.821 -18.278 -12.595 1.00 0.00 WAT +ATOM 24663 H1 TIP3 6118 37.148 -18.188 -11.900 1.00 0.00 WAT +ATOM 24664 H2 TIP3 6118 37.862 -17.375 -12.980 1.00 0.00 WAT +ATOM 24665 OH2 TIP3 6119 37.746 -18.225 -17.744 1.00 0.00 WAT +ATOM 24666 H1 TIP3 6119 36.784 -18.302 -17.885 1.00 0.00 WAT +ATOM 24667 H2 TIP3 6119 38.071 -18.403 -18.645 1.00 0.00 WAT +ATOM 24668 OH2 TIP3 6120 42.979 -18.035 -18.938 1.00 0.00 WAT +ATOM 24669 H1 TIP3 6120 42.677 -17.106 -18.954 1.00 0.00 WAT +ATOM 24670 H2 TIP3 6120 43.141 -18.195 -19.872 1.00 0.00 WAT +ATOM 24671 OH2 TIP3 6121 42.543 -17.385 -7.391 1.00 0.00 WAT +ATOM 24672 H1 TIP3 6121 41.943 -18.155 -7.285 1.00 0.00 WAT +ATOM 24673 H2 TIP3 6121 43.393 -17.870 -7.416 1.00 0.00 WAT +ATOM 24674 OH2 TIP3 6122 35.226 -18.137 -10.805 1.00 0.00 WAT +ATOM 24675 H1 TIP3 6122 35.366 -17.809 -9.911 1.00 0.00 WAT +ATOM 24676 H2 TIP3 6122 34.805 -18.998 -10.632 1.00 0.00 WAT +ATOM 24677 OH2 TIP3 6123 38.642 -20.508 -24.223 1.00 0.00 WAT +ATOM 24678 H1 TIP3 6123 38.243 -20.853 -23.399 1.00 0.00 WAT +ATOM 24679 H2 TIP3 6123 37.869 -20.371 -24.783 1.00 0.00 WAT +ATOM 24680 OH2 TIP3 6124 32.034 -20.615 -17.192 1.00 0.00 WAT +ATOM 24681 H1 TIP3 6124 32.577 -20.680 -16.382 1.00 0.00 WAT +ATOM 24682 H2 TIP3 6124 32.540 -21.118 -17.842 1.00 0.00 WAT +ATOM 24683 OH2 TIP3 6125 33.554 -20.256 -21.481 1.00 0.00 WAT +ATOM 24684 H1 TIP3 6125 34.135 -19.749 -22.083 1.00 0.00 WAT +ATOM 24685 H2 TIP3 6125 32.904 -19.572 -21.233 1.00 0.00 WAT +ATOM 24686 OH2 TIP3 6126 43.531 -16.889 -11.339 1.00 0.00 WAT +ATOM 24687 H1 TIP3 6126 43.791 -17.525 -12.040 1.00 0.00 WAT +ATOM 24688 H2 TIP3 6126 42.708 -17.292 -11.036 1.00 0.00 WAT +ATOM 24689 OH2 TIP3 6127 40.455 -20.876 -16.680 1.00 0.00 WAT +ATOM 24690 H1 TIP3 6127 39.517 -20.751 -16.453 1.00 0.00 WAT +ATOM 24691 H2 TIP3 6127 40.871 -20.594 -15.847 1.00 0.00 WAT +ATOM 24692 OH2 TIP3 6128 35.100 -19.395 -18.046 1.00 0.00 WAT +ATOM 24693 H1 TIP3 6128 34.269 -19.130 -18.481 1.00 0.00 WAT +ATOM 24694 H2 TIP3 6128 35.364 -20.200 -18.528 1.00 0.00 WAT +ATOM 24695 OH2 TIP3 6129 38.663 -19.100 -20.408 1.00 0.00 WAT +ATOM 24696 H1 TIP3 6129 39.623 -19.006 -20.303 1.00 0.00 WAT +ATOM 24697 H2 TIP3 6129 38.429 -18.439 -21.083 1.00 0.00 WAT +ATOM 24698 OH2 TIP3 6130 37.192 -17.816 -22.609 1.00 0.00 WAT +ATOM 24699 H1 TIP3 6130 36.613 -18.102 -23.331 1.00 0.00 WAT +ATOM 24700 H2 TIP3 6130 38.021 -17.648 -23.085 1.00 0.00 WAT +ATOM 24701 OH2 TIP3 6131 35.856 -13.101 -7.578 1.00 0.00 WAT +ATOM 24702 H1 TIP3 6131 36.482 -12.939 -6.849 1.00 0.00 WAT +ATOM 24703 H2 TIP3 6131 35.016 -13.121 -7.080 1.00 0.00 WAT +ATOM 24704 OH2 TIP3 6132 41.410 -18.524 -15.329 1.00 0.00 WAT +ATOM 24705 H1 TIP3 6132 42.229 -18.847 -15.722 1.00 0.00 WAT +ATOM 24706 H2 TIP3 6132 41.613 -18.569 -14.378 1.00 0.00 WAT +ATOM 24707 OH2 TIP3 6133 36.824 -21.679 -18.760 1.00 0.00 WAT +ATOM 24708 H1 TIP3 6133 36.251 -22.440 -18.556 1.00 0.00 WAT +ATOM 24709 H2 TIP3 6133 37.639 -22.102 -19.058 1.00 0.00 WAT +ATOM 24710 OH2 TIP3 6134 40.503 -19.729 -12.612 1.00 0.00 WAT +ATOM 24711 H1 TIP3 6134 39.784 -19.088 -12.749 1.00 0.00 WAT +ATOM 24712 H2 TIP3 6134 40.989 -19.333 -11.868 1.00 0.00 WAT +ATOM 24713 OH2 TIP3 6135 40.723 -13.416 -20.686 1.00 0.00 WAT +ATOM 24714 H1 TIP3 6135 39.930 -13.848 -21.062 1.00 0.00 WAT +ATOM 24715 H2 TIP3 6135 40.480 -13.285 -19.741 1.00 0.00 WAT +ATOM 24716 OH2 TIP3 6136 42.128 -13.373 -9.437 1.00 0.00 WAT +ATOM 24717 H1 TIP3 6136 41.796 -13.466 -8.542 1.00 0.00 WAT +ATOM 24718 H2 TIP3 6136 42.135 -12.412 -9.577 1.00 0.00 WAT +ATOM 24719 OH2 TIP3 6137 35.807 -13.837 -14.922 1.00 0.00 WAT +ATOM 24720 H1 TIP3 6137 36.362 -13.967 -15.708 1.00 0.00 WAT +ATOM 24721 H2 TIP3 6137 35.834 -14.714 -14.506 1.00 0.00 WAT +ATOM 24722 OH2 TIP3 6138 42.865 -12.009 -21.696 1.00 0.00 WAT +ATOM 24723 H1 TIP3 6138 42.613 -11.094 -21.462 1.00 0.00 WAT +ATOM 24724 H2 TIP3 6138 42.077 -12.499 -21.385 1.00 0.00 WAT +ATOM 24725 OH2 TIP3 6139 33.072 -15.578 -9.658 1.00 0.00 WAT +ATOM 24726 H1 TIP3 6139 33.163 -16.041 -8.804 1.00 0.00 WAT +ATOM 24727 H2 TIP3 6139 32.438 -16.129 -10.148 1.00 0.00 WAT +ATOM 24728 OH2 TIP3 6140 40.024 -16.058 -7.610 1.00 0.00 WAT +ATOM 24729 H1 TIP3 6140 39.609 -16.394 -8.427 1.00 0.00 WAT +ATOM 24730 H2 TIP3 6140 40.950 -16.332 -7.744 1.00 0.00 WAT +ATOM 24731 OH2 TIP3 6141 38.154 -10.573 -17.677 1.00 0.00 WAT +ATOM 24732 H1 TIP3 6141 38.583 -9.711 -17.795 1.00 0.00 WAT +ATOM 24733 H2 TIP3 6141 37.234 -10.363 -17.878 1.00 0.00 WAT +ATOM 24734 OH2 TIP3 6142 34.098 -15.638 -23.165 1.00 0.00 WAT +ATOM 24735 H1 TIP3 6142 34.705 -15.030 -22.701 1.00 0.00 WAT +ATOM 24736 H2 TIP3 6142 33.261 -15.474 -22.686 1.00 0.00 WAT +ATOM 24737 OH2 TIP3 6143 39.947 -12.895 -18.060 1.00 0.00 WAT +ATOM 24738 H1 TIP3 6143 39.706 -11.967 -17.911 1.00 0.00 WAT +ATOM 24739 H2 TIP3 6143 39.210 -13.357 -17.632 1.00 0.00 WAT +ATOM 24740 OH2 TIP3 6144 40.201 -8.573 -11.646 1.00 0.00 WAT +ATOM 24741 H1 TIP3 6144 40.764 -7.856 -12.009 1.00 0.00 WAT +ATOM 24742 H2 TIP3 6144 40.864 -9.095 -11.176 1.00 0.00 WAT +ATOM 24743 OH2 TIP3 6145 38.594 -7.670 -18.452 1.00 0.00 WAT +ATOM 24744 H1 TIP3 6145 37.643 -7.503 -18.360 1.00 0.00 WAT +ATOM 24745 H2 TIP3 6145 38.974 -6.801 -18.229 1.00 0.00 WAT +ATOM 24746 OH2 TIP3 6146 34.348 -20.908 -10.008 1.00 0.00 WAT +ATOM 24747 H1 TIP3 6146 33.451 -20.657 -10.311 1.00 0.00 WAT +ATOM 24748 H2 TIP3 6146 34.182 -21.809 -9.679 1.00 0.00 WAT +ATOM 24749 OH2 TIP3 6147 34.165 -9.131 -11.618 1.00 0.00 WAT +ATOM 24750 H1 TIP3 6147 34.364 -10.067 -11.488 1.00 0.00 WAT +ATOM 24751 H2 TIP3 6147 34.376 -8.768 -10.752 1.00 0.00 WAT +ATOM 24752 OH2 TIP3 6148 39.867 -10.471 -24.651 1.00 0.00 WAT +ATOM 24753 H1 TIP3 6148 40.327 -11.202 -25.107 1.00 0.00 WAT +ATOM 24754 H2 TIP3 6148 39.593 -10.921 -23.836 1.00 0.00 WAT +ATOM 24755 OH2 TIP3 6149 38.804 -11.062 -21.833 1.00 0.00 WAT +ATOM 24756 H1 TIP3 6149 39.359 -11.545 -21.207 1.00 0.00 WAT +ATOM 24757 H2 TIP3 6149 38.976 -10.132 -21.577 1.00 0.00 WAT +ATOM 24758 OH2 TIP3 6150 35.621 -13.568 -21.551 1.00 0.00 WAT +ATOM 24759 H1 TIP3 6150 34.934 -13.158 -20.986 1.00 0.00 WAT +ATOM 24760 H2 TIP3 6150 36.156 -12.792 -21.787 1.00 0.00 WAT +ATOM 24761 OH2 TIP3 6151 43.394 -20.642 -10.954 1.00 0.00 WAT +ATOM 24762 H1 TIP3 6151 43.799 -21.450 -10.633 1.00 0.00 WAT +ATOM 24763 H2 TIP3 6151 42.763 -20.984 -11.607 1.00 0.00 WAT +ATOM 24764 OH2 TIP3 6152 41.634 -9.421 -21.370 1.00 0.00 WAT +ATOM 24765 H1 TIP3 6152 40.899 -8.822 -21.160 1.00 0.00 WAT +ATOM 24766 H2 TIP3 6152 42.241 -8.853 -21.852 1.00 0.00 WAT +ATOM 24767 OH2 TIP3 6153 41.154 -19.952 -19.277 1.00 0.00 WAT +ATOM 24768 H1 TIP3 6153 41.875 -19.324 -19.050 1.00 0.00 WAT +ATOM 24769 H2 TIP3 6153 40.810 -20.120 -18.377 1.00 0.00 WAT +ATOM 24770 OH2 TIP3 6154 41.604 -18.828 -10.078 1.00 0.00 WAT +ATOM 24771 H1 TIP3 6154 41.845 -18.238 -9.355 1.00 0.00 WAT +ATOM 24772 H2 TIP3 6154 42.362 -19.442 -10.136 1.00 0.00 WAT +ATOM 24773 OH2 TIP3 6155 41.955 -22.708 -18.096 1.00 0.00 WAT +ATOM 24774 H1 TIP3 6155 41.645 -21.924 -17.586 1.00 0.00 WAT +ATOM 24775 H2 TIP3 6155 42.722 -22.339 -18.568 1.00 0.00 WAT +ATOM 24776 OH2 TIP3 6156 38.887 -8.304 -21.303 1.00 0.00 WAT +ATOM 24777 H1 TIP3 6156 38.906 -7.472 -21.818 1.00 0.00 WAT +ATOM 24778 H2 TIP3 6156 38.818 -7.974 -20.387 1.00 0.00 WAT +ATOM 24779 OH2 TIP3 6157 37.691 -21.610 -21.865 1.00 0.00 WAT +ATOM 24780 H1 TIP3 6157 37.682 -20.869 -21.232 1.00 0.00 WAT +ATOM 24781 H2 TIP3 6157 38.486 -22.095 -21.586 1.00 0.00 WAT +ATOM 24782 OH2 TIP3 6158 36.088 -10.727 -22.799 1.00 0.00 WAT +ATOM 24783 H1 TIP3 6158 36.801 -10.238 -22.355 1.00 0.00 WAT +ATOM 24784 H2 TIP3 6158 36.624 -11.256 -23.412 1.00 0.00 WAT +ATOM 24785 OH2 TIP3 6159 34.241 -18.549 -23.635 1.00 0.00 WAT +ATOM 24786 H1 TIP3 6159 34.398 -17.607 -23.450 1.00 0.00 WAT +ATOM 24787 H2 TIP3 6159 33.346 -18.537 -23.985 1.00 0.00 WAT +ATOM 24788 OH2 TIP3 6160 35.207 -23.563 -14.839 1.00 0.00 WAT +ATOM 24789 H1 TIP3 6160 34.934 -23.592 -15.774 1.00 0.00 WAT +ATOM 24790 H2 TIP3 6160 34.810 -24.386 -14.474 1.00 0.00 WAT +ATOM 24791 OH2 TIP3 6161 34.023 -10.086 -18.630 1.00 0.00 WAT +ATOM 24792 H1 TIP3 6161 33.316 -9.555 -18.237 1.00 0.00 WAT +ATOM 24793 H2 TIP3 6161 34.406 -9.478 -19.280 1.00 0.00 WAT +ATOM 24794 OH2 TIP3 6162 33.423 -7.066 -7.372 1.00 0.00 WAT +ATOM 24795 H1 TIP3 6162 33.886 -7.356 -6.569 1.00 0.00 WAT +ATOM 24796 H2 TIP3 6162 32.934 -7.864 -7.641 1.00 0.00 WAT +ATOM 24797 OH2 TIP3 6163 38.111 -8.126 -5.599 1.00 0.00 WAT +ATOM 24798 H1 TIP3 6163 38.849 -8.745 -5.483 1.00 0.00 WAT +ATOM 24799 H2 TIP3 6163 37.874 -8.304 -6.526 1.00 0.00 WAT +ATOM 24800 OH2 TIP3 6164 42.311 -8.806 -24.429 1.00 0.00 WAT +ATOM 24801 H1 TIP3 6164 41.526 -9.380 -24.323 1.00 0.00 WAT +ATOM 24802 H2 TIP3 6164 43.001 -9.495 -24.428 1.00 0.00 WAT +ATOM 24803 OH2 TIP3 6165 33.424 -13.491 -6.304 1.00 0.00 WAT +ATOM 24804 H1 TIP3 6165 33.502 -14.390 -6.666 1.00 0.00 WAT +ATOM 24805 H2 TIP3 6165 32.652 -13.166 -6.810 1.00 0.00 WAT +ATOM 24806 OH2 TIP3 6166 37.605 -13.084 -24.299 1.00 0.00 WAT +ATOM 24807 H1 TIP3 6166 37.818 -13.663 -23.549 1.00 0.00 WAT +ATOM 24808 H2 TIP3 6166 38.467 -13.067 -24.762 1.00 0.00 WAT +ATOM 24809 OH2 TIP3 6167 40.066 -13.300 -6.983 1.00 0.00 WAT +ATOM 24810 H1 TIP3 6167 39.778 -12.961 -7.850 1.00 0.00 WAT +ATOM 24811 H2 TIP3 6167 40.153 -14.263 -7.150 1.00 0.00 WAT +ATOM 24812 OH2 TIP3 6168 42.479 -11.701 -24.689 1.00 0.00 WAT +ATOM 24813 H1 TIP3 6168 42.885 -11.581 -23.810 1.00 0.00 WAT +ATOM 24814 H2 TIP3 6168 42.525 -12.665 -24.778 1.00 0.00 WAT +ATOM 24815 OH2 TIP3 6169 34.284 -16.316 -7.117 1.00 0.00 WAT +ATOM 24816 H1 TIP3 6169 34.957 -17.013 -7.109 1.00 0.00 WAT +ATOM 24817 H2 TIP3 6169 34.152 -16.165 -6.170 1.00 0.00 WAT +ATOM 24818 OH2 TIP3 6170 38.680 -15.001 -21.985 1.00 0.00 WAT +ATOM 24819 H1 TIP3 6170 38.086 -15.516 -21.422 1.00 0.00 WAT +ATOM 24820 H2 TIP3 6170 39.023 -15.684 -22.592 1.00 0.00 WAT +ATOM 24821 OH2 TIP3 6171 37.997 -17.143 -9.606 1.00 0.00 WAT +ATOM 24822 H1 TIP3 6171 37.361 -16.405 -9.538 1.00 0.00 WAT +ATOM 24823 H2 TIP3 6171 38.487 -16.901 -10.407 1.00 0.00 WAT +ATOM 24824 OH2 TIP3 6172 39.790 -17.017 -23.679 1.00 0.00 WAT +ATOM 24825 H1 TIP3 6172 39.712 -16.900 -24.645 1.00 0.00 WAT +ATOM 24826 H2 TIP3 6172 40.741 -16.855 -23.550 1.00 0.00 WAT +ATOM 24827 OH2 TIP3 6173 42.852 -14.689 -5.977 1.00 0.00 WAT +ATOM 24828 H1 TIP3 6173 43.520 -14.993 -6.599 1.00 0.00 WAT +ATOM 24829 H2 TIP3 6173 42.667 -15.532 -5.521 1.00 0.00 WAT +ATOM 24830 OH2 TIP3 6174 38.581 -19.907 -8.536 1.00 0.00 WAT +ATOM 24831 H1 TIP3 6174 38.608 -20.578 -9.243 1.00 0.00 WAT +ATOM 24832 H2 TIP3 6174 38.397 -19.102 -9.049 1.00 0.00 WAT +ATOM 24833 OH2 TIP3 6175 38.870 -21.478 -11.117 1.00 0.00 WAT +ATOM 24834 H1 TIP3 6175 39.350 -20.902 -11.747 1.00 0.00 WAT +ATOM 24835 H2 TIP3 6175 37.950 -21.451 -11.458 1.00 0.00 WAT +ATOM 24836 OH2 TIP3 6176 40.718 -16.075 -10.789 1.00 0.00 WAT +ATOM 24837 H1 TIP3 6176 41.350 -16.067 -11.517 1.00 0.00 WAT +ATOM 24838 H2 TIP3 6176 40.281 -15.217 -10.921 1.00 0.00 WAT +ATOM 24839 OH2 TIP3 6177 36.825 -18.134 -6.667 1.00 0.00 WAT +ATOM 24840 H1 TIP3 6177 36.224 -18.897 -6.759 1.00 0.00 WAT +ATOM 24841 H2 TIP3 6177 37.551 -18.394 -7.257 1.00 0.00 WAT +ATOM 24842 OH2 TIP3 6178 39.709 -24.099 -10.762 1.00 0.00 WAT +ATOM 24843 H1 TIP3 6178 39.470 -23.162 -10.934 1.00 0.00 WAT +ATOM 24844 H2 TIP3 6178 39.036 -24.556 -11.305 1.00 0.00 WAT +ATOM 24845 OH2 TIP3 6179 41.026 -19.630 -6.990 1.00 0.00 WAT +ATOM 24846 H1 TIP3 6179 40.606 -19.934 -6.171 1.00 0.00 WAT +ATOM 24847 H2 TIP3 6179 40.319 -19.839 -7.632 1.00 0.00 WAT +ATOM 24848 OH2 TIP3 6180 35.428 -20.634 -6.942 1.00 0.00 WAT +ATOM 24849 H1 TIP3 6180 35.298 -21.327 -7.613 1.00 0.00 WAT +ATOM 24850 H2 TIP3 6180 35.161 -21.105 -6.132 1.00 0.00 WAT +ATOM 24851 OH2 TIP3 6181 39.462 -24.631 -7.927 1.00 0.00 WAT +ATOM 24852 H1 TIP3 6181 40.054 -25.395 -7.908 1.00 0.00 WAT +ATOM 24853 H2 TIP3 6181 39.394 -24.472 -8.889 1.00 0.00 WAT +ATOM 24854 OH2 TIP3 6182 40.358 -22.816 -5.997 1.00 0.00 WAT +ATOM 24855 H1 TIP3 6182 40.093 -23.383 -6.750 1.00 0.00 WAT +ATOM 24856 H2 TIP3 6182 39.694 -22.110 -6.037 1.00 0.00 WAT +ATOM 24857 OH2 TIP3 6183 39.555 -5.758 -22.578 1.00 0.00 WAT +ATOM 24858 H1 TIP3 6183 40.518 -5.696 -22.489 1.00 0.00 WAT +ATOM 24859 H2 TIP3 6183 39.413 -5.340 -23.432 1.00 0.00 WAT +ATOM 24860 OH2 TIP3 6184 33.295 -11.371 -23.114 1.00 0.00 WAT +ATOM 24861 H1 TIP3 6184 34.249 -11.198 -22.952 1.00 0.00 WAT +ATOM 24862 H2 TIP3 6184 33.335 -12.126 -23.730 1.00 0.00 WAT +ATOM 24863 OH2 TIP3 6185 32.341 -6.151 -18.332 1.00 0.00 WAT +ATOM 24864 H1 TIP3 6185 31.606 -6.529 -18.852 1.00 0.00 WAT +ATOM 24865 H2 TIP3 6185 32.443 -6.828 -17.629 1.00 0.00 WAT +ATOM 24866 OH2 TIP3 6186 32.733 -8.125 -16.399 1.00 0.00 WAT +ATOM 24867 H1 TIP3 6186 32.509 -9.011 -16.049 1.00 0.00 WAT +ATOM 24868 H2 TIP3 6186 33.018 -7.754 -15.549 1.00 0.00 WAT +ATOM 24869 OH2 TIP3 6187 32.682 -14.776 -13.895 1.00 0.00 WAT +ATOM 24870 H1 TIP3 6187 32.817 -14.496 -14.812 1.00 0.00 WAT +ATOM 24871 H2 TIP3 6187 33.597 -14.817 -13.564 1.00 0.00 WAT +ATOM 24872 OH2 TIP3 6188 32.753 -19.419 -7.455 1.00 0.00 WAT +ATOM 24873 H1 TIP3 6188 33.665 -19.743 -7.550 1.00 0.00 WAT +ATOM 24874 H2 TIP3 6188 32.253 -20.255 -7.492 1.00 0.00 WAT +ATOM 24875 OH2 TIP3 6189 33.491 -21.113 -14.792 1.00 0.00 WAT +ATOM 24876 H1 TIP3 6189 33.910 -21.974 -14.628 1.00 0.00 WAT +ATOM 24877 H2 TIP3 6189 34.143 -20.511 -14.387 1.00 0.00 WAT +ATOM 24878 OH2 TIP3 6190 32.077 -18.463 -13.683 1.00 0.00 WAT +ATOM 24879 H1 TIP3 6190 32.618 -18.408 -14.486 1.00 0.00 WAT +ATOM 24880 H2 TIP3 6190 32.350 -17.659 -13.219 1.00 0.00 WAT +ATOM 24881 OH2 TIP3 6191 32.544 -22.166 -19.725 1.00 0.00 WAT +ATOM 24882 H1 TIP3 6191 31.581 -22.045 -19.801 1.00 0.00 WAT +ATOM 24883 H2 TIP3 6191 32.909 -21.467 -20.302 1.00 0.00 WAT +ATOM 24884 OH2 TIP3 6192 32.569 -23.075 -11.404 1.00 0.00 WAT +ATOM 24885 H1 TIP3 6192 31.907 -23.633 -10.978 1.00 0.00 WAT +ATOM 24886 H2 TIP3 6192 32.061 -22.728 -12.158 1.00 0.00 WAT +ATOM 24887 OH2 TIP3 6193 34.555 -10.128 -6.773 1.00 0.00 WAT +ATOM 24888 H1 TIP3 6193 33.865 -10.095 -7.456 1.00 0.00 WAT +ATOM 24889 H2 TIP3 6193 34.031 -10.109 -5.964 1.00 0.00 WAT +ATOM 24890 OH2 TIP3 6194 37.418 -9.106 -11.103 1.00 0.00 WAT +ATOM 24891 H1 TIP3 6194 37.068 -8.282 -11.486 1.00 0.00 WAT +ATOM 24892 H2 TIP3 6194 38.366 -8.997 -11.313 1.00 0.00 WAT +ATOM 24893 OH2 TIP3 6195 42.193 -7.492 -8.246 1.00 0.00 WAT +ATOM 24894 H1 TIP3 6195 42.054 -7.855 -7.358 1.00 0.00 WAT +ATOM 24895 H2 TIP3 6195 43.139 -7.265 -8.194 1.00 0.00 WAT +ATOM 24896 OH2 TIP3 6196 34.799 -6.143 -10.789 1.00 0.00 WAT +ATOM 24897 H1 TIP3 6196 34.166 -5.590 -11.281 1.00 0.00 WAT +ATOM 24898 H2 TIP3 6196 34.438 -6.061 -9.897 1.00 0.00 WAT +ATOM 24899 OH2 TIP3 6197 37.314 -6.370 -12.206 1.00 0.00 WAT +ATOM 24900 H1 TIP3 6197 36.434 -6.232 -11.799 1.00 0.00 WAT +ATOM 24901 H2 TIP3 6197 37.306 -5.714 -12.923 1.00 0.00 WAT +ATOM 24902 OH2 TIP3 6198 41.961 -6.624 -12.672 1.00 0.00 WAT +ATOM 24903 H1 TIP3 6198 41.780 -6.163 -13.506 1.00 0.00 WAT +ATOM 24904 H2 TIP3 6198 42.569 -6.025 -12.229 1.00 0.00 WAT +ATOM 24905 OH2 TIP3 6199 34.402 -7.289 -13.821 1.00 0.00 WAT +ATOM 24906 H1 TIP3 6199 34.256 -7.868 -13.038 1.00 0.00 WAT +ATOM 24907 H2 TIP3 6199 35.049 -7.835 -14.306 1.00 0.00 WAT +ATOM 24908 OH2 TIP3 6200 36.364 -8.632 -15.464 1.00 0.00 WAT +ATOM 24909 H1 TIP3 6200 36.168 -9.540 -15.151 1.00 0.00 WAT +ATOM 24910 H2 TIP3 6200 37.258 -8.484 -15.101 1.00 0.00 WAT +ATOM 24911 OH2 TIP3 6201 39.136 -8.122 -14.537 1.00 0.00 WAT +ATOM 24912 H1 TIP3 6201 39.340 -9.043 -14.774 1.00 0.00 WAT +ATOM 24913 H2 TIP3 6201 39.193 -8.165 -13.570 1.00 0.00 WAT +ATOM 24914 OH2 TIP3 6202 42.702 -22.661 -15.173 1.00 0.00 WAT +ATOM 24915 H1 TIP3 6202 41.823 -23.066 -15.067 1.00 0.00 WAT +ATOM 24916 H2 TIP3 6202 42.931 -22.944 -16.063 1.00 0.00 WAT +ATOM 24917 OH2 TIP3 6203 34.825 -23.542 -17.726 1.00 0.00 WAT +ATOM 24918 H1 TIP3 6203 33.944 -23.704 -18.118 1.00 0.00 WAT +ATOM 24919 H2 TIP3 6203 35.228 -24.425 -17.793 1.00 0.00 WAT +ATOM 24920 OH2 TIP3 6204 33.505 -24.011 -21.873 1.00 0.00 WAT +ATOM 24921 H1 TIP3 6204 34.121 -23.379 -22.290 1.00 0.00 WAT +ATOM 24922 H2 TIP3 6204 33.222 -23.524 -21.077 1.00 0.00 WAT +ATOM 24923 OH2 TIP3 6205 39.328 -23.736 -17.801 1.00 0.00 WAT +ATOM 24924 H1 TIP3 6205 40.252 -23.427 -17.855 1.00 0.00 WAT +ATOM 24925 H2 TIP3 6205 39.226 -23.808 -16.844 1.00 0.00 WAT +ATOM 24926 OH2 TIP3 6206 33.819 -8.104 -20.661 1.00 0.00 WAT +ATOM 24927 H1 TIP3 6206 33.154 -8.197 -21.357 1.00 0.00 WAT +ATOM 24928 H2 TIP3 6206 33.790 -7.150 -20.509 1.00 0.00 WAT +ATOM 24929 OH2 TIP3 6207 35.335 -22.246 -23.389 1.00 0.00 WAT +ATOM 24930 H1 TIP3 6207 35.959 -22.813 -23.874 1.00 0.00 WAT +ATOM 24931 H2 TIP3 6207 35.915 -21.895 -22.684 1.00 0.00 WAT +ATOM 24932 OH2 TIP3 6208 40.635 -22.106 -20.818 1.00 0.00 WAT +ATOM 24933 H1 TIP3 6208 40.625 -22.717 -20.067 1.00 0.00 WAT +ATOM 24934 H2 TIP3 6208 40.607 -21.245 -20.353 1.00 0.00 WAT +ATOM 24935 OH2 TIP3 6209 42.709 -6.213 -22.791 1.00 0.00 WAT +ATOM 24936 H1 TIP3 6209 43.642 -6.209 -22.487 1.00 0.00 WAT +ATOM 24937 H2 TIP3 6209 42.640 -7.062 -23.253 1.00 0.00 WAT +ATOM 24938 OH2 TIP3 6210 34.589 -23.283 -8.064 1.00 0.00 WAT +ATOM 24939 H1 TIP3 6210 34.189 -24.136 -7.815 1.00 0.00 WAT +ATOM 24940 H2 TIP3 6210 35.527 -23.465 -7.918 1.00 0.00 WAT +ATOM 24941 OH2 TIP3 6211 37.043 -23.918 -6.354 1.00 0.00 WAT +ATOM 24942 H1 TIP3 6211 37.830 -24.296 -6.792 1.00 0.00 WAT +ATOM 24943 H2 TIP3 6211 36.615 -24.717 -6.008 1.00 0.00 WAT +ATOM 24944 OH2 TIP3 6212 35.217 -7.178 -23.856 1.00 0.00 WAT +ATOM 24945 H1 TIP3 6212 34.996 -6.908 -22.952 1.00 0.00 WAT +ATOM 24946 H2 TIP3 6212 36.001 -7.735 -23.715 1.00 0.00 WAT +ATOM 24947 OH2 TIP3 6213 -31.606 4.027 -17.386 1.00 0.00 WAT +ATOM 24948 H1 TIP3 6213 -31.584 4.993 -17.294 1.00 0.00 WAT +ATOM 24949 H2 TIP3 6213 -32.353 3.904 -17.990 1.00 0.00 WAT +ATOM 24950 OH2 TIP3 6214 -32.813 3.493 -14.334 1.00 0.00 WAT +ATOM 24951 H1 TIP3 6214 -32.781 2.907 -13.561 1.00 0.00 WAT +ATOM 24952 H2 TIP3 6214 -33.034 2.869 -15.041 1.00 0.00 WAT +ATOM 24953 OH2 TIP3 6215 -40.284 3.083 -12.700 1.00 0.00 WAT +ATOM 24954 H1 TIP3 6215 -40.331 2.337 -12.072 1.00 0.00 WAT +ATOM 24955 H2 TIP3 6215 -39.587 3.618 -12.296 1.00 0.00 WAT +ATOM 24956 OH2 TIP3 6216 -29.103 6.145 -16.121 1.00 0.00 WAT +ATOM 24957 H1 TIP3 6216 -29.452 5.418 -15.585 1.00 0.00 WAT +ATOM 24958 H2 TIP3 6216 -28.826 6.768 -15.428 1.00 0.00 WAT +ATOM 24959 OH2 TIP3 6217 -39.596 7.697 -14.215 1.00 0.00 WAT +ATOM 24960 H1 TIP3 6217 -39.877 6.795 -14.463 1.00 0.00 WAT +ATOM 24961 H2 TIP3 6217 -38.671 7.538 -13.977 1.00 0.00 WAT +ATOM 24962 OH2 TIP3 6218 -42.215 1.457 -20.139 1.00 0.00 WAT +ATOM 24963 H1 TIP3 6218 -42.532 2.194 -19.597 1.00 0.00 WAT +ATOM 24964 H2 TIP3 6218 -42.882 0.784 -19.944 1.00 0.00 WAT +ATOM 24965 OH2 TIP3 6219 -42.056 3.443 -17.146 1.00 0.00 WAT +ATOM 24966 H1 TIP3 6219 -41.871 2.824 -16.423 1.00 0.00 WAT +ATOM 24967 H2 TIP3 6219 -41.197 3.856 -17.292 1.00 0.00 WAT +ATOM 24968 OH2 TIP3 6220 -31.984 11.610 -15.452 1.00 0.00 WAT +ATOM 24969 H1 TIP3 6220 -31.426 10.878 -15.781 1.00 0.00 WAT +ATOM 24970 H2 TIP3 6220 -32.289 11.253 -14.606 1.00 0.00 WAT +ATOM 24971 OH2 TIP3 6221 -34.254 6.007 -13.784 1.00 0.00 WAT +ATOM 24972 H1 TIP3 6221 -33.943 5.262 -14.331 1.00 0.00 WAT +ATOM 24973 H2 TIP3 6221 -33.440 6.157 -13.268 1.00 0.00 WAT +ATOM 24974 OH2 TIP3 6222 -30.951 0.344 -13.279 1.00 0.00 WAT +ATOM 24975 H1 TIP3 6222 -30.842 -0.616 -13.185 1.00 0.00 WAT +ATOM 24976 H2 TIP3 6222 -31.050 0.443 -14.240 1.00 0.00 WAT +ATOM 24977 OH2 TIP3 6223 -37.999 -1.668 -16.194 1.00 0.00 WAT +ATOM 24978 H1 TIP3 6223 -37.856 -0.821 -16.660 1.00 0.00 WAT +ATOM 24979 H2 TIP3 6223 -38.329 -2.221 -16.932 1.00 0.00 WAT +ATOM 24980 OH2 TIP3 6224 -30.148 -1.486 -17.879 1.00 0.00 WAT +ATOM 24981 H1 TIP3 6224 -29.552 -1.898 -17.224 1.00 0.00 WAT +ATOM 24982 H2 TIP3 6224 -29.516 -0.989 -18.419 1.00 0.00 WAT +ATOM 24983 OH2 TIP3 6225 -41.379 1.084 -15.675 1.00 0.00 WAT +ATOM 24984 H1 TIP3 6225 -40.801 0.673 -15.008 1.00 0.00 WAT +ATOM 24985 H2 TIP3 6225 -41.181 0.525 -16.447 1.00 0.00 WAT +ATOM 24986 OH2 TIP3 6226 -35.932 2.457 -16.224 1.00 0.00 WAT +ATOM 24987 H1 TIP3 6226 -35.216 1.914 -15.839 1.00 0.00 WAT +ATOM 24988 H2 TIP3 6226 -36.432 1.783 -16.721 1.00 0.00 WAT +ATOM 24989 OH2 TIP3 6227 -39.178 -2.833 -12.012 1.00 0.00 WAT +ATOM 24990 H1 TIP3 6227 -39.648 -2.440 -12.760 1.00 0.00 WAT +ATOM 24991 H2 TIP3 6227 -39.812 -2.662 -11.288 1.00 0.00 WAT +ATOM 24992 OH2 TIP3 6228 -31.661 6.942 -18.660 1.00 0.00 WAT +ATOM 24993 H1 TIP3 6228 -32.063 6.619 -19.469 1.00 0.00 WAT +ATOM 24994 H2 TIP3 6228 -32.172 7.748 -18.469 1.00 0.00 WAT +ATOM 24995 OH2 TIP3 6229 -36.255 5.011 -11.915 1.00 0.00 WAT +ATOM 24996 H1 TIP3 6229 -36.987 5.606 -11.647 1.00 0.00 WAT +ATOM 24997 H2 TIP3 6229 -35.630 5.627 -12.338 1.00 0.00 WAT +ATOM 24998 OH2 TIP3 6230 -28.249 -2.154 -15.718 1.00 0.00 WAT +ATOM 24999 H1 TIP3 6230 -28.741 -2.702 -15.090 1.00 0.00 WAT +ATOM 25000 H2 TIP3 6230 -27.753 -1.549 -15.136 1.00 0.00 WAT +ATOM 25001 OH2 TIP3 6231 -39.582 -0.773 -14.129 1.00 0.00 WAT +ATOM 25002 H1 TIP3 6231 -38.924 -0.227 -13.650 1.00 0.00 WAT +ATOM 25003 H2 TIP3 6231 -39.006 -1.170 -14.820 1.00 0.00 WAT +ATOM 25004 OH2 TIP3 6232 -38.280 6.874 -11.199 1.00 0.00 WAT +ATOM 25005 H1 TIP3 6232 -38.304 7.807 -11.479 1.00 0.00 WAT +ATOM 25006 H2 TIP3 6232 -39.153 6.801 -10.769 1.00 0.00 WAT +ATOM 25007 OH2 TIP3 6233 -41.821 6.539 -20.287 1.00 0.00 WAT +ATOM 25008 H1 TIP3 6233 -42.645 6.704 -20.785 1.00 0.00 WAT +ATOM 25009 H2 TIP3 6233 -41.922 7.118 -19.512 1.00 0.00 WAT +ATOM 25010 OH2 TIP3 6234 -28.573 7.993 -13.924 1.00 0.00 WAT +ATOM 25011 H1 TIP3 6234 -29.522 8.161 -13.776 1.00 0.00 WAT +ATOM 25012 H2 TIP3 6234 -28.246 8.898 -14.078 1.00 0.00 WAT +ATOM 25013 OH2 TIP3 6235 -27.896 -2.933 -12.154 1.00 0.00 WAT +ATOM 25014 H1 TIP3 6235 -28.773 -2.703 -12.504 1.00 0.00 WAT +ATOM 25015 H2 TIP3 6235 -27.315 -2.762 -12.900 1.00 0.00 WAT +ATOM 25016 OH2 TIP3 6236 -35.035 -5.387 -14.915 1.00 0.00 WAT +ATOM 25017 H1 TIP3 6236 -35.282 -6.327 -14.997 1.00 0.00 WAT +ATOM 25018 H2 TIP3 6236 -35.866 -4.996 -14.570 1.00 0.00 WAT +ATOM 25019 OH2 TIP3 6237 -30.224 9.976 -16.949 1.00 0.00 WAT +ATOM 25020 H1 TIP3 6237 -29.757 9.165 -17.239 1.00 0.00 WAT +ATOM 25021 H2 TIP3 6237 -29.541 10.654 -17.084 1.00 0.00 WAT +ATOM 25022 OH2 TIP3 6238 -28.760 7.869 -18.341 1.00 0.00 WAT +ATOM 25023 H1 TIP3 6238 -29.238 7.383 -19.030 1.00 0.00 WAT +ATOM 25024 H2 TIP3 6238 -28.798 7.213 -17.616 1.00 0.00 WAT +ATOM 25025 OH2 TIP3 6239 -27.735 6.780 -9.773 1.00 0.00 WAT +ATOM 25026 H1 TIP3 6239 -27.381 6.062 -10.317 1.00 0.00 WAT +ATOM 25027 H2 TIP3 6239 -27.164 7.521 -10.009 1.00 0.00 WAT +ATOM 25028 OH2 TIP3 6240 -32.953 3.591 -20.153 1.00 0.00 WAT +ATOM 25029 H1 TIP3 6240 -33.612 4.156 -20.594 1.00 0.00 WAT +ATOM 25030 H2 TIP3 6240 -32.226 3.581 -20.800 1.00 0.00 WAT +ATOM 25031 OH2 TIP3 6241 -32.604 1.728 -23.179 1.00 0.00 WAT +ATOM 25032 H1 TIP3 6241 -31.880 2.024 -22.597 1.00 0.00 WAT +ATOM 25033 H2 TIP3 6241 -32.172 1.052 -23.711 1.00 0.00 WAT +ATOM 25034 OH2 TIP3 6242 -25.922 2.872 -12.514 1.00 0.00 WAT +ATOM 25035 H1 TIP3 6242 -26.527 3.624 -12.371 1.00 0.00 WAT +ATOM 25036 H2 TIP3 6242 -25.141 3.317 -12.880 1.00 0.00 WAT +ATOM 25037 OH2 TIP3 6243 -29.465 3.558 -19.103 1.00 0.00 WAT +ATOM 25038 H1 TIP3 6243 -30.108 3.737 -18.382 1.00 0.00 WAT +ATOM 25039 H2 TIP3 6243 -28.778 3.053 -18.614 1.00 0.00 WAT +ATOM 25040 OH2 TIP3 6244 -29.538 2.043 -10.255 1.00 0.00 WAT +ATOM 25041 H1 TIP3 6244 -29.573 2.804 -9.659 1.00 0.00 WAT +ATOM 25042 H2 TIP3 6244 -30.145 2.359 -10.946 1.00 0.00 WAT +ATOM 25043 OH2 TIP3 6245 -37.814 4.350 -17.322 1.00 0.00 WAT +ATOM 25044 H1 TIP3 6245 -38.148 3.893 -18.119 1.00 0.00 WAT +ATOM 25045 H2 TIP3 6245 -37.186 3.696 -16.965 1.00 0.00 WAT +ATOM 25046 OH2 TIP3 6246 -36.451 7.759 -14.575 1.00 0.00 WAT +ATOM 25047 H1 TIP3 6246 -36.578 7.338 -15.435 1.00 0.00 WAT +ATOM 25048 H2 TIP3 6246 -35.668 7.280 -14.237 1.00 0.00 WAT +ATOM 25049 OH2 TIP3 6247 -37.292 3.194 -13.839 1.00 0.00 WAT +ATOM 25050 H1 TIP3 6247 -36.686 3.181 -14.605 1.00 0.00 WAT +ATOM 25051 H2 TIP3 6247 -36.857 3.818 -13.228 1.00 0.00 WAT +ATOM 25052 OH2 TIP3 6248 -31.375 8.705 -13.222 1.00 0.00 WAT +ATOM 25053 H1 TIP3 6248 -31.267 9.324 -12.478 1.00 0.00 WAT +ATOM 25054 H2 TIP3 6248 -31.547 7.855 -12.781 1.00 0.00 WAT +ATOM 25055 OH2 TIP3 6249 -36.403 7.491 -9.004 1.00 0.00 WAT +ATOM 25056 H1 TIP3 6249 -36.930 8.101 -8.459 1.00 0.00 WAT +ATOM 25057 H2 TIP3 6249 -37.063 7.197 -9.659 1.00 0.00 WAT +ATOM 25058 OH2 TIP3 6250 -30.500 3.032 -21.629 1.00 0.00 WAT +ATOM 25059 H1 TIP3 6250 -30.013 3.249 -20.803 1.00 0.00 WAT +ATOM 25060 H2 TIP3 6250 -29.975 3.535 -22.299 1.00 0.00 WAT +ATOM 25061 OH2 TIP3 6251 -39.564 3.844 -9.834 1.00 0.00 WAT +ATOM 25062 H1 TIP3 6251 -39.480 4.426 -9.056 1.00 0.00 WAT +ATOM 25063 H2 TIP3 6251 -40.533 3.773 -9.911 1.00 0.00 WAT +ATOM 25064 OH2 TIP3 6252 -33.022 9.627 -18.079 1.00 0.00 WAT +ATOM 25065 H1 TIP3 6252 -32.561 9.878 -17.270 1.00 0.00 WAT +ATOM 25066 H2 TIP3 6252 -33.536 10.418 -18.299 1.00 0.00 WAT +ATOM 25067 OH2 TIP3 6253 -38.358 9.689 -8.142 1.00 0.00 WAT +ATOM 25068 H1 TIP3 6253 -38.425 9.658 -9.112 1.00 0.00 WAT +ATOM 25069 H2 TIP3 6253 -39.256 9.448 -7.854 1.00 0.00 WAT +ATOM 25070 OH2 TIP3 6254 -27.007 -5.300 -22.104 1.00 0.00 WAT +ATOM 25071 H1 TIP3 6254 -27.901 -5.183 -21.735 1.00 0.00 WAT +ATOM 25072 H2 TIP3 6254 -26.729 -4.372 -22.231 1.00 0.00 WAT +ATOM 25073 OH2 TIP3 6255 -38.925 3.083 -19.771 1.00 0.00 WAT +ATOM 25074 H1 TIP3 6255 -39.173 3.834 -20.333 1.00 0.00 WAT +ATOM 25075 H2 TIP3 6255 -39.587 2.420 -20.016 1.00 0.00 WAT +ATOM 25076 OH2 TIP3 6256 -25.673 8.892 -23.596 1.00 0.00 WAT +ATOM 25077 H1 TIP3 6256 -25.511 9.819 -23.337 1.00 0.00 WAT +ATOM 25078 H2 TIP3 6256 -24.804 8.483 -23.415 1.00 0.00 WAT +ATOM 25079 OH2 TIP3 6257 -42.722 5.913 -11.251 1.00 0.00 WAT +ATOM 25080 H1 TIP3 6257 -42.868 5.547 -12.141 1.00 0.00 WAT +ATOM 25081 H2 TIP3 6257 -43.030 5.175 -10.698 1.00 0.00 WAT +ATOM 25082 OH2 TIP3 6258 -42.804 8.742 -14.291 1.00 0.00 WAT +ATOM 25083 H1 TIP3 6258 -41.992 8.255 -14.101 1.00 0.00 WAT +ATOM 25084 H2 TIP3 6258 -42.988 9.170 -13.447 1.00 0.00 WAT +ATOM 25085 OH2 TIP3 6259 -33.782 8.519 -9.557 1.00 0.00 WAT +ATOM 25086 H1 TIP3 6259 -33.705 9.329 -9.018 1.00 0.00 WAT +ATOM 25087 H2 TIP3 6259 -34.678 8.206 -9.314 1.00 0.00 WAT +ATOM 25088 OH2 TIP3 6260 -33.530 12.353 -19.561 1.00 0.00 WAT +ATOM 25089 H1 TIP3 6260 -33.486 12.421 -20.528 1.00 0.00 WAT +ATOM 25090 H2 TIP3 6260 -33.423 13.271 -19.267 1.00 0.00 WAT +ATOM 25091 OH2 TIP3 6261 -39.779 11.466 -17.924 1.00 0.00 WAT +ATOM 25092 H1 TIP3 6261 -39.530 11.049 -17.073 1.00 0.00 WAT +ATOM 25093 H2 TIP3 6261 -40.557 10.925 -18.142 1.00 0.00 WAT +ATOM 25094 OH2 TIP3 6262 -30.204 11.752 -22.411 1.00 0.00 WAT +ATOM 25095 H1 TIP3 6262 -29.614 11.104 -22.844 1.00 0.00 WAT +ATOM 25096 H2 TIP3 6262 -30.254 11.387 -21.504 1.00 0.00 WAT +ATOM 25097 OH2 TIP3 6263 -30.798 11.194 -19.582 1.00 0.00 WAT +ATOM 25098 H1 TIP3 6263 -31.756 11.279 -19.432 1.00 0.00 WAT +ATOM 25099 H2 TIP3 6263 -30.610 10.456 -18.975 1.00 0.00 WAT +ATOM 25100 OH2 TIP3 6264 -27.654 0.705 -7.719 1.00 0.00 WAT +ATOM 25101 H1 TIP3 6264 -27.906 1.050 -8.581 1.00 0.00 WAT +ATOM 25102 H2 TIP3 6264 -27.231 -0.134 -7.965 1.00 0.00 WAT +ATOM 25103 OH2 TIP3 6265 -40.711 7.298 -9.771 1.00 0.00 WAT +ATOM 25104 H1 TIP3 6265 -40.417 6.742 -9.022 1.00 0.00 WAT +ATOM 25105 H2 TIP3 6265 -41.463 6.792 -10.145 1.00 0.00 WAT +ATOM 25106 OH2 TIP3 6266 -37.473 -4.228 -14.030 1.00 0.00 WAT +ATOM 25107 H1 TIP3 6266 -38.293 -4.322 -14.548 1.00 0.00 WAT +ATOM 25108 H2 TIP3 6266 -37.722 -3.495 -13.446 1.00 0.00 WAT +ATOM 25109 OH2 TIP3 6267 -33.106 -4.644 -10.402 1.00 0.00 WAT +ATOM 25110 H1 TIP3 6267 -32.589 -5.158 -9.752 1.00 0.00 WAT +ATOM 25111 H2 TIP3 6267 -34.014 -4.976 -10.271 1.00 0.00 WAT +ATOM 25112 OH2 TIP3 6268 -29.779 -0.912 -9.859 1.00 0.00 WAT +ATOM 25113 H1 TIP3 6268 -30.348 -1.090 -9.092 1.00 0.00 WAT +ATOM 25114 H2 TIP3 6268 -29.879 0.046 -9.986 1.00 0.00 WAT +ATOM 25115 OH2 TIP3 6269 -28.907 4.193 -23.552 1.00 0.00 WAT +ATOM 25116 H1 TIP3 6269 -29.145 3.952 -24.477 1.00 0.00 WAT +ATOM 25117 H2 TIP3 6269 -27.946 4.288 -23.635 1.00 0.00 WAT +ATOM 25118 OH2 TIP3 6270 -33.416 -2.085 -23.116 1.00 0.00 WAT +ATOM 25119 H1 TIP3 6270 -33.806 -2.336 -22.264 1.00 0.00 WAT +ATOM 25120 H2 TIP3 6270 -33.720 -2.821 -23.675 1.00 0.00 WAT +ATOM 25121 OH2 TIP3 6271 -37.611 0.564 -12.640 1.00 0.00 WAT +ATOM 25122 H1 TIP3 6271 -38.182 0.667 -11.861 1.00 0.00 WAT +ATOM 25123 H2 TIP3 6271 -37.555 1.480 -12.984 1.00 0.00 WAT +ATOM 25124 OH2 TIP3 6272 -37.701 0.630 -17.751 1.00 0.00 WAT +ATOM 25125 H1 TIP3 6272 -38.656 0.543 -17.934 1.00 0.00 WAT +ATOM 25126 H2 TIP3 6272 -37.335 0.441 -18.638 1.00 0.00 WAT +ATOM 25127 OH2 TIP3 6273 -32.082 1.200 -18.954 1.00 0.00 WAT +ATOM 25128 H1 TIP3 6273 -32.477 2.024 -19.307 1.00 0.00 WAT +ATOM 25129 H2 TIP3 6273 -31.358 1.048 -19.586 1.00 0.00 WAT +ATOM 25130 OH2 TIP3 6274 -32.872 1.405 -7.601 1.00 0.00 WAT +ATOM 25131 H1 TIP3 6274 -33.382 0.642 -7.258 1.00 0.00 WAT +ATOM 25132 H2 TIP3 6274 -31.992 1.243 -7.213 1.00 0.00 WAT +ATOM 25133 OH2 TIP3 6275 -31.193 0.595 -16.174 1.00 0.00 WAT +ATOM 25134 H1 TIP3 6275 -31.481 1.188 -16.897 1.00 0.00 WAT +ATOM 25135 H2 TIP3 6275 -30.993 -0.207 -16.698 1.00 0.00 WAT +ATOM 25136 OH2 TIP3 6276 -40.275 0.744 -10.782 1.00 0.00 WAT +ATOM 25137 H1 TIP3 6276 -39.946 1.084 -9.941 1.00 0.00 WAT +ATOM 25138 H2 TIP3 6276 -40.524 -0.165 -10.543 1.00 0.00 WAT +ATOM 25139 OH2 TIP3 6277 -36.922 -1.548 -24.147 1.00 0.00 WAT +ATOM 25140 H1 TIP3 6277 -37.242 -2.022 -23.350 1.00 0.00 WAT +ATOM 25141 H2 TIP3 6277 -37.655 -1.658 -24.756 1.00 0.00 WAT +ATOM 25142 OH2 TIP3 6278 -43.135 -1.628 -17.165 1.00 0.00 WAT +ATOM 25143 H1 TIP3 6278 -43.066 -1.999 -16.269 1.00 0.00 WAT +ATOM 25144 H2 TIP3 6278 -42.877 -2.371 -17.727 1.00 0.00 WAT +ATOM 25145 OH2 TIP3 6279 -42.046 -1.220 -21.323 1.00 0.00 WAT +ATOM 25146 H1 TIP3 6279 -41.458 -1.019 -22.060 1.00 0.00 WAT +ATOM 25147 H2 TIP3 6279 -42.897 -0.862 -21.580 1.00 0.00 WAT +ATOM 25148 OH2 TIP3 6280 -32.087 2.277 -11.711 1.00 0.00 WAT +ATOM 25149 H1 TIP3 6280 -31.646 1.553 -12.212 1.00 0.00 WAT +ATOM 25150 H2 TIP3 6280 -32.420 1.797 -10.940 1.00 0.00 WAT +ATOM 25151 OH2 TIP3 6281 -34.896 -1.770 -16.710 1.00 0.00 WAT +ATOM 25152 H1 TIP3 6281 -35.842 -1.841 -16.496 1.00 0.00 WAT +ATOM 25153 H2 TIP3 6281 -34.488 -1.968 -15.850 1.00 0.00 WAT +ATOM 25154 OH2 TIP3 6282 -40.378 -0.494 -18.130 1.00 0.00 WAT +ATOM 25155 H1 TIP3 6282 -41.198 -0.479 -18.641 1.00 0.00 WAT +ATOM 25156 H2 TIP3 6282 -40.009 -1.355 -18.406 1.00 0.00 WAT +ATOM 25157 OH2 TIP3 6283 -36.712 -0.181 -20.333 1.00 0.00 WAT +ATOM 25158 H1 TIP3 6283 -35.739 -0.169 -20.277 1.00 0.00 WAT +ATOM 25159 H2 TIP3 6283 -36.908 0.417 -21.071 1.00 0.00 WAT +ATOM 25160 OH2 TIP3 6284 -30.436 -2.695 -13.653 1.00 0.00 WAT +ATOM 25161 H1 TIP3 6284 -31.064 -2.650 -12.898 1.00 0.00 WAT +ATOM 25162 H2 TIP3 6284 -31.035 -3.021 -14.345 1.00 0.00 WAT +ATOM 25163 OH2 TIP3 6285 -38.295 1.124 -22.624 1.00 0.00 WAT +ATOM 25164 H1 TIP3 6285 -38.799 0.664 -23.308 1.00 0.00 WAT +ATOM 25165 H2 TIP3 6285 -37.434 1.236 -23.059 1.00 0.00 WAT +ATOM 25166 OH2 TIP3 6286 -27.380 13.081 -7.158 1.00 0.00 WAT +ATOM 25167 H1 TIP3 6286 -27.091 13.428 -8.015 1.00 0.00 WAT +ATOM 25168 H2 TIP3 6286 -26.740 13.461 -6.553 1.00 0.00 WAT +ATOM 25169 OH2 TIP3 6287 -39.559 5.779 -7.639 1.00 0.00 WAT +ATOM 25170 H1 TIP3 6287 -38.896 5.792 -6.905 1.00 0.00 WAT +ATOM 25171 H2 TIP3 6287 -40.370 5.892 -7.097 1.00 0.00 WAT +ATOM 25172 OH2 TIP3 6288 -33.892 0.761 -14.892 1.00 0.00 WAT +ATOM 25173 H1 TIP3 6288 -33.160 0.330 -15.358 1.00 0.00 WAT +ATOM 25174 H2 TIP3 6288 -34.046 0.147 -14.146 1.00 0.00 WAT +ATOM 25175 OH2 TIP3 6289 -38.733 -2.897 -18.623 1.00 0.00 WAT +ATOM 25176 H1 TIP3 6289 -39.236 -3.721 -18.703 1.00 0.00 WAT +ATOM 25177 H2 TIP3 6289 -37.935 -3.123 -19.121 1.00 0.00 WAT +ATOM 25178 OH2 TIP3 6290 -34.899 -0.777 -12.649 1.00 0.00 WAT +ATOM 25179 H1 TIP3 6290 -35.679 -0.198 -12.636 1.00 0.00 WAT +ATOM 25180 H2 TIP3 6290 -34.424 -0.524 -11.831 1.00 0.00 WAT +ATOM 25181 OH2 TIP3 6291 -34.816 5.664 -20.766 1.00 0.00 WAT +ATOM 25182 H1 TIP3 6291 -35.557 5.113 -21.097 1.00 0.00 WAT +ATOM 25183 H2 TIP3 6291 -34.974 5.666 -19.793 1.00 0.00 WAT +ATOM 25184 OH2 TIP3 6292 -27.800 4.972 -12.055 1.00 0.00 WAT +ATOM 25185 H1 TIP3 6292 -27.219 5.512 -12.626 1.00 0.00 WAT +ATOM 25186 H2 TIP3 6292 -28.565 4.803 -12.641 1.00 0.00 WAT +ATOM 25187 OH2 TIP3 6293 -30.718 -1.469 -22.927 1.00 0.00 WAT +ATOM 25188 H1 TIP3 6293 -31.691 -1.429 -23.016 1.00 0.00 WAT +ATOM 25189 H2 TIP3 6293 -30.488 -0.698 -22.379 1.00 0.00 WAT +ATOM 25190 OH2 TIP3 6294 -33.133 5.643 -9.436 1.00 0.00 WAT +ATOM 25191 H1 TIP3 6294 -33.442 5.299 -8.585 1.00 0.00 WAT +ATOM 25192 H2 TIP3 6294 -33.463 6.554 -9.421 1.00 0.00 WAT +ATOM 25193 OH2 TIP3 6295 -29.900 0.295 -20.840 1.00 0.00 WAT +ATOM 25194 H1 TIP3 6295 -29.002 0.106 -20.506 1.00 0.00 WAT +ATOM 25195 H2 TIP3 6295 -29.767 1.123 -21.330 1.00 0.00 WAT +ATOM 25196 OH2 TIP3 6296 -39.770 4.923 -15.054 1.00 0.00 WAT +ATOM 25197 H1 TIP3 6296 -39.080 4.843 -15.735 1.00 0.00 WAT +ATOM 25198 H2 TIP3 6296 -39.616 4.124 -14.521 1.00 0.00 WAT +ATOM 25199 OH2 TIP3 6297 -32.385 6.995 -21.862 1.00 0.00 WAT +ATOM 25200 H1 TIP3 6297 -32.632 7.828 -21.414 1.00 0.00 WAT +ATOM 25201 H2 TIP3 6297 -33.101 6.407 -21.564 1.00 0.00 WAT +ATOM 25202 OH2 TIP3 6298 -42.400 3.460 -9.394 1.00 0.00 WAT +ATOM 25203 H1 TIP3 6298 -42.308 2.821 -8.666 1.00 0.00 WAT +ATOM 25204 H2 TIP3 6298 -42.883 2.929 -10.070 1.00 0.00 WAT +ATOM 25205 OH2 TIP3 6299 -35.404 2.786 -7.679 1.00 0.00 WAT +ATOM 25206 H1 TIP3 6299 -35.746 2.526 -8.551 1.00 0.00 WAT +ATOM 25207 H2 TIP3 6299 -34.474 2.507 -7.760 1.00 0.00 WAT +ATOM 25208 OH2 TIP3 6300 -30.785 8.427 -9.992 1.00 0.00 WAT +ATOM 25209 H1 TIP3 6300 -31.751 8.362 -10.062 1.00 0.00 WAT +ATOM 25210 H2 TIP3 6300 -30.661 8.462 -9.031 1.00 0.00 WAT +ATOM 25211 OH2 TIP3 6301 -27.081 8.906 -21.033 1.00 0.00 WAT +ATOM 25212 H1 TIP3 6301 -27.473 8.145 -20.573 1.00 0.00 WAT +ATOM 25213 H2 TIP3 6301 -26.633 8.491 -21.783 1.00 0.00 WAT +ATOM 25214 OH2 TIP3 6302 -29.882 4.143 -13.848 1.00 0.00 WAT +ATOM 25215 H1 TIP3 6302 -30.820 3.956 -14.031 1.00 0.00 WAT +ATOM 25216 H2 TIP3 6302 -29.447 3.369 -14.261 1.00 0.00 WAT +ATOM 25217 OH2 TIP3 6303 -37.270 8.288 -17.681 1.00 0.00 WAT +ATOM 25218 H1 TIP3 6303 -36.851 9.156 -17.784 1.00 0.00 WAT +ATOM 25219 H2 TIP3 6303 -38.193 8.483 -17.887 1.00 0.00 WAT +ATOM 25220 OH2 TIP3 6304 -41.509 3.301 -23.021 1.00 0.00 WAT +ATOM 25221 H1 TIP3 6304 -40.787 3.815 -22.608 1.00 0.00 WAT +ATOM 25222 H2 TIP3 6304 -42.275 3.822 -22.754 1.00 0.00 WAT +ATOM 25223 OH2 TIP3 6305 -35.420 6.000 -18.047 1.00 0.00 WAT +ATOM 25224 H1 TIP3 6305 -35.765 6.896 -17.897 1.00 0.00 WAT +ATOM 25225 H2 TIP3 6305 -36.108 5.462 -17.626 1.00 0.00 WAT +ATOM 25226 OH2 TIP3 6306 -35.265 10.255 -11.694 1.00 0.00 WAT +ATOM 25227 H1 TIP3 6306 -34.678 10.977 -11.973 1.00 0.00 WAT +ATOM 25228 H2 TIP3 6306 -34.667 9.727 -11.139 1.00 0.00 WAT +ATOM 25229 OH2 TIP3 6307 -36.814 11.202 -18.481 1.00 0.00 WAT +ATOM 25230 H1 TIP3 6307 -37.769 11.319 -18.365 1.00 0.00 WAT +ATOM 25231 H2 TIP3 6307 -36.472 12.075 -18.216 1.00 0.00 WAT +ATOM 25232 OH2 TIP3 6308 -31.789 5.994 -12.109 1.00 0.00 WAT +ATOM 25233 H1 TIP3 6308 -32.128 5.681 -11.252 1.00 0.00 WAT +ATOM 25234 H2 TIP3 6308 -31.071 5.364 -12.278 1.00 0.00 WAT +ATOM 25235 OH2 TIP3 6309 -29.678 7.365 -23.156 1.00 0.00 WAT +ATOM 25236 H1 TIP3 6309 -29.238 6.823 -22.476 1.00 0.00 WAT +ATOM 25237 H2 TIP3 6309 -30.604 7.159 -22.935 1.00 0.00 WAT +ATOM 25238 OH2 TIP3 6310 -29.001 10.728 -9.311 1.00 0.00 WAT +ATOM 25239 H1 TIP3 6310 -29.562 10.096 -9.792 1.00 0.00 WAT +ATOM 25240 H2 TIP3 6310 -28.597 11.263 -10.008 1.00 0.00 WAT +ATOM 25241 OH2 TIP3 6311 -24.928 11.558 -22.668 1.00 0.00 WAT +ATOM 25242 H1 TIP3 6311 -24.251 12.219 -22.891 1.00 0.00 WAT +ATOM 25243 H2 TIP3 6311 -25.714 12.134 -22.661 1.00 0.00 WAT +ATOM 25244 OH2 TIP3 6312 -41.008 -1.979 -10.016 1.00 0.00 WAT +ATOM 25245 H1 TIP3 6312 -41.874 -1.608 -10.269 1.00 0.00 WAT +ATOM 25246 H2 TIP3 6312 -41.229 -2.839 -9.616 1.00 0.00 WAT +ATOM 25247 OH2 TIP3 6313 -28.516 5.963 -20.764 1.00 0.00 WAT +ATOM 25248 H1 TIP3 6313 -28.954 5.220 -20.315 1.00 0.00 WAT +ATOM 25249 H2 TIP3 6313 -27.583 5.773 -20.552 1.00 0.00 WAT +ATOM 25250 OH2 TIP3 6314 -41.275 9.719 -11.595 1.00 0.00 WAT +ATOM 25251 H1 TIP3 6314 -41.093 8.774 -11.501 1.00 0.00 WAT +ATOM 25252 H2 TIP3 6314 -40.957 10.038 -10.743 1.00 0.00 WAT +ATOM 25253 OH2 TIP3 6315 -35.463 8.336 -24.646 1.00 0.00 WAT +ATOM 25254 H1 TIP3 6315 -35.157 7.538 -25.117 1.00 0.00 WAT +ATOM 25255 H2 TIP3 6315 -35.876 7.939 -23.860 1.00 0.00 WAT +ATOM 25256 OH2 TIP3 6316 -36.641 7.860 -21.913 1.00 0.00 WAT +ATOM 25257 H1 TIP3 6316 -36.121 7.301 -21.314 1.00 0.00 WAT +ATOM 25258 H2 TIP3 6316 -36.468 8.758 -21.564 1.00 0.00 WAT +ATOM 25259 OH2 TIP3 6317 -39.878 5.276 -21.594 1.00 0.00 WAT +ATOM 25260 H1 TIP3 6317 -40.572 5.681 -21.020 1.00 0.00 WAT +ATOM 25261 H2 TIP3 6317 -39.344 6.062 -21.774 1.00 0.00 WAT +ATOM 25262 OH2 TIP3 6318 -32.030 -2.186 -11.456 1.00 0.00 WAT +ATOM 25263 H1 TIP3 6318 -31.417 -1.982 -10.734 1.00 0.00 WAT +ATOM 25264 H2 TIP3 6318 -32.568 -2.909 -11.079 1.00 0.00 WAT +ATOM 25265 OH2 TIP3 6319 -31.452 -2.748 -20.316 1.00 0.00 WAT +ATOM 25266 H1 TIP3 6319 -31.230 -2.231 -21.112 1.00 0.00 WAT +ATOM 25267 H2 TIP3 6319 -30.985 -2.258 -19.621 1.00 0.00 WAT +ATOM 25268 OH2 TIP3 6320 -33.639 9.526 -21.279 1.00 0.00 WAT +ATOM 25269 H1 TIP3 6320 -34.479 9.986 -21.121 1.00 0.00 WAT +ATOM 25270 H2 TIP3 6320 -33.313 9.958 -22.078 1.00 0.00 WAT +ATOM 25271 OH2 TIP3 6321 -34.069 -0.786 -19.291 1.00 0.00 WAT +ATOM 25272 H1 TIP3 6321 -33.297 -0.196 -19.163 1.00 0.00 WAT +ATOM 25273 H2 TIP3 6321 -34.339 -0.957 -18.369 1.00 0.00 WAT +ATOM 25274 OH2 TIP3 6322 -33.693 0.106 -10.140 1.00 0.00 WAT +ATOM 25275 H1 TIP3 6322 -33.633 0.623 -9.320 1.00 0.00 WAT +ATOM 25276 H2 TIP3 6322 -33.134 -0.656 -9.930 1.00 0.00 WAT +ATOM 25277 OH2 TIP3 6323 -33.425 -3.771 -18.342 1.00 0.00 WAT +ATOM 25278 H1 TIP3 6323 -33.647 -3.067 -17.704 1.00 0.00 WAT +ATOM 25279 H2 TIP3 6323 -32.721 -3.343 -18.868 1.00 0.00 WAT +ATOM 25280 OH2 TIP3 6324 -36.441 10.571 -21.295 1.00 0.00 WAT +ATOM 25281 H1 TIP3 6324 -36.523 11.397 -21.813 1.00 0.00 WAT +ATOM 25282 H2 TIP3 6324 -36.582 10.887 -20.382 1.00 0.00 WAT +ATOM 25283 OH2 TIP3 6325 -37.712 -2.749 -21.772 1.00 0.00 WAT +ATOM 25284 H1 TIP3 6325 -37.635 -1.978 -21.191 1.00 0.00 WAT +ATOM 25285 H2 TIP3 6325 -36.928 -3.275 -21.522 1.00 0.00 WAT +ATOM 25286 OH2 TIP3 6326 -27.053 -2.246 -9.169 1.00 0.00 WAT +ATOM 25287 H1 TIP3 6326 -27.987 -2.021 -9.248 1.00 0.00 WAT +ATOM 25288 H2 TIP3 6326 -26.761 -2.141 -10.083 1.00 0.00 WAT +ATOM 25289 OH2 TIP3 6327 -28.766 1.833 -15.191 1.00 0.00 WAT +ATOM 25290 H1 TIP3 6327 -29.570 1.395 -15.523 1.00 0.00 WAT +ATOM 25291 H2 TIP3 6327 -28.275 1.094 -14.787 1.00 0.00 WAT +ATOM 25292 OH2 TIP3 6328 -39.287 8.211 -22.807 1.00 0.00 WAT +ATOM 25293 H1 TIP3 6328 -38.509 8.556 -22.340 1.00 0.00 WAT +ATOM 25294 H2 TIP3 6328 -38.856 7.570 -23.389 1.00 0.00 WAT +ATOM 25295 OH2 TIP3 6329 -41.101 0.375 -23.921 1.00 0.00 WAT +ATOM 25296 H1 TIP3 6329 -41.034 1.162 -23.358 1.00 0.00 WAT +ATOM 25297 H2 TIP3 6329 -41.997 0.062 -23.806 1.00 0.00 WAT +ATOM 25298 OH2 TIP3 6330 -27.821 10.851 -14.013 1.00 0.00 WAT +ATOM 25299 H1 TIP3 6330 -27.903 11.768 -14.341 1.00 0.00 WAT +ATOM 25300 H2 TIP3 6330 -27.014 10.871 -13.495 1.00 0.00 WAT +ATOM 25301 OH2 TIP3 6331 -40.260 -4.757 -14.835 1.00 0.00 WAT +ATOM 25302 H1 TIP3 6331 -40.561 -4.781 -15.764 1.00 0.00 WAT +ATOM 25303 H2 TIP3 6331 -40.690 -5.559 -14.473 1.00 0.00 WAT +ATOM 25304 OH2 TIP3 6332 -41.348 8.936 -18.578 1.00 0.00 WAT +ATOM 25305 H1 TIP3 6332 -42.272 9.228 -18.524 1.00 0.00 WAT +ATOM 25306 H2 TIP3 6332 -41.061 9.310 -19.420 1.00 0.00 WAT +ATOM 25307 OH2 TIP3 6333 -42.145 11.681 -7.393 1.00 0.00 WAT +ATOM 25308 H1 TIP3 6333 -41.521 11.693 -6.645 1.00 0.00 WAT +ATOM 25309 H2 TIP3 6333 -42.140 10.714 -7.529 1.00 0.00 WAT +ATOM 25310 OH2 TIP3 6334 -37.152 10.887 -5.676 1.00 0.00 WAT +ATOM 25311 H1 TIP3 6334 -36.612 10.142 -5.368 1.00 0.00 WAT +ATOM 25312 H2 TIP3 6334 -37.466 10.542 -6.528 1.00 0.00 WAT +ATOM 25313 OH2 TIP3 6335 -33.240 10.053 -24.145 1.00 0.00 WAT +ATOM 25314 H1 TIP3 6335 -33.988 9.422 -24.223 1.00 0.00 WAT +ATOM 25315 H2 TIP3 6335 -32.516 9.492 -24.471 1.00 0.00 WAT +ATOM 25316 OH2 TIP3 6336 -30.937 9.132 -6.998 1.00 0.00 WAT +ATOM 25317 H1 TIP3 6336 -31.232 8.261 -6.668 1.00 0.00 WAT +ATOM 25318 H2 TIP3 6336 -30.081 9.249 -6.560 1.00 0.00 WAT +ATOM 25319 OH2 TIP3 6337 -28.579 9.970 -24.023 1.00 0.00 WAT +ATOM 25320 H1 TIP3 6337 -28.509 9.133 -23.530 1.00 0.00 WAT +ATOM 25321 H2 TIP3 6337 -27.774 9.948 -24.572 1.00 0.00 WAT +ATOM 25322 OH2 TIP3 6338 -42.010 5.768 -6.744 1.00 0.00 WAT +ATOM 25323 H1 TIP3 6338 -41.852 4.838 -6.956 1.00 0.00 WAT +ATOM 25324 H2 TIP3 6338 -42.900 5.919 -7.083 1.00 0.00 WAT +ATOM 25325 OH2 TIP3 6339 -37.808 5.760 -24.303 1.00 0.00 WAT +ATOM 25326 H1 TIP3 6339 -37.641 5.173 -23.546 1.00 0.00 WAT +ATOM 25327 H2 TIP3 6339 -36.942 5.719 -24.756 1.00 0.00 WAT +ATOM 25328 OH2 TIP3 6340 -35.280 5.563 -7.000 1.00 0.00 WAT +ATOM 25329 H1 TIP3 6340 -35.701 5.875 -7.816 1.00 0.00 WAT +ATOM 25330 H2 TIP3 6340 -35.301 4.589 -7.106 1.00 0.00 WAT +ATOM 25331 OH2 TIP3 6341 -32.580 7.120 -24.677 1.00 0.00 WAT +ATOM 25332 H1 TIP3 6341 -32.597 7.056 -23.704 1.00 0.00 WAT +ATOM 25333 H2 TIP3 6341 -32.585 6.163 -24.901 1.00 0.00 WAT +ATOM 25334 OH2 TIP3 6342 -30.022 5.192 -9.534 1.00 0.00 WAT +ATOM 25335 H1 TIP3 6342 -29.282 5.781 -9.791 1.00 0.00 WAT +ATOM 25336 H2 TIP3 6342 -30.761 5.818 -9.533 1.00 0.00 WAT +ATOM 25337 OH2 TIP3 6343 -41.363 2.429 -6.953 1.00 0.00 WAT +ATOM 25338 H1 TIP3 6343 -40.559 1.891 -7.091 1.00 0.00 WAT +ATOM 25339 H2 TIP3 6343 -41.204 2.757 -6.053 1.00 0.00 WAT +ATOM 25340 OH2 TIP3 6344 -36.745 3.895 -21.972 1.00 0.00 WAT +ATOM 25341 H1 TIP3 6344 -37.325 3.360 -21.408 1.00 0.00 WAT +ATOM 25342 H2 TIP3 6344 -36.406 3.213 -22.591 1.00 0.00 WAT +ATOM 25343 OH2 TIP3 6345 -37.513 1.622 -9.723 1.00 0.00 WAT +ATOM 25344 H1 TIP3 6345 -38.033 2.415 -9.500 1.00 0.00 WAT +ATOM 25345 H2 TIP3 6345 -36.841 1.987 -10.327 1.00 0.00 WAT +ATOM 25346 OH2 TIP3 6346 -35.702 1.916 -23.668 1.00 0.00 WAT +ATOM 25347 H1 TIP3 6346 -35.747 1.915 -24.639 1.00 0.00 WAT +ATOM 25348 H2 TIP3 6346 -34.740 1.824 -23.526 1.00 0.00 WAT +ATOM 25349 OH2 TIP3 6347 -32.144 4.344 -6.148 1.00 0.00 WAT +ATOM 25350 H1 TIP3 6347 -31.245 4.153 -6.444 1.00 0.00 WAT +ATOM 25351 H2 TIP3 6347 -32.422 3.491 -5.786 1.00 0.00 WAT +ATOM 25352 OH2 TIP3 6348 -26.175 4.416 -24.376 1.00 0.00 WAT +ATOM 25353 H1 TIP3 6348 -26.360 3.851 -25.141 1.00 0.00 WAT +ATOM 25354 H2 TIP3 6348 -26.383 5.311 -24.717 1.00 0.00 WAT +ATOM 25355 OH2 TIP3 6349 -36.919 -1.086 -8.560 1.00 0.00 WAT +ATOM 25356 H1 TIP3 6349 -36.832 -1.738 -9.280 1.00 0.00 WAT +ATOM 25357 H2 TIP3 6349 -37.114 -0.273 -9.057 1.00 0.00 WAT +ATOM 25358 OH2 TIP3 6350 -36.566 -2.607 -11.102 1.00 0.00 WAT +ATOM 25359 H1 TIP3 6350 -36.050 -2.092 -11.750 1.00 0.00 WAT +ATOM 25360 H2 TIP3 6350 -37.475 -2.583 -11.470 1.00 0.00 WAT +ATOM 25361 OH2 TIP3 6351 -35.010 2.835 -10.716 1.00 0.00 WAT +ATOM 25362 H1 TIP3 6351 -34.170 2.753 -11.191 1.00 0.00 WAT +ATOM 25363 H2 TIP3 6351 -35.317 3.712 -11.019 1.00 0.00 WAT +ATOM 25364 OH2 TIP3 6352 -30.386 0.789 -5.962 1.00 0.00 WAT +ATOM 25365 H1 TIP3 6352 -30.204 -0.151 -5.807 1.00 0.00 WAT +ATOM 25366 H2 TIP3 6352 -29.485 1.125 -6.103 1.00 0.00 WAT +ATOM 25367 OH2 TIP3 6353 -29.154 3.623 -7.494 1.00 0.00 WAT +ATOM 25368 H1 TIP3 6353 -29.540 4.221 -8.173 1.00 0.00 WAT +ATOM 25369 H2 TIP3 6353 -28.299 3.407 -7.882 1.00 0.00 WAT +ATOM 25370 OH2 TIP3 6354 -38.815 0.827 -6.826 1.00 0.00 WAT +ATOM 25371 H1 TIP3 6354 -39.307 -0.012 -6.788 1.00 0.00 WAT +ATOM 25372 H2 TIP3 6354 -37.969 0.545 -7.205 1.00 0.00 WAT +ATOM 25373 OH2 TIP3 6355 -35.858 -5.285 -10.758 1.00 0.00 WAT +ATOM 25374 H1 TIP3 6355 -36.023 -4.333 -10.926 1.00 0.00 WAT +ATOM 25375 H2 TIP3 6355 -36.560 -5.695 -11.300 1.00 0.00 WAT +ATOM 25376 OH2 TIP3 6356 -34.575 -0.719 -6.973 1.00 0.00 WAT +ATOM 25377 H1 TIP3 6356 -34.920 -0.924 -6.085 1.00 0.00 WAT +ATOM 25378 H2 TIP3 6356 -35.375 -0.914 -7.505 1.00 0.00 WAT +ATOM 25379 OH2 TIP3 6357 -32.029 -1.684 -8.122 1.00 0.00 WAT +ATOM 25380 H1 TIP3 6357 -32.903 -1.628 -7.696 1.00 0.00 WAT +ATOM 25381 H2 TIP3 6357 -31.547 -2.277 -7.514 1.00 0.00 WAT +ATOM 25382 OH2 TIP3 6358 -30.156 -3.126 -6.380 1.00 0.00 WAT +ATOM 25383 H1 TIP3 6358 -30.281 -4.082 -6.221 1.00 0.00 WAT +ATOM 25384 H2 TIP3 6358 -30.309 -2.733 -5.500 1.00 0.00 WAT +ATOM 25385 OH2 TIP3 6359 -40.155 -1.737 -6.943 1.00 0.00 WAT +ATOM 25386 H1 TIP3 6359 -40.151 -2.466 -7.584 1.00 0.00 WAT +ATOM 25387 H2 TIP3 6359 -40.319 -2.202 -6.102 1.00 0.00 WAT +ATOM 25388 OH2 TIP3 6360 -36.035 -5.794 -7.946 1.00 0.00 WAT +ATOM 25389 H1 TIP3 6360 -35.414 -6.538 -7.897 1.00 0.00 WAT +ATOM 25390 H2 TIP3 6360 -36.055 -5.633 -8.910 1.00 0.00 WAT +ATOM 25391 OH2 TIP3 6361 -35.079 -3.953 -6.061 1.00 0.00 WAT +ATOM 25392 H1 TIP3 6361 -35.389 -4.522 -6.794 1.00 0.00 WAT +ATOM 25393 H2 TIP3 6361 -35.744 -3.247 -6.043 1.00 0.00 WAT +ATOM 25394 OH2 TIP3 6362 -36.003 13.147 -22.594 1.00 0.00 WAT +ATOM 25395 H1 TIP3 6362 -35.045 13.219 -22.479 1.00 0.00 WAT +ATOM 25396 H2 TIP3 6362 -36.113 13.547 -23.465 1.00 0.00 WAT +ATOM 25397 OH2 TIP3 6363 -41.971 8.041 -23.575 1.00 0.00 WAT +ATOM 25398 H1 TIP3 6363 -41.246 7.981 -22.924 1.00 0.00 WAT +ATOM 25399 H2 TIP3 6363 -42.204 7.111 -23.714 1.00 0.00 WAT +ATOM 25400 OH2 TIP3 6364 -42.735 10.801 -16.388 1.00 0.00 WAT +ATOM 25401 H1 TIP3 6364 -42.753 9.908 -15.996 1.00 0.00 WAT +ATOM 25402 H2 TIP3 6364 -42.431 11.305 -15.619 1.00 0.00 WAT +ATOM 25403 OH2 TIP3 6365 -24.496 11.973 -13.710 1.00 0.00 WAT +ATOM 25404 H1 TIP3 6365 -24.955 11.941 -12.866 1.00 0.00 WAT +ATOM 25405 H2 TIP3 6365 -24.063 12.834 -13.644 1.00 0.00 WAT +ATOM 25406 OH2 TIP3 6366 -27.315 7.238 -6.029 1.00 0.00 WAT +ATOM 25407 H1 TIP3 6366 -28.048 7.025 -5.430 1.00 0.00 WAT +ATOM 25408 H2 TIP3 6366 -26.580 7.511 -5.468 1.00 0.00 WAT +ATOM 25409 OH2 TIP3 6367 -25.811 5.390 -20.040 1.00 0.00 WAT +ATOM 25410 H1 TIP3 6367 -24.909 5.727 -19.889 1.00 0.00 WAT +ATOM 25411 H2 TIP3 6367 -25.874 4.642 -19.431 1.00 0.00 WAT +ATOM 25412 OH2 TIP3 6368 -25.621 6.151 -13.409 1.00 0.00 WAT +ATOM 25413 H1 TIP3 6368 -24.859 5.661 -13.766 1.00 0.00 WAT +ATOM 25414 H2 TIP3 6368 -25.514 7.030 -13.785 1.00 0.00 WAT +ATOM 25415 OH2 TIP3 6369 -27.496 9.087 -11.475 1.00 0.00 WAT +ATOM 25416 H1 TIP3 6369 -28.124 9.125 -10.745 1.00 0.00 WAT +ATOM 25417 H2 TIP3 6369 -27.941 8.481 -12.093 1.00 0.00 WAT +ATOM 25418 OH2 TIP3 6370 -25.354 3.073 -21.789 1.00 0.00 WAT +ATOM 25419 H1 TIP3 6370 -25.713 3.333 -22.650 1.00 0.00 WAT +ATOM 25420 H2 TIP3 6370 -25.265 3.912 -21.329 1.00 0.00 WAT +ATOM 25421 OH2 TIP3 6371 -26.095 0.388 -23.345 1.00 0.00 WAT +ATOM 25422 H1 TIP3 6371 -26.473 1.139 -23.817 1.00 0.00 WAT +ATOM 25423 H2 TIP3 6371 -26.701 -0.306 -23.634 1.00 0.00 WAT +ATOM 25424 OH2 TIP3 6372 -27.413 2.183 -17.824 1.00 0.00 WAT +ATOM 25425 H1 TIP3 6372 -27.142 1.262 -17.951 1.00 0.00 WAT +ATOM 25426 H2 TIP3 6372 -27.543 2.230 -16.863 1.00 0.00 WAT +ATOM 25427 OH2 TIP3 6373 -42.544 4.383 -13.652 1.00 0.00 WAT +ATOM 25428 H1 TIP3 6373 -42.236 4.564 -14.551 1.00 0.00 WAT +ATOM 25429 H2 TIP3 6373 -41.750 3.949 -13.267 1.00 0.00 WAT +ATOM 25430 OH2 TIP3 6374 -27.475 -0.533 -19.434 1.00 0.00 WAT +ATOM 25431 H1 TIP3 6374 -27.247 -1.487 -19.521 1.00 0.00 WAT +ATOM 25432 H2 TIP3 6374 -26.748 -0.131 -19.924 1.00 0.00 WAT +ATOM 25433 OH2 TIP3 6375 -26.968 -0.184 -14.017 1.00 0.00 WAT +ATOM 25434 H1 TIP3 6375 -26.099 0.236 -14.105 1.00 0.00 WAT +ATOM 25435 H2 TIP3 6375 -27.105 -0.109 -13.060 1.00 0.00 WAT +ATOM 25436 OH2 TIP3 6376 -26.848 0.603 -10.982 1.00 0.00 WAT +ATOM 25437 H1 TIP3 6376 -27.798 0.755 -10.863 1.00 0.00 WAT +ATOM 25438 H2 TIP3 6376 -26.560 1.411 -11.450 1.00 0.00 WAT +ATOM 25439 OH2 TIP3 6377 -42.851 -0.694 -7.595 1.00 0.00 WAT +ATOM 25440 H1 TIP3 6377 -41.954 -1.066 -7.592 1.00 0.00 WAT +ATOM 25441 H2 TIP3 6377 -43.419 -1.456 -7.415 1.00 0.00 WAT +ATOM 25442 OH2 TIP3 6378 -27.008 -3.225 -19.729 1.00 0.00 WAT +ATOM 25443 H1 TIP3 6378 -26.793 -3.655 -18.891 1.00 0.00 WAT +ATOM 25444 H2 TIP3 6378 -27.764 -3.758 -20.033 1.00 0.00 WAT +ATOM 25445 OH2 TIP3 6379 -41.958 -2.151 -14.367 1.00 0.00 WAT +ATOM 25446 H1 TIP3 6379 -41.621 -3.051 -14.480 1.00 0.00 WAT +ATOM 25447 H2 TIP3 6379 -41.143 -1.627 -14.274 1.00 0.00 WAT +ATOM 25448 OH2 TIP3 6380 -43.306 0.477 -13.572 1.00 0.00 WAT +ATOM 25449 H1 TIP3 6380 -42.959 -0.094 -14.274 1.00 0.00 WAT +ATOM 25450 H2 TIP3 6380 -43.068 1.352 -13.893 1.00 0.00 WAT +ATOM 25451 OH2 TIP3 6381 -25.344 -2.880 -22.932 1.00 0.00 WAT +ATOM 25452 H1 TIP3 6381 -24.958 -3.659 -23.352 1.00 0.00 WAT +ATOM 25453 H2 TIP3 6381 -24.565 -2.389 -22.631 1.00 0.00 WAT +ATOM 25454 OH2 TIP3 6382 -43.226 -3.256 -19.845 1.00 0.00 WAT +ATOM 25455 H1 TIP3 6382 -43.956 -3.090 -20.453 1.00 0.00 WAT +ATOM 25456 H2 TIP3 6382 -42.470 -3.046 -20.422 1.00 0.00 WAT +ATOM 25457 OH2 TIP3 6383 -28.286 12.128 -17.569 1.00 0.00 WAT +ATOM 25458 H1 TIP3 6383 -27.811 11.781 -18.342 1.00 0.00 WAT +ATOM 25459 H2 TIP3 6383 -27.564 12.367 -16.978 1.00 0.00 WAT +ATOM 25460 OH2 TIP3 6384 -42.910 -4.428 -11.701 1.00 0.00 WAT +ATOM 25461 H1 TIP3 6384 -43.603 -4.522 -11.005 1.00 0.00 WAT +ATOM 25462 H2 TIP3 6384 -43.355 -3.973 -12.430 1.00 0.00 WAT +ATOM 25463 OH2 TIP3 6385 -41.211 9.128 -7.065 1.00 0.00 WAT +ATOM 25464 H1 TIP3 6385 -41.649 8.433 -7.567 1.00 0.00 WAT +ATOM 25465 H2 TIP3 6385 -41.284 8.764 -6.149 1.00 0.00 WAT +ATOM 25466 OH2 TIP3 6386 -38.021 9.732 -11.133 1.00 0.00 WAT +ATOM 25467 H1 TIP3 6386 -38.328 10.576 -11.505 1.00 0.00 WAT +ATOM 25468 H2 TIP3 6386 -37.060 9.818 -11.302 1.00 0.00 WAT +ATOM 25469 OH2 TIP3 6387 -33.541 11.099 -8.124 1.00 0.00 WAT +ATOM 25470 H1 TIP3 6387 -33.376 10.832 -7.207 1.00 0.00 WAT +ATOM 25471 H2 TIP3 6387 -32.672 11.467 -8.382 1.00 0.00 WAT +ATOM 25472 OH2 TIP3 6388 -31.184 12.483 -8.838 1.00 0.00 WAT +ATOM 25473 H1 TIP3 6388 -30.475 11.844 -9.059 1.00 0.00 WAT +ATOM 25474 H2 TIP3 6388 -30.852 12.821 -7.989 1.00 0.00 WAT +ATOM 25475 OH2 TIP3 6389 -40.678 12.830 -10.895 1.00 0.00 WAT +ATOM 25476 H1 TIP3 6389 -41.401 13.281 -11.373 1.00 0.00 WAT +ATOM 25477 H2 TIP3 6389 -41.018 12.831 -9.994 1.00 0.00 WAT +ATOM 25478 OH2 TIP3 6390 -38.172 12.480 -12.232 1.00 0.00 WAT +ATOM 25479 H1 TIP3 6390 -39.047 12.638 -11.821 1.00 0.00 WAT +ATOM 25480 H2 TIP3 6390 -38.165 13.139 -12.946 1.00 0.00 WAT +ATOM 25481 OH2 TIP3 6391 -33.388 12.446 -12.690 1.00 0.00 WAT +ATOM 25482 H1 TIP3 6391 -33.785 12.890 -13.459 1.00 0.00 WAT +ATOM 25483 H2 TIP3 6391 -33.324 13.178 -12.051 1.00 0.00 WAT +ATOM 25484 OH2 TIP3 6392 -31.002 11.184 -11.794 1.00 0.00 WAT +ATOM 25485 H1 TIP3 6392 -31.873 11.498 -12.094 1.00 0.00 WAT +ATOM 25486 H2 TIP3 6392 -30.517 12.007 -11.680 1.00 0.00 WAT +ATOM 25487 OH2 TIP3 6393 -28.349 12.921 -11.461 1.00 0.00 WAT +ATOM 25488 H1 TIP3 6393 -28.518 13.844 -11.726 1.00 0.00 WAT +ATOM 25489 H2 TIP3 6393 -28.331 12.467 -12.314 1.00 0.00 WAT +ATOM 25490 OH2 TIP3 6394 -41.235 11.560 -13.898 1.00 0.00 WAT +ATOM 25491 H1 TIP3 6394 -41.341 11.087 -13.047 1.00 0.00 WAT +ATOM 25492 H2 TIP3 6394 -40.499 11.060 -14.293 1.00 0.00 WAT +ATOM 25493 OH2 TIP3 6395 -39.093 10.275 -15.411 1.00 0.00 WAT +ATOM 25494 H1 TIP3 6395 -39.270 9.350 -15.136 1.00 0.00 WAT +ATOM 25495 H2 TIP3 6395 -38.193 10.414 -15.063 1.00 0.00 WAT +ATOM 25496 OH2 TIP3 6396 -36.288 10.703 -14.541 1.00 0.00 WAT +ATOM 25497 H1 TIP3 6396 -36.125 9.768 -14.764 1.00 0.00 WAT +ATOM 25498 H2 TIP3 6396 -36.230 10.660 -13.573 1.00 0.00 WAT +ATOM 25499 OH2 TIP3 6397 -32.960 -3.406 -15.208 1.00 0.00 WAT +ATOM 25500 H1 TIP3 6397 -33.649 -4.084 -15.073 1.00 0.00 WAT +ATOM 25501 H2 TIP3 6397 -32.364 -3.851 -15.829 1.00 0.00 WAT +ATOM 25502 OH2 TIP3 6398 -27.998 -5.415 -14.700 1.00 0.00 WAT +ATOM 25503 H1 TIP3 6398 -27.336 -4.951 -15.235 1.00 0.00 WAT +ATOM 25504 H2 TIP3 6398 -28.821 -5.172 -15.161 1.00 0.00 WAT +ATOM 25505 OH2 TIP3 6399 -26.302 -4.397 -16.995 1.00 0.00 WAT +ATOM 25506 H1 TIP3 6399 -25.517 -4.865 -17.333 1.00 0.00 WAT +ATOM 25507 H2 TIP3 6399 -25.942 -3.561 -16.670 1.00 0.00 WAT +ATOM 25508 OH2 TIP3 6400 -41.112 -4.847 -17.622 1.00 0.00 WAT +ATOM 25509 H1 TIP3 6400 -41.678 -4.983 -18.402 1.00 0.00 WAT +ATOM 25510 H2 TIP3 6400 -40.429 -5.513 -17.798 1.00 0.00 WAT +ATOM 25511 OH2 TIP3 6401 -36.132 -4.829 -17.803 1.00 0.00 WAT +ATOM 25512 H1 TIP3 6401 -35.201 -4.579 -17.915 1.00 0.00 WAT +ATOM 25513 H2 TIP3 6401 -36.181 -4.976 -16.853 1.00 0.00 WAT +ATOM 25514 OH2 TIP3 6402 -30.522 -4.837 -16.368 1.00 0.00 WAT +ATOM 25515 H1 TIP3 6402 -30.299 -4.946 -17.302 1.00 0.00 WAT +ATOM 25516 H2 TIP3 6402 -30.945 -5.692 -16.163 1.00 0.00 WAT +ATOM 25517 OH2 TIP3 6403 -29.413 -4.811 -20.388 1.00 0.00 WAT +ATOM 25518 H1 TIP3 6403 -30.227 -4.302 -20.561 1.00 0.00 WAT +ATOM 25519 H2 TIP3 6403 -29.771 -5.706 -20.268 1.00 0.00 WAT +ATOM 25520 OH2 TIP3 6404 -41.860 10.789 -20.865 1.00 0.00 WAT +ATOM 25521 H1 TIP3 6404 -42.520 10.612 -21.542 1.00 0.00 WAT +ATOM 25522 H2 TIP3 6404 -41.829 11.754 -20.853 1.00 0.00 WAT +ATOM 25523 OH2 TIP3 6405 -40.017 -3.209 -23.470 1.00 0.00 WAT +ATOM 25524 H1 TIP3 6405 -39.653 -4.064 -23.755 1.00 0.00 WAT +ATOM 25525 H2 TIP3 6405 -39.647 -3.165 -22.572 1.00 0.00 WAT +ATOM 25526 OH2 TIP3 6406 -34.957 -3.185 -20.746 1.00 0.00 WAT +ATOM 25527 H1 TIP3 6406 -34.663 -3.782 -20.042 1.00 0.00 WAT +ATOM 25528 H2 TIP3 6406 -34.764 -2.325 -20.341 1.00 0.00 WAT +ATOM 25529 OH2 TIP3 6407 -32.942 12.603 -22.546 1.00 0.00 WAT +ATOM 25530 H1 TIP3 6407 -31.967 12.576 -22.558 1.00 0.00 WAT +ATOM 25531 H2 TIP3 6407 -33.142 11.910 -23.197 1.00 0.00 WAT +ATOM 25532 OH2 TIP3 6408 -26.396 11.611 -19.915 1.00 0.00 WAT +ATOM 25533 H1 TIP3 6408 -26.638 10.754 -20.326 1.00 0.00 WAT +ATOM 25534 H2 TIP3 6408 -26.483 12.211 -20.671 1.00 0.00 WAT +ATOM 25535 OH2 TIP3 6409 -40.793 -4.441 -8.173 1.00 0.00 WAT +ATOM 25536 H1 TIP3 6409 -41.244 -5.197 -7.763 1.00 0.00 WAT +ATOM 25537 H2 TIP3 6409 -39.878 -4.587 -7.876 1.00 0.00 WAT +ATOM 25538 OH2 TIP3 6410 -38.456 -5.067 -6.429 1.00 0.00 WAT +ATOM 25539 H1 TIP3 6410 -37.617 -5.393 -6.813 1.00 0.00 WAT +ATOM 25540 H2 TIP3 6410 -38.765 -5.863 -5.967 1.00 0.00 WAT +ATOM 25541 OH2 TIP3 6411 -40.111 11.790 -23.865 1.00 0.00 WAT +ATOM 25542 H1 TIP3 6411 -40.427 11.944 -22.962 1.00 0.00 WAT +ATOM 25543 H2 TIP3 6411 -39.428 11.113 -23.720 1.00 0.00 WAT +ATOM 25544 OH2 TIP3 6412 -30.185 -5.944 -6.262 1.00 0.00 WAT +ATOM 25545 H1 TIP3 6412 -30.156 -6.339 -5.367 1.00 0.00 WAT +ATOM 25546 H2 TIP3 6412 -29.248 -5.968 -6.516 1.00 0.00 WAT +ATOM 25547 OH2 TIP3 6413 -13.334 11.607 -15.616 1.00 0.00 WAT +ATOM 25548 H1 TIP3 6413 -12.631 10.975 -15.857 1.00 0.00 WAT +ATOM 25549 H2 TIP3 6413 -13.564 11.376 -14.702 1.00 0.00 WAT +ATOM 25550 OH2 TIP3 6414 -11.141 -1.431 -17.917 1.00 0.00 WAT +ATOM 25551 H1 TIP3 6414 -10.703 -1.716 -17.101 1.00 0.00 WAT +ATOM 25552 H2 TIP3 6414 -10.559 -0.731 -18.238 1.00 0.00 WAT +ATOM 25553 OH2 TIP3 6415 -23.185 6.532 -20.301 1.00 0.00 WAT +ATOM 25554 H1 TIP3 6415 -23.381 7.006 -21.127 1.00 0.00 WAT +ATOM 25555 H2 TIP3 6415 -22.990 7.251 -19.674 1.00 0.00 WAT +ATOM 25556 OH2 TIP3 6416 -11.336 9.974 -16.752 1.00 0.00 WAT +ATOM 25557 H1 TIP3 6416 -10.894 9.154 -17.059 1.00 0.00 WAT +ATOM 25558 H2 TIP3 6416 -10.681 10.638 -17.031 1.00 0.00 WAT +ATOM 25559 OH2 TIP3 6417 -10.111 7.755 -18.278 1.00 0.00 WAT +ATOM 25560 H1 TIP3 6417 -10.506 7.071 -18.832 1.00 0.00 WAT +ATOM 25561 H2 TIP3 6417 -9.755 7.241 -17.533 1.00 0.00 WAT +ATOM 25562 OH2 TIP3 6418 -13.794 1.856 -23.114 1.00 0.00 WAT +ATOM 25563 H1 TIP3 6418 -13.208 2.157 -22.394 1.00 0.00 WAT +ATOM 25564 H2 TIP3 6418 -13.208 1.260 -23.606 1.00 0.00 WAT +ATOM 25565 OH2 TIP3 6419 -11.701 3.053 -21.428 1.00 0.00 WAT +ATOM 25566 H1 TIP3 6419 -11.089 3.020 -20.689 1.00 0.00 WAT +ATOM 25567 H2 TIP3 6419 -11.199 3.558 -22.107 1.00 0.00 WAT +ATOM 25568 OH2 TIP3 6420 -13.912 9.868 -18.263 1.00 0.00 WAT +ATOM 25569 H1 TIP3 6420 -13.612 9.845 -17.349 1.00 0.00 WAT +ATOM 25570 H2 TIP3 6420 -14.710 10.408 -18.236 1.00 0.00 WAT +ATOM 25571 OH2 TIP3 6421 -8.195 -5.265 -22.088 1.00 0.00 WAT +ATOM 25572 H1 TIP3 6421 -9.050 -5.135 -21.629 1.00 0.00 WAT +ATOM 25573 H2 TIP3 6421 -7.819 -4.373 -22.047 1.00 0.00 WAT +ATOM 25574 OH2 TIP3 6422 -6.810 8.904 -23.572 1.00 0.00 WAT +ATOM 25575 H1 TIP3 6422 -6.616 9.833 -23.335 1.00 0.00 WAT +ATOM 25576 H2 TIP3 6422 -5.943 8.480 -23.417 1.00 0.00 WAT +ATOM 25577 OH2 TIP3 6423 -23.725 8.869 -14.114 1.00 0.00 WAT +ATOM 25578 H1 TIP3 6423 -23.154 8.192 -13.736 1.00 0.00 WAT +ATOM 25579 H2 TIP3 6423 -24.113 9.283 -13.333 1.00 0.00 WAT +ATOM 25580 OH2 TIP3 6424 -14.868 12.401 -19.626 1.00 0.00 WAT +ATOM 25581 H1 TIP3 6424 -14.575 12.484 -20.533 1.00 0.00 WAT +ATOM 25582 H2 TIP3 6424 -14.609 13.241 -19.217 1.00 0.00 WAT +ATOM 25583 OH2 TIP3 6425 -20.781 11.395 -17.735 1.00 0.00 WAT +ATOM 25584 H1 TIP3 6425 -20.744 10.907 -16.903 1.00 0.00 WAT +ATOM 25585 H2 TIP3 6425 -21.612 11.062 -18.103 1.00 0.00 WAT +ATOM 25586 OH2 TIP3 6426 -11.428 11.690 -22.445 1.00 0.00 WAT +ATOM 25587 H1 TIP3 6426 -10.773 11.077 -22.843 1.00 0.00 WAT +ATOM 25588 H2 TIP3 6426 -11.366 11.425 -21.503 1.00 0.00 WAT +ATOM 25589 OH2 TIP3 6427 -11.906 11.267 -19.632 1.00 0.00 WAT +ATOM 25590 H1 TIP3 6427 -12.836 11.208 -19.341 1.00 0.00 WAT +ATOM 25591 H2 TIP3 6427 -11.588 10.491 -19.141 1.00 0.00 WAT +ATOM 25592 OH2 TIP3 6428 -10.174 4.010 -23.505 1.00 0.00 WAT +ATOM 25593 H1 TIP3 6428 -10.333 3.811 -24.448 1.00 0.00 WAT +ATOM 25594 H2 TIP3 6428 -9.208 4.165 -23.520 1.00 0.00 WAT +ATOM 25595 OH2 TIP3 6429 -14.407 -2.138 -23.094 1.00 0.00 WAT +ATOM 25596 H1 TIP3 6429 -14.929 -2.272 -22.285 1.00 0.00 WAT +ATOM 25597 H2 TIP3 6429 -14.797 -2.813 -23.674 1.00 0.00 WAT +ATOM 25598 OH2 TIP3 6430 -18.016 -1.805 -24.172 1.00 0.00 WAT +ATOM 25599 H1 TIP3 6430 -18.396 -2.137 -23.334 1.00 0.00 WAT +ATOM 25600 H2 TIP3 6430 -18.807 -1.561 -24.669 1.00 0.00 WAT +ATOM 25601 OH2 TIP3 6431 -23.317 -1.401 -21.339 1.00 0.00 WAT +ATOM 25602 H1 TIP3 6431 -22.685 -0.950 -21.921 1.00 0.00 WAT +ATOM 25603 H2 TIP3 6431 -24.057 -0.792 -21.315 1.00 0.00 WAT +ATOM 25604 OH2 TIP3 6432 -19.322 0.860 -22.315 1.00 0.00 WAT +ATOM 25605 H1 TIP3 6432 -19.904 0.678 -23.064 1.00 0.00 WAT +ATOM 25606 H2 TIP3 6432 -18.496 1.107 -22.760 1.00 0.00 WAT +ATOM 25607 OH2 TIP3 6433 -11.750 -1.508 -22.744 1.00 0.00 WAT +ATOM 25608 H1 TIP3 6433 -12.725 -1.590 -22.836 1.00 0.00 WAT +ATOM 25609 H2 TIP3 6433 -11.643 -0.739 -22.169 1.00 0.00 WAT +ATOM 25610 OH2 TIP3 6434 -10.864 0.406 -20.432 1.00 0.00 WAT +ATOM 25611 H1 TIP3 6434 -9.942 0.134 -20.513 1.00 0.00 WAT +ATOM 25612 H2 TIP3 6434 -10.983 1.059 -21.129 1.00 0.00 WAT +ATOM 25613 OH2 TIP3 6435 -13.701 6.856 -21.828 1.00 0.00 WAT +ATOM 25614 H1 TIP3 6435 -13.894 7.611 -21.242 1.00 0.00 WAT +ATOM 25615 H2 TIP3 6435 -14.147 6.129 -21.377 1.00 0.00 WAT +ATOM 25616 OH2 TIP3 6436 -8.389 8.864 -21.062 1.00 0.00 WAT +ATOM 25617 H1 TIP3 6436 -8.642 8.103 -20.517 1.00 0.00 WAT +ATOM 25618 H2 TIP3 6436 -7.751 8.493 -21.685 1.00 0.00 WAT +ATOM 25619 OH2 TIP3 6437 -22.443 3.269 -23.155 1.00 0.00 WAT +ATOM 25620 H1 TIP3 6437 -21.809 3.621 -22.517 1.00 0.00 WAT +ATOM 25621 H2 TIP3 6437 -23.271 3.291 -22.647 1.00 0.00 WAT +ATOM 25622 OH2 TIP3 6438 -17.907 10.981 -18.493 1.00 0.00 WAT +ATOM 25623 H1 TIP3 6438 -18.843 11.064 -18.255 1.00 0.00 WAT +ATOM 25624 H2 TIP3 6438 -17.543 11.823 -18.176 1.00 0.00 WAT +ATOM 25625 OH2 TIP3 6439 -10.837 7.250 -23.006 1.00 0.00 WAT +ATOM 25626 H1 TIP3 6439 -10.381 6.754 -22.307 1.00 0.00 WAT +ATOM 25627 H2 TIP3 6439 -11.758 7.002 -22.815 1.00 0.00 WAT +ATOM 25628 OH2 TIP3 6440 -6.057 11.524 -22.630 1.00 0.00 WAT +ATOM 25629 H1 TIP3 6440 -5.325 12.132 -22.829 1.00 0.00 WAT +ATOM 25630 H2 TIP3 6440 -6.802 12.145 -22.687 1.00 0.00 WAT +ATOM 25631 OH2 TIP3 6441 -9.496 5.717 -20.597 1.00 0.00 WAT +ATOM 25632 H1 TIP3 6441 -9.958 5.044 -20.088 1.00 0.00 WAT +ATOM 25633 H2 TIP3 6441 -8.619 5.696 -20.198 1.00 0.00 WAT +ATOM 25634 OH2 TIP3 6442 -16.620 8.351 -24.649 1.00 0.00 WAT +ATOM 25635 H1 TIP3 6442 -16.338 7.562 -25.152 1.00 0.00 WAT +ATOM 25636 H2 TIP3 6442 -16.908 7.923 -23.820 1.00 0.00 WAT +ATOM 25637 OH2 TIP3 6443 -17.507 7.774 -21.937 1.00 0.00 WAT +ATOM 25638 H1 TIP3 6443 -17.029 7.306 -21.250 1.00 0.00 WAT +ATOM 25639 H2 TIP3 6443 -17.402 8.708 -21.672 1.00 0.00 WAT +ATOM 25640 OH2 TIP3 6444 -20.525 5.392 -21.057 1.00 0.00 WAT +ATOM 25641 H1 TIP3 6444 -21.454 5.450 -20.781 1.00 0.00 WAT +ATOM 25642 H2 TIP3 6444 -20.516 5.872 -21.894 1.00 0.00 WAT +ATOM 25643 OH2 TIP3 6445 -12.656 -2.832 -19.980 1.00 0.00 WAT +ATOM 25644 H1 TIP3 6445 -12.450 -2.259 -20.726 1.00 0.00 WAT +ATOM 25645 H2 TIP3 6445 -12.278 -2.330 -19.228 1.00 0.00 WAT +ATOM 25646 OH2 TIP3 6446 -14.902 9.454 -21.370 1.00 0.00 WAT +ATOM 25647 H1 TIP3 6446 -15.657 10.032 -21.177 1.00 0.00 WAT +ATOM 25648 H2 TIP3 6446 -14.325 9.993 -21.909 1.00 0.00 WAT +ATOM 25649 OH2 TIP3 6447 -17.592 10.538 -21.303 1.00 0.00 WAT +ATOM 25650 H1 TIP3 6447 -17.721 11.369 -21.795 1.00 0.00 WAT +ATOM 25651 H2 TIP3 6447 -17.738 10.819 -20.375 1.00 0.00 WAT +ATOM 25652 OH2 TIP3 6448 -18.922 -2.590 -21.636 1.00 0.00 WAT +ATOM 25653 H1 TIP3 6448 -18.885 -1.741 -21.179 1.00 0.00 WAT +ATOM 25654 H2 TIP3 6448 -18.166 -3.060 -21.240 1.00 0.00 WAT +ATOM 25655 OH2 TIP3 6449 -20.393 8.040 -22.712 1.00 0.00 WAT +ATOM 25656 H1 TIP3 6449 -19.688 8.602 -22.362 1.00 0.00 WAT +ATOM 25657 H2 TIP3 6449 -19.876 7.477 -23.314 1.00 0.00 WAT +ATOM 25658 OH2 TIP3 6450 -22.331 0.291 -23.613 1.00 0.00 WAT +ATOM 25659 H1 TIP3 6450 -22.267 1.208 -23.306 1.00 0.00 WAT +ATOM 25660 H2 TIP3 6450 -23.244 0.239 -23.927 1.00 0.00 WAT +ATOM 25661 OH2 TIP3 6451 -22.466 8.858 -18.546 1.00 0.00 WAT +ATOM 25662 H1 TIP3 6451 -23.314 9.294 -18.406 1.00 0.00 WAT +ATOM 25663 H2 TIP3 6451 -22.116 9.352 -19.304 1.00 0.00 WAT +ATOM 25664 OH2 TIP3 6452 -14.431 10.355 -24.527 1.00 0.00 WAT +ATOM 25665 H1 TIP3 6452 -15.134 9.671 -24.432 1.00 0.00 WAT +ATOM 25666 H2 TIP3 6452 -13.693 9.773 -24.802 1.00 0.00 WAT +ATOM 25667 OH2 TIP3 6453 -9.747 9.932 -24.013 1.00 0.00 WAT +ATOM 25668 H1 TIP3 6453 -9.597 9.141 -23.467 1.00 0.00 WAT +ATOM 25669 H2 TIP3 6453 -8.941 9.942 -24.562 1.00 0.00 WAT +ATOM 25670 OH2 TIP3 6454 -18.960 5.756 -24.173 1.00 0.00 WAT +ATOM 25671 H1 TIP3 6454 -18.754 5.090 -23.489 1.00 0.00 WAT +ATOM 25672 H2 TIP3 6454 -18.133 5.731 -24.688 1.00 0.00 WAT +ATOM 25673 OH2 TIP3 6455 -13.739 7.152 -24.575 1.00 0.00 WAT +ATOM 25674 H1 TIP3 6455 -13.799 7.056 -23.601 1.00 0.00 WAT +ATOM 25675 H2 TIP3 6455 -13.767 6.205 -24.830 1.00 0.00 WAT +ATOM 25676 OH2 TIP3 6456 -17.883 4.000 -21.876 1.00 0.00 WAT +ATOM 25677 H1 TIP3 6456 -18.298 3.440 -21.206 1.00 0.00 WAT +ATOM 25678 H2 TIP3 6456 -17.443 3.322 -22.426 1.00 0.00 WAT +ATOM 25679 OH2 TIP3 6457 -16.858 1.973 -23.643 1.00 0.00 WAT +ATOM 25680 H1 TIP3 6457 -16.927 1.964 -24.613 1.00 0.00 WAT +ATOM 25681 H2 TIP3 6457 -15.895 1.894 -23.510 1.00 0.00 WAT +ATOM 25682 OH2 TIP3 6458 -7.468 4.280 -24.102 1.00 0.00 WAT +ATOM 25683 H1 TIP3 6458 -7.267 3.756 -24.888 1.00 0.00 WAT +ATOM 25684 H2 TIP3 6458 -7.281 5.185 -24.389 1.00 0.00 WAT +ATOM 25685 OH2 TIP3 6459 -15.690 3.347 -10.991 1.00 0.00 WAT +ATOM 25686 H1 TIP3 6459 -14.863 3.050 -11.370 1.00 0.00 WAT +ATOM 25687 H2 TIP3 6459 -16.347 3.037 -11.617 1.00 0.00 WAT +ATOM 25688 OH2 TIP3 6460 -16.743 -5.161 -8.402 1.00 0.00 WAT +ATOM 25689 H1 TIP3 6460 -16.927 -4.514 -9.101 1.00 0.00 WAT +ATOM 25690 H2 TIP3 6460 -16.247 -5.823 -8.899 1.00 0.00 WAT +ATOM 25691 OH2 TIP3 6461 -16.476 -4.264 -5.808 1.00 0.00 WAT +ATOM 25692 H1 TIP3 6461 -16.412 -4.595 -6.723 1.00 0.00 WAT +ATOM 25693 H2 TIP3 6461 -16.601 -3.319 -5.900 1.00 0.00 WAT +ATOM 25694 OH2 TIP3 6462 -17.137 13.248 -22.798 1.00 0.00 WAT +ATOM 25695 H1 TIP3 6462 -16.187 13.320 -22.661 1.00 0.00 WAT +ATOM 25696 H2 TIP3 6462 -17.318 13.824 -23.548 1.00 0.00 WAT +ATOM 25697 OH2 TIP3 6463 -23.211 7.518 -23.102 1.00 0.00 WAT +ATOM 25698 H1 TIP3 6463 -22.256 7.655 -22.936 1.00 0.00 WAT +ATOM 25699 H2 TIP3 6463 -23.215 6.726 -23.680 1.00 0.00 WAT +ATOM 25700 OH2 TIP3 6464 -24.125 12.717 -18.293 1.00 0.00 WAT +ATOM 25701 H1 TIP3 6464 -24.851 12.334 -18.823 1.00 0.00 WAT +ATOM 25702 H2 TIP3 6464 -24.006 12.047 -17.592 1.00 0.00 WAT +ATOM 25703 OH2 TIP3 6465 -23.622 10.865 -16.191 1.00 0.00 WAT +ATOM 25704 H1 TIP3 6465 -23.888 9.954 -15.979 1.00 0.00 WAT +ATOM 25705 H2 TIP3 6465 -23.841 11.276 -15.331 1.00 0.00 WAT +ATOM 25706 OH2 TIP3 6466 -6.359 11.912 -13.512 1.00 0.00 WAT +ATOM 25707 H1 TIP3 6466 -6.518 11.890 -12.562 1.00 0.00 WAT +ATOM 25708 H2 TIP3 6466 -5.709 12.607 -13.600 1.00 0.00 WAT +ATOM 25709 OH2 TIP3 6467 -7.936 0.753 -23.435 1.00 0.00 WAT +ATOM 25710 H1 TIP3 6467 -7.610 1.289 -24.162 1.00 0.00 WAT +ATOM 25711 H2 TIP3 6467 -8.044 -0.128 -23.835 1.00 0.00 WAT +ATOM 25712 OH2 TIP3 6468 -23.375 4.248 -14.098 1.00 0.00 WAT +ATOM 25713 H1 TIP3 6468 -23.239 3.712 -14.886 1.00 0.00 WAT +ATOM 25714 H2 TIP3 6468 -22.745 3.828 -13.487 1.00 0.00 WAT +ATOM 25715 OH2 TIP3 6469 -8.539 -1.892 -24.449 1.00 0.00 WAT +ATOM 25716 H1 TIP3 6469 -7.901 -2.342 -23.855 1.00 0.00 WAT +ATOM 25717 H2 TIP3 6469 -9.328 -2.449 -24.396 1.00 0.00 WAT +ATOM 25718 OH2 TIP3 6470 -8.180 -3.128 -19.278 1.00 0.00 WAT +ATOM 25719 H1 TIP3 6470 -8.170 -3.446 -18.371 1.00 0.00 WAT +ATOM 25720 H2 TIP3 6470 -9.004 -3.509 -19.619 1.00 0.00 WAT +ATOM 25721 OH2 TIP3 6471 -6.352 -2.906 -23.013 1.00 0.00 WAT +ATOM 25722 H1 TIP3 6471 -5.944 -3.761 -23.215 1.00 0.00 WAT +ATOM 25723 H2 TIP3 6471 -5.617 -2.444 -22.569 1.00 0.00 WAT +ATOM 25724 OH2 TIP3 6472 -9.451 12.145 -17.574 1.00 0.00 WAT +ATOM 25725 H1 TIP3 6472 -8.954 11.798 -18.335 1.00 0.00 WAT +ATOM 25726 H2 TIP3 6472 -8.735 12.345 -16.960 1.00 0.00 WAT +ATOM 25727 OH2 TIP3 6473 -14.495 12.457 -12.734 1.00 0.00 WAT +ATOM 25728 H1 TIP3 6473 -14.987 13.009 -13.350 1.00 0.00 WAT +ATOM 25729 H2 TIP3 6473 -14.434 12.990 -11.926 1.00 0.00 WAT +ATOM 25730 OH2 TIP3 6474 -23.088 -5.065 -21.756 1.00 0.00 WAT +ATOM 25731 H1 TIP3 6474 -22.498 -4.446 -22.221 1.00 0.00 WAT +ATOM 25732 H2 TIP3 6474 -23.488 -4.483 -21.096 1.00 0.00 WAT +ATOM 25733 OH2 TIP3 6475 -10.530 -4.774 -20.486 1.00 0.00 WAT +ATOM 25734 H1 TIP3 6475 -11.351 -4.248 -20.451 1.00 0.00 WAT +ATOM 25735 H2 TIP3 6475 -10.853 -5.642 -20.196 1.00 0.00 WAT +ATOM 25736 OH2 TIP3 6476 -22.729 10.749 -20.649 1.00 0.00 WAT +ATOM 25737 H1 TIP3 6476 -23.392 10.618 -21.346 1.00 0.00 WAT +ATOM 25738 H2 TIP3 6476 -22.795 11.706 -20.525 1.00 0.00 WAT +ATOM 25739 OH2 TIP3 6477 -21.156 -3.315 -23.246 1.00 0.00 WAT +ATOM 25740 H1 TIP3 6477 -20.561 -3.893 -23.747 1.00 0.00 WAT +ATOM 25741 H2 TIP3 6477 -20.577 -3.034 -22.508 1.00 0.00 WAT +ATOM 25742 OH2 TIP3 6478 -16.039 -2.905 -20.664 1.00 0.00 WAT +ATOM 25743 H1 TIP3 6478 -15.952 -3.627 -20.029 1.00 0.00 WAT +ATOM 25744 H2 TIP3 6478 -16.058 -2.141 -20.080 1.00 0.00 WAT +ATOM 25745 OH2 TIP3 6479 -14.047 12.631 -23.036 1.00 0.00 WAT +ATOM 25746 H1 TIP3 6479 -13.144 12.564 -22.658 1.00 0.00 WAT +ATOM 25747 H2 TIP3 6479 -14.249 11.688 -23.189 1.00 0.00 WAT +ATOM 25748 OH2 TIP3 6480 -7.574 11.629 -19.910 1.00 0.00 WAT +ATOM 25749 H1 TIP3 6480 -7.776 10.771 -20.333 1.00 0.00 WAT +ATOM 25750 H2 TIP3 6480 -7.563 12.219 -20.679 1.00 0.00 WAT +ATOM 25751 OH2 TIP3 6481 -21.271 11.782 -23.831 1.00 0.00 WAT +ATOM 25752 H1 TIP3 6481 -21.613 11.972 -22.945 1.00 0.00 WAT +ATOM 25753 H2 TIP3 6481 -20.598 11.108 -23.657 1.00 0.00 WAT +ATOM 25754 OH2 TIP3 6482 -4.578 6.712 -20.239 1.00 0.00 WAT +ATOM 25755 H1 TIP3 6482 -4.767 6.930 -21.164 1.00 0.00 WAT +ATOM 25756 H2 TIP3 6482 -4.472 7.572 -19.832 1.00 0.00 WAT +ATOM 25757 OH2 TIP3 6483 7.481 10.080 -16.999 1.00 0.00 WAT +ATOM 25758 H1 TIP3 6483 7.961 9.290 -17.294 1.00 0.00 WAT +ATOM 25759 H2 TIP3 6483 7.987 10.807 -17.371 1.00 0.00 WAT +ATOM 25760 OH2 TIP3 6484 8.812 7.767 -18.416 1.00 0.00 WAT +ATOM 25761 H1 TIP3 6484 8.235 7.161 -18.895 1.00 0.00 WAT +ATOM 25762 H2 TIP3 6484 8.859 7.378 -17.534 1.00 0.00 WAT +ATOM 25763 OH2 TIP3 6485 4.469 3.245 -20.263 1.00 0.00 WAT +ATOM 25764 H1 TIP3 6485 4.104 4.115 -20.052 1.00 0.00 WAT +ATOM 25765 H2 TIP3 6485 5.413 3.390 -20.209 1.00 0.00 WAT +ATOM 25766 OH2 TIP3 6486 7.689 4.206 -19.243 1.00 0.00 WAT +ATOM 25767 H1 TIP3 6486 6.999 4.115 -18.563 1.00 0.00 WAT +ATOM 25768 H2 TIP3 6486 8.222 3.429 -19.071 1.00 0.00 WAT +ATOM 25769 OH2 TIP3 6487 7.032 2.666 -22.070 1.00 0.00 WAT +ATOM 25770 H1 TIP3 6487 7.161 2.961 -21.167 1.00 0.00 WAT +ATOM 25771 H2 TIP3 6487 7.499 3.356 -22.585 1.00 0.00 WAT +ATOM 25772 OH2 TIP3 6488 4.856 9.756 -18.245 1.00 0.00 WAT +ATOM 25773 H1 TIP3 6488 5.199 9.684 -17.345 1.00 0.00 WAT +ATOM 25774 H2 TIP3 6488 4.192 10.446 -18.200 1.00 0.00 WAT +ATOM 25775 OH2 TIP3 6489 12.036 8.903 -23.583 1.00 0.00 WAT +ATOM 25776 H1 TIP3 6489 12.250 9.827 -23.342 1.00 0.00 WAT +ATOM 25777 H2 TIP3 6489 12.885 8.460 -23.382 1.00 0.00 WAT +ATOM 25778 OH2 TIP3 6490 4.023 12.394 -19.576 1.00 0.00 WAT +ATOM 25779 H1 TIP3 6490 4.220 12.387 -20.525 1.00 0.00 WAT +ATOM 25780 H2 TIP3 6490 4.272 13.285 -19.298 1.00 0.00 WAT +ATOM 25781 OH2 TIP3 6491 7.458 11.940 -22.850 1.00 0.00 WAT +ATOM 25782 H1 TIP3 6491 8.020 11.223 -23.202 1.00 0.00 WAT +ATOM 25783 H2 TIP3 6491 7.503 11.752 -21.895 1.00 0.00 WAT +ATOM 25784 OH2 TIP3 6492 6.886 11.312 -19.789 1.00 0.00 WAT +ATOM 25785 H1 TIP3 6492 5.942 11.303 -19.558 1.00 0.00 WAT +ATOM 25786 H2 TIP3 6492 7.149 10.536 -19.269 1.00 0.00 WAT +ATOM 25787 OH2 TIP3 6493 8.767 4.248 -23.592 1.00 0.00 WAT +ATOM 25788 H1 TIP3 6493 8.613 3.939 -24.504 1.00 0.00 WAT +ATOM 25789 H2 TIP3 6493 9.742 4.276 -23.559 1.00 0.00 WAT +ATOM 25790 OH2 TIP3 6494 -4.401 -1.188 -21.488 1.00 0.00 WAT +ATOM 25791 H1 TIP3 6494 -3.778 -0.696 -22.058 1.00 0.00 WAT +ATOM 25792 H2 TIP3 6494 -4.970 -0.482 -21.164 1.00 0.00 WAT +ATOM 25793 OH2 TIP3 6495 2.727 5.447 -20.575 1.00 0.00 WAT +ATOM 25794 H1 TIP3 6495 2.025 4.787 -20.621 1.00 0.00 WAT +ATOM 25795 H2 TIP3 6495 2.840 5.578 -19.608 1.00 0.00 WAT +ATOM 25796 OH2 TIP3 6496 7.135 -1.618 -22.866 1.00 0.00 WAT +ATOM 25797 H1 TIP3 6496 6.208 -1.731 -22.622 1.00 0.00 WAT +ATOM 25798 H2 TIP3 6496 7.398 -0.912 -22.256 1.00 0.00 WAT +ATOM 25799 OH2 TIP3 6497 8.220 0.317 -20.545 1.00 0.00 WAT +ATOM 25800 H1 TIP3 6497 9.112 0.158 -20.854 1.00 0.00 WAT +ATOM 25801 H2 TIP3 6497 7.838 0.933 -21.187 1.00 0.00 WAT +ATOM 25802 OH2 TIP3 6498 5.338 6.976 -21.813 1.00 0.00 WAT +ATOM 25803 H1 TIP3 6498 5.142 7.743 -21.239 1.00 0.00 WAT +ATOM 25804 H2 TIP3 6498 4.772 6.311 -21.388 1.00 0.00 WAT +ATOM 25805 OH2 TIP3 6499 10.607 8.906 -20.954 1.00 0.00 WAT +ATOM 25806 H1 TIP3 6499 10.140 8.123 -20.608 1.00 0.00 WAT +ATOM 25807 H2 TIP3 6499 11.057 8.548 -21.729 1.00 0.00 WAT +ATOM 25808 OH2 TIP3 6500 -3.755 3.277 -23.115 1.00 0.00 WAT +ATOM 25809 H1 TIP3 6500 -3.095 3.646 -22.505 1.00 0.00 WAT +ATOM 25810 H2 TIP3 6500 -4.549 3.317 -22.553 1.00 0.00 WAT +ATOM 25811 OH2 TIP3 6501 0.350 11.007 -18.240 1.00 0.00 WAT +ATOM 25812 H1 TIP3 6501 -0.310 11.576 -18.626 1.00 0.00 WAT +ATOM 25813 H2 TIP3 6501 1.046 11.646 -18.000 1.00 0.00 WAT +ATOM 25814 OH2 TIP3 6502 8.014 7.371 -23.116 1.00 0.00 WAT +ATOM 25815 H1 TIP3 6502 8.482 6.812 -22.476 1.00 0.00 WAT +ATOM 25816 H2 TIP3 6502 7.092 7.171 -22.864 1.00 0.00 WAT +ATOM 25817 OH2 TIP3 6503 12.911 11.470 -22.684 1.00 0.00 WAT +ATOM 25818 H1 TIP3 6503 13.592 12.135 -22.886 1.00 0.00 WAT +ATOM 25819 H2 TIP3 6503 12.134 12.055 -22.647 1.00 0.00 WAT +ATOM 25820 OH2 TIP3 6504 9.663 6.004 -20.800 1.00 0.00 WAT +ATOM 25821 H1 TIP3 6504 8.976 5.420 -20.439 1.00 0.00 WAT +ATOM 25822 H2 TIP3 6504 10.447 5.713 -20.320 1.00 0.00 WAT +ATOM 25823 OH2 TIP3 6505 2.251 8.313 -24.651 1.00 0.00 WAT +ATOM 25824 H1 TIP3 6505 2.533 7.504 -25.123 1.00 0.00 WAT +ATOM 25825 H2 TIP3 6505 1.889 7.927 -23.833 1.00 0.00 WAT +ATOM 25826 OH2 TIP3 6506 1.191 7.836 -21.884 1.00 0.00 WAT +ATOM 25827 H1 TIP3 6506 1.676 7.259 -21.267 1.00 0.00 WAT +ATOM 25828 H2 TIP3 6506 1.337 8.722 -21.500 1.00 0.00 WAT +ATOM 25829 OH2 TIP3 6507 -1.955 5.206 -21.256 1.00 0.00 WAT +ATOM 25830 H1 TIP3 6507 -2.809 5.419 -20.864 1.00 0.00 WAT +ATOM 25831 H2 TIP3 6507 -1.720 5.987 -21.766 1.00 0.00 WAT +ATOM 25832 OH2 TIP3 6508 4.064 9.580 -21.323 1.00 0.00 WAT +ATOM 25833 H1 TIP3 6508 3.219 10.019 -21.165 1.00 0.00 WAT +ATOM 25834 H2 TIP3 6508 4.407 10.010 -22.110 1.00 0.00 WAT +ATOM 25835 OH2 TIP3 6509 1.155 10.569 -21.226 1.00 0.00 WAT +ATOM 25836 H1 TIP3 6509 1.164 11.389 -21.762 1.00 0.00 WAT +ATOM 25837 H2 TIP3 6509 1.176 10.905 -20.320 1.00 0.00 WAT +ATOM 25838 OH2 TIP3 6510 -1.595 8.043 -22.715 1.00 0.00 WAT +ATOM 25839 H1 TIP3 6510 -0.859 8.542 -22.321 1.00 0.00 WAT +ATOM 25840 H2 TIP3 6510 -1.083 7.492 -23.330 1.00 0.00 WAT +ATOM 25841 OH2 TIP3 6511 -3.430 0.373 -23.641 1.00 0.00 WAT +ATOM 25842 H1 TIP3 6511 -3.366 1.308 -23.393 1.00 0.00 WAT +ATOM 25843 H2 TIP3 6511 -4.331 0.293 -23.971 1.00 0.00 WAT +ATOM 25844 OH2 TIP3 6512 4.456 10.070 -24.250 1.00 0.00 WAT +ATOM 25845 H1 TIP3 6512 3.700 9.443 -24.247 1.00 0.00 WAT +ATOM 25846 H2 TIP3 6512 5.171 9.455 -24.483 1.00 0.00 WAT +ATOM 25847 OH2 TIP3 6513 9.146 9.941 -24.117 1.00 0.00 WAT +ATOM 25848 H1 TIP3 6513 9.194 9.151 -23.548 1.00 0.00 WAT +ATOM 25849 H2 TIP3 6513 10.006 9.907 -24.575 1.00 0.00 WAT +ATOM 25850 OH2 TIP3 6514 -0.101 5.704 -24.245 1.00 0.00 WAT +ATOM 25851 H1 TIP3 6514 0.029 4.962 -23.638 1.00 0.00 WAT +ATOM 25852 H2 TIP3 6514 0.758 5.719 -24.705 1.00 0.00 WAT +ATOM 25853 OH2 TIP3 6515 5.154 7.095 -24.636 1.00 0.00 WAT +ATOM 25854 H1 TIP3 6515 5.087 7.031 -23.662 1.00 0.00 WAT +ATOM 25855 H2 TIP3 6515 5.088 6.142 -24.862 1.00 0.00 WAT +ATOM 25856 OH2 TIP3 6516 11.543 4.289 -24.100 1.00 0.00 WAT +ATOM 25857 H1 TIP3 6516 11.573 3.780 -24.919 1.00 0.00 WAT +ATOM 25858 H2 TIP3 6516 11.541 5.209 -24.409 1.00 0.00 WAT +ATOM 25859 OH2 TIP3 6517 1.719 13.121 -22.578 1.00 0.00 WAT +ATOM 25860 H1 TIP3 6517 2.678 13.217 -22.473 1.00 0.00 WAT +ATOM 25861 H2 TIP3 6517 1.587 13.596 -23.410 1.00 0.00 WAT +ATOM 25862 OH2 TIP3 6518 -4.377 7.496 -23.084 1.00 0.00 WAT +ATOM 25863 H1 TIP3 6518 -3.423 7.671 -22.928 1.00 0.00 WAT +ATOM 25864 H2 TIP3 6518 -4.345 6.713 -23.674 1.00 0.00 WAT +ATOM 25865 OH2 TIP3 6519 -5.349 12.661 -18.197 1.00 0.00 WAT +ATOM 25866 H1 TIP3 6519 -6.056 12.310 -18.773 1.00 0.00 WAT +ATOM 25867 H2 TIP3 6519 -5.224 11.925 -17.570 1.00 0.00 WAT +ATOM 25868 OH2 TIP3 6520 -4.672 10.618 -16.174 1.00 0.00 WAT +ATOM 25869 H1 TIP3 6520 -5.209 9.811 -16.103 1.00 0.00 WAT +ATOM 25870 H2 TIP3 6520 -4.767 10.947 -15.271 1.00 0.00 WAT +ATOM 25871 OH2 TIP3 6521 10.632 0.815 -23.757 1.00 0.00 WAT +ATOM 25872 H1 TIP3 6521 11.151 1.332 -24.385 1.00 0.00 WAT +ATOM 25873 H2 TIP3 6521 10.691 -0.086 -24.112 1.00 0.00 WAT +ATOM 25874 OH2 TIP3 6522 10.461 -2.070 -24.268 1.00 0.00 WAT +ATOM 25875 H1 TIP3 6522 10.880 -2.669 -23.645 1.00 0.00 WAT +ATOM 25876 H2 TIP3 6522 9.581 -2.454 -24.391 1.00 0.00 WAT +ATOM 25877 OH2 TIP3 6523 -5.383 -3.481 -20.047 1.00 0.00 WAT +ATOM 25878 H1 TIP3 6523 -6.216 -3.086 -19.742 1.00 0.00 WAT +ATOM 25879 H2 TIP3 6523 -4.849 -2.714 -20.299 1.00 0.00 WAT +ATOM 25880 OH2 TIP3 6524 9.383 12.293 -18.143 1.00 0.00 WAT +ATOM 25881 H1 TIP3 6524 10.083 11.968 -18.739 1.00 0.00 WAT +ATOM 25882 H2 TIP3 6524 9.736 12.109 -17.273 1.00 0.00 WAT +ATOM 25883 OH2 TIP3 6525 9.285 13.129 -11.435 1.00 0.00 WAT +ATOM 25884 H1 TIP3 6525 9.151 14.021 -11.794 1.00 0.00 WAT +ATOM 25885 H2 TIP3 6525 9.008 12.524 -12.132 1.00 0.00 WAT +ATOM 25886 OH2 TIP3 6526 8.715 -4.888 -20.334 1.00 0.00 WAT +ATOM 25887 H1 TIP3 6526 7.993 -4.267 -20.474 1.00 0.00 WAT +ATOM 25888 H2 TIP3 6526 8.311 -5.716 -20.631 1.00 0.00 WAT +ATOM 25889 OH2 TIP3 6527 -3.868 10.610 -20.418 1.00 0.00 WAT +ATOM 25890 H1 TIP3 6527 -4.464 10.423 -21.156 1.00 0.00 WAT +ATOM 25891 H2 TIP3 6527 -3.955 11.570 -20.361 1.00 0.00 WAT +ATOM 25892 OH2 TIP3 6528 -2.273 -3.285 -23.224 1.00 0.00 WAT +ATOM 25893 H1 TIP3 6528 -1.710 -3.993 -23.562 1.00 0.00 WAT +ATOM 25894 H2 TIP3 6528 -1.718 -2.849 -22.573 1.00 0.00 WAT +ATOM 25895 OH2 TIP3 6529 4.730 12.593 -22.574 1.00 0.00 WAT +ATOM 25896 H1 TIP3 6529 5.704 12.583 -22.643 1.00 0.00 WAT +ATOM 25897 H2 TIP3 6529 4.507 11.886 -23.200 1.00 0.00 WAT +ATOM 25898 OH2 TIP3 6530 11.452 11.569 -19.875 1.00 0.00 WAT +ATOM 25899 H1 TIP3 6530 11.175 10.730 -20.305 1.00 0.00 WAT +ATOM 25900 H2 TIP3 6530 11.307 12.208 -20.594 1.00 0.00 WAT +ATOM 25901 OH2 TIP3 6531 -2.488 11.702 -23.818 1.00 0.00 WAT +ATOM 25902 H1 TIP3 6531 -2.694 11.986 -22.917 1.00 0.00 WAT +ATOM 25903 H2 TIP3 6531 -1.716 11.124 -23.691 1.00 0.00 WAT +ATOM 25904 OH2 TIP3 6532 24.956 4.018 -17.419 1.00 0.00 WAT +ATOM 25905 H1 TIP3 6532 24.953 4.976 -17.272 1.00 0.00 WAT +ATOM 25906 H2 TIP3 6532 24.222 3.906 -18.038 1.00 0.00 WAT +ATOM 25907 OH2 TIP3 6533 23.881 3.409 -14.264 1.00 0.00 WAT +ATOM 25908 H1 TIP3 6533 23.750 2.869 -13.469 1.00 0.00 WAT +ATOM 25909 H2 TIP3 6533 23.568 2.812 -14.957 1.00 0.00 WAT +ATOM 25910 OH2 TIP3 6534 27.490 6.254 -16.009 1.00 0.00 WAT +ATOM 25911 H1 TIP3 6534 27.135 5.520 -15.486 1.00 0.00 WAT +ATOM 25912 H2 TIP3 6534 27.778 6.848 -15.301 1.00 0.00 WAT +ATOM 25913 OH2 TIP3 6535 24.551 11.574 -15.509 1.00 0.00 WAT +ATOM 25914 H1 TIP3 6535 25.149 10.845 -15.759 1.00 0.00 WAT +ATOM 25915 H2 TIP3 6535 24.263 11.293 -14.630 1.00 0.00 WAT +ATOM 25916 OH2 TIP3 6536 22.252 5.947 -13.920 1.00 0.00 WAT +ATOM 25917 H1 TIP3 6536 22.733 5.171 -14.244 1.00 0.00 WAT +ATOM 25918 H2 TIP3 6536 22.774 6.154 -13.128 1.00 0.00 WAT +ATOM 25919 OH2 TIP3 6537 30.967 -2.433 -13.168 1.00 0.00 WAT +ATOM 25920 H1 TIP3 6537 31.182 -1.867 -12.414 1.00 0.00 WAT +ATOM 25921 H2 TIP3 6537 31.652 -2.178 -13.810 1.00 0.00 WAT +ATOM 25922 OH2 TIP3 6538 25.560 0.327 -13.250 1.00 0.00 WAT +ATOM 25923 H1 TIP3 6538 25.706 -0.635 -13.233 1.00 0.00 WAT +ATOM 25924 H2 TIP3 6538 25.429 0.477 -14.200 1.00 0.00 WAT +ATOM 25925 OH2 TIP3 6539 26.431 -1.488 -17.882 1.00 0.00 WAT +ATOM 25926 H1 TIP3 6539 26.978 -1.909 -17.182 1.00 0.00 WAT +ATOM 25927 H2 TIP3 6539 27.113 -1.031 -18.392 1.00 0.00 WAT +ATOM 25928 OH2 TIP3 6540 31.639 -0.939 -10.407 1.00 0.00 WAT +ATOM 25929 H1 TIP3 6540 30.974 -0.316 -10.743 1.00 0.00 WAT +ATOM 25930 H2 TIP3 6540 31.190 -1.278 -9.619 1.00 0.00 WAT +ATOM 25931 OH2 TIP3 6541 24.854 6.885 -18.630 1.00 0.00 WAT +ATOM 25932 H1 TIP3 6541 24.588 6.667 -19.526 1.00 0.00 WAT +ATOM 25933 H2 TIP3 6541 24.437 7.749 -18.473 1.00 0.00 WAT +ATOM 25934 OH2 TIP3 6542 28.254 -2.215 -15.820 1.00 0.00 WAT +ATOM 25935 H1 TIP3 6542 27.914 -2.899 -15.228 1.00 0.00 WAT +ATOM 25936 H2 TIP3 6542 28.766 -1.664 -15.204 1.00 0.00 WAT +ATOM 25937 OH2 TIP3 6543 18.386 7.069 -11.092 1.00 0.00 WAT +ATOM 25938 H1 TIP3 6543 18.199 7.938 -11.464 1.00 0.00 WAT +ATOM 25939 H2 TIP3 6543 17.573 6.810 -10.663 1.00 0.00 WAT +ATOM 25940 OH2 TIP3 6544 14.553 6.756 -20.186 1.00 0.00 WAT +ATOM 25941 H1 TIP3 6544 14.096 6.883 -21.027 1.00 0.00 WAT +ATOM 25942 H2 TIP3 6544 14.462 7.619 -19.775 1.00 0.00 WAT +ATOM 25943 OH2 TIP3 6545 28.084 8.065 -13.525 1.00 0.00 WAT +ATOM 25944 H1 TIP3 6545 27.112 8.127 -13.458 1.00 0.00 WAT +ATOM 25945 H2 TIP3 6545 28.305 8.947 -13.872 1.00 0.00 WAT +ATOM 25946 OH2 TIP3 6546 28.345 -2.787 -11.920 1.00 0.00 WAT +ATOM 25947 H1 TIP3 6546 27.558 -2.705 -12.489 1.00 0.00 WAT +ATOM 25948 H2 TIP3 6546 29.058 -2.917 -12.570 1.00 0.00 WAT +ATOM 25949 OH2 TIP3 6547 21.410 -5.278 -14.961 1.00 0.00 WAT +ATOM 25950 H1 TIP3 6547 21.363 -6.253 -14.963 1.00 0.00 WAT +ATOM 25951 H2 TIP3 6547 20.623 -5.052 -14.435 1.00 0.00 WAT +ATOM 25952 OH2 TIP3 6548 26.358 9.969 -17.014 1.00 0.00 WAT +ATOM 25953 H1 TIP3 6548 26.860 9.167 -17.260 1.00 0.00 WAT +ATOM 25954 H2 TIP3 6548 27.051 10.653 -17.060 1.00 0.00 WAT +ATOM 25955 OH2 TIP3 6549 27.820 7.832 -18.349 1.00 0.00 WAT +ATOM 25956 H1 TIP3 6549 27.309 7.345 -19.010 1.00 0.00 WAT +ATOM 25957 H2 TIP3 6549 27.775 7.215 -17.590 1.00 0.00 WAT +ATOM 25958 OH2 TIP3 6550 29.711 6.626 -9.936 1.00 0.00 WAT +ATOM 25959 H1 TIP3 6550 29.336 5.900 -10.474 1.00 0.00 WAT +ATOM 25960 H2 TIP3 6550 29.331 7.401 -10.383 1.00 0.00 WAT +ATOM 25961 OH2 TIP3 6551 23.617 3.653 -20.123 1.00 0.00 WAT +ATOM 25962 H1 TIP3 6551 22.928 4.053 -20.675 1.00 0.00 WAT +ATOM 25963 H2 TIP3 6551 24.361 3.582 -20.747 1.00 0.00 WAT +ATOM 25964 OH2 TIP3 6552 23.904 1.808 -23.130 1.00 0.00 WAT +ATOM 25965 H1 TIP3 6552 24.607 2.067 -22.507 1.00 0.00 WAT +ATOM 25966 H2 TIP3 6552 24.376 1.162 -23.675 1.00 0.00 WAT +ATOM 25967 OH2 TIP3 6553 27.130 3.567 -19.071 1.00 0.00 WAT +ATOM 25968 H1 TIP3 6553 26.450 3.761 -18.385 1.00 0.00 WAT +ATOM 25969 H2 TIP3 6553 27.739 3.001 -18.559 1.00 0.00 WAT +ATOM 25970 OH2 TIP3 6554 20.115 7.801 -14.886 1.00 0.00 WAT +ATOM 25971 H1 TIP3 6554 20.101 6.921 -15.262 1.00 0.00 WAT +ATOM 25972 H2 TIP3 6554 20.599 7.583 -14.070 1.00 0.00 WAT +ATOM 25973 OH2 TIP3 6555 25.253 8.648 -13.291 1.00 0.00 WAT +ATOM 25974 H1 TIP3 6555 25.331 9.342 -12.607 1.00 0.00 WAT +ATOM 25975 H2 TIP3 6555 25.031 7.852 -12.780 1.00 0.00 WAT +ATOM 25976 OH2 TIP3 6556 26.050 3.053 -21.615 1.00 0.00 WAT +ATOM 25977 H1 TIP3 6556 26.543 3.281 -20.798 1.00 0.00 WAT +ATOM 25978 H2 TIP3 6556 26.566 3.552 -22.294 1.00 0.00 WAT +ATOM 25979 OH2 TIP3 6557 23.499 9.625 -18.076 1.00 0.00 WAT +ATOM 25980 H1 TIP3 6557 24.007 9.830 -17.278 1.00 0.00 WAT +ATOM 25981 H2 TIP3 6557 23.079 10.471 -18.284 1.00 0.00 WAT +ATOM 25982 OH2 TIP3 6558 29.511 -5.246 -22.142 1.00 0.00 WAT +ATOM 25983 H1 TIP3 6558 28.630 -5.151 -21.732 1.00 0.00 WAT +ATOM 25984 H2 TIP3 6558 29.862 -4.345 -22.058 1.00 0.00 WAT +ATOM 25985 OH2 TIP3 6559 30.900 8.893 -23.604 1.00 0.00 WAT +ATOM 25986 H1 TIP3 6559 31.064 9.822 -23.346 1.00 0.00 WAT +ATOM 25987 H2 TIP3 6559 31.764 8.479 -23.405 1.00 0.00 WAT +ATOM 25988 OH2 TIP3 6560 22.998 12.312 -19.599 1.00 0.00 WAT +ATOM 25989 H1 TIP3 6560 23.110 12.460 -20.555 1.00 0.00 WAT +ATOM 25990 H2 TIP3 6560 23.083 13.209 -19.234 1.00 0.00 WAT +ATOM 25991 OH2 TIP3 6561 16.804 11.001 -18.026 1.00 0.00 WAT +ATOM 25992 H1 TIP3 6561 16.871 10.785 -17.067 1.00 0.00 WAT +ATOM 25993 H2 TIP3 6561 15.887 10.774 -18.235 1.00 0.00 WAT +ATOM 25994 OH2 TIP3 6562 26.374 11.753 -22.400 1.00 0.00 WAT +ATOM 25995 H1 TIP3 6562 26.960 11.099 -22.830 1.00 0.00 WAT +ATOM 25996 H2 TIP3 6562 26.332 11.399 -21.487 1.00 0.00 WAT +ATOM 25997 OH2 TIP3 6563 25.767 11.180 -19.602 1.00 0.00 WAT +ATOM 25998 H1 TIP3 6563 24.826 11.305 -19.400 1.00 0.00 WAT +ATOM 25999 H2 TIP3 6563 25.991 10.503 -18.936 1.00 0.00 WAT +ATOM 26000 OH2 TIP3 6564 18.923 -4.431 -13.614 1.00 0.00 WAT +ATOM 26001 H1 TIP3 6564 18.126 -4.628 -14.145 1.00 0.00 WAT +ATOM 26002 H2 TIP3 6564 18.794 -3.504 -13.389 1.00 0.00 WAT +ATOM 26003 OH2 TIP3 6565 27.631 4.124 -23.611 1.00 0.00 WAT +ATOM 26004 H1 TIP3 6565 27.423 3.915 -24.543 1.00 0.00 WAT +ATOM 26005 H2 TIP3 6565 28.581 4.326 -23.675 1.00 0.00 WAT +ATOM 26006 OH2 TIP3 6566 23.274 -2.133 -23.116 1.00 0.00 WAT +ATOM 26007 H1 TIP3 6566 22.784 -2.277 -22.287 1.00 0.00 WAT +ATOM 26008 H2 TIP3 6566 22.865 -2.816 -23.675 1.00 0.00 WAT +ATOM 26009 OH2 TIP3 6567 24.401 1.146 -18.975 1.00 0.00 WAT +ATOM 26010 H1 TIP3 6567 24.018 1.970 -19.331 1.00 0.00 WAT +ATOM 26011 H2 TIP3 6567 25.112 0.963 -19.610 1.00 0.00 WAT +ATOM 26012 OH2 TIP3 6568 25.239 0.634 -16.135 1.00 0.00 WAT +ATOM 26013 H1 TIP3 6568 24.966 1.178 -16.898 1.00 0.00 WAT +ATOM 26014 H2 TIP3 6568 25.448 -0.200 -16.595 1.00 0.00 WAT +ATOM 26015 OH2 TIP3 6569 19.712 -1.871 -24.193 1.00 0.00 WAT +ATOM 26016 H1 TIP3 6569 19.346 -2.114 -23.317 1.00 0.00 WAT +ATOM 26017 H2 TIP3 6569 18.925 -1.572 -24.661 1.00 0.00 WAT +ATOM 26018 OH2 TIP3 6570 24.672 2.378 -11.431 1.00 0.00 WAT +ATOM 26019 H1 TIP3 6570 25.158 1.682 -11.911 1.00 0.00 WAT +ATOM 26020 H2 TIP3 6570 24.585 2.036 -10.536 1.00 0.00 WAT +ATOM 26021 OH2 TIP3 6571 25.982 -2.593 -13.646 1.00 0.00 WAT +ATOM 26022 H1 TIP3 6571 25.352 -2.699 -12.902 1.00 0.00 WAT +ATOM 26023 H2 TIP3 6571 25.437 -2.937 -14.376 1.00 0.00 WAT +ATOM 26024 OH2 TIP3 6572 18.504 0.913 -22.575 1.00 0.00 WAT +ATOM 26025 H1 TIP3 6572 17.893 0.651 -23.274 1.00 0.00 WAT +ATOM 26026 H2 TIP3 6572 19.337 1.057 -23.047 1.00 0.00 WAT +ATOM 26027 OH2 TIP3 6573 28.972 12.968 -6.968 1.00 0.00 WAT +ATOM 26028 H1 TIP3 6573 29.027 13.386 -7.832 1.00 0.00 WAT +ATOM 26029 H2 TIP3 6573 29.632 13.415 -6.437 1.00 0.00 WAT +ATOM 26030 OH2 TIP3 6574 22.460 0.713 -14.732 1.00 0.00 WAT +ATOM 26031 H1 TIP3 6574 23.193 0.338 -15.231 1.00 0.00 WAT +ATOM 26032 H2 TIP3 6574 22.492 0.220 -13.900 1.00 0.00 WAT +ATOM 26033 OH2 TIP3 6575 21.617 5.702 -20.746 1.00 0.00 WAT +ATOM 26034 H1 TIP3 6575 20.934 5.070 -21.062 1.00 0.00 WAT +ATOM 26035 H2 TIP3 6575 21.563 5.568 -19.777 1.00 0.00 WAT +ATOM 26036 OH2 TIP3 6576 29.128 4.439 -11.856 1.00 0.00 WAT +ATOM 26037 H1 TIP3 6576 29.747 4.889 -12.460 1.00 0.00 WAT +ATOM 26038 H2 TIP3 6576 28.302 4.465 -12.371 1.00 0.00 WAT +ATOM 26039 OH2 TIP3 6577 25.954 -1.522 -22.995 1.00 0.00 WAT +ATOM 26040 H1 TIP3 6577 24.972 -1.589 -22.992 1.00 0.00 WAT +ATOM 26041 H2 TIP3 6577 26.135 -0.831 -22.325 1.00 0.00 WAT +ATOM 26042 OH2 TIP3 6578 26.628 0.283 -20.932 1.00 0.00 WAT +ATOM 26043 H1 TIP3 6578 27.489 0.101 -20.506 1.00 0.00 WAT +ATOM 26044 H2 TIP3 6578 26.777 1.152 -21.342 1.00 0.00 WAT +ATOM 26045 OH2 TIP3 6579 24.191 6.990 -21.849 1.00 0.00 WAT +ATOM 26046 H1 TIP3 6579 23.913 7.830 -21.437 1.00 0.00 WAT +ATOM 26047 H2 TIP3 6579 23.489 6.390 -21.550 1.00 0.00 WAT +ATOM 26048 OH2 TIP3 6580 25.843 8.350 -10.282 1.00 0.00 WAT +ATOM 26049 H1 TIP3 6580 24.889 8.328 -10.396 1.00 0.00 WAT +ATOM 26050 H2 TIP3 6580 25.949 8.331 -9.331 1.00 0.00 WAT +ATOM 26051 OH2 TIP3 6581 31.225 0.243 -21.188 1.00 0.00 WAT +ATOM 26052 H1 TIP3 6581 30.656 0.059 -21.959 1.00 0.00 WAT +ATOM 26053 H2 TIP3 6581 31.346 1.205 -21.309 1.00 0.00 WAT +ATOM 26054 OH2 TIP3 6582 29.408 8.878 -21.104 1.00 0.00 WAT +ATOM 26055 H1 TIP3 6582 29.185 8.119 -20.542 1.00 0.00 WAT +ATOM 26056 H2 TIP3 6582 29.978 8.486 -21.779 1.00 0.00 WAT +ATOM 26057 OH2 TIP3 6583 26.724 4.256 -13.670 1.00 0.00 WAT +ATOM 26058 H1 TIP3 6583 25.775 4.080 -13.815 1.00 0.00 WAT +ATOM 26059 H2 TIP3 6583 27.126 3.511 -14.151 1.00 0.00 WAT +ATOM 26060 OH2 TIP3 6584 14.913 3.137 -22.962 1.00 0.00 WAT +ATOM 26061 H1 TIP3 6584 15.613 3.648 -22.541 1.00 0.00 WAT +ATOM 26062 H2 TIP3 6584 14.107 3.549 -22.618 1.00 0.00 WAT +ATOM 26063 OH2 TIP3 6585 20.674 5.996 -18.050 1.00 0.00 WAT +ATOM 26064 H1 TIP3 6585 20.885 6.799 -17.567 1.00 0.00 WAT +ATOM 26065 H2 TIP3 6585 20.117 5.497 -17.442 1.00 0.00 WAT +ATOM 26066 OH2 TIP3 6586 21.355 10.398 -11.865 1.00 0.00 WAT +ATOM 26067 H1 TIP3 6586 22.015 11.086 -12.052 1.00 0.00 WAT +ATOM 26068 H2 TIP3 6586 21.864 9.710 -11.415 1.00 0.00 WAT +ATOM 26069 OH2 TIP3 6587 19.570 10.848 -18.476 1.00 0.00 WAT +ATOM 26070 H1 TIP3 6587 18.694 11.198 -18.214 1.00 0.00 WAT +ATOM 26071 H2 TIP3 6587 20.149 11.547 -18.115 1.00 0.00 WAT +ATOM 26072 OH2 TIP3 6588 24.769 5.919 -11.857 1.00 0.00 WAT +ATOM 26073 H1 TIP3 6588 24.530 5.653 -10.961 1.00 0.00 WAT +ATOM 26074 H2 TIP3 6588 25.444 5.261 -12.078 1.00 0.00 WAT +ATOM 26075 OH2 TIP3 6589 26.870 7.319 -23.194 1.00 0.00 WAT +ATOM 26076 H1 TIP3 6589 27.310 6.845 -22.464 1.00 0.00 WAT +ATOM 26077 H2 TIP3 6589 25.947 7.146 -22.942 1.00 0.00 WAT +ATOM 26078 OH2 TIP3 6590 31.623 11.554 -22.671 1.00 0.00 WAT +ATOM 26079 H1 TIP3 6590 32.322 12.198 -22.879 1.00 0.00 WAT +ATOM 26080 H2 TIP3 6590 30.855 12.153 -22.663 1.00 0.00 WAT +ATOM 26081 OH2 TIP3 6591 27.841 5.925 -20.808 1.00 0.00 WAT +ATOM 26082 H1 TIP3 6591 27.565 5.187 -20.235 1.00 0.00 WAT +ATOM 26083 H2 TIP3 6591 28.810 5.882 -20.724 1.00 0.00 WAT +ATOM 26084 OH2 TIP3 6592 21.123 8.348 -24.624 1.00 0.00 WAT +ATOM 26085 H1 TIP3 6592 21.431 7.612 -25.188 1.00 0.00 WAT +ATOM 26086 H2 TIP3 6592 20.687 7.851 -23.925 1.00 0.00 WAT +ATOM 26087 OH2 TIP3 6593 19.816 7.901 -21.343 1.00 0.00 WAT +ATOM 26088 H1 TIP3 6593 20.548 7.251 -21.337 1.00 0.00 WAT +ATOM 26089 H2 TIP3 6593 20.271 8.735 -21.585 1.00 0.00 WAT +ATOM 26090 OH2 TIP3 6594 16.965 5.387 -21.016 1.00 0.00 WAT +ATOM 26091 H1 TIP3 6594 16.028 5.581 -20.851 1.00 0.00 WAT +ATOM 26092 H2 TIP3 6594 17.173 5.909 -21.797 1.00 0.00 WAT +ATOM 26093 OH2 TIP3 6595 24.368 -2.438 -11.389 1.00 0.00 WAT +ATOM 26094 H1 TIP3 6595 24.974 -2.171 -10.691 1.00 0.00 WAT +ATOM 26095 H2 TIP3 6595 24.037 -3.287 -11.043 1.00 0.00 WAT +ATOM 26096 OH2 TIP3 6596 25.097 -2.756 -20.204 1.00 0.00 WAT +ATOM 26097 H1 TIP3 6596 25.298 -2.227 -20.988 1.00 0.00 WAT +ATOM 26098 H2 TIP3 6596 25.561 -2.270 -19.499 1.00 0.00 WAT +ATOM 26099 OH2 TIP3 6597 22.802 9.443 -21.328 1.00 0.00 WAT +ATOM 26100 H1 TIP3 6597 22.110 10.082 -21.101 1.00 0.00 WAT +ATOM 26101 H2 TIP3 6597 23.308 9.934 -21.992 1.00 0.00 WAT +ATOM 26102 OH2 TIP3 6598 22.241 -0.880 -19.266 1.00 0.00 WAT +ATOM 26103 H1 TIP3 6598 22.979 -0.256 -19.160 1.00 0.00 WAT +ATOM 26104 H2 TIP3 6598 21.794 -0.843 -18.411 1.00 0.00 WAT +ATOM 26105 OH2 TIP3 6599 23.052 -3.717 -18.331 1.00 0.00 WAT +ATOM 26106 H1 TIP3 6599 23.036 -3.120 -17.566 1.00 0.00 WAT +ATOM 26107 H2 TIP3 6599 23.762 -3.315 -18.869 1.00 0.00 WAT +ATOM 26108 OH2 TIP3 6600 20.066 10.613 -21.215 1.00 0.00 WAT +ATOM 26109 H1 TIP3 6600 20.035 11.380 -21.827 1.00 0.00 WAT +ATOM 26110 H2 TIP3 6600 20.007 11.056 -20.351 1.00 0.00 WAT +ATOM 26111 OH2 TIP3 6601 18.730 -2.541 -21.632 1.00 0.00 WAT +ATOM 26112 H1 TIP3 6601 18.727 -1.725 -21.110 1.00 0.00 WAT +ATOM 26113 H2 TIP3 6601 19.475 -3.024 -21.231 1.00 0.00 WAT +ATOM 26114 OH2 TIP3 6602 29.002 -1.847 -9.174 1.00 0.00 WAT +ATOM 26115 H1 TIP3 6602 28.088 -1.529 -9.177 1.00 0.00 WAT +ATOM 26116 H2 TIP3 6602 29.075 -2.205 -10.075 1.00 0.00 WAT +ATOM 26117 OH2 TIP3 6603 27.662 1.954 -15.265 1.00 0.00 WAT +ATOM 26118 H1 TIP3 6603 26.809 1.525 -15.462 1.00 0.00 WAT +ATOM 26119 H2 TIP3 6603 28.125 1.259 -14.746 1.00 0.00 WAT +ATOM 26120 OH2 TIP3 6604 17.220 8.069 -22.755 1.00 0.00 WAT +ATOM 26121 H1 TIP3 6604 17.967 8.556 -22.378 1.00 0.00 WAT +ATOM 26122 H2 TIP3 6604 17.686 7.516 -23.402 1.00 0.00 WAT +ATOM 26123 OH2 TIP3 6605 15.430 0.301 -23.748 1.00 0.00 WAT +ATOM 26124 H1 TIP3 6605 15.490 1.000 -23.082 1.00 0.00 WAT +ATOM 26125 H2 TIP3 6605 14.500 0.070 -23.734 1.00 0.00 WAT +ATOM 26126 OH2 TIP3 6606 28.713 10.832 -13.843 1.00 0.00 WAT +ATOM 26127 H1 TIP3 6606 28.518 11.663 -14.315 1.00 0.00 WAT +ATOM 26128 H2 TIP3 6606 29.631 10.995 -13.574 1.00 0.00 WAT +ATOM 26129 OH2 TIP3 6607 16.214 -5.179 -14.987 1.00 0.00 WAT +ATOM 26130 H1 TIP3 6607 15.913 -5.128 -15.911 1.00 0.00 WAT +ATOM 26131 H2 TIP3 6607 15.704 -5.925 -14.632 1.00 0.00 WAT +ATOM 26132 OH2 TIP3 6608 23.350 10.056 -24.151 1.00 0.00 WAT +ATOM 26133 H1 TIP3 6608 22.607 9.423 -24.242 1.00 0.00 WAT +ATOM 26134 H2 TIP3 6608 24.076 9.517 -24.507 1.00 0.00 WAT +ATOM 26135 OH2 TIP3 6609 27.975 9.965 -24.028 1.00 0.00 WAT +ATOM 26136 H1 TIP3 6609 28.108 9.158 -23.502 1.00 0.00 WAT +ATOM 26137 H2 TIP3 6609 28.778 9.978 -24.578 1.00 0.00 WAT +ATOM 26138 OH2 TIP3 6610 18.782 5.790 -24.189 1.00 0.00 WAT +ATOM 26139 H1 TIP3 6610 18.945 5.079 -23.545 1.00 0.00 WAT +ATOM 26140 H2 TIP3 6610 19.581 5.709 -24.747 1.00 0.00 WAT +ATOM 26141 OH2 TIP3 6611 23.972 7.105 -24.674 1.00 0.00 WAT +ATOM 26142 H1 TIP3 6611 23.990 7.049 -23.702 1.00 0.00 WAT +ATOM 26143 H2 TIP3 6611 23.957 6.149 -24.895 1.00 0.00 WAT +ATOM 26144 OH2 TIP3 6612 19.808 3.778 -21.841 1.00 0.00 WAT +ATOM 26145 H1 TIP3 6612 19.177 3.228 -21.349 1.00 0.00 WAT +ATOM 26146 H2 TIP3 6612 20.109 3.124 -22.508 1.00 0.00 WAT +ATOM 26147 OH2 TIP3 6613 20.866 1.987 -23.726 1.00 0.00 WAT +ATOM 26148 H1 TIP3 6613 20.818 1.996 -24.697 1.00 0.00 WAT +ATOM 26149 H2 TIP3 6613 21.820 1.870 -23.566 1.00 0.00 WAT +ATOM 26150 OH2 TIP3 6614 30.320 4.404 -24.372 1.00 0.00 WAT +ATOM 26151 H1 TIP3 6614 30.227 3.960 -25.228 1.00 0.00 WAT +ATOM 26152 H2 TIP3 6614 30.213 5.343 -24.635 1.00 0.00 WAT +ATOM 26153 OH2 TIP3 6615 20.587 13.062 -22.604 1.00 0.00 WAT +ATOM 26154 H1 TIP3 6615 21.533 13.227 -22.480 1.00 0.00 WAT +ATOM 26155 H2 TIP3 6615 20.422 13.565 -23.413 1.00 0.00 WAT +ATOM 26156 OH2 TIP3 6616 14.444 7.481 -23.060 1.00 0.00 WAT +ATOM 26157 H1 TIP3 6616 15.387 7.686 -22.884 1.00 0.00 WAT +ATOM 26158 H2 TIP3 6616 14.504 6.707 -23.654 1.00 0.00 WAT +ATOM 26159 OH2 TIP3 6617 13.495 12.594 -17.984 1.00 0.00 WAT +ATOM 26160 H1 TIP3 6617 12.864 12.302 -18.671 1.00 0.00 WAT +ATOM 26161 H2 TIP3 6617 13.411 11.907 -17.319 1.00 0.00 WAT +ATOM 26162 OH2 TIP3 6618 31.445 11.896 -13.316 1.00 0.00 WAT +ATOM 26163 H1 TIP3 6618 31.525 12.015 -12.356 1.00 0.00 WAT +ATOM 26164 H2 TIP3 6618 32.245 12.330 -13.638 1.00 0.00 WAT +ATOM 26165 OH2 TIP3 6619 31.391 11.316 -10.451 1.00 0.00 WAT +ATOM 26166 H1 TIP3 6619 30.702 10.665 -10.690 1.00 0.00 WAT +ATOM 26167 H2 TIP3 6619 31.788 10.939 -9.661 1.00 0.00 WAT +ATOM 26168 OH2 TIP3 6620 30.709 5.776 -20.430 1.00 0.00 WAT +ATOM 26169 H1 TIP3 6620 31.621 6.076 -20.258 1.00 0.00 WAT +ATOM 26170 H2 TIP3 6620 30.610 5.127 -19.709 1.00 0.00 WAT +ATOM 26171 OH2 TIP3 6621 31.166 3.731 -18.459 1.00 0.00 WAT +ATOM 26172 H1 TIP3 6621 30.491 3.172 -18.026 1.00 0.00 WAT +ATOM 26173 H2 TIP3 6621 31.843 3.839 -17.762 1.00 0.00 WAT +ATOM 26174 OH2 TIP3 6622 30.952 6.320 -13.334 1.00 0.00 WAT +ATOM 26175 H1 TIP3 6622 31.535 5.662 -13.748 1.00 0.00 WAT +ATOM 26176 H2 TIP3 6622 31.149 7.128 -13.831 1.00 0.00 WAT +ATOM 26177 OH2 TIP3 6623 29.402 9.207 -11.071 1.00 0.00 WAT +ATOM 26178 H1 TIP3 6623 28.567 9.542 -10.713 1.00 0.00 WAT +ATOM 26179 H2 TIP3 6623 29.082 8.811 -11.909 1.00 0.00 WAT +ATOM 26180 OH2 TIP3 6624 31.442 3.176 -21.892 1.00 0.00 WAT +ATOM 26181 H1 TIP3 6624 30.915 3.465 -22.659 1.00 0.00 WAT +ATOM 26182 H2 TIP3 6624 31.296 3.908 -21.274 1.00 0.00 WAT +ATOM 26183 OH2 TIP3 6625 29.671 0.751 -23.629 1.00 0.00 WAT +ATOM 26184 H1 TIP3 6625 29.964 1.312 -24.358 1.00 0.00 WAT +ATOM 26185 H2 TIP3 6625 29.452 -0.088 -24.081 1.00 0.00 WAT +ATOM 26186 OH2 TIP3 6626 29.080 1.865 -17.656 1.00 0.00 WAT +ATOM 26187 H1 TIP3 6626 29.030 0.905 -17.793 1.00 0.00 WAT +ATOM 26188 H2 TIP3 6626 28.703 1.957 -16.755 1.00 0.00 WAT +ATOM 26189 OH2 TIP3 6627 29.168 -1.914 -24.414 1.00 0.00 WAT +ATOM 26190 H1 TIP3 6627 29.753 -2.416 -23.816 1.00 0.00 WAT +ATOM 26191 H2 TIP3 6627 28.360 -2.448 -24.446 1.00 0.00 WAT +ATOM 26192 OH2 TIP3 6628 28.967 -0.647 -19.478 1.00 0.00 WAT +ATOM 26193 H1 TIP3 6628 29.199 -1.598 -19.402 1.00 0.00 WAT +ATOM 26194 H2 TIP3 6628 29.787 -0.300 -19.871 1.00 0.00 WAT +ATOM 26195 OH2 TIP3 6629 29.166 0.030 -13.955 1.00 0.00 WAT +ATOM 26196 H1 TIP3 6629 30.138 0.114 -13.954 1.00 0.00 WAT +ATOM 26197 H2 TIP3 6629 28.995 0.060 -13.000 1.00 0.00 WAT +ATOM 26198 OH2 TIP3 6630 29.300 1.111 -11.170 1.00 0.00 WAT +ATOM 26199 H1 TIP3 6630 28.446 1.250 -10.740 1.00 0.00 WAT +ATOM 26200 H2 TIP3 6630 29.529 2.004 -11.463 1.00 0.00 WAT +ATOM 26201 OH2 TIP3 6631 29.443 -3.447 -19.495 1.00 0.00 WAT +ATOM 26202 H1 TIP3 6631 29.567 -3.783 -18.586 1.00 0.00 WAT +ATOM 26203 H2 TIP3 6631 28.642 -3.937 -19.769 1.00 0.00 WAT +ATOM 26204 OH2 TIP3 6632 31.408 -2.935 -22.851 1.00 0.00 WAT +ATOM 26205 H1 TIP3 6632 31.734 -3.757 -23.256 1.00 0.00 WAT +ATOM 26206 H2 TIP3 6632 32.231 -2.436 -22.719 1.00 0.00 WAT +ATOM 26207 OH2 TIP3 6633 28.267 12.054 -17.554 1.00 0.00 WAT +ATOM 26208 H1 TIP3 6633 28.774 11.775 -18.335 1.00 0.00 WAT +ATOM 26209 H2 TIP3 6633 28.960 12.420 -16.990 1.00 0.00 WAT +ATOM 26210 OH2 TIP3 6634 18.707 9.806 -10.463 1.00 0.00 WAT +ATOM 26211 H1 TIP3 6634 19.252 9.034 -10.276 1.00 0.00 WAT +ATOM 26212 H2 TIP3 6634 19.322 10.429 -10.879 1.00 0.00 WAT +ATOM 26213 OH2 TIP3 6635 30.199 -4.870 -9.687 1.00 0.00 WAT +ATOM 26214 H1 TIP3 6635 29.352 -4.669 -10.112 1.00 0.00 WAT +ATOM 26215 H2 TIP3 6635 30.332 -5.784 -9.996 1.00 0.00 WAT +ATOM 26216 OH2 TIP3 6636 16.147 13.280 -10.474 1.00 0.00 WAT +ATOM 26217 H1 TIP3 6636 15.411 13.471 -11.079 1.00 0.00 WAT +ATOM 26218 H2 TIP3 6636 15.796 12.620 -9.860 1.00 0.00 WAT +ATOM 26219 OH2 TIP3 6637 18.765 12.472 -12.154 1.00 0.00 WAT +ATOM 26220 H1 TIP3 6637 18.097 12.640 -11.473 1.00 0.00 WAT +ATOM 26221 H2 TIP3 6637 18.659 13.234 -12.738 1.00 0.00 WAT +ATOM 26222 OH2 TIP3 6638 23.169 12.578 -12.684 1.00 0.00 WAT +ATOM 26223 H1 TIP3 6638 22.777 13.045 -13.443 1.00 0.00 WAT +ATOM 26224 H2 TIP3 6638 23.306 13.306 -12.048 1.00 0.00 WAT +ATOM 26225 OH2 TIP3 6639 25.474 11.134 -11.946 1.00 0.00 WAT +ATOM 26226 H1 TIP3 6639 24.640 11.602 -12.112 1.00 0.00 WAT +ATOM 26227 H2 TIP3 6639 26.024 11.807 -11.527 1.00 0.00 WAT +ATOM 26228 OH2 TIP3 6640 28.234 12.826 -11.422 1.00 0.00 WAT +ATOM 26229 H1 TIP3 6640 27.996 13.720 -11.709 1.00 0.00 WAT +ATOM 26230 H2 TIP3 6640 28.229 12.328 -12.252 1.00 0.00 WAT +ATOM 26231 OH2 TIP3 6641 17.726 10.281 -15.518 1.00 0.00 WAT +ATOM 26232 H1 TIP3 6641 17.482 9.517 -14.985 1.00 0.00 WAT +ATOM 26233 H2 TIP3 6641 18.544 10.572 -15.063 1.00 0.00 WAT +ATOM 26234 OH2 TIP3 6642 20.369 10.710 -14.586 1.00 0.00 WAT +ATOM 26235 H1 TIP3 6642 20.496 9.762 -14.779 1.00 0.00 WAT +ATOM 26236 H2 TIP3 6642 20.471 10.713 -13.613 1.00 0.00 WAT +ATOM 26237 OH2 TIP3 6643 23.586 -3.310 -15.329 1.00 0.00 WAT +ATOM 26238 H1 TIP3 6643 22.858 -3.925 -15.120 1.00 0.00 WAT +ATOM 26239 H2 TIP3 6643 24.197 -3.876 -15.826 1.00 0.00 WAT +ATOM 26240 OH2 TIP3 6644 28.563 -5.261 -14.743 1.00 0.00 WAT +ATOM 26241 H1 TIP3 6644 29.338 -4.938 -15.226 1.00 0.00 WAT +ATOM 26242 H2 TIP3 6644 27.823 -5.115 -15.350 1.00 0.00 WAT +ATOM 26243 OH2 TIP3 6645 30.605 -4.272 -16.939 1.00 0.00 WAT +ATOM 26244 H1 TIP3 6645 31.342 -4.718 -17.392 1.00 0.00 WAT +ATOM 26245 H2 TIP3 6645 30.954 -3.373 -16.801 1.00 0.00 WAT +ATOM 26246 OH2 TIP3 6646 15.834 -4.799 -17.750 1.00 0.00 WAT +ATOM 26247 H1 TIP3 6646 15.119 -5.053 -18.341 1.00 0.00 WAT +ATOM 26248 H2 TIP3 6646 16.554 -5.382 -18.035 1.00 0.00 WAT +ATOM 26249 OH2 TIP3 6647 14.595 -5.021 -21.617 1.00 0.00 WAT +ATOM 26250 H1 TIP3 6647 15.198 -4.558 -22.228 1.00 0.00 WAT +ATOM 26251 H2 TIP3 6647 14.230 -4.273 -21.132 1.00 0.00 WAT +ATOM 26252 OH2 TIP3 6648 20.452 -4.985 -17.755 1.00 0.00 WAT +ATOM 26253 H1 TIP3 6648 21.307 -4.557 -17.920 1.00 0.00 WAT +ATOM 26254 H2 TIP3 6648 20.437 -5.000 -16.789 1.00 0.00 WAT +ATOM 26255 OH2 TIP3 6649 25.966 -4.804 -16.403 1.00 0.00 WAT +ATOM 26256 H1 TIP3 6649 26.281 -5.049 -17.283 1.00 0.00 WAT +ATOM 26257 H2 TIP3 6649 25.616 -5.654 -16.075 1.00 0.00 WAT +ATOM 26258 OH2 TIP3 6650 27.105 -4.848 -20.459 1.00 0.00 WAT +ATOM 26259 H1 TIP3 6650 26.271 -4.349 -20.550 1.00 0.00 WAT +ATOM 26260 H2 TIP3 6650 26.767 -5.731 -20.228 1.00 0.00 WAT +ATOM 26261 OH2 TIP3 6651 14.817 10.568 -20.483 1.00 0.00 WAT +ATOM 26262 H1 TIP3 6651 14.222 10.501 -21.246 1.00 0.00 WAT +ATOM 26263 H2 TIP3 6651 14.933 11.524 -20.436 1.00 0.00 WAT +ATOM 26264 OH2 TIP3 6652 16.520 -3.368 -23.242 1.00 0.00 WAT +ATOM 26265 H1 TIP3 6652 17.165 -3.894 -23.740 1.00 0.00 WAT +ATOM 26266 H2 TIP3 6652 17.088 -2.994 -22.536 1.00 0.00 WAT +ATOM 26267 OH2 TIP3 6653 21.651 -3.136 -20.812 1.00 0.00 WAT +ATOM 26268 H1 TIP3 6653 21.877 -3.741 -20.090 1.00 0.00 WAT +ATOM 26269 H2 TIP3 6653 21.725 -2.284 -20.338 1.00 0.00 WAT +ATOM 26270 OH2 TIP3 6654 23.621 12.569 -22.506 1.00 0.00 WAT +ATOM 26271 H1 TIP3 6654 24.596 12.586 -22.556 1.00 0.00 WAT +ATOM 26272 H2 TIP3 6654 23.425 11.926 -23.208 1.00 0.00 WAT +ATOM 26273 OH2 TIP3 6655 30.123 11.597 -19.933 1.00 0.00 WAT +ATOM 26274 H1 TIP3 6655 29.891 10.746 -20.359 1.00 0.00 WAT +ATOM 26275 H2 TIP3 6655 30.094 12.202 -20.690 1.00 0.00 WAT +ATOM 26276 OH2 TIP3 6656 16.375 11.701 -23.831 1.00 0.00 WAT +ATOM 26277 H1 TIP3 6656 16.144 11.996 -22.939 1.00 0.00 WAT +ATOM 26278 H2 TIP3 6656 17.155 11.141 -23.683 1.00 0.00 WAT +ATOM 26279 OH2 TIP3 6657 42.074 3.265 -14.292 1.00 0.00 WAT +ATOM 26280 H1 TIP3 6657 42.877 3.384 -13.753 1.00 0.00 WAT +ATOM 26281 H2 TIP3 6657 42.438 3.053 -15.159 1.00 0.00 WAT +ATOM 26282 OH2 TIP3 6658 35.152 3.108 -12.600 1.00 0.00 WAT +ATOM 26283 H1 TIP3 6658 35.187 2.308 -12.041 1.00 0.00 WAT +ATOM 26284 H2 TIP3 6658 35.955 3.575 -12.333 1.00 0.00 WAT +ATOM 26285 OH2 TIP3 6659 35.833 7.732 -14.088 1.00 0.00 WAT +ATOM 26286 H1 TIP3 6659 35.580 6.821 -14.366 1.00 0.00 WAT +ATOM 26287 H2 TIP3 6659 36.790 7.594 -13.991 1.00 0.00 WAT +ATOM 26288 OH2 TIP3 6660 32.812 1.149 -18.818 1.00 0.00 WAT +ATOM 26289 H1 TIP3 6660 32.364 2.001 -18.701 1.00 0.00 WAT +ATOM 26290 H2 TIP3 6660 32.094 0.595 -19.146 1.00 0.00 WAT +ATOM 26291 OH2 TIP3 6661 33.571 3.584 -16.874 1.00 0.00 WAT +ATOM 26292 H1 TIP3 6661 33.713 2.750 -16.384 1.00 0.00 WAT +ATOM 26293 H2 TIP3 6661 34.394 3.648 -17.375 1.00 0.00 WAT +ATOM 26294 OH2 TIP3 6662 41.173 6.000 -13.668 1.00 0.00 WAT +ATOM 26295 H1 TIP3 6662 41.423 5.214 -14.191 1.00 0.00 WAT +ATOM 26296 H2 TIP3 6662 42.004 6.178 -13.210 1.00 0.00 WAT +ATOM 26297 OH2 TIP3 6663 37.442 -1.649 -16.182 1.00 0.00 WAT +ATOM 26298 H1 TIP3 6663 37.582 -0.797 -16.639 1.00 0.00 WAT +ATOM 26299 H2 TIP3 6663 37.091 -2.184 -16.917 1.00 0.00 WAT +ATOM 26300 OH2 TIP3 6664 34.124 1.094 -15.673 1.00 0.00 WAT +ATOM 26301 H1 TIP3 6664 34.718 0.582 -15.098 1.00 0.00 WAT +ATOM 26302 H2 TIP3 6664 34.178 0.583 -16.499 1.00 0.00 WAT +ATOM 26303 OH2 TIP3 6665 39.502 2.428 -16.192 1.00 0.00 WAT +ATOM 26304 H1 TIP3 6665 40.264 1.909 -15.853 1.00 0.00 WAT +ATOM 26305 H2 TIP3 6665 39.022 1.736 -16.680 1.00 0.00 WAT +ATOM 26306 OH2 TIP3 6666 36.249 -2.839 -12.005 1.00 0.00 WAT +ATOM 26307 H1 TIP3 6666 35.809 -2.385 -12.737 1.00 0.00 WAT +ATOM 26308 H2 TIP3 6666 35.566 -2.757 -11.308 1.00 0.00 WAT +ATOM 26309 OH2 TIP3 6667 39.083 5.081 -11.828 1.00 0.00 WAT +ATOM 26310 H1 TIP3 6667 38.298 5.644 -11.776 1.00 0.00 WAT +ATOM 26311 H2 TIP3 6667 39.751 5.651 -12.247 1.00 0.00 WAT +ATOM 26312 OH2 TIP3 6668 35.831 -0.796 -14.110 1.00 0.00 WAT +ATOM 26313 H1 TIP3 6668 36.495 -0.252 -13.637 1.00 0.00 WAT +ATOM 26314 H2 TIP3 6668 36.406 -1.196 -14.800 1.00 0.00 WAT +ATOM 26315 OH2 TIP3 6669 36.569 6.823 -11.002 1.00 0.00 WAT +ATOM 26316 H1 TIP3 6669 36.817 7.702 -11.326 1.00 0.00 WAT +ATOM 26317 H2 TIP3 6669 36.152 6.997 -10.155 1.00 0.00 WAT +ATOM 26318 OH2 TIP3 6670 33.476 6.599 -20.302 1.00 0.00 WAT +ATOM 26319 H1 TIP3 6670 33.263 7.101 -21.106 1.00 0.00 WAT +ATOM 26320 H2 TIP3 6670 33.636 7.293 -19.630 1.00 0.00 WAT +ATOM 26321 OH2 TIP3 6671 40.443 -5.404 -14.871 1.00 0.00 WAT +ATOM 26322 H1 TIP3 6671 40.158 -6.337 -14.905 1.00 0.00 WAT +ATOM 26323 H2 TIP3 6671 39.635 -4.974 -14.518 1.00 0.00 WAT +ATOM 26324 OH2 TIP3 6672 42.694 3.459 -20.238 1.00 0.00 WAT +ATOM 26325 H1 TIP3 6672 41.995 4.124 -20.375 1.00 0.00 WAT +ATOM 26326 H2 TIP3 6672 43.278 3.640 -20.973 1.00 0.00 WAT +ATOM 26327 OH2 TIP3 6673 42.911 1.941 -23.084 1.00 0.00 WAT +ATOM 26328 H1 TIP3 6673 43.613 1.842 -22.421 1.00 0.00 WAT +ATOM 26329 H2 TIP3 6673 42.935 1.106 -23.560 1.00 0.00 WAT +ATOM 26330 OH2 TIP3 6674 37.593 4.331 -17.307 1.00 0.00 WAT +ATOM 26331 H1 TIP3 6674 37.277 3.870 -18.108 1.00 0.00 WAT +ATOM 26332 H2 TIP3 6674 38.217 3.678 -16.937 1.00 0.00 WAT +ATOM 26333 OH2 TIP3 6675 38.954 7.679 -14.524 1.00 0.00 WAT +ATOM 26334 H1 TIP3 6675 38.877 7.303 -15.412 1.00 0.00 WAT +ATOM 26335 H2 TIP3 6675 39.772 7.247 -14.206 1.00 0.00 WAT +ATOM 26336 OH2 TIP3 6676 38.161 3.210 -13.815 1.00 0.00 WAT +ATOM 26337 H1 TIP3 6676 38.763 3.128 -14.584 1.00 0.00 WAT +ATOM 26338 H2 TIP3 6676 38.661 3.796 -13.222 1.00 0.00 WAT +ATOM 26339 OH2 TIP3 6677 39.052 7.552 -9.007 1.00 0.00 WAT +ATOM 26340 H1 TIP3 6677 38.536 8.145 -8.436 1.00 0.00 WAT +ATOM 26341 H2 TIP3 6677 38.397 7.236 -9.642 1.00 0.00 WAT +ATOM 26342 OH2 TIP3 6678 35.787 3.746 -9.662 1.00 0.00 WAT +ATOM 26343 H1 TIP3 6678 35.756 4.441 -8.989 1.00 0.00 WAT +ATOM 26344 H2 TIP3 6678 34.902 3.770 -10.043 1.00 0.00 WAT +ATOM 26345 OH2 TIP3 6679 42.510 9.580 -18.131 1.00 0.00 WAT +ATOM 26346 H1 TIP3 6679 42.993 10.046 -17.428 1.00 0.00 WAT +ATOM 26347 H2 TIP3 6679 41.992 10.293 -18.526 1.00 0.00 WAT +ATOM 26348 OH2 TIP3 6680 36.936 9.503 -8.156 1.00 0.00 WAT +ATOM 26349 H1 TIP3 6680 36.958 9.706 -9.106 1.00 0.00 WAT +ATOM 26350 H2 TIP3 6680 35.997 9.485 -7.945 1.00 0.00 WAT +ATOM 26351 OH2 TIP3 6681 36.503 3.088 -19.768 1.00 0.00 WAT +ATOM 26352 H1 TIP3 6681 36.278 3.832 -20.350 1.00 0.00 WAT +ATOM 26353 H2 TIP3 6681 35.854 2.420 -20.028 1.00 0.00 WAT +ATOM 26354 OH2 TIP3 6682 32.610 8.672 -14.160 1.00 0.00 WAT +ATOM 26355 H1 TIP3 6682 33.538 8.404 -14.096 1.00 0.00 WAT +ATOM 26356 H2 TIP3 6682 32.509 9.365 -13.498 1.00 0.00 WAT +ATOM 26357 OH2 TIP3 6683 41.715 8.555 -9.546 1.00 0.00 WAT +ATOM 26358 H1 TIP3 6683 41.816 9.390 -9.070 1.00 0.00 WAT +ATOM 26359 H2 TIP3 6683 40.846 8.224 -9.252 1.00 0.00 WAT +ATOM 26360 OH2 TIP3 6684 41.803 12.345 -19.596 1.00 0.00 WAT +ATOM 26361 H1 TIP3 6684 42.058 12.383 -20.529 1.00 0.00 WAT +ATOM 26362 H2 TIP3 6684 42.080 13.198 -19.240 1.00 0.00 WAT +ATOM 26363 OH2 TIP3 6685 35.725 11.488 -17.933 1.00 0.00 WAT +ATOM 26364 H1 TIP3 6685 35.887 11.024 -17.088 1.00 0.00 WAT +ATOM 26365 H2 TIP3 6685 34.914 11.054 -18.233 1.00 0.00 WAT +ATOM 26366 OH2 TIP3 6686 37.972 -4.214 -14.049 1.00 0.00 WAT +ATOM 26367 H1 TIP3 6686 37.144 -4.312 -14.552 1.00 0.00 WAT +ATOM 26368 H2 TIP3 6686 37.719 -3.502 -13.442 1.00 0.00 WAT +ATOM 26369 OH2 TIP3 6687 42.323 -4.873 -9.767 1.00 0.00 WAT +ATOM 26370 H1 TIP3 6687 42.440 -5.608 -9.148 1.00 0.00 WAT +ATOM 26371 H2 TIP3 6687 41.410 -5.040 -10.081 1.00 0.00 WAT +ATOM 26372 OH2 TIP3 6688 42.278 -2.037 -23.145 1.00 0.00 WAT +ATOM 26373 H1 TIP3 6688 41.789 -2.184 -22.321 1.00 0.00 WAT +ATOM 26374 H2 TIP3 6688 41.965 -2.800 -23.654 1.00 0.00 WAT +ATOM 26375 OH2 TIP3 6689 37.798 0.570 -12.629 1.00 0.00 WAT +ATOM 26376 H1 TIP3 6689 37.186 0.645 -11.879 1.00 0.00 WAT +ATOM 26377 H2 TIP3 6689 37.852 1.485 -12.972 1.00 0.00 WAT +ATOM 26378 OH2 TIP3 6690 37.737 0.653 -17.745 1.00 0.00 WAT +ATOM 26379 H1 TIP3 6690 36.780 0.529 -17.896 1.00 0.00 WAT +ATOM 26380 H2 TIP3 6690 38.089 0.434 -18.628 1.00 0.00 WAT +ATOM 26381 OH2 TIP3 6691 42.809 1.154 -18.270 1.00 0.00 WAT +ATOM 26382 H1 TIP3 6691 42.670 2.093 -18.482 1.00 0.00 WAT +ATOM 26383 H2 TIP3 6691 43.714 1.127 -17.938 1.00 0.00 WAT +ATOM 26384 OH2 TIP3 6692 42.492 1.452 -7.437 1.00 0.00 WAT +ATOM 26385 H1 TIP3 6692 41.951 0.647 -7.277 1.00 0.00 WAT +ATOM 26386 H2 TIP3 6692 43.377 1.040 -7.432 1.00 0.00 WAT +ATOM 26387 OH2 TIP3 6693 35.208 0.719 -10.803 1.00 0.00 WAT +ATOM 26388 H1 TIP3 6693 35.425 0.976 -9.899 1.00 0.00 WAT +ATOM 26389 H2 TIP3 6693 34.803 -0.157 -10.654 1.00 0.00 WAT +ATOM 26390 OH2 TIP3 6694 38.630 -1.629 -24.221 1.00 0.00 WAT +ATOM 26391 H1 TIP3 6694 38.254 -1.989 -23.391 1.00 0.00 WAT +ATOM 26392 H2 TIP3 6694 37.847 -1.549 -24.779 1.00 0.00 WAT +ATOM 26393 OH2 TIP3 6695 32.037 -1.740 -17.187 1.00 0.00 WAT +ATOM 26394 H1 TIP3 6695 32.597 -1.821 -16.393 1.00 0.00 WAT +ATOM 26395 H2 TIP3 6695 32.520 -2.238 -17.863 1.00 0.00 WAT +ATOM 26396 OH2 TIP3 6696 33.582 -1.382 -21.455 1.00 0.00 WAT +ATOM 26397 H1 TIP3 6696 34.140 -0.891 -22.090 1.00 0.00 WAT +ATOM 26398 H2 TIP3 6696 32.897 -0.722 -21.250 1.00 0.00 WAT +ATOM 26399 OH2 TIP3 6697 43.439 2.019 -11.381 1.00 0.00 WAT +ATOM 26400 H1 TIP3 6697 43.765 1.364 -12.035 1.00 0.00 WAT +ATOM 26401 H2 TIP3 6697 42.711 1.508 -10.993 1.00 0.00 WAT +ATOM 26402 OH2 TIP3 6698 40.486 -1.916 -16.712 1.00 0.00 WAT +ATOM 26403 H1 TIP3 6698 39.545 -1.897 -16.472 1.00 0.00 WAT +ATOM 26404 H2 TIP3 6698 40.895 -1.820 -15.838 1.00 0.00 WAT +ATOM 26405 OH2 TIP3 6699 35.109 -0.526 -18.055 1.00 0.00 WAT +ATOM 26406 H1 TIP3 6699 34.272 -0.288 -18.491 1.00 0.00 WAT +ATOM 26407 H2 TIP3 6699 35.380 -1.342 -18.518 1.00 0.00 WAT +ATOM 26408 OH2 TIP3 6700 38.726 -0.228 -20.371 1.00 0.00 WAT +ATOM 26409 H1 TIP3 6700 39.688 -0.111 -20.292 1.00 0.00 WAT +ATOM 26410 H2 TIP3 6700 38.464 0.403 -21.061 1.00 0.00 WAT +ATOM 26411 OH2 TIP3 6701 37.201 1.072 -22.593 1.00 0.00 WAT +ATOM 26412 H1 TIP3 6701 36.597 0.752 -23.282 1.00 0.00 WAT +ATOM 26413 H2 TIP3 6701 38.028 1.162 -23.091 1.00 0.00 WAT +ATOM 26414 OH2 TIP3 6702 35.302 5.978 -7.589 1.00 0.00 WAT +ATOM 26415 H1 TIP3 6702 36.172 5.984 -7.136 1.00 0.00 WAT +ATOM 26416 H2 TIP3 6702 34.749 5.795 -6.823 1.00 0.00 WAT +ATOM 26417 OH2 TIP3 6703 41.410 0.454 -15.273 1.00 0.00 WAT +ATOM 26418 H1 TIP3 6703 42.147 0.043 -15.741 1.00 0.00 WAT +ATOM 26419 H2 TIP3 6703 41.610 0.238 -14.346 1.00 0.00 WAT +ATOM 26420 OH2 TIP3 6704 36.831 -2.819 -18.764 1.00 0.00 WAT +ATOM 26421 H1 TIP3 6704 36.264 -3.584 -18.564 1.00 0.00 WAT +ATOM 26422 H2 TIP3 6704 37.658 -3.243 -19.031 1.00 0.00 WAT +ATOM 26423 OH2 TIP3 6705 40.511 -0.869 -12.614 1.00 0.00 WAT +ATOM 26424 H1 TIP3 6705 39.792 -0.227 -12.737 1.00 0.00 WAT +ATOM 26425 H2 TIP3 6705 41.012 -0.473 -11.878 1.00 0.00 WAT +ATOM 26426 OH2 TIP3 6706 40.729 5.471 -20.713 1.00 0.00 WAT +ATOM 26427 H1 TIP3 6706 39.947 4.998 -21.068 1.00 0.00 WAT +ATOM 26428 H2 TIP3 6706 40.500 5.571 -19.758 1.00 0.00 WAT +ATOM 26429 OH2 TIP3 6707 41.917 5.480 -9.504 1.00 0.00 WAT +ATOM 26430 H1 TIP3 6707 41.937 5.322 -8.556 1.00 0.00 WAT +ATOM 26431 H2 TIP3 6707 42.169 6.412 -9.593 1.00 0.00 WAT +ATOM 26432 OH2 TIP3 6708 35.804 5.062 -14.893 1.00 0.00 WAT +ATOM 26433 H1 TIP3 6708 36.333 4.892 -15.690 1.00 0.00 WAT +ATOM 26434 H2 TIP3 6708 35.815 4.191 -14.465 1.00 0.00 WAT +ATOM 26435 OH2 TIP3 6709 42.873 6.910 -21.773 1.00 0.00 WAT +ATOM 26436 H1 TIP3 6709 42.593 7.789 -21.446 1.00 0.00 WAT +ATOM 26437 H2 TIP3 6709 42.139 6.357 -21.431 1.00 0.00 WAT +ATOM 26438 OH2 TIP3 6710 40.017 2.795 -7.641 1.00 0.00 WAT +ATOM 26439 H1 TIP3 6710 39.655 2.467 -8.482 1.00 0.00 WAT +ATOM 26440 H2 TIP3 6710 40.952 2.523 -7.717 1.00 0.00 WAT +ATOM 26441 OH2 TIP3 6711 38.137 8.302 -17.642 1.00 0.00 WAT +ATOM 26442 H1 TIP3 6711 38.580 9.152 -17.793 1.00 0.00 WAT +ATOM 26443 H2 TIP3 6711 37.235 8.492 -17.923 1.00 0.00 WAT +ATOM 26444 OH2 TIP3 6712 34.141 3.104 -23.077 1.00 0.00 WAT +ATOM 26445 H1 TIP3 6712 34.728 3.760 -22.658 1.00 0.00 WAT +ATOM 26446 H2 TIP3 6712 33.274 3.354 -22.705 1.00 0.00 WAT +ATOM 26447 OH2 TIP3 6713 39.943 5.979 -18.083 1.00 0.00 WAT +ATOM 26448 H1 TIP3 6713 39.660 6.887 -17.898 1.00 0.00 WAT +ATOM 26449 H2 TIP3 6713 39.252 5.466 -17.635 1.00 0.00 WAT +ATOM 26450 OH2 TIP3 6714 40.193 10.267 -11.652 1.00 0.00 WAT +ATOM 26451 H1 TIP3 6714 40.775 10.986 -11.982 1.00 0.00 WAT +ATOM 26452 H2 TIP3 6714 40.836 9.740 -11.149 1.00 0.00 WAT +ATOM 26453 OH2 TIP3 6715 38.592 11.187 -18.467 1.00 0.00 WAT +ATOM 26454 H1 TIP3 6715 37.643 11.363 -18.368 1.00 0.00 WAT +ATOM 26455 H2 TIP3 6715 38.980 12.047 -18.218 1.00 0.00 WAT +ATOM 26456 OH2 TIP3 6716 34.299 -2.033 -10.046 1.00 0.00 WAT +ATOM 26457 H1 TIP3 6716 33.373 -1.763 -10.210 1.00 0.00 WAT +ATOM 26458 H2 TIP3 6716 34.166 -2.913 -9.645 1.00 0.00 WAT +ATOM 26459 OH2 TIP3 6717 34.096 9.058 -10.765 1.00 0.00 WAT +ATOM 26460 H1 TIP3 6717 34.579 8.773 -11.560 1.00 0.00 WAT +ATOM 26461 H2 TIP3 6717 34.351 9.999 -10.733 1.00 0.00 WAT +ATOM 26462 OH2 TIP3 6718 39.939 8.372 -24.636 1.00 0.00 WAT +ATOM 26463 H1 TIP3 6718 40.291 7.596 -25.114 1.00 0.00 WAT +ATOM 26464 H2 TIP3 6718 39.566 7.944 -23.845 1.00 0.00 WAT +ATOM 26465 OH2 TIP3 6719 38.850 7.815 -21.879 1.00 0.00 WAT +ATOM 26466 H1 TIP3 6719 39.339 7.295 -21.225 1.00 0.00 WAT +ATOM 26467 H2 TIP3 6719 38.994 8.731 -21.565 1.00 0.00 WAT +ATOM 26468 OH2 TIP3 6720 35.648 5.305 -21.545 1.00 0.00 WAT +ATOM 26469 H1 TIP3 6720 34.933 5.681 -20.994 1.00 0.00 WAT +ATOM 26470 H2 TIP3 6720 36.137 6.107 -21.790 1.00 0.00 WAT +ATOM 26471 OH2 TIP3 6721 43.355 -1.801 -10.934 1.00 0.00 WAT +ATOM 26472 H1 TIP3 6721 43.868 -2.583 -10.715 1.00 0.00 WAT +ATOM 26473 H2 TIP3 6721 42.755 -2.150 -11.609 1.00 0.00 WAT +ATOM 26474 OH2 TIP3 6722 41.673 9.470 -21.371 1.00 0.00 WAT +ATOM 26475 H1 TIP3 6722 40.888 9.986 -21.119 1.00 0.00 WAT +ATOM 26476 H2 TIP3 6722 42.103 10.058 -21.995 1.00 0.00 WAT +ATOM 26477 OH2 TIP3 6723 41.368 -0.866 -19.304 1.00 0.00 WAT +ATOM 26478 H1 TIP3 6723 42.007 -0.185 -18.990 1.00 0.00 WAT +ATOM 26479 H2 TIP3 6723 41.012 -1.124 -18.435 1.00 0.00 WAT +ATOM 26480 OH2 TIP3 6724 41.676 0.134 -10.115 1.00 0.00 WAT +ATOM 26481 H1 TIP3 6724 41.861 0.575 -9.276 1.00 0.00 WAT +ATOM 26482 H2 TIP3 6724 42.338 -0.588 -10.134 1.00 0.00 WAT +ATOM 26483 OH2 TIP3 6725 41.899 -3.854 -18.062 1.00 0.00 WAT +ATOM 26484 H1 TIP3 6725 41.668 -3.024 -17.593 1.00 0.00 WAT +ATOM 26485 H2 TIP3 6725 42.677 -3.575 -18.596 1.00 0.00 WAT +ATOM 26486 OH2 TIP3 6726 38.927 10.547 -21.296 1.00 0.00 WAT +ATOM 26487 H1 TIP3 6726 38.907 11.371 -21.824 1.00 0.00 WAT +ATOM 26488 H2 TIP3 6726 38.812 10.884 -20.388 1.00 0.00 WAT +ATOM 26489 OH2 TIP3 6727 37.705 -2.749 -21.876 1.00 0.00 WAT +ATOM 26490 H1 TIP3 6727 37.688 -2.038 -21.211 1.00 0.00 WAT +ATOM 26491 H2 TIP3 6727 38.482 -3.262 -21.588 1.00 0.00 WAT +ATOM 26492 OH2 TIP3 6728 36.113 8.131 -22.762 1.00 0.00 WAT +ATOM 26493 H1 TIP3 6728 36.855 8.598 -22.342 1.00 0.00 WAT +ATOM 26494 H2 TIP3 6728 36.605 7.600 -23.408 1.00 0.00 WAT +ATOM 26495 OH2 TIP3 6729 34.264 0.312 -23.651 1.00 0.00 WAT +ATOM 26496 H1 TIP3 6729 34.350 1.251 -23.405 1.00 0.00 WAT +ATOM 26497 H2 TIP3 6729 33.378 0.279 -24.033 1.00 0.00 WAT +ATOM 26498 OH2 TIP3 6730 35.172 -4.662 -14.848 1.00 0.00 WAT +ATOM 26499 H1 TIP3 6730 34.966 -4.714 -15.801 1.00 0.00 WAT +ATOM 26500 H2 TIP3 6730 34.838 -5.519 -14.510 1.00 0.00 WAT +ATOM 26501 OH2 TIP3 6731 34.063 8.831 -18.561 1.00 0.00 WAT +ATOM 26502 H1 TIP3 6731 33.270 9.335 -18.338 1.00 0.00 WAT +ATOM 26503 H2 TIP3 6731 34.427 9.345 -19.297 1.00 0.00 WAT +ATOM 26504 OH2 TIP3 6732 33.489 11.314 -7.520 1.00 0.00 WAT +ATOM 26505 H1 TIP3 6732 34.061 11.360 -6.732 1.00 0.00 WAT +ATOM 26506 H2 TIP3 6732 32.786 10.730 -7.223 1.00 0.00 WAT +ATOM 26507 OH2 TIP3 6733 38.168 10.836 -5.681 1.00 0.00 WAT +ATOM 26508 H1 TIP3 6733 38.802 10.162 -5.386 1.00 0.00 WAT +ATOM 26509 H2 TIP3 6733 37.910 10.477 -6.540 1.00 0.00 WAT +ATOM 26510 OH2 TIP3 6734 42.319 10.027 -24.344 1.00 0.00 WAT +ATOM 26511 H1 TIP3 6734 41.480 9.523 -24.302 1.00 0.00 WAT +ATOM 26512 H2 TIP3 6734 42.938 9.280 -24.432 1.00 0.00 WAT +ATOM 26513 OH2 TIP3 6735 37.628 5.793 -24.291 1.00 0.00 WAT +ATOM 26514 H1 TIP3 6735 37.772 5.192 -23.540 1.00 0.00 WAT +ATOM 26515 H2 TIP3 6735 38.490 5.734 -24.741 1.00 0.00 WAT +ATOM 26516 OH2 TIP3 6736 40.031 5.579 -6.970 1.00 0.00 WAT +ATOM 26517 H1 TIP3 6736 39.850 5.861 -7.880 1.00 0.00 WAT +ATOM 26518 H2 TIP3 6736 40.180 4.616 -7.080 1.00 0.00 WAT +ATOM 26519 OH2 TIP3 6737 42.617 7.110 -24.741 1.00 0.00 WAT +ATOM 26520 H1 TIP3 6737 42.757 7.198 -23.781 1.00 0.00 WAT +ATOM 26521 H2 TIP3 6737 42.417 6.161 -24.811 1.00 0.00 WAT +ATOM 26522 OH2 TIP3 6738 38.699 3.854 -21.983 1.00 0.00 WAT +ATOM 26523 H1 TIP3 6738 38.084 3.359 -21.421 1.00 0.00 WAT +ATOM 26524 H2 TIP3 6738 39.013 3.149 -22.584 1.00 0.00 WAT +ATOM 26525 OH2 TIP3 6739 37.965 1.675 -9.644 1.00 0.00 WAT +ATOM 26526 H1 TIP3 6739 37.363 2.430 -9.517 1.00 0.00 WAT +ATOM 26527 H2 TIP3 6739 38.543 1.983 -10.363 1.00 0.00 WAT +ATOM 26528 OH2 TIP3 6740 39.796 1.869 -23.665 1.00 0.00 WAT +ATOM 26529 H1 TIP3 6740 39.691 1.912 -24.631 1.00 0.00 WAT +ATOM 26530 H2 TIP3 6740 40.754 1.988 -23.565 1.00 0.00 WAT +ATOM 26531 OH2 TIP3 6741 42.816 4.134 -6.070 1.00 0.00 WAT +ATOM 26532 H1 TIP3 6741 43.585 3.821 -6.554 1.00 0.00 WAT +ATOM 26533 H2 TIP3 6741 42.665 3.367 -5.489 1.00 0.00 WAT +ATOM 26534 OH2 TIP3 6742 38.596 -1.047 -8.523 1.00 0.00 WAT +ATOM 26535 H1 TIP3 6742 38.593 -1.716 -9.230 1.00 0.00 WAT +ATOM 26536 H2 TIP3 6742 38.373 -0.241 -9.017 1.00 0.00 WAT +ATOM 26537 OH2 TIP3 6743 38.865 -2.611 -11.105 1.00 0.00 WAT +ATOM 26538 H1 TIP3 6743 39.350 -2.053 -11.747 1.00 0.00 WAT +ATOM 26539 H2 TIP3 6743 37.946 -2.593 -11.446 1.00 0.00 WAT +ATOM 26540 OH2 TIP3 6744 40.571 2.807 -10.864 1.00 0.00 WAT +ATOM 26541 H1 TIP3 6744 41.345 2.788 -11.444 1.00 0.00 WAT +ATOM 26542 H2 TIP3 6744 40.309 3.738 -10.927 1.00 0.00 WAT +ATOM 26543 OH2 TIP3 6745 36.629 0.787 -6.667 1.00 0.00 WAT +ATOM 26544 H1 TIP3 6745 36.090 -0.005 -6.853 1.00 0.00 WAT +ATOM 26545 H2 TIP3 6745 37.425 0.592 -7.179 1.00 0.00 WAT +ATOM 26546 OH2 TIP3 6746 39.705 -5.236 -10.748 1.00 0.00 WAT +ATOM 26547 H1 TIP3 6746 39.462 -4.302 -10.923 1.00 0.00 WAT +ATOM 26548 H2 TIP3 6746 39.046 -5.703 -11.299 1.00 0.00 WAT +ATOM 26549 OH2 TIP3 6747 41.017 -0.793 -7.007 1.00 0.00 WAT +ATOM 26550 H1 TIP3 6747 40.622 -1.045 -6.159 1.00 0.00 WAT +ATOM 26551 H2 TIP3 6747 40.274 -0.999 -7.609 1.00 0.00 WAT +ATOM 26552 OH2 TIP3 6748 35.538 -1.782 -6.889 1.00 0.00 WAT +ATOM 26553 H1 TIP3 6748 35.259 -2.300 -7.659 1.00 0.00 WAT +ATOM 26554 H2 TIP3 6748 34.885 -2.074 -6.231 1.00 0.00 WAT +ATOM 26555 OH2 TIP3 6749 39.455 -5.794 -7.923 1.00 0.00 WAT +ATOM 26556 H1 TIP3 6749 40.080 -6.531 -7.922 1.00 0.00 WAT +ATOM 26557 H2 TIP3 6749 39.383 -5.617 -8.882 1.00 0.00 WAT +ATOM 26558 OH2 TIP3 6750 40.351 -3.973 -5.981 1.00 0.00 WAT +ATOM 26559 H1 TIP3 6750 40.084 -4.529 -6.741 1.00 0.00 WAT +ATOM 26560 H2 TIP3 6750 39.706 -3.250 -6.029 1.00 0.00 WAT +ATOM 26561 OH2 TIP3 6751 39.563 13.079 -22.585 1.00 0.00 WAT +ATOM 26562 H1 TIP3 6751 40.523 13.158 -22.506 1.00 0.00 WAT +ATOM 26563 H2 TIP3 6751 39.408 13.575 -23.401 1.00 0.00 WAT +ATOM 26564 OH2 TIP3 6752 33.341 7.527 -23.091 1.00 0.00 WAT +ATOM 26565 H1 TIP3 6752 34.295 7.687 -22.931 1.00 0.00 WAT +ATOM 26566 H2 TIP3 6752 33.360 6.717 -23.640 1.00 0.00 WAT +ATOM 26567 OH2 TIP3 6753 32.350 12.694 -18.327 1.00 0.00 WAT +ATOM 26568 H1 TIP3 6753 31.620 12.331 -18.865 1.00 0.00 WAT +ATOM 26569 H2 TIP3 6753 32.441 12.005 -17.637 1.00 0.00 WAT +ATOM 26570 OH2 TIP3 6754 32.727 10.735 -16.357 1.00 0.00 WAT +ATOM 26571 H1 TIP3 6754 32.417 9.863 -16.062 1.00 0.00 WAT +ATOM 26572 H2 TIP3 6754 33.052 11.082 -15.511 1.00 0.00 WAT +ATOM 26573 OH2 TIP3 6755 32.702 3.984 -13.825 1.00 0.00 WAT +ATOM 26574 H1 TIP3 6755 32.918 3.963 -14.767 1.00 0.00 WAT +ATOM 26575 H2 TIP3 6755 33.551 3.733 -13.414 1.00 0.00 WAT +ATOM 26576 OH2 TIP3 6756 33.473 -2.193 -14.733 1.00 0.00 WAT +ATOM 26577 H1 TIP3 6756 33.873 -3.077 -14.641 1.00 0.00 WAT +ATOM 26578 H2 TIP3 6756 34.199 -1.634 -14.396 1.00 0.00 WAT +ATOM 26579 OH2 TIP3 6757 31.997 0.664 -13.537 1.00 0.00 WAT +ATOM 26580 H1 TIP3 6757 32.555 0.424 -14.289 1.00 0.00 WAT +ATOM 26581 H2 TIP3 6757 32.351 1.534 -13.313 1.00 0.00 WAT +ATOM 26582 OH2 TIP3 6758 32.527 -3.247 -19.659 1.00 0.00 WAT +ATOM 26583 H1 TIP3 6758 31.572 -3.185 -19.832 1.00 0.00 WAT +ATOM 26584 H2 TIP3 6758 32.914 -2.620 -20.301 1.00 0.00 WAT +ATOM 26585 OH2 TIP3 6759 32.549 -4.307 -11.468 1.00 0.00 WAT +ATOM 26586 H1 TIP3 6759 31.871 -4.569 -10.824 1.00 0.00 WAT +ATOM 26587 H2 TIP3 6759 31.996 -3.923 -12.168 1.00 0.00 WAT +ATOM 26588 OH2 TIP3 6760 37.366 9.719 -11.085 1.00 0.00 WAT +ATOM 26589 H1 TIP3 6760 37.164 10.596 -11.463 1.00 0.00 WAT +ATOM 26590 H2 TIP3 6760 38.333 9.721 -11.249 1.00 0.00 WAT +ATOM 26591 OH2 TIP3 6761 42.185 11.374 -8.226 1.00 0.00 WAT +ATOM 26592 H1 TIP3 6761 42.054 10.989 -7.343 1.00 0.00 WAT +ATOM 26593 H2 TIP3 6761 43.139 11.571 -8.178 1.00 0.00 WAT +ATOM 26594 OH2 TIP3 6762 34.656 12.532 -10.840 1.00 0.00 WAT +ATOM 26595 H1 TIP3 6762 34.172 13.261 -11.273 1.00 0.00 WAT +ATOM 26596 H2 TIP3 6762 34.453 12.740 -9.915 1.00 0.00 WAT +ATOM 26597 OH2 TIP3 6763 37.230 12.382 -12.269 1.00 0.00 WAT +ATOM 26598 H1 TIP3 6763 36.459 12.725 -11.788 1.00 0.00 WAT +ATOM 26599 H2 TIP3 6763 37.388 13.091 -12.926 1.00 0.00 WAT +ATOM 26600 OH2 TIP3 6764 41.921 12.280 -12.659 1.00 0.00 WAT +ATOM 26601 H1 TIP3 6764 41.810 12.730 -13.511 1.00 0.00 WAT +ATOM 26602 H2 TIP3 6764 42.629 12.798 -12.253 1.00 0.00 WAT +ATOM 26603 OH2 TIP3 6765 34.337 11.415 -13.889 1.00 0.00 WAT +ATOM 26604 H1 TIP3 6765 34.540 11.205 -12.970 1.00 0.00 WAT +ATOM 26605 H2 TIP3 6765 35.117 11.045 -14.359 1.00 0.00 WAT +ATOM 26606 OH2 TIP3 6766 36.362 10.249 -15.390 1.00 0.00 WAT +ATOM 26607 H1 TIP3 6766 36.249 9.301 -15.179 1.00 0.00 WAT +ATOM 26608 H2 TIP3 6766 37.293 10.401 -15.123 1.00 0.00 WAT +ATOM 26609 OH2 TIP3 6767 39.086 10.696 -14.537 1.00 0.00 WAT +ATOM 26610 H1 TIP3 6767 39.355 9.790 -14.763 1.00 0.00 WAT +ATOM 26611 H2 TIP3 6767 39.229 10.694 -13.577 1.00 0.00 WAT +ATOM 26612 OH2 TIP3 6768 42.649 -3.712 -15.218 1.00 0.00 WAT +ATOM 26613 H1 TIP3 6768 41.823 -4.214 -15.097 1.00 0.00 WAT +ATOM 26614 H2 TIP3 6768 42.991 -4.114 -16.024 1.00 0.00 WAT +ATOM 26615 OH2 TIP3 6769 34.818 -4.689 -17.705 1.00 0.00 WAT +ATOM 26616 H1 TIP3 6769 33.946 -4.846 -18.118 1.00 0.00 WAT +ATOM 26617 H2 TIP3 6769 35.229 -5.569 -17.807 1.00 0.00 WAT +ATOM 26618 OH2 TIP3 6770 33.575 -5.205 -21.812 1.00 0.00 WAT +ATOM 26619 H1 TIP3 6770 34.108 -4.552 -22.303 1.00 0.00 WAT +ATOM 26620 H2 TIP3 6770 33.224 -4.673 -21.079 1.00 0.00 WAT +ATOM 26621 OH2 TIP3 6771 39.289 -4.827 -17.783 1.00 0.00 WAT +ATOM 26622 H1 TIP3 6771 40.228 -4.579 -17.906 1.00 0.00 WAT +ATOM 26623 H2 TIP3 6771 39.275 -4.983 -16.832 1.00 0.00 WAT +ATOM 26624 OH2 TIP3 6772 33.807 10.744 -20.637 1.00 0.00 WAT +ATOM 26625 H1 TIP3 6772 33.163 10.621 -21.351 1.00 0.00 WAT +ATOM 26626 H2 TIP3 6772 33.780 11.707 -20.542 1.00 0.00 WAT +ATOM 26627 OH2 TIP3 6773 35.334 -3.381 -23.373 1.00 0.00 WAT +ATOM 26628 H1 TIP3 6773 35.936 -3.952 -23.879 1.00 0.00 WAT +ATOM 26629 H2 TIP3 6773 35.932 -3.052 -22.675 1.00 0.00 WAT +ATOM 26630 OH2 TIP3 6774 40.638 -3.160 -20.823 1.00 0.00 WAT +ATOM 26631 H1 TIP3 6774 40.707 -3.842 -20.134 1.00 0.00 WAT +ATOM 26632 H2 TIP3 6774 40.597 -2.343 -20.295 1.00 0.00 WAT +ATOM 26633 OH2 TIP3 6775 42.626 12.397 -22.550 1.00 0.00 WAT +ATOM 26634 H1 TIP3 6775 43.513 12.767 -22.714 1.00 0.00 WAT +ATOM 26635 H2 TIP3 6775 42.497 11.804 -23.311 1.00 0.00 WAT +ATOM 26636 OH2 TIP3 6776 34.601 -4.455 -8.185 1.00 0.00 WAT +ATOM 26637 H1 TIP3 6776 34.124 -5.222 -7.812 1.00 0.00 WAT +ATOM 26638 H2 TIP3 6776 35.492 -4.579 -7.827 1.00 0.00 WAT +ATOM 26639 OH2 TIP3 6777 37.047 -5.058 -6.360 1.00 0.00 WAT +ATOM 26640 H1 TIP3 6777 37.837 -5.424 -6.803 1.00 0.00 WAT +ATOM 26641 H2 TIP3 6777 36.615 -5.860 -6.036 1.00 0.00 WAT +ATOM 26642 OH2 TIP3 6778 35.249 11.725 -23.835 1.00 0.00 WAT +ATOM 26643 H1 TIP3 6778 34.999 11.959 -22.930 1.00 0.00 WAT +ATOM 26644 H2 TIP3 6778 35.991 11.113 -23.696 1.00 0.00 WAT +ATOM 26645 OH2 TIP3 6779 -31.582 22.926 -17.430 1.00 0.00 WAT +ATOM 26646 H1 TIP3 6779 -31.632 23.892 -17.349 1.00 0.00 WAT +ATOM 26647 H2 TIP3 6779 -32.367 22.742 -17.966 1.00 0.00 WAT +ATOM 26648 OH2 TIP3 6780 -32.688 22.339 -14.342 1.00 0.00 WAT +ATOM 26649 H1 TIP3 6780 -32.750 21.778 -13.553 1.00 0.00 WAT +ATOM 26650 H2 TIP3 6780 -33.011 21.734 -15.027 1.00 0.00 WAT +ATOM 26651 OH2 TIP3 6781 -40.246 21.921 -12.734 1.00 0.00 WAT +ATOM 26652 H1 TIP3 6781 -40.342 21.203 -12.083 1.00 0.00 WAT +ATOM 26653 H2 TIP3 6781 -39.611 22.497 -12.288 1.00 0.00 WAT +ATOM 26654 OH2 TIP3 6782 -28.982 25.033 -15.995 1.00 0.00 WAT +ATOM 26655 H1 TIP3 6782 -29.478 24.368 -15.498 1.00 0.00 WAT +ATOM 26656 H2 TIP3 6782 -28.914 25.750 -15.351 1.00 0.00 WAT +ATOM 26657 OH2 TIP3 6783 -39.589 26.558 -14.207 1.00 0.00 WAT +ATOM 26658 H1 TIP3 6783 -39.880 25.656 -14.450 1.00 0.00 WAT +ATOM 26659 H2 TIP3 6783 -38.659 26.394 -13.994 1.00 0.00 WAT +ATOM 26660 OH2 TIP3 6784 -41.745 21.017 -19.440 1.00 0.00 WAT +ATOM 26661 H1 TIP3 6784 -42.189 21.659 -18.858 1.00 0.00 WAT +ATOM 26662 H2 TIP3 6784 -42.181 20.210 -19.132 1.00 0.00 WAT +ATOM 26663 OH2 TIP3 6785 -42.123 22.410 -16.982 1.00 0.00 WAT +ATOM 26664 H1 TIP3 6785 -41.880 21.689 -16.374 1.00 0.00 WAT +ATOM 26665 H2 TIP3 6785 -41.266 22.732 -17.279 1.00 0.00 WAT +ATOM 26666 OH2 TIP3 6786 -32.010 30.434 -15.481 1.00 0.00 WAT +ATOM 26667 H1 TIP3 6786 -31.411 29.717 -15.764 1.00 0.00 WAT +ATOM 26668 H2 TIP3 6786 -32.296 30.132 -14.610 1.00 0.00 WAT +ATOM 26669 OH2 TIP3 6787 -34.254 24.850 -13.784 1.00 0.00 WAT +ATOM 26670 H1 TIP3 6787 -33.935 24.140 -14.366 1.00 0.00 WAT +ATOM 26671 H2 TIP3 6787 -33.443 24.996 -13.261 1.00 0.00 WAT +ATOM 26672 OH2 TIP3 6788 -25.610 16.293 -13.132 1.00 0.00 WAT +ATOM 26673 H1 TIP3 6788 -25.253 16.635 -12.300 1.00 0.00 WAT +ATOM 26674 H2 TIP3 6788 -24.934 16.582 -13.762 1.00 0.00 WAT +ATOM 26675 OH2 TIP3 6789 -30.942 19.197 -13.269 1.00 0.00 WAT +ATOM 26676 H1 TIP3 6789 -30.829 18.234 -13.194 1.00 0.00 WAT +ATOM 26677 H2 TIP3 6789 -31.070 19.300 -14.226 1.00 0.00 WAT +ATOM 26678 OH2 TIP3 6790 -37.979 17.199 -16.202 1.00 0.00 WAT +ATOM 26679 H1 TIP3 6790 -37.858 18.057 -16.655 1.00 0.00 WAT +ATOM 26680 H2 TIP3 6790 -38.344 16.666 -16.935 1.00 0.00 WAT +ATOM 26681 OH2 TIP3 6791 -30.143 17.365 -17.879 1.00 0.00 WAT +ATOM 26682 H1 TIP3 6791 -29.571 16.933 -17.208 1.00 0.00 WAT +ATOM 26683 H2 TIP3 6791 -29.478 17.811 -18.423 1.00 0.00 WAT +ATOM 26684 OH2 TIP3 6792 -41.332 20.002 -15.654 1.00 0.00 WAT +ATOM 26685 H1 TIP3 6792 -40.779 19.521 -15.016 1.00 0.00 WAT +ATOM 26686 H2 TIP3 6792 -41.252 19.429 -16.434 1.00 0.00 WAT +ATOM 26687 OH2 TIP3 6793 -35.909 21.312 -16.232 1.00 0.00 WAT +ATOM 26688 H1 TIP3 6793 -35.220 20.751 -15.826 1.00 0.00 WAT +ATOM 26689 H2 TIP3 6793 -36.432 20.650 -16.720 1.00 0.00 WAT +ATOM 26690 OH2 TIP3 6794 -24.637 17.906 -10.679 1.00 0.00 WAT +ATOM 26691 H1 TIP3 6794 -25.423 18.441 -10.880 1.00 0.00 WAT +ATOM 26692 H2 TIP3 6794 -24.808 17.654 -9.758 1.00 0.00 WAT +ATOM 26693 OH2 TIP3 6795 -39.173 16.028 -12.029 1.00 0.00 WAT +ATOM 26694 H1 TIP3 6795 -39.644 16.454 -12.759 1.00 0.00 WAT +ATOM 26695 H2 TIP3 6795 -39.804 16.161 -11.298 1.00 0.00 WAT +ATOM 26696 OH2 TIP3 6796 -31.683 25.762 -18.619 1.00 0.00 WAT +ATOM 26697 H1 TIP3 6796 -32.000 25.523 -19.495 1.00 0.00 WAT +ATOM 26698 H2 TIP3 6796 -32.151 26.601 -18.450 1.00 0.00 WAT +ATOM 26699 OH2 TIP3 6797 -36.246 23.865 -11.901 1.00 0.00 WAT +ATOM 26700 H1 TIP3 6797 -36.987 24.451 -11.636 1.00 0.00 WAT +ATOM 26701 H2 TIP3 6797 -35.643 24.487 -12.347 1.00 0.00 WAT +ATOM 26702 OH2 TIP3 6798 -28.298 16.608 -15.850 1.00 0.00 WAT +ATOM 26703 H1 TIP3 6798 -28.706 15.996 -15.224 1.00 0.00 WAT +ATOM 26704 H2 TIP3 6798 -27.801 17.196 -15.254 1.00 0.00 WAT +ATOM 26705 OH2 TIP3 6799 -39.570 18.077 -14.128 1.00 0.00 WAT +ATOM 26706 H1 TIP3 6799 -38.928 18.642 -13.651 1.00 0.00 WAT +ATOM 26707 H2 TIP3 6799 -38.986 17.688 -14.815 1.00 0.00 WAT +ATOM 26708 OH2 TIP3 6800 -38.269 25.732 -11.175 1.00 0.00 WAT +ATOM 26709 H1 TIP3 6800 -38.300 26.654 -11.491 1.00 0.00 WAT +ATOM 26710 H2 TIP3 6800 -39.158 25.666 -10.775 1.00 0.00 WAT +ATOM 26711 OH2 TIP3 6801 -41.836 25.354 -20.255 1.00 0.00 WAT +ATOM 26712 H1 TIP3 6801 -42.631 25.562 -20.786 1.00 0.00 WAT +ATOM 26713 H2 TIP3 6801 -41.892 25.999 -19.528 1.00 0.00 WAT +ATOM 26714 OH2 TIP3 6802 -28.420 26.837 -13.564 1.00 0.00 WAT +ATOM 26715 H1 TIP3 6802 -29.391 26.930 -13.473 1.00 0.00 WAT +ATOM 26716 H2 TIP3 6802 -28.199 27.731 -13.893 1.00 0.00 WAT +ATOM 26717 OH2 TIP3 6803 -28.153 15.819 -11.974 1.00 0.00 WAT +ATOM 26718 H1 TIP3 6803 -28.904 16.199 -12.465 1.00 0.00 WAT +ATOM 26719 H2 TIP3 6803 -27.407 15.955 -12.591 1.00 0.00 WAT +ATOM 26720 OH2 TIP3 6804 -35.051 13.479 -14.941 1.00 0.00 WAT +ATOM 26721 H1 TIP3 6804 -35.271 12.529 -14.987 1.00 0.00 WAT +ATOM 26722 H2 TIP3 6804 -35.876 13.852 -14.564 1.00 0.00 WAT +ATOM 26723 OH2 TIP3 6805 -30.163 28.803 -16.919 1.00 0.00 WAT +ATOM 26724 H1 TIP3 6805 -29.682 28.045 -17.304 1.00 0.00 WAT +ATOM 26725 H2 TIP3 6805 -29.528 29.530 -17.072 1.00 0.00 WAT +ATOM 26726 OH2 TIP3 6806 -28.734 26.672 -18.332 1.00 0.00 WAT +ATOM 26727 H1 TIP3 6806 -29.251 26.253 -19.036 1.00 0.00 WAT +ATOM 26728 H2 TIP3 6806 -28.830 26.022 -17.611 1.00 0.00 WAT +ATOM 26729 OH2 TIP3 6807 -27.188 25.506 -9.837 1.00 0.00 WAT +ATOM 26730 H1 TIP3 6807 -27.338 24.893 -10.572 1.00 0.00 WAT +ATOM 26731 H2 TIP3 6807 -27.153 26.376 -10.288 1.00 0.00 WAT +ATOM 26732 OH2 TIP3 6808 -32.956 22.423 -20.150 1.00 0.00 WAT +ATOM 26733 H1 TIP3 6808 -33.623 23.030 -20.523 1.00 0.00 WAT +ATOM 26734 H2 TIP3 6808 -32.248 22.474 -20.812 1.00 0.00 WAT +ATOM 26735 OH2 TIP3 6809 -32.666 20.610 -23.094 1.00 0.00 WAT +ATOM 26736 H1 TIP3 6809 -31.969 20.926 -22.491 1.00 0.00 WAT +ATOM 26737 H2 TIP3 6809 -32.154 20.032 -23.678 1.00 0.00 WAT +ATOM 26738 OH2 TIP3 6810 -25.249 21.856 -12.095 1.00 0.00 WAT +ATOM 26739 H1 TIP3 6810 -26.081 22.360 -12.020 1.00 0.00 WAT +ATOM 26740 H2 TIP3 6810 -25.038 21.933 -13.032 1.00 0.00 WAT +ATOM 26741 OH2 TIP3 6811 -29.427 22.432 -19.079 1.00 0.00 WAT +ATOM 26742 H1 TIP3 6811 -30.128 22.651 -18.422 1.00 0.00 WAT +ATOM 26743 H2 TIP3 6811 -28.867 21.834 -18.555 1.00 0.00 WAT +ATOM 26744 OH2 TIP3 6812 -29.570 20.981 -10.252 1.00 0.00 WAT +ATOM 26745 H1 TIP3 6812 -29.574 21.793 -9.721 1.00 0.00 WAT +ATOM 26746 H2 TIP3 6812 -30.267 21.216 -10.893 1.00 0.00 WAT +ATOM 26747 OH2 TIP3 6813 -37.811 23.210 -17.326 1.00 0.00 WAT +ATOM 26748 H1 TIP3 6813 -38.155 22.763 -18.123 1.00 0.00 WAT +ATOM 26749 H2 TIP3 6813 -37.189 22.548 -16.977 1.00 0.00 WAT +ATOM 26750 OH2 TIP3 6814 -36.468 26.603 -14.565 1.00 0.00 WAT +ATOM 26751 H1 TIP3 6814 -36.594 26.217 -15.442 1.00 0.00 WAT +ATOM 26752 H2 TIP3 6814 -35.675 26.128 -14.249 1.00 0.00 WAT +ATOM 26753 OH2 TIP3 6815 -37.258 22.013 -13.829 1.00 0.00 WAT +ATOM 26754 H1 TIP3 6815 -36.678 22.056 -14.612 1.00 0.00 WAT +ATOM 26755 H2 TIP3 6815 -36.874 22.682 -13.234 1.00 0.00 WAT +ATOM 26756 OH2 TIP3 6816 -31.205 27.475 -13.223 1.00 0.00 WAT +ATOM 26757 H1 TIP3 6816 -31.292 28.190 -12.568 1.00 0.00 WAT +ATOM 26758 H2 TIP3 6816 -31.542 26.695 -12.749 1.00 0.00 WAT +ATOM 26759 OH2 TIP3 6817 -36.421 26.317 -8.980 1.00 0.00 WAT +ATOM 26760 H1 TIP3 6817 -36.939 26.984 -8.493 1.00 0.00 WAT +ATOM 26761 H2 TIP3 6817 -37.062 26.054 -9.668 1.00 0.00 WAT +ATOM 26762 OH2 TIP3 6818 -30.486 21.871 -21.624 1.00 0.00 WAT +ATOM 26763 H1 TIP3 6818 -30.016 22.153 -20.812 1.00 0.00 WAT +ATOM 26764 H2 TIP3 6818 -29.993 22.384 -22.311 1.00 0.00 WAT +ATOM 26765 OH2 TIP3 6819 -39.556 22.662 -9.826 1.00 0.00 WAT +ATOM 26766 H1 TIP3 6819 -39.483 23.266 -9.066 1.00 0.00 WAT +ATOM 26767 H2 TIP3 6819 -40.526 22.624 -9.936 1.00 0.00 WAT +ATOM 26768 OH2 TIP3 6820 -33.002 28.472 -18.055 1.00 0.00 WAT +ATOM 26769 H1 TIP3 6820 -32.594 28.791 -17.242 1.00 0.00 WAT +ATOM 26770 H2 TIP3 6820 -33.524 29.235 -18.347 1.00 0.00 WAT +ATOM 26771 OH2 TIP3 6821 -38.348 28.461 -8.142 1.00 0.00 WAT +ATOM 26772 H1 TIP3 6821 -38.437 28.526 -9.109 1.00 0.00 WAT +ATOM 26773 H2 TIP3 6821 -39.265 28.300 -7.853 1.00 0.00 WAT +ATOM 26774 OH2 TIP3 6822 -27.054 13.616 -22.135 1.00 0.00 WAT +ATOM 26775 H1 TIP3 6822 -27.933 13.701 -21.721 1.00 0.00 WAT +ATOM 26776 H2 TIP3 6822 -26.707 14.518 -22.058 1.00 0.00 WAT +ATOM 26777 OH2 TIP3 6823 -38.910 21.913 -19.799 1.00 0.00 WAT +ATOM 26778 H1 TIP3 6823 -39.177 22.684 -20.324 1.00 0.00 WAT +ATOM 26779 H2 TIP3 6823 -39.706 21.353 -19.870 1.00 0.00 WAT +ATOM 26780 OH2 TIP3 6824 -25.672 27.740 -23.565 1.00 0.00 WAT +ATOM 26781 H1 TIP3 6824 -25.515 28.683 -23.355 1.00 0.00 WAT +ATOM 26782 H2 TIP3 6824 -24.800 27.348 -23.372 1.00 0.00 WAT +ATOM 26783 OH2 TIP3 6825 -42.644 24.736 -11.274 1.00 0.00 WAT +ATOM 26784 H1 TIP3 6825 -43.000 24.473 -12.138 1.00 0.00 WAT +ATOM 26785 H2 TIP3 6825 -43.059 24.071 -10.696 1.00 0.00 WAT +ATOM 26786 OH2 TIP3 6826 -42.835 27.577 -14.291 1.00 0.00 WAT +ATOM 26787 H1 TIP3 6826 -42.009 27.114 -14.100 1.00 0.00 WAT +ATOM 26788 H2 TIP3 6826 -42.998 28.046 -13.464 1.00 0.00 WAT +ATOM 26789 OH2 TIP3 6827 -24.433 28.142 -8.329 1.00 0.00 WAT +ATOM 26790 H1 TIP3 6827 -24.555 27.190 -8.468 1.00 0.00 WAT +ATOM 26791 H2 TIP3 6827 -25.339 28.406 -8.050 1.00 0.00 WAT +ATOM 26792 OH2 TIP3 6828 -33.777 27.370 -9.543 1.00 0.00 WAT +ATOM 26793 H1 TIP3 6828 -33.700 28.193 -9.017 1.00 0.00 WAT +ATOM 26794 H2 TIP3 6828 -34.682 27.077 -9.315 1.00 0.00 WAT +ATOM 26795 OH2 TIP3 6829 -33.475 31.187 -19.570 1.00 0.00 WAT +ATOM 26796 H1 TIP3 6829 -33.485 31.286 -20.538 1.00 0.00 WAT +ATOM 26797 H2 TIP3 6829 -33.436 32.105 -19.258 1.00 0.00 WAT +ATOM 26798 OH2 TIP3 6830 -39.763 30.310 -17.938 1.00 0.00 WAT +ATOM 26799 H1 TIP3 6830 -39.529 29.903 -17.078 1.00 0.00 WAT +ATOM 26800 H2 TIP3 6830 -40.565 29.803 -18.144 1.00 0.00 WAT +ATOM 26801 OH2 TIP3 6831 -30.190 30.610 -22.385 1.00 0.00 WAT +ATOM 26802 H1 TIP3 6831 -29.610 29.962 -22.832 1.00 0.00 WAT +ATOM 26803 H2 TIP3 6831 -30.243 30.230 -21.485 1.00 0.00 WAT +ATOM 26804 OH2 TIP3 6832 -30.799 30.031 -19.581 1.00 0.00 WAT +ATOM 26805 H1 TIP3 6832 -31.752 30.185 -19.451 1.00 0.00 WAT +ATOM 26806 H2 TIP3 6832 -30.659 29.310 -18.944 1.00 0.00 WAT +ATOM 26807 OH2 TIP3 6833 -27.710 19.539 -7.880 1.00 0.00 WAT +ATOM 26808 H1 TIP3 6833 -28.153 19.869 -8.673 1.00 0.00 WAT +ATOM 26809 H2 TIP3 6833 -27.548 18.604 -8.134 1.00 0.00 WAT +ATOM 26810 OH2 TIP3 6834 -40.710 26.154 -9.785 1.00 0.00 WAT +ATOM 26811 H1 TIP3 6834 -40.428 25.594 -9.038 1.00 0.00 WAT +ATOM 26812 H2 TIP3 6834 -41.460 25.652 -10.173 1.00 0.00 WAT +ATOM 26813 OH2 TIP3 6835 -37.478 14.649 -14.038 1.00 0.00 WAT +ATOM 26814 H1 TIP3 6835 -38.303 14.532 -14.544 1.00 0.00 WAT +ATOM 26815 H2 TIP3 6835 -37.749 15.353 -13.428 1.00 0.00 WAT +ATOM 26816 OH2 TIP3 6836 -33.078 14.198 -10.359 1.00 0.00 WAT +ATOM 26817 H1 TIP3 6836 -32.569 13.647 -9.731 1.00 0.00 WAT +ATOM 26818 H2 TIP3 6836 -33.987 13.858 -10.252 1.00 0.00 WAT +ATOM 26819 OH2 TIP3 6837 -29.905 17.961 -9.872 1.00 0.00 WAT +ATOM 26820 H1 TIP3 6837 -30.496 17.792 -9.117 1.00 0.00 WAT +ATOM 26821 H2 TIP3 6837 -29.983 18.917 -10.013 1.00 0.00 WAT +ATOM 26822 OH2 TIP3 6838 -28.931 22.934 -23.616 1.00 0.00 WAT +ATOM 26823 H1 TIP3 6838 -29.142 22.775 -24.555 1.00 0.00 WAT +ATOM 26824 H2 TIP3 6838 -27.998 23.204 -23.681 1.00 0.00 WAT +ATOM 26825 OH2 TIP3 6839 -33.299 16.720 -23.115 1.00 0.00 WAT +ATOM 26826 H1 TIP3 6839 -33.789 16.580 -22.290 1.00 0.00 WAT +ATOM 26827 H2 TIP3 6839 -33.700 16.035 -23.677 1.00 0.00 WAT +ATOM 26828 OH2 TIP3 6840 -37.593 19.429 -12.612 1.00 0.00 WAT +ATOM 26829 H1 TIP3 6840 -38.231 19.512 -11.882 1.00 0.00 WAT +ATOM 26830 H2 TIP3 6840 -37.572 20.337 -12.981 1.00 0.00 WAT +ATOM 26831 OH2 TIP3 6841 -37.694 19.489 -17.749 1.00 0.00 WAT +ATOM 26832 H1 TIP3 6841 -38.654 19.435 -17.919 1.00 0.00 WAT +ATOM 26833 H2 TIP3 6841 -37.349 19.310 -18.644 1.00 0.00 WAT +ATOM 26834 OH2 TIP3 6842 -32.066 20.069 -18.948 1.00 0.00 WAT +ATOM 26835 H1 TIP3 6842 -32.485 20.885 -19.299 1.00 0.00 WAT +ATOM 26836 H2 TIP3 6842 -31.394 19.896 -19.628 1.00 0.00 WAT +ATOM 26837 OH2 TIP3 6843 -32.824 20.231 -7.566 1.00 0.00 WAT +ATOM 26838 H1 TIP3 6843 -33.376 19.492 -7.240 1.00 0.00 WAT +ATOM 26839 H2 TIP3 6843 -31.965 20.034 -7.153 1.00 0.00 WAT +ATOM 26840 OH2 TIP3 6844 -31.173 19.472 -16.191 1.00 0.00 WAT +ATOM 26841 H1 TIP3 6844 -31.501 20.028 -16.925 1.00 0.00 WAT +ATOM 26842 H2 TIP3 6844 -30.986 18.649 -16.686 1.00 0.00 WAT +ATOM 26843 OH2 TIP3 6845 -40.171 19.556 -10.806 1.00 0.00 WAT +ATOM 26844 H1 TIP3 6845 -40.014 19.957 -9.944 1.00 0.00 WAT +ATOM 26845 H2 TIP3 6845 -40.543 18.694 -10.550 1.00 0.00 WAT +ATOM 26846 OH2 TIP3 6846 -36.866 17.179 -24.200 1.00 0.00 WAT +ATOM 26847 H1 TIP3 6846 -37.229 16.815 -23.368 1.00 0.00 WAT +ATOM 26848 H2 TIP3 6846 -37.658 17.311 -24.732 1.00 0.00 WAT +ATOM 26849 OH2 TIP3 6847 -43.125 17.106 -17.202 1.00 0.00 WAT +ATOM 26850 H1 TIP3 6847 -43.137 16.969 -16.237 1.00 0.00 WAT +ATOM 26851 H2 TIP3 6847 -42.735 16.292 -17.519 1.00 0.00 WAT +ATOM 26852 OH2 TIP3 6848 -42.144 17.763 -21.253 1.00 0.00 WAT +ATOM 26853 H1 TIP3 6848 -41.504 17.926 -21.973 1.00 0.00 WAT +ATOM 26854 H2 TIP3 6848 -42.980 17.909 -21.709 1.00 0.00 WAT +ATOM 26855 OH2 TIP3 6849 -32.061 21.133 -11.703 1.00 0.00 WAT +ATOM 26856 H1 TIP3 6849 -31.662 20.402 -12.229 1.00 0.00 WAT +ATOM 26857 H2 TIP3 6849 -32.466 20.647 -10.971 1.00 0.00 WAT +ATOM 26858 OH2 TIP3 6850 -34.901 17.104 -16.701 1.00 0.00 WAT +ATOM 26859 H1 TIP3 6850 -35.848 17.037 -16.485 1.00 0.00 WAT +ATOM 26860 H2 TIP3 6850 -34.493 16.867 -15.851 1.00 0.00 WAT +ATOM 26861 OH2 TIP3 6851 -40.368 18.349 -18.107 1.00 0.00 WAT +ATOM 26862 H1 TIP3 6851 -41.266 18.330 -18.458 1.00 0.00 WAT +ATOM 26863 H2 TIP3 6851 -40.005 17.510 -18.448 1.00 0.00 WAT +ATOM 26864 OH2 TIP3 6852 -36.710 18.617 -20.374 1.00 0.00 WAT +ATOM 26865 H1 TIP3 6852 -35.746 18.723 -20.299 1.00 0.00 WAT +ATOM 26866 H2 TIP3 6852 -36.965 19.261 -21.057 1.00 0.00 WAT +ATOM 26867 OH2 TIP3 6853 -30.507 16.225 -13.689 1.00 0.00 WAT +ATOM 26868 H1 TIP3 6853 -31.141 16.220 -12.941 1.00 0.00 WAT +ATOM 26869 H2 TIP3 6853 -31.078 15.873 -14.393 1.00 0.00 WAT +ATOM 26870 OH2 TIP3 6854 -38.252 19.903 -22.597 1.00 0.00 WAT +ATOM 26871 H1 TIP3 6854 -38.833 19.579 -23.299 1.00 0.00 WAT +ATOM 26872 H2 TIP3 6854 -37.434 20.094 -23.086 1.00 0.00 WAT +ATOM 26873 OH2 TIP3 6855 -27.503 31.986 -7.040 1.00 0.00 WAT +ATOM 26874 H1 TIP3 6855 -27.293 32.460 -7.862 1.00 0.00 WAT +ATOM 26875 H2 TIP3 6855 -26.816 32.321 -6.439 1.00 0.00 WAT +ATOM 26876 OH2 TIP3 6856 -39.521 24.618 -7.611 1.00 0.00 WAT +ATOM 26877 H1 TIP3 6856 -38.911 24.668 -6.845 1.00 0.00 WAT +ATOM 26878 H2 TIP3 6856 -40.378 24.707 -7.139 1.00 0.00 WAT +ATOM 26879 OH2 TIP3 6857 -33.869 19.647 -14.869 1.00 0.00 WAT +ATOM 26880 H1 TIP3 6857 -33.184 19.165 -15.353 1.00 0.00 WAT +ATOM 26881 H2 TIP3 6857 -34.071 19.029 -14.136 1.00 0.00 WAT +ATOM 26882 OH2 TIP3 6858 -38.735 15.989 -18.659 1.00 0.00 WAT +ATOM 26883 H1 TIP3 6858 -39.175 15.131 -18.586 1.00 0.00 WAT +ATOM 26884 H2 TIP3 6858 -37.904 15.749 -19.094 1.00 0.00 WAT +ATOM 26885 OH2 TIP3 6859 -34.890 18.118 -12.677 1.00 0.00 WAT +ATOM 26886 H1 TIP3 6859 -35.699 18.655 -12.630 1.00 0.00 WAT +ATOM 26887 H2 TIP3 6859 -34.440 18.325 -11.834 1.00 0.00 WAT +ATOM 26888 OH2 TIP3 6860 -34.788 24.482 -20.752 1.00 0.00 WAT +ATOM 26889 H1 TIP3 6860 -35.551 23.975 -21.101 1.00 0.00 WAT +ATOM 26890 H2 TIP3 6860 -34.983 24.523 -19.787 1.00 0.00 WAT +ATOM 26891 OH2 TIP3 6861 -27.363 23.712 -12.229 1.00 0.00 WAT +ATOM 26892 H1 TIP3 6861 -27.226 24.375 -12.916 1.00 0.00 WAT +ATOM 26893 H2 TIP3 6861 -28.295 23.474 -12.422 1.00 0.00 WAT +ATOM 26894 OH2 TIP3 6862 -30.616 17.312 -22.985 1.00 0.00 WAT +ATOM 26895 H1 TIP3 6862 -31.599 17.277 -23.010 1.00 0.00 WAT +ATOM 26896 H2 TIP3 6862 -30.434 18.032 -22.349 1.00 0.00 WAT +ATOM 26897 OH2 TIP3 6863 -33.085 24.503 -9.419 1.00 0.00 WAT +ATOM 26898 H1 TIP3 6863 -33.434 24.159 -8.584 1.00 0.00 WAT +ATOM 26899 H2 TIP3 6863 -33.435 25.409 -9.428 1.00 0.00 WAT +ATOM 26900 OH2 TIP3 6864 -29.938 19.131 -20.924 1.00 0.00 WAT +ATOM 26901 H1 TIP3 6864 -29.057 18.970 -20.534 1.00 0.00 WAT +ATOM 26902 H2 TIP3 6864 -29.829 20.008 -21.335 1.00 0.00 WAT +ATOM 26903 OH2 TIP3 6865 -39.737 23.812 -15.009 1.00 0.00 WAT +ATOM 26904 H1 TIP3 6865 -39.093 23.701 -15.728 1.00 0.00 WAT +ATOM 26905 H2 TIP3 6865 -39.642 22.980 -14.515 1.00 0.00 WAT +ATOM 26906 OH2 TIP3 6866 -32.379 25.835 -21.817 1.00 0.00 WAT +ATOM 26907 H1 TIP3 6866 -32.639 26.700 -21.440 1.00 0.00 WAT +ATOM 26908 H2 TIP3 6866 -33.134 25.283 -21.545 1.00 0.00 WAT +ATOM 26909 OH2 TIP3 6867 -42.377 22.300 -9.398 1.00 0.00 WAT +ATOM 26910 H1 TIP3 6867 -42.336 21.659 -8.668 1.00 0.00 WAT +ATOM 26911 H2 TIP3 6867 -42.840 21.777 -10.092 1.00 0.00 WAT +ATOM 26912 OH2 TIP3 6868 -35.399 21.641 -7.657 1.00 0.00 WAT +ATOM 26913 H1 TIP3 6868 -35.802 21.367 -8.501 1.00 0.00 WAT +ATOM 26914 H2 TIP3 6868 -34.474 21.376 -7.801 1.00 0.00 WAT +ATOM 26915 OH2 TIP3 6869 -30.861 27.063 -9.949 1.00 0.00 WAT +ATOM 26916 H1 TIP3 6869 -31.827 27.149 -10.015 1.00 0.00 WAT +ATOM 26917 H2 TIP3 6869 -30.706 27.325 -9.026 1.00 0.00 WAT +ATOM 26918 OH2 TIP3 6870 -25.348 19.115 -21.167 1.00 0.00 WAT +ATOM 26919 H1 TIP3 6870 -25.898 18.914 -21.950 1.00 0.00 WAT +ATOM 26920 H2 TIP3 6870 -25.231 20.075 -21.315 1.00 0.00 WAT +ATOM 26921 OH2 TIP3 6871 -24.912 25.133 -8.354 1.00 0.00 WAT +ATOM 26922 H1 TIP3 6871 -25.847 25.367 -8.546 1.00 0.00 WAT +ATOM 26923 H2 TIP3 6871 -24.552 25.048 -9.246 1.00 0.00 WAT +ATOM 26924 OH2 TIP3 6872 -27.145 27.726 -21.084 1.00 0.00 WAT +ATOM 26925 H1 TIP3 6872 -27.341 26.929 -20.573 1.00 0.00 WAT +ATOM 26926 H2 TIP3 6872 -26.608 27.393 -21.818 1.00 0.00 WAT +ATOM 26927 OH2 TIP3 6873 -29.843 23.046 -13.685 1.00 0.00 WAT +ATOM 26928 H1 TIP3 6873 -30.788 22.916 -13.900 1.00 0.00 WAT +ATOM 26929 H2 TIP3 6873 -29.448 22.298 -14.174 1.00 0.00 WAT +ATOM 26930 OH2 TIP3 6874 -37.261 27.146 -17.673 1.00 0.00 WAT +ATOM 26931 H1 TIP3 6874 -36.858 28.022 -17.785 1.00 0.00 WAT +ATOM 26932 H2 TIP3 6874 -38.186 27.328 -17.883 1.00 0.00 WAT +ATOM 26933 OH2 TIP3 6875 -41.547 22.106 -22.970 1.00 0.00 WAT +ATOM 26934 H1 TIP3 6875 -40.813 22.616 -22.570 1.00 0.00 WAT +ATOM 26935 H2 TIP3 6875 -42.285 22.702 -22.785 1.00 0.00 WAT +ATOM 26936 OH2 TIP3 6876 -35.421 24.844 -18.036 1.00 0.00 WAT +ATOM 26937 H1 TIP3 6876 -35.742 25.751 -17.900 1.00 0.00 WAT +ATOM 26938 H2 TIP3 6876 -36.139 24.330 -17.635 1.00 0.00 WAT +ATOM 26939 OH2 TIP3 6877 -35.259 29.096 -11.698 1.00 0.00 WAT +ATOM 26940 H1 TIP3 6877 -34.713 29.850 -11.977 1.00 0.00 WAT +ATOM 26941 H2 TIP3 6877 -34.647 28.623 -11.112 1.00 0.00 WAT +ATOM 26942 OH2 TIP3 6878 -36.811 30.050 -18.454 1.00 0.00 WAT +ATOM 26943 H1 TIP3 6878 -37.767 30.184 -18.371 1.00 0.00 WAT +ATOM 26944 H2 TIP3 6878 -36.467 30.932 -18.212 1.00 0.00 WAT +ATOM 26945 OH2 TIP3 6879 -31.846 24.844 -12.122 1.00 0.00 WAT +ATOM 26946 H1 TIP3 6879 -32.165 24.596 -11.236 1.00 0.00 WAT +ATOM 26947 H2 TIP3 6879 -31.127 24.208 -12.260 1.00 0.00 WAT +ATOM 26948 OH2 TIP3 6880 -29.684 26.145 -23.209 1.00 0.00 WAT +ATOM 26949 H1 TIP3 6880 -29.270 25.695 -22.450 1.00 0.00 WAT +ATOM 26950 H2 TIP3 6880 -30.617 26.017 -22.966 1.00 0.00 WAT +ATOM 26951 OH2 TIP3 6881 -28.891 29.406 -9.758 1.00 0.00 WAT +ATOM 26952 H1 TIP3 6881 -29.675 28.977 -10.153 1.00 0.00 WAT +ATOM 26953 H2 TIP3 6881 -28.819 30.227 -10.279 1.00 0.00 WAT +ATOM 26954 OH2 TIP3 6882 -24.955 30.409 -22.670 1.00 0.00 WAT +ATOM 26955 H1 TIP3 6882 -24.251 31.046 -22.884 1.00 0.00 WAT +ATOM 26956 H2 TIP3 6882 -25.716 31.018 -22.673 1.00 0.00 WAT +ATOM 26957 OH2 TIP3 6883 -41.034 16.902 -9.956 1.00 0.00 WAT +ATOM 26958 H1 TIP3 6883 -41.851 17.153 -10.434 1.00 0.00 WAT +ATOM 26959 H2 TIP3 6883 -41.223 16.006 -9.624 1.00 0.00 WAT +ATOM 26960 OH2 TIP3 6884 -28.722 24.777 -20.810 1.00 0.00 WAT +ATOM 26961 H1 TIP3 6884 -28.996 24.047 -20.228 1.00 0.00 WAT +ATOM 26962 H2 TIP3 6884 -27.753 24.739 -20.735 1.00 0.00 WAT +ATOM 26963 OH2 TIP3 6885 -41.274 28.566 -11.610 1.00 0.00 WAT +ATOM 26964 H1 TIP3 6885 -41.088 27.624 -11.487 1.00 0.00 WAT +ATOM 26965 H2 TIP3 6885 -40.975 28.916 -10.763 1.00 0.00 WAT +ATOM 26966 OH2 TIP3 6886 -35.444 27.203 -24.628 1.00 0.00 WAT +ATOM 26967 H1 TIP3 6886 -35.158 26.414 -25.124 1.00 0.00 WAT +ATOM 26968 H2 TIP3 6886 -35.873 26.800 -23.854 1.00 0.00 WAT +ATOM 26969 OH2 TIP3 6887 -36.618 26.717 -21.917 1.00 0.00 WAT +ATOM 26970 H1 TIP3 6887 -36.114 26.192 -21.280 1.00 0.00 WAT +ATOM 26971 H2 TIP3 6887 -36.474 27.631 -21.593 1.00 0.00 WAT +ATOM 26972 OH2 TIP3 6888 -39.871 24.136 -21.588 1.00 0.00 WAT +ATOM 26973 H1 TIP3 6888 -40.567 24.532 -21.010 1.00 0.00 WAT +ATOM 26974 H2 TIP3 6888 -39.376 24.941 -21.807 1.00 0.00 WAT +ATOM 26975 OH2 TIP3 6889 -32.092 16.660 -11.461 1.00 0.00 WAT +ATOM 26976 H1 TIP3 6889 -31.430 16.847 -10.779 1.00 0.00 WAT +ATOM 26977 H2 TIP3 6889 -32.583 15.902 -11.084 1.00 0.00 WAT +ATOM 26978 OH2 TIP3 6890 -31.461 16.069 -20.240 1.00 0.00 WAT +ATOM 26979 H1 TIP3 6890 -31.281 16.604 -21.027 1.00 0.00 WAT +ATOM 26980 H2 TIP3 6890 -31.011 16.574 -19.541 1.00 0.00 WAT +ATOM 26981 OH2 TIP3 6891 -33.648 28.343 -21.284 1.00 0.00 WAT +ATOM 26982 H1 TIP3 6891 -34.470 28.830 -21.111 1.00 0.00 WAT +ATOM 26983 H2 TIP3 6891 -33.298 28.814 -22.052 1.00 0.00 WAT +ATOM 26984 OH2 TIP3 6892 -34.046 18.061 -19.291 1.00 0.00 WAT +ATOM 26985 H1 TIP3 6892 -33.294 18.670 -19.147 1.00 0.00 WAT +ATOM 26986 H2 TIP3 6892 -34.343 17.896 -18.375 1.00 0.00 WAT +ATOM 26987 OH2 TIP3 6893 -33.695 18.965 -10.123 1.00 0.00 WAT +ATOM 26988 H1 TIP3 6893 -33.600 19.481 -9.307 1.00 0.00 WAT +ATOM 26989 H2 TIP3 6893 -33.127 18.201 -9.956 1.00 0.00 WAT +ATOM 26990 OH2 TIP3 6894 -33.457 15.081 -18.349 1.00 0.00 WAT +ATOM 26991 H1 TIP3 6894 -33.654 15.769 -17.686 1.00 0.00 WAT +ATOM 26992 H2 TIP3 6894 -32.735 15.501 -18.856 1.00 0.00 WAT +ATOM 26993 OH2 TIP3 6895 -36.444 29.418 -21.289 1.00 0.00 WAT +ATOM 26994 H1 TIP3 6895 -36.518 30.230 -21.834 1.00 0.00 WAT +ATOM 26995 H2 TIP3 6895 -36.585 29.765 -20.389 1.00 0.00 WAT +ATOM 26996 OH2 TIP3 6896 -37.740 16.099 -21.785 1.00 0.00 WAT +ATOM 26997 H1 TIP3 6896 -37.658 16.888 -21.220 1.00 0.00 WAT +ATOM 26998 H2 TIP3 6896 -36.933 15.606 -21.532 1.00 0.00 WAT +ATOM 26999 OH2 TIP3 6897 -27.250 17.100 -9.145 1.00 0.00 WAT +ATOM 27000 H1 TIP3 6897 -28.204 17.032 -9.319 1.00 0.00 WAT +ATOM 27001 H2 TIP3 6897 -26.908 16.602 -9.898 1.00 0.00 WAT +ATOM 27002 OH2 TIP3 6898 -28.836 20.780 -15.194 1.00 0.00 WAT +ATOM 27003 H1 TIP3 6898 -29.680 20.369 -15.465 1.00 0.00 WAT +ATOM 27004 H2 TIP3 6898 -28.390 20.032 -14.737 1.00 0.00 WAT +ATOM 27005 OH2 TIP3 6899 -39.314 26.988 -22.756 1.00 0.00 WAT +ATOM 27006 H1 TIP3 6899 -38.552 27.424 -22.341 1.00 0.00 WAT +ATOM 27007 H2 TIP3 6899 -38.851 26.428 -23.396 1.00 0.00 WAT +ATOM 27008 OH2 TIP3 6900 -41.140 19.113 -23.586 1.00 0.00 WAT +ATOM 27009 H1 TIP3 6900 -41.059 20.060 -23.389 1.00 0.00 WAT +ATOM 27010 H2 TIP3 6900 -41.945 19.048 -24.106 1.00 0.00 WAT +ATOM 27011 OH2 TIP3 6901 -27.831 29.624 -13.849 1.00 0.00 WAT +ATOM 27012 H1 TIP3 6901 -28.076 30.423 -14.357 1.00 0.00 WAT +ATOM 27013 H2 TIP3 6901 -26.931 29.871 -13.579 1.00 0.00 WAT +ATOM 27014 OH2 TIP3 6902 -40.235 14.086 -14.887 1.00 0.00 WAT +ATOM 27015 H1 TIP3 6902 -40.591 14.074 -15.793 1.00 0.00 WAT +ATOM 27016 H2 TIP3 6902 -40.673 13.303 -14.491 1.00 0.00 WAT +ATOM 27017 OH2 TIP3 6903 -41.365 27.744 -18.604 1.00 0.00 WAT +ATOM 27018 H1 TIP3 6903 -42.264 28.100 -18.527 1.00 0.00 WAT +ATOM 27019 H2 TIP3 6903 -41.044 28.171 -19.408 1.00 0.00 WAT +ATOM 27020 OH2 TIP3 6904 -42.134 30.527 -7.381 1.00 0.00 WAT +ATOM 27021 H1 TIP3 6904 -41.506 30.524 -6.635 1.00 0.00 WAT +ATOM 27022 H2 TIP3 6904 -42.173 29.565 -7.517 1.00 0.00 WAT +ATOM 27023 OH2 TIP3 6905 -37.244 29.651 -5.647 1.00 0.00 WAT +ATOM 27024 H1 TIP3 6905 -36.566 28.988 -5.447 1.00 0.00 WAT +ATOM 27025 H2 TIP3 6905 -37.505 29.388 -6.544 1.00 0.00 WAT +ATOM 27026 OH2 TIP3 6906 -33.225 28.902 -24.121 1.00 0.00 WAT +ATOM 27027 H1 TIP3 6906 -33.985 28.289 -24.228 1.00 0.00 WAT +ATOM 27028 H2 TIP3 6906 -32.516 28.362 -24.507 1.00 0.00 WAT +ATOM 27029 OH2 TIP3 6907 -30.772 27.898 -7.090 1.00 0.00 WAT +ATOM 27030 H1 TIP3 6907 -31.193 27.112 -6.695 1.00 0.00 WAT +ATOM 27031 H2 TIP3 6907 -30.113 28.141 -6.416 1.00 0.00 WAT +ATOM 27032 OH2 TIP3 6908 -28.603 28.814 -24.018 1.00 0.00 WAT +ATOM 27033 H1 TIP3 6908 -28.436 27.999 -23.518 1.00 0.00 WAT +ATOM 27034 H2 TIP3 6908 -27.817 28.868 -24.591 1.00 0.00 WAT +ATOM 27035 OH2 TIP3 6909 -41.992 24.542 -6.768 1.00 0.00 WAT +ATOM 27036 H1 TIP3 6909 -41.902 23.656 -7.149 1.00 0.00 WAT +ATOM 27037 H2 TIP3 6909 -42.872 24.812 -7.074 1.00 0.00 WAT +ATOM 27038 OH2 TIP3 6910 -37.809 24.629 -24.291 1.00 0.00 WAT +ATOM 27039 H1 TIP3 6910 -37.624 24.050 -23.533 1.00 0.00 WAT +ATOM 27040 H2 TIP3 6910 -36.951 24.606 -24.756 1.00 0.00 WAT +ATOM 27041 OH2 TIP3 6911 -35.367 24.409 -6.979 1.00 0.00 WAT +ATOM 27042 H1 TIP3 6911 -35.701 24.744 -7.829 1.00 0.00 WAT +ATOM 27043 H2 TIP3 6911 -35.320 23.442 -7.130 1.00 0.00 WAT +ATOM 27044 OH2 TIP3 6912 -32.562 25.963 -24.678 1.00 0.00 WAT +ATOM 27045 H1 TIP3 6912 -32.612 25.921 -23.707 1.00 0.00 WAT +ATOM 27046 H2 TIP3 6912 -32.611 25.007 -24.892 1.00 0.00 WAT +ATOM 27047 OH2 TIP3 6913 -29.986 24.011 -9.598 1.00 0.00 WAT +ATOM 27048 H1 TIP3 6913 -29.250 24.632 -9.696 1.00 0.00 WAT +ATOM 27049 H2 TIP3 6913 -30.744 24.621 -9.587 1.00 0.00 WAT +ATOM 27050 OH2 TIP3 6914 -41.342 21.295 -6.979 1.00 0.00 WAT +ATOM 27051 H1 TIP3 6914 -40.564 20.720 -7.095 1.00 0.00 WAT +ATOM 27052 H2 TIP3 6914 -41.239 21.566 -6.055 1.00 0.00 WAT +ATOM 27053 OH2 TIP3 6915 -36.735 22.730 -21.953 1.00 0.00 WAT +ATOM 27054 H1 TIP3 6915 -37.348 22.226 -21.395 1.00 0.00 WAT +ATOM 27055 H2 TIP3 6915 -36.435 22.041 -22.580 1.00 0.00 WAT +ATOM 27056 OH2 TIP3 6916 -37.471 20.511 -9.643 1.00 0.00 WAT +ATOM 27057 H1 TIP3 6916 -38.071 21.271 -9.528 1.00 0.00 WAT +ATOM 27058 H2 TIP3 6916 -36.873 20.833 -10.339 1.00 0.00 WAT +ATOM 27059 OH2 TIP3 6917 -35.762 20.737 -23.702 1.00 0.00 WAT +ATOM 27060 H1 TIP3 6917 -35.788 20.828 -24.671 1.00 0.00 WAT +ATOM 27061 H2 TIP3 6917 -34.802 20.703 -23.536 1.00 0.00 WAT +ATOM 27062 OH2 TIP3 6918 -32.192 23.200 -6.149 1.00 0.00 WAT +ATOM 27063 H1 TIP3 6918 -31.291 23.009 -6.448 1.00 0.00 WAT +ATOM 27064 H2 TIP3 6918 -32.460 22.351 -5.773 1.00 0.00 WAT +ATOM 27065 OH2 TIP3 6919 -26.247 23.246 -24.368 1.00 0.00 WAT +ATOM 27066 H1 TIP3 6919 -26.339 22.831 -25.238 1.00 0.00 WAT +ATOM 27067 H2 TIP3 6919 -26.349 24.194 -24.609 1.00 0.00 WAT +ATOM 27068 OH2 TIP3 6920 -36.867 17.798 -8.543 1.00 0.00 WAT +ATOM 27069 H1 TIP3 6920 -36.837 17.119 -9.242 1.00 0.00 WAT +ATOM 27070 H2 TIP3 6920 -37.098 18.592 -9.057 1.00 0.00 WAT +ATOM 27071 OH2 TIP3 6921 -36.574 16.263 -11.095 1.00 0.00 WAT +ATOM 27072 H1 TIP3 6921 -36.068 16.756 -11.765 1.00 0.00 WAT +ATOM 27073 H2 TIP3 6921 -37.486 16.268 -11.458 1.00 0.00 WAT +ATOM 27074 OH2 TIP3 6922 -34.972 21.713 -10.690 1.00 0.00 WAT +ATOM 27075 H1 TIP3 6922 -34.170 21.631 -11.223 1.00 0.00 WAT +ATOM 27076 H2 TIP3 6922 -35.331 22.564 -11.009 1.00 0.00 WAT +ATOM 27077 OH2 TIP3 6923 -30.438 19.405 -5.786 1.00 0.00 WAT +ATOM 27078 H1 TIP3 6923 -30.155 18.494 -5.956 1.00 0.00 WAT +ATOM 27079 H2 TIP3 6923 -29.592 19.876 -5.851 1.00 0.00 WAT +ATOM 27080 OH2 TIP3 6924 -29.494 22.418 -7.395 1.00 0.00 WAT +ATOM 27081 H1 TIP3 6924 -29.812 23.018 -8.100 1.00 0.00 WAT +ATOM 27082 H2 TIP3 6924 -28.619 22.182 -7.755 1.00 0.00 WAT +ATOM 27083 OH2 TIP3 6925 -38.753 19.657 -6.762 1.00 0.00 WAT +ATOM 27084 H1 TIP3 6925 -39.291 18.844 -6.771 1.00 0.00 WAT +ATOM 27085 H2 TIP3 6925 -37.967 19.374 -7.253 1.00 0.00 WAT +ATOM 27086 OH2 TIP3 6926 -35.831 13.582 -10.768 1.00 0.00 WAT +ATOM 27087 H1 TIP3 6926 -36.037 14.528 -10.918 1.00 0.00 WAT +ATOM 27088 H2 TIP3 6926 -36.536 13.147 -11.287 1.00 0.00 WAT +ATOM 27089 OH2 TIP3 6927 -34.565 18.146 -6.914 1.00 0.00 WAT +ATOM 27090 H1 TIP3 6927 -35.022 17.916 -6.084 1.00 0.00 WAT +ATOM 27091 H2 TIP3 6927 -35.297 17.954 -7.538 1.00 0.00 WAT +ATOM 27092 OH2 TIP3 6928 -31.962 17.160 -8.037 1.00 0.00 WAT +ATOM 27093 H1 TIP3 6928 -32.894 17.183 -7.756 1.00 0.00 WAT +ATOM 27094 H2 TIP3 6928 -31.576 16.580 -7.363 1.00 0.00 WAT +ATOM 27095 OH2 TIP3 6929 -30.269 16.025 -5.640 1.00 0.00 WAT +ATOM 27096 H1 TIP3 6929 -30.262 15.081 -5.907 1.00 0.00 WAT +ATOM 27097 H2 TIP3 6929 -30.945 16.034 -4.949 1.00 0.00 WAT +ATOM 27098 OH2 TIP3 6930 -40.083 17.117 -6.940 1.00 0.00 WAT +ATOM 27099 H1 TIP3 6930 -40.164 16.395 -7.585 1.00 0.00 WAT +ATOM 27100 H2 TIP3 6930 -40.311 16.666 -6.106 1.00 0.00 WAT +ATOM 27101 OH2 TIP3 6931 -35.939 13.121 -7.914 1.00 0.00 WAT +ATOM 27102 H1 TIP3 6931 -35.411 12.306 -7.863 1.00 0.00 WAT +ATOM 27103 H2 TIP3 6931 -36.005 13.231 -8.882 1.00 0.00 WAT +ATOM 27104 OH2 TIP3 6932 -34.941 15.029 -6.102 1.00 0.00 WAT +ATOM 27105 H1 TIP3 6932 -35.234 14.375 -6.769 1.00 0.00 WAT +ATOM 27106 H2 TIP3 6932 -35.725 15.588 -6.005 1.00 0.00 WAT +ATOM 27107 OH2 TIP3 6933 -35.996 31.976 -22.599 1.00 0.00 WAT +ATOM 27108 H1 TIP3 6933 -35.040 32.082 -22.490 1.00 0.00 WAT +ATOM 27109 H2 TIP3 6933 -36.128 32.412 -23.450 1.00 0.00 WAT +ATOM 27110 OH2 TIP3 6934 -41.992 26.872 -23.526 1.00 0.00 WAT +ATOM 27111 H1 TIP3 6934 -41.218 26.818 -22.931 1.00 0.00 WAT +ATOM 27112 H2 TIP3 6934 -42.169 25.941 -23.728 1.00 0.00 WAT +ATOM 27113 OH2 TIP3 6935 -42.729 29.640 -16.402 1.00 0.00 WAT +ATOM 27114 H1 TIP3 6935 -42.759 28.759 -15.987 1.00 0.00 WAT +ATOM 27115 H2 TIP3 6935 -42.437 30.165 -15.641 1.00 0.00 WAT +ATOM 27116 OH2 TIP3 6936 -25.167 30.811 -13.346 1.00 0.00 WAT +ATOM 27117 H1 TIP3 6936 -24.993 30.810 -12.392 1.00 0.00 WAT +ATOM 27118 H2 TIP3 6936 -24.331 31.165 -13.683 1.00 0.00 WAT +ATOM 27119 OH2 TIP3 6937 -25.270 30.296 -10.450 1.00 0.00 WAT +ATOM 27120 H1 TIP3 6937 -25.747 29.535 -10.822 1.00 0.00 WAT +ATOM 27121 H2 TIP3 6937 -24.692 29.847 -9.814 1.00 0.00 WAT +ATOM 27122 OH2 TIP3 6938 -27.261 25.712 -6.170 1.00 0.00 WAT +ATOM 27123 H1 TIP3 6938 -28.145 25.810 -5.776 1.00 0.00 WAT +ATOM 27124 H2 TIP3 6938 -26.800 26.510 -5.860 1.00 0.00 WAT +ATOM 27125 OH2 TIP3 6939 -25.875 24.615 -20.424 1.00 0.00 WAT +ATOM 27126 H1 TIP3 6939 -24.970 24.957 -20.290 1.00 0.00 WAT +ATOM 27127 H2 TIP3 6939 -25.935 23.973 -19.697 1.00 0.00 WAT +ATOM 27128 OH2 TIP3 6940 -25.341 22.568 -18.380 1.00 0.00 WAT +ATOM 27129 H1 TIP3 6940 -26.073 22.006 -18.053 1.00 0.00 WAT +ATOM 27130 H2 TIP3 6940 -24.760 22.643 -17.605 1.00 0.00 WAT +ATOM 27131 OH2 TIP3 6941 -26.996 27.928 -11.202 1.00 0.00 WAT +ATOM 27132 H1 TIP3 6941 -27.672 28.433 -10.711 1.00 0.00 WAT +ATOM 27133 H2 TIP3 6941 -27.478 27.681 -12.014 1.00 0.00 WAT +ATOM 27134 OH2 TIP3 6942 -25.169 22.025 -21.862 1.00 0.00 WAT +ATOM 27135 H1 TIP3 6942 -25.664 22.286 -22.661 1.00 0.00 WAT +ATOM 27136 H2 TIP3 6942 -25.274 22.819 -21.316 1.00 0.00 WAT +ATOM 27137 OH2 TIP3 6943 -26.863 19.583 -23.612 1.00 0.00 WAT +ATOM 27138 H1 TIP3 6943 -26.621 20.180 -24.333 1.00 0.00 WAT +ATOM 27139 H2 TIP3 6943 -27.110 18.765 -24.087 1.00 0.00 WAT +ATOM 27140 OH2 TIP3 6944 -27.425 20.731 -17.636 1.00 0.00 WAT +ATOM 27141 H1 TIP3 6944 -27.503 19.782 -17.829 1.00 0.00 WAT +ATOM 27142 H2 TIP3 6944 -27.841 20.795 -16.752 1.00 0.00 WAT +ATOM 27143 OH2 TIP3 6945 -42.627 23.079 -13.734 1.00 0.00 WAT +ATOM 27144 H1 TIP3 6945 -42.361 23.244 -14.649 1.00 0.00 WAT +ATOM 27145 H2 TIP3 6945 -41.787 22.770 -13.338 1.00 0.00 WAT +ATOM 27146 OH2 TIP3 6946 -26.808 22.598 -8.516 1.00 0.00 WAT +ATOM 27147 H1 TIP3 6946 -26.096 21.960 -8.313 1.00 0.00 WAT +ATOM 27148 H2 TIP3 6946 -26.330 23.432 -8.608 1.00 0.00 WAT +ATOM 27149 OH2 TIP3 6947 -25.230 20.594 -7.407 1.00 0.00 WAT +ATOM 27150 H1 TIP3 6947 -26.072 20.109 -7.534 1.00 0.00 WAT +ATOM 27151 H2 TIP3 6947 -24.597 19.854 -7.370 1.00 0.00 WAT +ATOM 27152 OH2 TIP3 6948 -27.401 16.929 -24.413 1.00 0.00 WAT +ATOM 27153 H1 TIP3 6948 -26.823 16.427 -23.813 1.00 0.00 WAT +ATOM 27154 H2 TIP3 6948 -28.203 16.390 -24.466 1.00 0.00 WAT +ATOM 27155 OH2 TIP3 6949 -27.581 18.221 -19.446 1.00 0.00 WAT +ATOM 27156 H1 TIP3 6949 -27.361 17.265 -19.402 1.00 0.00 WAT +ATOM 27157 H2 TIP3 6949 -26.780 18.563 -19.881 1.00 0.00 WAT +ATOM 27158 OH2 TIP3 6950 -27.321 18.759 -14.015 1.00 0.00 WAT +ATOM 27159 H1 TIP3 6950 -26.343 18.826 -14.022 1.00 0.00 WAT +ATOM 27160 H2 TIP3 6950 -27.474 18.719 -13.055 1.00 0.00 WAT +ATOM 27161 OH2 TIP3 6951 -27.143 19.571 -11.214 1.00 0.00 WAT +ATOM 27162 H1 TIP3 6951 -28.023 19.880 -10.932 1.00 0.00 WAT +ATOM 27163 H2 TIP3 6951 -26.682 20.399 -11.396 1.00 0.00 WAT +ATOM 27164 OH2 TIP3 6952 -42.805 18.195 -7.405 1.00 0.00 WAT +ATOM 27165 H1 TIP3 6952 -41.974 17.760 -7.647 1.00 0.00 WAT +ATOM 27166 H2 TIP3 6952 -43.457 17.478 -7.418 1.00 0.00 WAT +ATOM 27167 OH2 TIP3 6953 -27.123 15.420 -19.490 1.00 0.00 WAT +ATOM 27168 H1 TIP3 6953 -27.011 15.069 -18.588 1.00 0.00 WAT +ATOM 27169 H2 TIP3 6953 -27.916 14.925 -19.785 1.00 0.00 WAT +ATOM 27170 OH2 TIP3 6954 -41.960 16.741 -14.363 1.00 0.00 WAT +ATOM 27171 H1 TIP3 6954 -41.655 15.828 -14.449 1.00 0.00 WAT +ATOM 27172 H2 TIP3 6954 -41.131 17.244 -14.276 1.00 0.00 WAT +ATOM 27173 OH2 TIP3 6955 -43.483 19.567 -13.772 1.00 0.00 WAT +ATOM 27174 H1 TIP3 6955 -43.263 18.830 -14.360 1.00 0.00 WAT +ATOM 27175 H2 TIP3 6955 -42.807 20.213 -14.002 1.00 0.00 WAT +ATOM 27176 OH2 TIP3 6956 -25.154 15.900 -22.815 1.00 0.00 WAT +ATOM 27177 H1 TIP3 6956 -24.852 15.096 -23.271 1.00 0.00 WAT +ATOM 27178 H2 TIP3 6956 -24.334 16.416 -22.749 1.00 0.00 WAT +ATOM 27179 OH2 TIP3 6957 -43.134 15.420 -20.125 1.00 0.00 WAT +ATOM 27180 H1 TIP3 6957 -43.996 15.720 -20.447 1.00 0.00 WAT +ATOM 27181 H2 TIP3 6957 -42.564 16.175 -20.382 1.00 0.00 WAT +ATOM 27182 OH2 TIP3 6958 -28.274 30.863 -17.528 1.00 0.00 WAT +ATOM 27183 H1 TIP3 6958 -27.806 30.662 -18.358 1.00 0.00 WAT +ATOM 27184 H2 TIP3 6958 -27.587 31.309 -17.016 1.00 0.00 WAT +ATOM 27185 OH2 TIP3 6959 -42.960 14.304 -11.758 1.00 0.00 WAT +ATOM 27186 H1 TIP3 6959 -43.598 14.312 -11.009 1.00 0.00 WAT +ATOM 27187 H2 TIP3 6959 -43.323 14.945 -12.386 1.00 0.00 WAT +ATOM 27188 OH2 TIP3 6960 -41.160 27.936 -7.034 1.00 0.00 WAT +ATOM 27189 H1 TIP3 6960 -41.698 27.327 -7.548 1.00 0.00 WAT +ATOM 27190 H2 TIP3 6960 -41.324 27.603 -6.121 1.00 0.00 WAT +ATOM 27191 OH2 TIP3 6961 -38.014 28.599 -11.117 1.00 0.00 WAT +ATOM 27192 H1 TIP3 6961 -38.343 29.431 -11.501 1.00 0.00 WAT +ATOM 27193 H2 TIP3 6961 -37.060 28.694 -11.309 1.00 0.00 WAT +ATOM 27194 OH2 TIP3 6962 -33.507 29.876 -8.135 1.00 0.00 WAT +ATOM 27195 H1 TIP3 6962 -33.383 29.733 -7.183 1.00 0.00 WAT +ATOM 27196 H2 TIP3 6962 -32.683 30.347 -8.374 1.00 0.00 WAT +ATOM 27197 OH2 TIP3 6963 -31.223 31.349 -8.892 1.00 0.00 WAT +ATOM 27198 H1 TIP3 6963 -30.538 30.697 -9.094 1.00 0.00 WAT +ATOM 27199 H2 TIP3 6963 -30.926 31.671 -8.018 1.00 0.00 WAT +ATOM 27200 OH2 TIP3 6964 -26.199 14.169 -9.800 1.00 0.00 WAT +ATOM 27201 H1 TIP3 6964 -27.009 14.354 -10.291 1.00 0.00 WAT +ATOM 27202 H2 TIP3 6964 -25.941 13.318 -10.161 1.00 0.00 WAT +ATOM 27203 OH2 TIP3 6965 -40.693 31.650 -10.888 1.00 0.00 WAT +ATOM 27204 H1 TIP3 6965 -41.387 32.139 -11.372 1.00 0.00 WAT +ATOM 27205 H2 TIP3 6965 -41.008 31.732 -9.981 1.00 0.00 WAT +ATOM 27206 OH2 TIP3 6966 -38.178 31.319 -12.244 1.00 0.00 WAT +ATOM 27207 H1 TIP3 6966 -39.047 31.501 -11.830 1.00 0.00 WAT +ATOM 27208 H2 TIP3 6966 -38.149 31.992 -12.947 1.00 0.00 WAT +ATOM 27209 OH2 TIP3 6967 -33.403 31.315 -12.700 1.00 0.00 WAT +ATOM 27210 H1 TIP3 6967 -33.797 31.760 -13.471 1.00 0.00 WAT +ATOM 27211 H2 TIP3 6967 -33.334 32.057 -12.068 1.00 0.00 WAT +ATOM 27212 OH2 TIP3 6968 -31.083 30.024 -11.790 1.00 0.00 WAT +ATOM 27213 H1 TIP3 6968 -31.931 30.395 -12.102 1.00 0.00 WAT +ATOM 27214 H2 TIP3 6968 -30.523 30.814 -11.787 1.00 0.00 WAT +ATOM 27215 OH2 TIP3 6969 -28.547 31.754 -11.597 1.00 0.00 WAT +ATOM 27216 H1 TIP3 6969 -28.599 32.715 -11.772 1.00 0.00 WAT +ATOM 27217 H2 TIP3 6969 -28.266 31.437 -12.471 1.00 0.00 WAT +ATOM 27218 OH2 TIP3 6970 -41.247 30.409 -13.910 1.00 0.00 WAT +ATOM 27219 H1 TIP3 6970 -41.348 29.950 -13.051 1.00 0.00 WAT +ATOM 27220 H2 TIP3 6970 -40.493 29.924 -14.290 1.00 0.00 WAT +ATOM 27221 OH2 TIP3 6971 -39.095 29.129 -15.414 1.00 0.00 WAT +ATOM 27222 H1 TIP3 6971 -39.268 28.208 -15.126 1.00 0.00 WAT +ATOM 27223 H2 TIP3 6971 -38.196 29.281 -15.067 1.00 0.00 WAT +ATOM 27224 OH2 TIP3 6972 -36.282 29.560 -14.544 1.00 0.00 WAT +ATOM 27225 H1 TIP3 6972 -36.131 28.622 -14.761 1.00 0.00 WAT +ATOM 27226 H2 TIP3 6972 -36.243 29.525 -13.576 1.00 0.00 WAT +ATOM 27227 OH2 TIP3 6973 -32.972 15.448 -15.234 1.00 0.00 WAT +ATOM 27228 H1 TIP3 6973 -33.658 14.771 -15.072 1.00 0.00 WAT +ATOM 27229 H2 TIP3 6973 -32.370 14.975 -15.829 1.00 0.00 WAT +ATOM 27230 OH2 TIP3 6974 -27.958 13.513 -14.766 1.00 0.00 WAT +ATOM 27231 H1 TIP3 6974 -27.254 13.972 -15.255 1.00 0.00 WAT +ATOM 27232 H2 TIP3 6974 -28.749 13.725 -15.293 1.00 0.00 WAT +ATOM 27233 OH2 TIP3 6975 -25.931 14.553 -16.920 1.00 0.00 WAT +ATOM 27234 H1 TIP3 6975 -25.201 14.148 -17.422 1.00 0.00 WAT +ATOM 27235 H2 TIP3 6975 -25.612 15.465 -16.792 1.00 0.00 WAT +ATOM 27236 OH2 TIP3 6976 -41.059 14.034 -17.730 1.00 0.00 WAT +ATOM 27237 H1 TIP3 6976 -41.806 13.710 -18.247 1.00 0.00 WAT +ATOM 27238 H2 TIP3 6976 -40.450 13.274 -17.791 1.00 0.00 WAT +ATOM 27239 OH2 TIP3 6977 -41.837 13.630 -21.918 1.00 0.00 WAT +ATOM 27240 H1 TIP3 6977 -41.306 14.303 -22.385 1.00 0.00 WAT +ATOM 27241 H2 TIP3 6977 -42.330 14.185 -21.283 1.00 0.00 WAT +ATOM 27242 OH2 TIP3 6978 -36.162 14.017 -17.792 1.00 0.00 WAT +ATOM 27243 H1 TIP3 6978 -35.233 14.267 -17.934 1.00 0.00 WAT +ATOM 27244 H2 TIP3 6978 -36.177 13.894 -16.835 1.00 0.00 WAT +ATOM 27245 OH2 TIP3 6979 -30.549 14.023 -16.380 1.00 0.00 WAT +ATOM 27246 H1 TIP3 6979 -30.286 13.836 -17.291 1.00 0.00 WAT +ATOM 27247 H2 TIP3 6979 -30.951 13.172 -16.117 1.00 0.00 WAT +ATOM 27248 OH2 TIP3 6980 -29.439 14.023 -20.415 1.00 0.00 WAT +ATOM 27249 H1 TIP3 6980 -30.268 14.521 -20.546 1.00 0.00 WAT +ATOM 27250 H2 TIP3 6980 -29.786 13.131 -20.236 1.00 0.00 WAT +ATOM 27251 OH2 TIP3 6981 -41.887 29.652 -20.837 1.00 0.00 WAT +ATOM 27252 H1 TIP3 6981 -42.494 29.469 -21.562 1.00 0.00 WAT +ATOM 27253 H2 TIP3 6981 -41.827 30.616 -20.864 1.00 0.00 WAT +ATOM 27254 OH2 TIP3 6982 -40.054 15.532 -23.351 1.00 0.00 WAT +ATOM 27255 H1 TIP3 6982 -39.484 14.927 -23.854 1.00 0.00 WAT +ATOM 27256 H2 TIP3 6982 -39.436 15.820 -22.649 1.00 0.00 WAT +ATOM 27257 OH2 TIP3 6983 -34.984 15.664 -20.753 1.00 0.00 WAT +ATOM 27258 H1 TIP3 6983 -34.658 15.065 -20.063 1.00 0.00 WAT +ATOM 27259 H2 TIP3 6983 -34.781 16.522 -20.346 1.00 0.00 WAT +ATOM 27260 OH2 TIP3 6984 -32.954 31.434 -22.512 1.00 0.00 WAT +ATOM 27261 H1 TIP3 6984 -31.980 31.452 -22.559 1.00 0.00 WAT +ATOM 27262 H2 TIP3 6984 -33.148 30.776 -23.200 1.00 0.00 WAT +ATOM 27263 OH2 TIP3 6985 -26.466 30.465 -19.916 1.00 0.00 WAT +ATOM 27264 H1 TIP3 6985 -26.680 29.628 -20.375 1.00 0.00 WAT +ATOM 27265 H2 TIP3 6985 -26.457 31.088 -20.662 1.00 0.00 WAT +ATOM 27266 OH2 TIP3 6986 -40.789 14.430 -8.158 1.00 0.00 WAT +ATOM 27267 H1 TIP3 6986 -41.252 13.665 -7.777 1.00 0.00 WAT +ATOM 27268 H2 TIP3 6986 -39.877 14.257 -7.866 1.00 0.00 WAT +ATOM 27269 OH2 TIP3 6987 -38.418 13.798 -6.390 1.00 0.00 WAT +ATOM 27270 H1 TIP3 6987 -37.612 13.424 -6.798 1.00 0.00 WAT +ATOM 27271 H2 TIP3 6987 -38.784 13.008 -5.948 1.00 0.00 WAT +ATOM 27272 OH2 TIP3 6988 -40.120 30.646 -23.861 1.00 0.00 WAT +ATOM 27273 H1 TIP3 6988 -40.403 30.824 -22.953 1.00 0.00 WAT +ATOM 27274 H2 TIP3 6988 -39.414 29.990 -23.730 1.00 0.00 WAT +ATOM 27275 OH2 TIP3 6989 -30.116 13.219 -6.212 1.00 0.00 WAT +ATOM 27276 H1 TIP3 6989 -30.157 12.643 -5.427 1.00 0.00 WAT +ATOM 27277 H2 TIP3 6989 -29.242 12.966 -6.576 1.00 0.00 WAT +ATOM 27278 OH2 TIP3 6990 -26.941 29.224 -7.556 1.00 0.00 WAT +ATOM 27279 H1 TIP3 6990 -27.687 29.043 -8.155 1.00 0.00 WAT +ATOM 27280 H2 TIP3 6990 -27.104 30.164 -7.345 1.00 0.00 WAT +ATOM 27281 OH2 TIP3 6991 -12.753 22.896 -17.408 1.00 0.00 WAT +ATOM 27282 H1 TIP3 6991 -12.748 23.862 -17.300 1.00 0.00 WAT +ATOM 27283 H2 TIP3 6991 -13.517 22.779 -17.989 1.00 0.00 WAT +ATOM 27284 OH2 TIP3 6992 -13.911 22.338 -14.332 1.00 0.00 WAT +ATOM 27285 H1 TIP3 6992 -13.892 21.762 -13.553 1.00 0.00 WAT +ATOM 27286 H2 TIP3 6992 -14.157 21.718 -15.034 1.00 0.00 WAT +ATOM 27287 OH2 TIP3 6993 -21.674 22.009 -12.759 1.00 0.00 WAT +ATOM 27288 H1 TIP3 6993 -21.684 21.232 -12.177 1.00 0.00 WAT +ATOM 27289 H2 TIP3 6993 -20.912 22.486 -12.404 1.00 0.00 WAT +ATOM 27290 OH2 TIP3 6994 -10.212 25.071 -16.021 1.00 0.00 WAT +ATOM 27291 H1 TIP3 6994 -10.586 24.374 -15.467 1.00 0.00 WAT +ATOM 27292 H2 TIP3 6994 -9.938 25.715 -15.353 1.00 0.00 WAT +ATOM 27293 OH2 TIP3 6995 -20.786 26.436 -14.216 1.00 0.00 WAT +ATOM 27294 H1 TIP3 6995 -20.627 25.497 -14.424 1.00 0.00 WAT +ATOM 27295 H2 TIP3 6995 -19.903 26.658 -13.873 1.00 0.00 WAT +ATOM 27296 OH2 TIP3 6996 -23.788 20.047 -18.749 1.00 0.00 WAT +ATOM 27297 H1 TIP3 6996 -24.268 20.888 -18.774 1.00 0.00 WAT +ATOM 27298 H2 TIP3 6996 -24.427 19.451 -19.161 1.00 0.00 WAT +ATOM 27299 OH2 TIP3 6997 -23.163 22.665 -16.436 1.00 0.00 WAT +ATOM 27300 H1 TIP3 6997 -23.028 21.758 -16.084 1.00 0.00 WAT +ATOM 27301 H2 TIP3 6997 -22.509 22.658 -17.150 1.00 0.00 WAT +ATOM 27302 OH2 TIP3 6998 -13.235 30.365 -15.492 1.00 0.00 WAT +ATOM 27303 H1 TIP3 6998 -12.546 29.737 -15.776 1.00 0.00 WAT +ATOM 27304 H2 TIP3 6998 -13.404 30.091 -14.583 1.00 0.00 WAT +ATOM 27305 OH2 TIP3 6999 -15.405 24.851 -13.766 1.00 0.00 WAT +ATOM 27306 H1 TIP3 6999 -15.076 24.132 -14.333 1.00 0.00 WAT +ATOM 27307 H2 TIP3 6999 -14.590 25.018 -13.255 1.00 0.00 WAT +ATOM 27308 OH2 TIP3 7000 -6.846 16.375 -12.808 1.00 0.00 WAT +ATOM 27309 H1 TIP3 7000 -6.472 16.900 -12.097 1.00 0.00 WAT +ATOM 27310 H2 TIP3 7000 -6.215 16.525 -13.522 1.00 0.00 WAT +ATOM 27311 OH2 TIP3 7001 -12.166 19.189 -13.267 1.00 0.00 WAT +ATOM 27312 H1 TIP3 7001 -11.895 18.258 -13.220 1.00 0.00 WAT +ATOM 27313 H2 TIP3 7001 -12.197 19.332 -14.226 1.00 0.00 WAT +ATOM 27314 OH2 TIP3 7002 -19.157 17.323 -16.256 1.00 0.00 WAT +ATOM 27315 H1 TIP3 7002 -19.016 18.161 -16.746 1.00 0.00 WAT +ATOM 27316 H2 TIP3 7002 -19.528 16.775 -16.976 1.00 0.00 WAT +ATOM 27317 OH2 TIP3 7003 -11.277 17.348 -17.875 1.00 0.00 WAT +ATOM 27318 H1 TIP3 7003 -10.710 16.937 -17.183 1.00 0.00 WAT +ATOM 27319 H2 TIP3 7003 -10.605 17.799 -18.408 1.00 0.00 WAT +ATOM 27320 OH2 TIP3 7004 -22.477 19.927 -15.695 1.00 0.00 WAT +ATOM 27321 H1 TIP3 7004 -21.841 19.423 -15.161 1.00 0.00 WAT +ATOM 27322 H2 TIP3 7004 -22.405 19.471 -16.554 1.00 0.00 WAT +ATOM 27323 OH2 TIP3 7005 -17.129 21.320 -16.159 1.00 0.00 WAT +ATOM 27324 H1 TIP3 7005 -16.386 20.787 -15.812 1.00 0.00 WAT +ATOM 27325 H2 TIP3 7005 -17.588 20.666 -16.719 1.00 0.00 WAT +ATOM 27326 OH2 TIP3 7006 -20.387 16.317 -11.950 1.00 0.00 WAT +ATOM 27327 H1 TIP3 7006 -20.626 16.932 -12.667 1.00 0.00 WAT +ATOM 27328 H2 TIP3 7006 -21.136 16.423 -11.353 1.00 0.00 WAT +ATOM 27329 OH2 TIP3 7007 -12.856 25.734 -18.633 1.00 0.00 WAT +ATOM 27330 H1 TIP3 7007 -13.135 25.552 -19.535 1.00 0.00 WAT +ATOM 27331 H2 TIP3 7007 -13.280 26.592 -18.451 1.00 0.00 WAT +ATOM 27332 OH2 TIP3 7008 -17.408 23.867 -11.907 1.00 0.00 WAT +ATOM 27333 H1 TIP3 7008 -18.139 24.475 -11.668 1.00 0.00 WAT +ATOM 27334 H2 TIP3 7008 -16.772 24.467 -12.339 1.00 0.00 WAT +ATOM 27335 OH2 TIP3 7009 -9.480 16.605 -15.815 1.00 0.00 WAT +ATOM 27336 H1 TIP3 7009 -9.784 15.926 -15.194 1.00 0.00 WAT +ATOM 27337 H2 TIP3 7009 -8.935 17.156 -15.226 1.00 0.00 WAT +ATOM 27338 OH2 TIP3 7010 -20.733 18.025 -14.128 1.00 0.00 WAT +ATOM 27339 H1 TIP3 7010 -20.095 18.618 -13.671 1.00 0.00 WAT +ATOM 27340 H2 TIP3 7010 -20.187 17.755 -14.902 1.00 0.00 WAT +ATOM 27341 OH2 TIP3 7011 -19.459 25.745 -11.250 1.00 0.00 WAT +ATOM 27342 H1 TIP3 7011 -19.437 26.700 -11.453 1.00 0.00 WAT +ATOM 27343 H2 TIP3 7011 -20.270 25.700 -10.710 1.00 0.00 WAT +ATOM 27344 OH2 TIP3 7012 -23.139 25.455 -20.274 1.00 0.00 WAT +ATOM 27345 H1 TIP3 7012 -23.281 25.900 -21.132 1.00 0.00 WAT +ATOM 27346 H2 TIP3 7012 -22.952 26.201 -19.668 1.00 0.00 WAT +ATOM 27347 OH2 TIP3 7013 -9.645 26.896 -13.542 1.00 0.00 WAT +ATOM 27348 H1 TIP3 7013 -10.614 27.014 -13.515 1.00 0.00 WAT +ATOM 27349 H2 TIP3 7013 -9.371 27.763 -13.893 1.00 0.00 WAT +ATOM 27350 OH2 TIP3 7014 -16.340 13.323 -14.866 1.00 0.00 WAT +ATOM 27351 H1 TIP3 7014 -16.531 12.380 -14.743 1.00 0.00 WAT +ATOM 27352 H2 TIP3 7014 -17.173 13.746 -14.571 1.00 0.00 WAT +ATOM 27353 OH2 TIP3 7015 -11.333 28.825 -16.947 1.00 0.00 WAT +ATOM 27354 H1 TIP3 7015 -10.833 28.061 -17.290 1.00 0.00 WAT +ATOM 27355 H2 TIP3 7015 -10.687 29.548 -17.087 1.00 0.00 WAT +ATOM 27356 OH2 TIP3 7016 -9.869 26.660 -18.358 1.00 0.00 WAT +ATOM 27357 H1 TIP3 7016 -10.431 26.234 -19.019 1.00 0.00 WAT +ATOM 27358 H2 TIP3 7016 -9.959 26.046 -17.604 1.00 0.00 WAT +ATOM 27359 OH2 TIP3 7017 -8.419 25.471 -9.866 1.00 0.00 WAT +ATOM 27360 H1 TIP3 7017 -8.491 24.853 -10.615 1.00 0.00 WAT +ATOM 27361 H2 TIP3 7017 -8.295 26.327 -10.319 1.00 0.00 WAT +ATOM 27362 OH2 TIP3 7018 -14.127 22.417 -20.165 1.00 0.00 WAT +ATOM 27363 H1 TIP3 7018 -14.773 23.045 -20.540 1.00 0.00 WAT +ATOM 27364 H2 TIP3 7018 -13.390 22.496 -20.793 1.00 0.00 WAT +ATOM 27365 OH2 TIP3 7019 -13.794 20.533 -23.067 1.00 0.00 WAT +ATOM 27366 H1 TIP3 7019 -13.122 20.908 -22.469 1.00 0.00 WAT +ATOM 27367 H2 TIP3 7019 -13.231 20.069 -23.704 1.00 0.00 WAT +ATOM 27368 OH2 TIP3 7020 -6.414 21.834 -11.732 1.00 0.00 WAT +ATOM 27369 H1 TIP3 7020 -7.259 22.324 -11.764 1.00 0.00 WAT +ATOM 27370 H2 TIP3 7020 -6.047 22.052 -12.611 1.00 0.00 WAT +ATOM 27371 OH2 TIP3 7021 -10.587 22.411 -19.076 1.00 0.00 WAT +ATOM 27372 H1 TIP3 7021 -11.263 22.638 -18.397 1.00 0.00 WAT +ATOM 27373 H2 TIP3 7021 -9.978 21.860 -18.551 1.00 0.00 WAT +ATOM 27374 OH2 TIP3 7022 -10.686 20.876 -10.034 1.00 0.00 WAT +ATOM 27375 H1 TIP3 7022 -10.602 21.732 -9.583 1.00 0.00 WAT +ATOM 27376 H2 TIP3 7022 -11.308 21.125 -10.736 1.00 0.00 WAT +ATOM 27377 OH2 TIP3 7023 -19.067 23.187 -17.250 1.00 0.00 WAT +ATOM 27378 H1 TIP3 7023 -19.333 22.777 -18.098 1.00 0.00 WAT +ATOM 27379 H2 TIP3 7023 -18.370 22.574 -16.950 1.00 0.00 WAT +ATOM 27380 OH2 TIP3 7024 -17.681 26.542 -14.548 1.00 0.00 WAT +ATOM 27381 H1 TIP3 7024 -17.695 26.231 -15.463 1.00 0.00 WAT +ATOM 27382 H2 TIP3 7024 -16.856 26.137 -14.216 1.00 0.00 WAT +ATOM 27383 OH2 TIP3 7025 -18.542 22.030 -13.777 1.00 0.00 WAT +ATOM 27384 H1 TIP3 7025 -17.951 21.990 -14.556 1.00 0.00 WAT +ATOM 27385 H2 TIP3 7025 -18.067 22.644 -13.183 1.00 0.00 WAT +ATOM 27386 OH2 TIP3 7026 -12.465 27.510 -13.231 1.00 0.00 WAT +ATOM 27387 H1 TIP3 7026 -12.438 28.200 -12.546 1.00 0.00 WAT +ATOM 27388 H2 TIP3 7026 -12.668 26.699 -12.733 1.00 0.00 WAT +ATOM 27389 OH2 TIP3 7027 -17.568 26.334 -8.941 1.00 0.00 WAT +ATOM 27390 H1 TIP3 7027 -18.092 27.023 -8.487 1.00 0.00 WAT +ATOM 27391 H2 TIP3 7027 -18.187 26.062 -9.641 1.00 0.00 WAT +ATOM 27392 OH2 TIP3 7028 -11.637 21.865 -21.621 1.00 0.00 WAT +ATOM 27393 H1 TIP3 7028 -11.170 22.150 -20.808 1.00 0.00 WAT +ATOM 27394 H2 TIP3 7028 -11.138 22.377 -22.306 1.00 0.00 WAT +ATOM 27395 OH2 TIP3 7029 -20.658 22.762 -9.918 1.00 0.00 WAT +ATOM 27396 H1 TIP3 7029 -20.575 23.261 -9.085 1.00 0.00 WAT +ATOM 27397 H2 TIP3 7029 -21.609 22.564 -9.929 1.00 0.00 WAT +ATOM 27398 OH2 TIP3 7030 -14.144 28.484 -18.047 1.00 0.00 WAT +ATOM 27399 H1 TIP3 7030 -13.684 28.761 -17.243 1.00 0.00 WAT +ATOM 27400 H2 TIP3 7030 -14.757 29.210 -18.203 1.00 0.00 WAT +ATOM 27401 OH2 TIP3 7031 -19.434 28.447 -8.176 1.00 0.00 WAT +ATOM 27402 H1 TIP3 7031 -19.583 28.567 -9.128 1.00 0.00 WAT +ATOM 27403 H2 TIP3 7031 -20.327 28.251 -7.833 1.00 0.00 WAT +ATOM 27404 OH2 TIP3 7032 -8.236 13.621 -22.174 1.00 0.00 WAT +ATOM 27405 H1 TIP3 7032 -9.062 13.728 -21.667 1.00 0.00 WAT +ATOM 27406 H2 TIP3 7032 -7.831 14.499 -22.092 1.00 0.00 WAT +ATOM 27407 OH2 TIP3 7033 -20.082 21.964 -19.781 1.00 0.00 WAT +ATOM 27408 H1 TIP3 7033 -20.276 22.712 -20.377 1.00 0.00 WAT +ATOM 27409 H2 TIP3 7033 -20.721 21.304 -20.080 1.00 0.00 WAT +ATOM 27410 OH2 TIP3 7034 -6.807 27.738 -23.589 1.00 0.00 WAT +ATOM 27411 H1 TIP3 7034 -6.666 28.679 -23.361 1.00 0.00 WAT +ATOM 27412 H2 TIP3 7034 -5.939 27.350 -23.371 1.00 0.00 WAT +ATOM 27413 OH2 TIP3 7035 -23.981 24.531 -11.450 1.00 0.00 WAT +ATOM 27414 H1 TIP3 7035 -24.788 24.255 -11.898 1.00 0.00 WAT +ATOM 27415 H2 TIP3 7035 -23.757 23.715 -10.967 1.00 0.00 WAT +ATOM 27416 OH2 TIP3 7036 -5.602 28.126 -8.377 1.00 0.00 WAT +ATOM 27417 H1 TIP3 7036 -5.719 27.167 -8.480 1.00 0.00 WAT +ATOM 27418 H2 TIP3 7036 -6.485 28.379 -8.026 1.00 0.00 WAT +ATOM 27419 OH2 TIP3 7037 -14.911 27.360 -9.525 1.00 0.00 WAT +ATOM 27420 H1 TIP3 7037 -14.820 28.198 -9.023 1.00 0.00 WAT +ATOM 27421 H2 TIP3 7037 -15.823 27.092 -9.298 1.00 0.00 WAT +ATOM 27422 OH2 TIP3 7038 -20.809 30.280 -17.997 1.00 0.00 WAT +ATOM 27423 H1 TIP3 7038 -20.668 29.907 -17.105 1.00 0.00 WAT +ATOM 27424 H2 TIP3 7038 -21.695 29.966 -18.215 1.00 0.00 WAT +ATOM 27425 OH2 TIP3 7039 -11.242 30.644 -22.413 1.00 0.00 WAT +ATOM 27426 H1 TIP3 7039 -10.722 29.930 -22.825 1.00 0.00 WAT +ATOM 27427 H2 TIP3 7039 -11.393 30.296 -21.511 1.00 0.00 WAT +ATOM 27428 OH2 TIP3 7040 -11.997 30.045 -19.628 1.00 0.00 WAT +ATOM 27429 H1 TIP3 7040 -12.925 30.266 -19.487 1.00 0.00 WAT +ATOM 27430 H2 TIP3 7040 -11.868 29.371 -18.939 1.00 0.00 WAT +ATOM 27431 OH2 TIP3 7041 -21.814 26.144 -9.766 1.00 0.00 WAT +ATOM 27432 H1 TIP3 7041 -21.534 25.680 -8.948 1.00 0.00 WAT +ATOM 27433 H2 TIP3 7041 -22.484 25.556 -10.140 1.00 0.00 WAT +ATOM 27434 OH2 TIP3 7042 -18.639 14.758 -14.218 1.00 0.00 WAT +ATOM 27435 H1 TIP3 7042 -19.454 14.263 -14.320 1.00 0.00 WAT +ATOM 27436 H2 TIP3 7042 -18.957 15.667 -14.135 1.00 0.00 WAT +ATOM 27437 OH2 TIP3 7043 -14.305 13.960 -10.159 1.00 0.00 WAT +ATOM 27438 H1 TIP3 7043 -13.786 13.687 -9.380 1.00 0.00 WAT +ATOM 27439 H2 TIP3 7043 -15.164 13.562 -9.952 1.00 0.00 WAT +ATOM 27440 OH2 TIP3 7044 -11.436 17.901 -9.616 1.00 0.00 WAT +ATOM 27441 H1 TIP3 7044 -11.447 17.722 -8.668 1.00 0.00 WAT +ATOM 27442 H2 TIP3 7044 -11.111 18.817 -9.674 1.00 0.00 WAT +ATOM 27443 OH2 TIP3 7045 -10.080 22.914 -23.619 1.00 0.00 WAT +ATOM 27444 H1 TIP3 7045 -10.275 22.774 -24.565 1.00 0.00 WAT +ATOM 27445 H2 TIP3 7045 -9.153 23.207 -23.664 1.00 0.00 WAT +ATOM 27446 OH2 TIP3 7046 -14.522 16.458 -23.259 1.00 0.00 WAT +ATOM 27447 H1 TIP3 7046 -14.946 16.684 -22.420 1.00 0.00 WAT +ATOM 27448 H2 TIP3 7046 -15.068 15.716 -23.526 1.00 0.00 WAT +ATOM 27449 OH2 TIP3 7047 -18.809 19.388 -12.647 1.00 0.00 WAT +ATOM 27450 H1 TIP3 7047 -19.336 19.495 -11.836 1.00 0.00 WAT +ATOM 27451 H2 TIP3 7047 -18.711 20.313 -12.955 1.00 0.00 WAT +ATOM 27452 OH2 TIP3 7048 -18.824 19.584 -17.803 1.00 0.00 WAT +ATOM 27453 H1 TIP3 7048 -19.778 19.496 -17.985 1.00 0.00 WAT +ATOM 27454 H2 TIP3 7048 -18.458 19.348 -18.679 1.00 0.00 WAT +ATOM 27455 OH2 TIP3 7049 -13.226 20.057 -18.974 1.00 0.00 WAT +ATOM 27456 H1 TIP3 7049 -13.630 20.888 -19.306 1.00 0.00 WAT +ATOM 27457 H2 TIP3 7049 -12.528 19.914 -19.634 1.00 0.00 WAT +ATOM 27458 OH2 TIP3 7050 -14.043 20.273 -7.526 1.00 0.00 WAT +ATOM 27459 H1 TIP3 7050 -14.510 19.442 -7.279 1.00 0.00 WAT +ATOM 27460 H2 TIP3 7050 -13.156 20.117 -7.155 1.00 0.00 WAT +ATOM 27461 OH2 TIP3 7051 -12.361 19.455 -16.180 1.00 0.00 WAT +ATOM 27462 H1 TIP3 7051 -12.643 20.032 -16.917 1.00 0.00 WAT +ATOM 27463 H2 TIP3 7051 -12.131 18.649 -16.684 1.00 0.00 WAT +ATOM 27464 OH2 TIP3 7052 -21.454 19.443 -10.840 1.00 0.00 WAT +ATOM 27465 H1 TIP3 7052 -21.152 19.773 -9.983 1.00 0.00 WAT +ATOM 27466 H2 TIP3 7052 -22.137 18.805 -10.592 1.00 0.00 WAT +ATOM 27467 OH2 TIP3 7053 -17.897 16.938 -24.208 1.00 0.00 WAT +ATOM 27468 H1 TIP3 7053 -18.330 16.630 -23.388 1.00 0.00 WAT +ATOM 27469 H2 TIP3 7053 -18.650 17.272 -24.711 1.00 0.00 WAT +ATOM 27470 OH2 TIP3 7054 -24.466 17.105 -17.078 1.00 0.00 WAT +ATOM 27471 H1 TIP3 7054 -23.863 16.857 -16.354 1.00 0.00 WAT +ATOM 27472 H2 TIP3 7054 -24.087 16.661 -17.854 1.00 0.00 WAT +ATOM 27473 OH2 TIP3 7055 -22.971 17.476 -21.434 1.00 0.00 WAT +ATOM 27474 H1 TIP3 7055 -22.428 17.964 -22.087 1.00 0.00 WAT +ATOM 27475 H2 TIP3 7055 -23.679 18.121 -21.262 1.00 0.00 WAT +ATOM 27476 OH2 TIP3 7056 -13.200 21.147 -11.667 1.00 0.00 WAT +ATOM 27477 H1 TIP3 7056 -12.776 20.428 -12.190 1.00 0.00 WAT +ATOM 27478 H2 TIP3 7056 -13.533 20.657 -10.905 1.00 0.00 WAT +ATOM 27479 OH2 TIP3 7057 -16.047 17.063 -16.711 1.00 0.00 WAT +ATOM 27480 H1 TIP3 7057 -16.995 17.057 -16.500 1.00 0.00 WAT +ATOM 27481 H2 TIP3 7057 -15.652 16.871 -15.844 1.00 0.00 WAT +ATOM 27482 OH2 TIP3 7058 -21.444 18.321 -18.097 1.00 0.00 WAT +ATOM 27483 H1 TIP3 7058 -22.288 18.541 -18.525 1.00 0.00 WAT +ATOM 27484 H2 TIP3 7058 -21.192 17.482 -18.531 1.00 0.00 WAT +ATOM 27485 OH2 TIP3 7059 -17.836 18.636 -20.346 1.00 0.00 WAT +ATOM 27486 H1 TIP3 7059 -16.870 18.745 -20.300 1.00 0.00 WAT +ATOM 27487 H2 TIP3 7059 -18.105 19.215 -21.081 1.00 0.00 WAT +ATOM 27488 OH2 TIP3 7060 -11.683 16.176 -13.692 1.00 0.00 WAT +ATOM 27489 H1 TIP3 7060 -12.374 16.297 -13.006 1.00 0.00 WAT +ATOM 27490 H2 TIP3 7060 -12.219 15.881 -14.445 1.00 0.00 WAT +ATOM 27491 OH2 TIP3 7061 -19.364 19.820 -22.593 1.00 0.00 WAT +ATOM 27492 H1 TIP3 7061 -19.965 19.607 -23.327 1.00 0.00 WAT +ATOM 27493 H2 TIP3 7061 -18.571 20.083 -23.092 1.00 0.00 WAT +ATOM 27494 OH2 TIP3 7062 -8.654 31.994 -7.024 1.00 0.00 WAT +ATOM 27495 H1 TIP3 7062 -8.441 32.459 -7.850 1.00 0.00 WAT +ATOM 27496 H2 TIP3 7062 -7.955 32.317 -6.430 1.00 0.00 WAT +ATOM 27497 OH2 TIP3 7063 -20.731 24.624 -7.590 1.00 0.00 WAT +ATOM 27498 H1 TIP3 7063 -20.069 24.739 -6.880 1.00 0.00 WAT +ATOM 27499 H2 TIP3 7063 -21.541 24.586 -7.043 1.00 0.00 WAT +ATOM 27500 OH2 TIP3 7064 -15.053 19.613 -14.917 1.00 0.00 WAT +ATOM 27501 H1 TIP3 7064 -14.284 19.211 -15.348 1.00 0.00 WAT +ATOM 27502 H2 TIP3 7064 -15.190 19.018 -14.154 1.00 0.00 WAT +ATOM 27503 OH2 TIP3 7065 -19.854 15.955 -18.702 1.00 0.00 WAT +ATOM 27504 H1 TIP3 7065 -20.331 15.147 -18.439 1.00 0.00 WAT +ATOM 27505 H2 TIP3 7065 -19.050 15.596 -19.099 1.00 0.00 WAT +ATOM 27506 OH2 TIP3 7066 -16.029 18.095 -12.637 1.00 0.00 WAT +ATOM 27507 H1 TIP3 7066 -16.826 18.648 -12.632 1.00 0.00 WAT +ATOM 27508 H2 TIP3 7066 -15.567 18.371 -11.819 1.00 0.00 WAT +ATOM 27509 OH2 TIP3 7067 -15.938 24.490 -20.767 1.00 0.00 WAT +ATOM 27510 H1 TIP3 7067 -16.706 23.988 -21.114 1.00 0.00 WAT +ATOM 27511 H2 TIP3 7067 -16.126 24.528 -19.803 1.00 0.00 WAT +ATOM 27512 OH2 TIP3 7068 -8.694 23.596 -12.012 1.00 0.00 WAT +ATOM 27513 H1 TIP3 7068 -8.187 24.139 -12.654 1.00 0.00 WAT +ATOM 27514 H2 TIP3 7068 -9.547 23.499 -12.480 1.00 0.00 WAT +ATOM 27515 OH2 TIP3 7069 -11.828 17.287 -22.975 1.00 0.00 WAT +ATOM 27516 H1 TIP3 7069 -12.805 17.301 -23.032 1.00 0.00 WAT +ATOM 27517 H2 TIP3 7069 -11.621 18.033 -22.373 1.00 0.00 WAT +ATOM 27518 OH2 TIP3 7070 -14.306 24.470 -9.438 1.00 0.00 WAT +ATOM 27519 H1 TIP3 7070 -14.571 24.176 -8.557 1.00 0.00 WAT +ATOM 27520 H2 TIP3 7070 -14.567 25.405 -9.436 1.00 0.00 WAT +ATOM 27521 OH2 TIP3 7071 -11.089 19.112 -20.964 1.00 0.00 WAT +ATOM 27522 H1 TIP3 7071 -10.222 18.954 -20.541 1.00 0.00 WAT +ATOM 27523 H2 TIP3 7071 -10.977 20.006 -21.337 1.00 0.00 WAT +ATOM 27524 OH2 TIP3 7072 -20.876 23.883 -14.995 1.00 0.00 WAT +ATOM 27525 H1 TIP3 7072 -20.214 23.755 -15.708 1.00 0.00 WAT +ATOM 27526 H2 TIP3 7072 -20.793 23.033 -14.519 1.00 0.00 WAT +ATOM 27527 OH2 TIP3 7073 -13.515 25.799 -21.800 1.00 0.00 WAT +ATOM 27528 H1 TIP3 7073 -13.784 26.676 -21.461 1.00 0.00 WAT +ATOM 27529 H2 TIP3 7073 -14.292 25.266 -21.553 1.00 0.00 WAT +ATOM 27530 OH2 TIP3 7074 -23.531 22.184 -9.636 1.00 0.00 WAT +ATOM 27531 H1 TIP3 7074 -23.373 21.749 -8.771 1.00 0.00 WAT +ATOM 27532 H2 TIP3 7074 -24.107 21.544 -10.084 1.00 0.00 WAT +ATOM 27533 OH2 TIP3 7075 -16.540 21.718 -7.687 1.00 0.00 WAT +ATOM 27534 H1 TIP3 7075 -16.895 21.435 -8.546 1.00 0.00 WAT +ATOM 27535 H2 TIP3 7075 -15.636 21.361 -7.738 1.00 0.00 WAT +ATOM 27536 OH2 TIP3 7076 -12.012 27.023 -9.957 1.00 0.00 WAT +ATOM 27537 H1 TIP3 7076 -12.972 27.156 -10.017 1.00 0.00 WAT +ATOM 27538 H2 TIP3 7076 -11.829 27.309 -9.047 1.00 0.00 WAT +ATOM 27539 OH2 TIP3 7077 -6.500 19.120 -21.174 1.00 0.00 WAT +ATOM 27540 H1 TIP3 7077 -7.053 18.924 -21.955 1.00 0.00 WAT +ATOM 27541 H2 TIP3 7077 -6.380 20.081 -21.317 1.00 0.00 WAT +ATOM 27542 OH2 TIP3 7078 -6.080 25.122 -8.451 1.00 0.00 WAT +ATOM 27543 H1 TIP3 7078 -7.025 25.339 -8.609 1.00 0.00 WAT +ATOM 27544 H2 TIP3 7078 -5.761 25.027 -9.371 1.00 0.00 WAT +ATOM 27545 OH2 TIP3 7079 -8.306 27.727 -21.103 1.00 0.00 WAT +ATOM 27546 H1 TIP3 7079 -8.501 26.961 -20.545 1.00 0.00 WAT +ATOM 27547 H2 TIP3 7079 -7.746 27.360 -21.801 1.00 0.00 WAT +ATOM 27548 OH2 TIP3 7080 -11.022 23.069 -13.722 1.00 0.00 WAT +ATOM 27549 H1 TIP3 7080 -11.958 22.912 -13.946 1.00 0.00 WAT +ATOM 27550 H2 TIP3 7080 -10.590 22.333 -14.197 1.00 0.00 WAT +ATOM 27551 OH2 TIP3 7081 -18.439 27.169 -17.633 1.00 0.00 WAT +ATOM 27552 H1 TIP3 7081 -17.961 28.001 -17.789 1.00 0.00 WAT +ATOM 27553 H2 TIP3 7081 -19.313 27.401 -17.968 1.00 0.00 WAT +ATOM 27554 OH2 TIP3 7082 -22.404 21.938 -23.031 1.00 0.00 WAT +ATOM 27555 H1 TIP3 7082 -21.830 22.636 -22.668 1.00 0.00 WAT +ATOM 27556 H2 TIP3 7082 -23.285 22.256 -22.764 1.00 0.00 WAT +ATOM 27557 OH2 TIP3 7083 -16.575 24.830 -18.043 1.00 0.00 WAT +ATOM 27558 H1 TIP3 7083 -16.840 25.754 -17.913 1.00 0.00 WAT +ATOM 27559 H2 TIP3 7083 -17.297 24.357 -17.609 1.00 0.00 WAT +ATOM 27560 OH2 TIP3 7084 -16.408 29.091 -11.695 1.00 0.00 WAT +ATOM 27561 H1 TIP3 7084 -15.874 29.855 -11.976 1.00 0.00 WAT +ATOM 27562 H2 TIP3 7084 -15.776 28.622 -11.128 1.00 0.00 WAT +ATOM 27563 OH2 TIP3 7085 -17.924 30.039 -18.459 1.00 0.00 WAT +ATOM 27564 H1 TIP3 7085 -18.882 30.198 -18.469 1.00 0.00 WAT +ATOM 27565 H2 TIP3 7085 -17.607 30.944 -18.263 1.00 0.00 WAT +ATOM 27566 OH2 TIP3 7086 -12.986 24.831 -12.112 1.00 0.00 WAT +ATOM 27567 H1 TIP3 7086 -13.276 24.565 -11.222 1.00 0.00 WAT +ATOM 27568 H2 TIP3 7086 -12.248 24.223 -12.277 1.00 0.00 WAT +ATOM 27569 OH2 TIP3 7087 -10.831 26.123 -23.212 1.00 0.00 WAT +ATOM 27570 H1 TIP3 7087 -10.407 25.691 -22.448 1.00 0.00 WAT +ATOM 27571 H2 TIP3 7087 -11.761 26.003 -22.957 1.00 0.00 WAT +ATOM 27572 OH2 TIP3 7088 -10.054 29.405 -9.739 1.00 0.00 WAT +ATOM 27573 H1 TIP3 7088 -10.816 28.972 -10.167 1.00 0.00 WAT +ATOM 27574 H2 TIP3 7088 -9.948 30.213 -10.274 1.00 0.00 WAT +ATOM 27575 OH2 TIP3 7089 -6.083 30.405 -22.696 1.00 0.00 WAT +ATOM 27576 H1 TIP3 7089 -5.413 31.071 -22.923 1.00 0.00 WAT +ATOM 27577 H2 TIP3 7089 -6.862 30.989 -22.630 1.00 0.00 WAT +ATOM 27578 OH2 TIP3 7090 -9.857 24.751 -20.828 1.00 0.00 WAT +ATOM 27579 H1 TIP3 7090 -10.122 24.040 -20.221 1.00 0.00 WAT +ATOM 27580 H2 TIP3 7090 -8.890 24.751 -20.728 1.00 0.00 WAT +ATOM 27581 OH2 TIP3 7091 -22.443 28.516 -11.676 1.00 0.00 WAT +ATOM 27582 H1 TIP3 7091 -22.101 27.637 -11.472 1.00 0.00 WAT +ATOM 27583 H2 TIP3 7091 -22.275 28.983 -10.850 1.00 0.00 WAT +ATOM 27584 OH2 TIP3 7092 -16.619 27.173 -24.653 1.00 0.00 WAT +ATOM 27585 H1 TIP3 7092 -16.328 26.375 -25.129 1.00 0.00 WAT +ATOM 27586 H2 TIP3 7092 -17.038 26.796 -23.865 1.00 0.00 WAT +ATOM 27587 OH2 TIP3 7093 -17.792 26.837 -21.801 1.00 0.00 WAT +ATOM 27588 H1 TIP3 7093 -17.196 26.311 -21.249 1.00 0.00 WAT +ATOM 27589 H2 TIP3 7093 -17.522 27.751 -21.588 1.00 0.00 WAT +ATOM 27590 OH2 TIP3 7094 -20.898 24.161 -21.499 1.00 0.00 WAT +ATOM 27591 H1 TIP3 7094 -21.637 24.568 -21.009 1.00 0.00 WAT +ATOM 27592 H2 TIP3 7094 -20.441 24.954 -21.834 1.00 0.00 WAT +ATOM 27593 OH2 TIP3 7095 -13.132 16.458 -11.439 1.00 0.00 WAT +ATOM 27594 H1 TIP3 7095 -12.613 16.836 -10.703 1.00 0.00 WAT +ATOM 27595 H2 TIP3 7095 -13.710 15.809 -11.001 1.00 0.00 WAT +ATOM 27596 OH2 TIP3 7096 -12.582 16.053 -20.259 1.00 0.00 WAT +ATOM 27597 H1 TIP3 7096 -12.380 16.615 -21.024 1.00 0.00 WAT +ATOM 27598 H2 TIP3 7096 -12.166 16.551 -19.534 1.00 0.00 WAT +ATOM 27599 OH2 TIP3 7097 -14.927 28.291 -21.271 1.00 0.00 WAT +ATOM 27600 H1 TIP3 7097 -15.685 28.883 -21.123 1.00 0.00 WAT +ATOM 27601 H2 TIP3 7097 -14.378 28.871 -21.818 1.00 0.00 WAT +ATOM 27602 OH2 TIP3 7098 -15.173 18.052 -19.294 1.00 0.00 WAT +ATOM 27603 H1 TIP3 7098 -14.433 18.679 -19.151 1.00 0.00 WAT +ATOM 27604 H2 TIP3 7098 -15.468 17.889 -18.377 1.00 0.00 WAT +ATOM 27605 OH2 TIP3 7099 -14.813 18.959 -10.150 1.00 0.00 WAT +ATOM 27606 H1 TIP3 7099 -14.779 19.468 -9.325 1.00 0.00 WAT +ATOM 27607 H2 TIP3 7099 -14.240 18.210 -9.948 1.00 0.00 WAT +ATOM 27608 OH2 TIP3 7100 -14.600 15.066 -18.334 1.00 0.00 WAT +ATOM 27609 H1 TIP3 7100 -14.823 15.750 -17.673 1.00 0.00 WAT +ATOM 27610 H2 TIP3 7100 -13.873 15.501 -18.818 1.00 0.00 WAT +ATOM 27611 OH2 TIP3 7101 -17.469 29.701 -21.380 1.00 0.00 WAT +ATOM 27612 H1 TIP3 7101 -17.343 30.543 -21.852 1.00 0.00 WAT +ATOM 27613 H2 TIP3 7101 -17.641 30.032 -20.482 1.00 0.00 WAT +ATOM 27614 OH2 TIP3 7102 -18.895 16.117 -21.787 1.00 0.00 WAT +ATOM 27615 H1 TIP3 7102 -18.880 16.897 -21.205 1.00 0.00 WAT +ATOM 27616 H2 TIP3 7102 -18.089 15.650 -21.500 1.00 0.00 WAT +ATOM 27617 OH2 TIP3 7103 -8.190 16.832 -9.680 1.00 0.00 WAT +ATOM 27618 H1 TIP3 7103 -9.120 17.021 -9.545 1.00 0.00 WAT +ATOM 27619 H2 TIP3 7103 -8.065 17.029 -10.614 1.00 0.00 WAT +ATOM 27620 OH2 TIP3 7104 -10.004 20.780 -15.203 1.00 0.00 WAT +ATOM 27621 H1 TIP3 7104 -10.823 20.330 -15.477 1.00 0.00 WAT +ATOM 27622 H2 TIP3 7104 -9.524 20.065 -14.727 1.00 0.00 WAT +ATOM 27623 OH2 TIP3 7105 -20.492 26.927 -22.742 1.00 0.00 WAT +ATOM 27624 H1 TIP3 7105 -19.759 27.438 -22.354 1.00 0.00 WAT +ATOM 27625 H2 TIP3 7105 -20.004 26.473 -23.448 1.00 0.00 WAT +ATOM 27626 OH2 TIP3 7106 -22.341 19.157 -23.629 1.00 0.00 WAT +ATOM 27627 H1 TIP3 7106 -22.231 20.099 -23.394 1.00 0.00 WAT +ATOM 27628 H2 TIP3 7106 -23.201 19.153 -24.064 1.00 0.00 WAT +ATOM 27629 OH2 TIP3 7107 -8.988 29.667 -13.830 1.00 0.00 WAT +ATOM 27630 H1 TIP3 7107 -9.190 30.471 -14.350 1.00 0.00 WAT +ATOM 27631 H2 TIP3 7107 -8.059 29.833 -13.609 1.00 0.00 WAT +ATOM 27632 OH2 TIP3 7108 -22.575 27.627 -18.520 1.00 0.00 WAT +ATOM 27633 H1 TIP3 7108 -23.315 28.234 -18.387 1.00 0.00 WAT +ATOM 27634 H2 TIP3 7108 -22.065 28.120 -19.183 1.00 0.00 WAT +ATOM 27635 OH2 TIP3 7109 -23.102 30.578 -7.432 1.00 0.00 WAT +ATOM 27636 H1 TIP3 7109 -22.535 30.308 -6.683 1.00 0.00 WAT +ATOM 27637 H2 TIP3 7109 -23.501 29.727 -7.695 1.00 0.00 WAT +ATOM 27638 OH2 TIP3 7110 -18.485 29.620 -5.636 1.00 0.00 WAT +ATOM 27639 H1 TIP3 7110 -17.751 29.037 -5.386 1.00 0.00 WAT +ATOM 27640 H2 TIP3 7110 -18.631 29.367 -6.561 1.00 0.00 WAT +ATOM 27641 OH2 TIP3 7111 -14.363 28.821 -24.228 1.00 0.00 WAT +ATOM 27642 H1 TIP3 7111 -15.151 28.239 -24.241 1.00 0.00 WAT +ATOM 27643 H2 TIP3 7111 -13.698 28.214 -24.582 1.00 0.00 WAT +ATOM 27644 OH2 TIP3 7112 -11.970 27.885 -7.082 1.00 0.00 WAT +ATOM 27645 H1 TIP3 7112 -12.339 27.093 -6.662 1.00 0.00 WAT +ATOM 27646 H2 TIP3 7112 -11.273 28.148 -6.452 1.00 0.00 WAT +ATOM 27647 OH2 TIP3 7113 -9.740 28.781 -24.038 1.00 0.00 WAT +ATOM 27648 H1 TIP3 7113 -9.560 27.983 -23.516 1.00 0.00 WAT +ATOM 27649 H2 TIP3 7113 -8.946 28.847 -24.597 1.00 0.00 WAT +ATOM 27650 OH2 TIP3 7114 -23.151 24.251 -6.308 1.00 0.00 WAT +ATOM 27651 H1 TIP3 7114 -23.068 23.322 -6.577 1.00 0.00 WAT +ATOM 27652 H2 TIP3 7114 -23.940 24.525 -6.813 1.00 0.00 WAT +ATOM 27653 OH2 TIP3 7115 -18.948 24.647 -24.267 1.00 0.00 WAT +ATOM 27654 H1 TIP3 7115 -18.762 24.032 -23.539 1.00 0.00 WAT +ATOM 27655 H2 TIP3 7115 -18.099 24.628 -24.747 1.00 0.00 WAT +ATOM 27656 OH2 TIP3 7116 -16.487 24.469 -6.917 1.00 0.00 WAT +ATOM 27657 H1 TIP3 7116 -16.791 24.815 -7.774 1.00 0.00 WAT +ATOM 27658 H2 TIP3 7116 -16.430 23.506 -7.084 1.00 0.00 WAT +ATOM 27659 OH2 TIP3 7117 -13.710 25.951 -24.678 1.00 0.00 WAT +ATOM 27660 H1 TIP3 7117 -13.751 25.909 -23.708 1.00 0.00 WAT +ATOM 27661 H2 TIP3 7117 -13.758 24.996 -24.894 1.00 0.00 WAT +ATOM 27662 OH2 TIP3 7118 -11.138 23.957 -9.455 1.00 0.00 WAT +ATOM 27663 H1 TIP3 7118 -10.370 24.496 -9.705 1.00 0.00 WAT +ATOM 27664 H2 TIP3 7118 -11.851 24.611 -9.541 1.00 0.00 WAT +ATOM 27665 OH2 TIP3 7119 -22.237 21.389 -7.165 1.00 0.00 WAT +ATOM 27666 H1 TIP3 7119 -21.553 20.699 -7.109 1.00 0.00 WAT +ATOM 27667 H2 TIP3 7119 -22.362 21.560 -6.216 1.00 0.00 WAT +ATOM 27668 OH2 TIP3 7120 -17.860 22.706 -21.955 1.00 0.00 WAT +ATOM 27669 H1 TIP3 7120 -18.465 22.197 -21.398 1.00 0.00 WAT +ATOM 27670 H2 TIP3 7120 -17.562 22.026 -22.592 1.00 0.00 WAT +ATOM 27671 OH2 TIP3 7121 -18.658 20.466 -9.755 1.00 0.00 WAT +ATOM 27672 H1 TIP3 7121 -19.157 21.256 -9.484 1.00 0.00 WAT +ATOM 27673 H2 TIP3 7121 -17.974 20.851 -10.332 1.00 0.00 WAT +ATOM 27674 OH2 TIP3 7122 -16.916 20.712 -23.701 1.00 0.00 WAT +ATOM 27675 H1 TIP3 7122 -16.967 20.812 -24.671 1.00 0.00 WAT +ATOM 27676 H2 TIP3 7122 -15.953 20.700 -23.558 1.00 0.00 WAT +ATOM 27677 OH2 TIP3 7123 -13.250 23.267 -6.082 1.00 0.00 WAT +ATOM 27678 H1 TIP3 7123 -12.405 23.015 -6.491 1.00 0.00 WAT +ATOM 27679 H2 TIP3 7123 -13.624 22.407 -5.847 1.00 0.00 WAT +ATOM 27680 OH2 TIP3 7124 -7.382 23.245 -24.368 1.00 0.00 WAT +ATOM 27681 H1 TIP3 7124 -7.492 22.836 -25.238 1.00 0.00 WAT +ATOM 27682 H2 TIP3 7124 -7.503 24.194 -24.595 1.00 0.00 WAT +ATOM 27683 OH2 TIP3 7125 -18.061 17.760 -8.592 1.00 0.00 WAT +ATOM 27684 H1 TIP3 7125 -17.921 17.109 -9.303 1.00 0.00 WAT +ATOM 27685 H2 TIP3 7125 -18.214 18.578 -9.096 1.00 0.00 WAT +ATOM 27686 OH2 TIP3 7126 -17.656 16.189 -11.081 1.00 0.00 WAT +ATOM 27687 H1 TIP3 7126 -17.107 16.665 -11.733 1.00 0.00 WAT +ATOM 27688 H2 TIP3 7126 -18.551 16.257 -11.469 1.00 0.00 WAT +ATOM 27689 OH2 TIP3 7127 -16.154 21.670 -10.737 1.00 0.00 WAT +ATOM 27690 H1 TIP3 7127 -15.299 21.606 -11.188 1.00 0.00 WAT +ATOM 27691 H2 TIP3 7127 -16.445 22.561 -11.012 1.00 0.00 WAT +ATOM 27692 OH2 TIP3 7128 -11.634 19.622 -5.877 1.00 0.00 WAT +ATOM 27693 H1 TIP3 7128 -11.250 18.736 -5.765 1.00 0.00 WAT +ATOM 27694 H2 TIP3 7128 -10.830 20.138 -6.026 1.00 0.00 WAT +ATOM 27695 OH2 TIP3 7129 -10.576 22.379 -7.208 1.00 0.00 WAT +ATOM 27696 H1 TIP3 7129 -10.869 23.008 -7.897 1.00 0.00 WAT +ATOM 27697 H2 TIP3 7129 -9.648 22.263 -7.478 1.00 0.00 WAT +ATOM 27698 OH2 TIP3 7130 -19.816 19.571 -6.752 1.00 0.00 WAT +ATOM 27699 H1 TIP3 7130 -20.423 18.816 -6.711 1.00 0.00 WAT +ATOM 27700 H2 TIP3 7130 -19.034 19.198 -7.185 1.00 0.00 WAT +ATOM 27701 OH2 TIP3 7131 -17.411 13.371 -10.537 1.00 0.00 WAT +ATOM 27702 H1 TIP3 7131 -17.199 14.313 -10.435 1.00 0.00 WAT +ATOM 27703 H2 TIP3 7131 -17.706 13.348 -11.445 1.00 0.00 WAT +ATOM 27704 OH2 TIP3 7132 -15.513 18.041 -7.073 1.00 0.00 WAT +ATOM 27705 H1 TIP3 7132 -15.790 17.808 -6.170 1.00 0.00 WAT +ATOM 27706 H2 TIP3 7132 -16.310 17.786 -7.569 1.00 0.00 WAT +ATOM 27707 OH2 TIP3 7133 -21.405 16.902 -7.045 1.00 0.00 WAT +ATOM 27708 H1 TIP3 7133 -21.140 16.103 -7.503 1.00 0.00 WAT +ATOM 27709 H2 TIP3 7133 -21.411 16.575 -6.116 1.00 0.00 WAT +ATOM 27710 OH2 TIP3 7134 -16.787 14.576 -5.850 1.00 0.00 WAT +ATOM 27711 H1 TIP3 7134 -16.306 14.169 -6.581 1.00 0.00 WAT +ATOM 27712 H2 TIP3 7134 -16.909 15.504 -6.092 1.00 0.00 WAT +ATOM 27713 OH2 TIP3 7135 -23.225 26.321 -22.996 1.00 0.00 WAT +ATOM 27714 H1 TIP3 7135 -22.274 26.563 -22.935 1.00 0.00 WAT +ATOM 27715 H2 TIP3 7135 -23.204 25.598 -23.653 1.00 0.00 WAT +ATOM 27716 OH2 TIP3 7136 -24.222 31.525 -18.334 1.00 0.00 WAT +ATOM 27717 H1 TIP3 7136 -24.954 31.168 -18.871 1.00 0.00 WAT +ATOM 27718 H2 TIP3 7136 -24.153 30.869 -17.617 1.00 0.00 WAT +ATOM 27719 OH2 TIP3 7137 -23.840 29.536 -16.278 1.00 0.00 WAT +ATOM 27720 H1 TIP3 7137 -24.272 28.749 -15.938 1.00 0.00 WAT +ATOM 27721 H2 TIP3 7137 -23.470 29.916 -15.460 1.00 0.00 WAT +ATOM 27722 OH2 TIP3 7138 -6.152 30.708 -13.359 1.00 0.00 WAT +ATOM 27723 H1 TIP3 7138 -6.114 30.814 -12.395 1.00 0.00 WAT +ATOM 27724 H2 TIP3 7138 -5.445 31.297 -13.645 1.00 0.00 WAT +ATOM 27725 OH2 TIP3 7139 -6.390 30.281 -10.478 1.00 0.00 WAT +ATOM 27726 H1 TIP3 7139 -6.916 29.533 -10.815 1.00 0.00 WAT +ATOM 27727 H2 TIP3 7139 -5.871 29.829 -9.793 1.00 0.00 WAT +ATOM 27728 OH2 TIP3 7140 -8.519 25.744 -6.107 1.00 0.00 WAT +ATOM 27729 H1 TIP3 7140 -9.224 25.695 -5.458 1.00 0.00 WAT +ATOM 27730 H2 TIP3 7140 -7.964 26.468 -5.763 1.00 0.00 WAT +ATOM 27731 OH2 TIP3 7141 -6.957 24.624 -20.439 1.00 0.00 WAT +ATOM 27732 H1 TIP3 7141 -6.068 24.973 -20.241 1.00 0.00 WAT +ATOM 27733 H2 TIP3 7141 -7.062 23.994 -19.705 1.00 0.00 WAT +ATOM 27734 OH2 TIP3 7142 -6.494 22.575 -18.420 1.00 0.00 WAT +ATOM 27735 H1 TIP3 7142 -7.200 22.028 -18.025 1.00 0.00 WAT +ATOM 27736 H2 TIP3 7142 -5.843 22.653 -17.700 1.00 0.00 WAT +ATOM 27737 OH2 TIP3 7143 -6.795 25.050 -13.453 1.00 0.00 WAT +ATOM 27738 H1 TIP3 7143 -6.173 24.574 -14.027 1.00 0.00 WAT +ATOM 27739 H2 TIP3 7143 -6.715 25.962 -13.781 1.00 0.00 WAT +ATOM 27740 OH2 TIP3 7144 -8.100 27.966 -11.225 1.00 0.00 WAT +ATOM 27741 H1 TIP3 7144 -8.819 28.394 -10.727 1.00 0.00 WAT +ATOM 27742 H2 TIP3 7144 -8.568 27.634 -12.015 1.00 0.00 WAT +ATOM 27743 OH2 TIP3 7145 -6.312 22.018 -21.870 1.00 0.00 WAT +ATOM 27744 H1 TIP3 7145 -6.802 22.311 -22.662 1.00 0.00 WAT +ATOM 27745 H2 TIP3 7145 -6.420 22.791 -21.293 1.00 0.00 WAT +ATOM 27746 OH2 TIP3 7146 -8.032 19.593 -23.617 1.00 0.00 WAT +ATOM 27747 H1 TIP3 7146 -7.763 20.191 -24.327 1.00 0.00 WAT +ATOM 27748 H2 TIP3 7146 -8.252 18.773 -24.100 1.00 0.00 WAT +ATOM 27749 OH2 TIP3 7147 -8.634 20.722 -17.655 1.00 0.00 WAT +ATOM 27750 H1 TIP3 7147 -8.672 19.763 -17.798 1.00 0.00 WAT +ATOM 27751 H2 TIP3 7147 -8.980 20.807 -16.744 1.00 0.00 WAT +ATOM 27752 OH2 TIP3 7148 -7.776 22.417 -8.189 1.00 0.00 WAT +ATOM 27753 H1 TIP3 7148 -7.016 21.829 -8.194 1.00 0.00 WAT +ATOM 27754 H2 TIP3 7148 -7.389 23.255 -8.486 1.00 0.00 WAT +ATOM 27755 OH2 TIP3 7149 -8.544 16.933 -24.392 1.00 0.00 WAT +ATOM 27756 H1 TIP3 7149 -7.914 16.454 -23.822 1.00 0.00 WAT +ATOM 27757 H2 TIP3 7149 -9.317 16.358 -24.410 1.00 0.00 WAT +ATOM 27758 OH2 TIP3 7150 -8.755 18.201 -19.464 1.00 0.00 WAT +ATOM 27759 H1 TIP3 7150 -8.495 17.256 -19.401 1.00 0.00 WAT +ATOM 27760 H2 TIP3 7150 -7.953 18.575 -19.868 1.00 0.00 WAT +ATOM 27761 OH2 TIP3 7151 -8.478 18.802 -14.004 1.00 0.00 WAT +ATOM 27762 H1 TIP3 7151 -7.505 18.882 -14.029 1.00 0.00 WAT +ATOM 27763 H2 TIP3 7151 -8.608 18.810 -13.035 1.00 0.00 WAT +ATOM 27764 OH2 TIP3 7152 -8.397 19.458 -11.267 1.00 0.00 WAT +ATOM 27765 H1 TIP3 7152 -9.094 19.912 -10.762 1.00 0.00 WAT +ATOM 27766 H2 TIP3 7152 -7.696 20.125 -11.309 1.00 0.00 WAT +ATOM 27767 OH2 TIP3 7153 -24.075 17.898 -7.558 1.00 0.00 WAT +ATOM 27768 H1 TIP3 7153 -23.150 17.651 -7.364 1.00 0.00 WAT +ATOM 27769 H2 TIP3 7153 -24.550 17.093 -7.308 1.00 0.00 WAT +ATOM 27770 OH2 TIP3 7154 -8.257 15.409 -19.479 1.00 0.00 WAT +ATOM 27771 H1 TIP3 7154 -8.139 15.074 -18.571 1.00 0.00 WAT +ATOM 27772 H2 TIP3 7154 -9.053 14.917 -19.763 1.00 0.00 WAT +ATOM 27773 OH2 TIP3 7155 -22.908 16.249 -14.794 1.00 0.00 WAT +ATOM 27774 H1 TIP3 7155 -22.411 15.433 -14.674 1.00 0.00 WAT +ATOM 27775 H2 TIP3 7155 -22.301 16.918 -14.436 1.00 0.00 WAT +ATOM 27776 OH2 TIP3 7156 -24.528 19.275 -13.760 1.00 0.00 WAT +ATOM 27777 H1 TIP3 7156 -23.935 19.271 -14.529 1.00 0.00 WAT +ATOM 27778 H2 TIP3 7156 -24.091 19.901 -13.172 1.00 0.00 WAT +ATOM 27779 OH2 TIP3 7157 -6.310 15.903 -22.847 1.00 0.00 WAT +ATOM 27780 H1 TIP3 7157 -5.977 15.097 -23.277 1.00 0.00 WAT +ATOM 27781 H2 TIP3 7157 -5.491 16.411 -22.712 1.00 0.00 WAT +ATOM 27782 OH2 TIP3 7158 -24.057 15.688 -19.550 1.00 0.00 WAT +ATOM 27783 H1 TIP3 7158 -24.991 15.659 -19.818 1.00 0.00 WAT +ATOM 27784 H2 TIP3 7158 -23.638 16.217 -20.257 1.00 0.00 WAT +ATOM 27785 OH2 TIP3 7159 -9.384 30.778 -17.548 1.00 0.00 WAT +ATOM 27786 H1 TIP3 7159 -8.894 30.628 -18.371 1.00 0.00 WAT +ATOM 27787 H2 TIP3 7159 -8.753 31.275 -17.015 1.00 0.00 WAT +ATOM 27788 OH2 TIP3 7160 -21.995 27.598 -6.791 1.00 0.00 WAT +ATOM 27789 H1 TIP3 7160 -22.715 27.596 -7.436 1.00 0.00 WAT +ATOM 27790 H2 TIP3 7160 -22.470 27.547 -5.949 1.00 0.00 WAT +ATOM 27791 OH2 TIP3 7161 -19.174 28.567 -11.175 1.00 0.00 WAT +ATOM 27792 H1 TIP3 7161 -19.484 29.435 -11.495 1.00 0.00 WAT +ATOM 27793 H2 TIP3 7161 -18.212 28.684 -11.322 1.00 0.00 WAT +ATOM 27794 OH2 TIP3 7162 -14.651 29.858 -8.125 1.00 0.00 WAT +ATOM 27795 H1 TIP3 7162 -14.515 29.748 -7.170 1.00 0.00 WAT +ATOM 27796 H2 TIP3 7162 -13.838 30.342 -8.380 1.00 0.00 WAT +ATOM 27797 OH2 TIP3 7163 -12.377 31.338 -8.893 1.00 0.00 WAT +ATOM 27798 H1 TIP3 7163 -11.681 30.700 -9.106 1.00 0.00 WAT +ATOM 27799 H2 TIP3 7163 -12.076 31.657 -8.019 1.00 0.00 WAT +ATOM 27800 OH2 TIP3 7164 -21.832 31.492 -10.799 1.00 0.00 WAT +ATOM 27801 H1 TIP3 7164 -22.387 32.149 -11.257 1.00 0.00 WAT +ATOM 27802 H2 TIP3 7164 -22.137 31.610 -9.891 1.00 0.00 WAT +ATOM 27803 OH2 TIP3 7165 -19.318 31.285 -12.272 1.00 0.00 WAT +ATOM 27804 H1 TIP3 7165 -20.153 31.530 -11.831 1.00 0.00 WAT +ATOM 27805 H2 TIP3 7165 -19.231 31.991 -12.944 1.00 0.00 WAT +ATOM 27806 OH2 TIP3 7166 -14.570 31.306 -12.690 1.00 0.00 WAT +ATOM 27807 H1 TIP3 7166 -14.911 31.748 -13.491 1.00 0.00 WAT +ATOM 27808 H2 TIP3 7166 -14.463 32.068 -12.091 1.00 0.00 WAT +ATOM 27809 OH2 TIP3 7167 -12.230 30.020 -11.787 1.00 0.00 WAT +ATOM 27810 H1 TIP3 7167 -13.075 30.391 -12.106 1.00 0.00 WAT +ATOM 27811 H2 TIP3 7167 -11.666 30.807 -11.793 1.00 0.00 WAT +ATOM 27812 OH2 TIP3 7168 -9.680 31.748 -11.589 1.00 0.00 WAT +ATOM 27813 H1 TIP3 7168 -9.742 32.703 -11.791 1.00 0.00 WAT +ATOM 27814 H2 TIP3 7168 -9.432 31.402 -12.463 1.00 0.00 WAT +ATOM 27815 OH2 TIP3 7169 -22.256 30.300 -13.900 1.00 0.00 WAT +ATOM 27816 H1 TIP3 7169 -22.290 29.814 -13.046 1.00 0.00 WAT +ATOM 27817 H2 TIP3 7169 -21.435 29.931 -14.284 1.00 0.00 WAT +ATOM 27818 OH2 TIP3 7170 -20.199 29.103 -15.408 1.00 0.00 WAT +ATOM 27819 H1 TIP3 7170 -20.277 28.163 -15.178 1.00 0.00 WAT +ATOM 27820 H2 TIP3 7170 -19.276 29.305 -15.146 1.00 0.00 WAT +ATOM 27821 OH2 TIP3 7171 -17.486 29.528 -14.533 1.00 0.00 WAT +ATOM 27822 H1 TIP3 7171 -17.229 28.617 -14.746 1.00 0.00 WAT +ATOM 27823 H2 TIP3 7171 -17.368 29.535 -13.571 1.00 0.00 WAT +ATOM 27824 OH2 TIP3 7172 -14.186 15.349 -15.193 1.00 0.00 WAT +ATOM 27825 H1 TIP3 7172 -14.851 14.650 -15.059 1.00 0.00 WAT +ATOM 27826 H2 TIP3 7172 -13.556 14.911 -15.788 1.00 0.00 WAT +ATOM 27827 OH2 TIP3 7173 -9.244 13.617 -14.625 1.00 0.00 WAT +ATOM 27828 H1 TIP3 7173 -8.380 13.701 -15.055 1.00 0.00 WAT +ATOM 27829 H2 TIP3 7173 -9.857 13.615 -15.372 1.00 0.00 WAT +ATOM 27830 OH2 TIP3 7174 -7.127 14.538 -16.882 1.00 0.00 WAT +ATOM 27831 H1 TIP3 7174 -6.387 14.113 -17.351 1.00 0.00 WAT +ATOM 27832 H2 TIP3 7174 -6.794 15.449 -16.761 1.00 0.00 WAT +ATOM 27833 OH2 TIP3 7175 -21.667 14.169 -17.305 1.00 0.00 WAT +ATOM 27834 H1 TIP3 7175 -22.527 14.051 -17.743 1.00 0.00 WAT +ATOM 27835 H2 TIP3 7175 -21.292 13.277 -17.374 1.00 0.00 WAT +ATOM 27836 OH2 TIP3 7176 -22.940 13.645 -21.809 1.00 0.00 WAT +ATOM 27837 H1 TIP3 7176 -22.440 14.312 -22.316 1.00 0.00 WAT +ATOM 27838 H2 TIP3 7176 -23.345 14.177 -21.109 1.00 0.00 WAT +ATOM 27839 OH2 TIP3 7177 -17.299 13.933 -17.781 1.00 0.00 WAT +ATOM 27840 H1 TIP3 7177 -16.373 14.202 -17.896 1.00 0.00 WAT +ATOM 27841 H2 TIP3 7177 -17.342 13.802 -16.827 1.00 0.00 WAT +ATOM 27842 OH2 TIP3 7178 -11.743 14.044 -16.389 1.00 0.00 WAT +ATOM 27843 H1 TIP3 7178 -11.378 13.886 -17.269 1.00 0.00 WAT +ATOM 27844 H2 TIP3 7178 -12.069 13.162 -16.145 1.00 0.00 WAT +ATOM 27845 OH2 TIP3 7179 -10.579 14.006 -20.438 1.00 0.00 WAT +ATOM 27846 H1 TIP3 7179 -11.398 14.529 -20.530 1.00 0.00 WAT +ATOM 27847 H2 TIP3 7179 -10.928 13.139 -20.161 1.00 0.00 WAT +ATOM 27848 OH2 TIP3 7180 -22.811 29.583 -20.595 1.00 0.00 WAT +ATOM 27849 H1 TIP3 7180 -23.399 29.495 -21.361 1.00 0.00 WAT +ATOM 27850 H2 TIP3 7180 -22.755 30.547 -20.534 1.00 0.00 WAT +ATOM 27851 OH2 TIP3 7181 -21.233 15.477 -23.362 1.00 0.00 WAT +ATOM 27852 H1 TIP3 7181 -20.613 14.930 -23.870 1.00 0.00 WAT +ATOM 27853 H2 TIP3 7181 -20.652 15.817 -22.654 1.00 0.00 WAT +ATOM 27854 OH2 TIP3 7182 -16.080 15.609 -20.779 1.00 0.00 WAT +ATOM 27855 H1 TIP3 7182 -15.805 15.052 -20.033 1.00 0.00 WAT +ATOM 27856 H2 TIP3 7182 -15.929 16.487 -20.393 1.00 0.00 WAT +ATOM 27857 OH2 TIP3 7183 -14.015 31.093 -22.522 1.00 0.00 WAT +ATOM 27858 H1 TIP3 7183 -13.066 31.256 -22.624 1.00 0.00 WAT +ATOM 27859 H2 TIP3 7183 -14.231 30.557 -23.297 1.00 0.00 WAT +ATOM 27860 OH2 TIP3 7184 -7.549 30.473 -19.938 1.00 0.00 WAT +ATOM 27861 H1 TIP3 7184 -7.814 29.639 -20.376 1.00 0.00 WAT +ATOM 27862 H2 TIP3 7184 -7.692 31.116 -20.653 1.00 0.00 WAT +ATOM 27863 OH2 TIP3 7185 -21.390 30.457 -23.828 1.00 0.00 WAT +ATOM 27864 H1 TIP3 7185 -21.534 30.858 -22.958 1.00 0.00 WAT +ATOM 27865 H2 TIP3 7185 -20.528 30.017 -23.720 1.00 0.00 WAT +ATOM 27866 OH2 TIP3 7186 -8.091 29.232 -7.535 1.00 0.00 WAT +ATOM 27867 H1 TIP3 7186 -8.837 29.020 -8.122 1.00 0.00 WAT +ATOM 27868 H2 TIP3 7186 -8.267 30.169 -7.331 1.00 0.00 WAT +ATOM 27869 OH2 TIP3 7187 4.973 22.327 -14.426 1.00 0.00 WAT +ATOM 27870 H1 TIP3 7187 4.894 21.758 -13.647 1.00 0.00 WAT +ATOM 27871 H2 TIP3 7187 4.743 21.734 -15.154 1.00 0.00 WAT +ATOM 27872 OH2 TIP3 7188 -2.663 21.684 -12.501 1.00 0.00 WAT +ATOM 27873 H1 TIP3 7188 -2.471 21.053 -11.802 1.00 0.00 WAT +ATOM 27874 H2 TIP3 7188 -1.853 22.217 -12.487 1.00 0.00 WAT +ATOM 27875 OH2 TIP3 7189 8.780 25.182 -16.029 1.00 0.00 WAT +ATOM 27876 H1 TIP3 7189 8.288 24.418 -15.703 1.00 0.00 WAT +ATOM 27877 H2 TIP3 7189 8.937 25.686 -15.220 1.00 0.00 WAT +ATOM 27878 OH2 TIP3 7190 -1.673 26.728 -14.451 1.00 0.00 WAT +ATOM 27879 H1 TIP3 7190 -2.118 25.861 -14.524 1.00 0.00 WAT +ATOM 27880 H2 TIP3 7190 -0.990 26.492 -13.798 1.00 0.00 WAT +ATOM 27881 OH2 TIP3 7191 -4.971 19.967 -18.780 1.00 0.00 WAT +ATOM 27882 H1 TIP3 7191 -5.362 20.854 -18.721 1.00 0.00 WAT +ATOM 27883 H2 TIP3 7191 -5.667 19.479 -19.236 1.00 0.00 WAT +ATOM 27884 OH2 TIP3 7192 -4.022 22.265 -16.762 1.00 0.00 WAT +ATOM 27885 H1 TIP3 7192 -3.834 21.435 -16.289 1.00 0.00 WAT +ATOM 27886 H2 TIP3 7192 -3.244 22.341 -17.329 1.00 0.00 WAT +ATOM 27887 OH2 TIP3 7193 5.700 30.445 -15.432 1.00 0.00 WAT +ATOM 27888 H1 TIP3 7193 6.272 29.744 -15.804 1.00 0.00 WAT +ATOM 27889 H2 TIP3 7193 5.475 30.063 -14.574 1.00 0.00 WAT +ATOM 27890 OH2 TIP3 7194 3.399 24.863 -13.770 1.00 0.00 WAT +ATOM 27891 H1 TIP3 7194 3.717 24.196 -14.403 1.00 0.00 WAT +ATOM 27892 H2 TIP3 7194 4.226 25.005 -13.272 1.00 0.00 WAT +ATOM 27893 OH2 TIP3 7195 12.134 16.421 -13.139 1.00 0.00 WAT +ATOM 27894 H1 TIP3 7195 12.348 17.052 -12.437 1.00 0.00 WAT +ATOM 27895 H2 TIP3 7195 12.741 16.728 -13.836 1.00 0.00 WAT +ATOM 27896 OH2 TIP3 7196 6.584 19.112 -13.346 1.00 0.00 WAT +ATOM 27897 H1 TIP3 7196 6.931 18.204 -13.377 1.00 0.00 WAT +ATOM 27898 H2 TIP3 7196 6.668 19.386 -14.271 1.00 0.00 WAT +ATOM 27899 OH2 TIP3 7197 -0.493 16.976 -16.145 1.00 0.00 WAT +ATOM 27900 H1 TIP3 7197 -0.358 17.917 -16.317 1.00 0.00 WAT +ATOM 27901 H2 TIP3 7197 -0.795 16.648 -17.011 1.00 0.00 WAT +ATOM 27902 OH2 TIP3 7198 7.566 17.390 -17.892 1.00 0.00 WAT +ATOM 27903 H1 TIP3 7198 8.131 16.997 -17.188 1.00 0.00 WAT +ATOM 27904 H2 TIP3 7198 8.242 17.835 -18.430 1.00 0.00 WAT +ATOM 27905 OH2 TIP3 7199 -3.265 19.702 -15.473 1.00 0.00 WAT +ATOM 27906 H1 TIP3 7199 -2.567 19.204 -15.035 1.00 0.00 WAT +ATOM 27907 H2 TIP3 7199 -3.249 19.301 -16.359 1.00 0.00 WAT +ATOM 27908 OH2 TIP3 7200 1.731 21.279 -16.108 1.00 0.00 WAT +ATOM 27909 H1 TIP3 7200 2.385 20.702 -15.673 1.00 0.00 WAT +ATOM 27910 H2 TIP3 7200 1.258 20.632 -16.665 1.00 0.00 WAT +ATOM 27911 OH2 TIP3 7201 12.887 17.836 -10.428 1.00 0.00 WAT +ATOM 27912 H1 TIP3 7201 12.278 18.506 -10.777 1.00 0.00 WAT +ATOM 27913 H2 TIP3 7201 12.415 17.556 -9.631 1.00 0.00 WAT +ATOM 27914 OH2 TIP3 7202 6.099 25.904 -18.590 1.00 0.00 WAT +ATOM 27915 H1 TIP3 7202 5.743 25.179 -19.107 1.00 0.00 WAT +ATOM 27916 H2 TIP3 7202 5.381 26.549 -18.523 1.00 0.00 WAT +ATOM 27917 OH2 TIP3 7203 1.470 23.851 -11.850 1.00 0.00 WAT +ATOM 27918 H1 TIP3 7203 0.703 24.445 -11.732 1.00 0.00 WAT +ATOM 27919 H2 TIP3 7203 2.099 24.420 -12.334 1.00 0.00 WAT +ATOM 27920 OH2 TIP3 7204 9.246 16.584 -15.744 1.00 0.00 WAT +ATOM 27921 H1 TIP3 7204 9.187 15.830 -15.150 1.00 0.00 WAT +ATOM 27922 H2 TIP3 7204 9.846 17.181 -15.259 1.00 0.00 WAT +ATOM 27923 OH2 TIP3 7205 -0.646 25.807 -11.479 1.00 0.00 WAT +ATOM 27924 H1 TIP3 7205 -0.629 26.783 -11.418 1.00 0.00 WAT +ATOM 27925 H2 TIP3 7205 -1.396 25.590 -10.895 1.00 0.00 WAT +ATOM 27926 OH2 TIP3 7206 -4.246 25.602 -20.221 1.00 0.00 WAT +ATOM 27927 H1 TIP3 7206 -4.427 25.991 -21.095 1.00 0.00 WAT +ATOM 27928 H2 TIP3 7206 -4.063 26.377 -19.666 1.00 0.00 WAT +ATOM 27929 OH2 TIP3 7207 9.204 26.915 -13.482 1.00 0.00 WAT +ATOM 27930 H1 TIP3 7207 8.235 27.011 -13.498 1.00 0.00 WAT +ATOM 27931 H2 TIP3 7207 9.478 27.750 -13.899 1.00 0.00 WAT +ATOM 27932 OH2 TIP3 7208 9.458 15.915 -12.004 1.00 0.00 WAT +ATOM 27933 H1 TIP3 7208 8.689 16.212 -12.523 1.00 0.00 WAT +ATOM 27934 H2 TIP3 7208 10.215 16.074 -12.600 1.00 0.00 WAT +ATOM 27935 OH2 TIP3 7209 7.478 28.838 -16.950 1.00 0.00 WAT +ATOM 27936 H1 TIP3 7209 7.915 28.005 -17.226 1.00 0.00 WAT +ATOM 27937 H2 TIP3 7209 8.188 29.487 -17.098 1.00 0.00 WAT +ATOM 27938 OH2 TIP3 7210 8.927 26.665 -18.391 1.00 0.00 WAT +ATOM 27939 H1 TIP3 7210 8.387 26.150 -19.013 1.00 0.00 WAT +ATOM 27940 H2 TIP3 7210 8.891 26.071 -17.612 1.00 0.00 WAT +ATOM 27941 OH2 TIP3 7211 10.468 25.528 -9.854 1.00 0.00 WAT +ATOM 27942 H1 TIP3 7211 10.404 24.846 -10.548 1.00 0.00 WAT +ATOM 27943 H2 TIP3 7211 10.625 26.337 -10.371 1.00 0.00 WAT +ATOM 27944 OH2 TIP3 7212 5.108 20.822 -23.085 1.00 0.00 WAT +ATOM 27945 H1 TIP3 7212 5.694 20.896 -22.316 1.00 0.00 WAT +ATOM 27946 H2 TIP3 7212 5.620 20.215 -23.649 1.00 0.00 WAT +ATOM 27947 OH2 TIP3 7213 12.283 21.685 -11.901 1.00 0.00 WAT +ATOM 27948 H1 TIP3 7213 11.554 22.328 -11.806 1.00 0.00 WAT +ATOM 27949 H2 TIP3 7213 12.744 22.041 -12.686 1.00 0.00 WAT +ATOM 27950 OH2 TIP3 7214 8.224 20.813 -10.145 1.00 0.00 WAT +ATOM 27951 H1 TIP3 7214 8.167 21.599 -9.580 1.00 0.00 WAT +ATOM 27952 H2 TIP3 7214 7.545 21.032 -10.802 1.00 0.00 WAT +ATOM 27953 OH2 TIP3 7215 -0.100 23.251 -17.354 1.00 0.00 WAT +ATOM 27954 H1 TIP3 7215 -0.457 22.737 -18.106 1.00 0.00 WAT +ATOM 27955 H2 TIP3 7215 0.507 22.608 -16.940 1.00 0.00 WAT +ATOM 27956 OH2 TIP3 7216 1.213 26.720 -15.008 1.00 0.00 WAT +ATOM 27957 H1 TIP3 7216 1.455 25.948 -15.553 1.00 0.00 WAT +ATOM 27958 H2 TIP3 7216 1.910 26.630 -14.331 1.00 0.00 WAT +ATOM 27959 OH2 TIP3 7217 0.245 22.097 -13.765 1.00 0.00 WAT +ATOM 27960 H1 TIP3 7217 0.891 21.864 -14.460 1.00 0.00 WAT +ATOM 27961 H2 TIP3 7217 0.809 22.528 -13.098 1.00 0.00 WAT +ATOM 27962 OH2 TIP3 7218 6.344 27.548 -13.238 1.00 0.00 WAT +ATOM 27963 H1 TIP3 7218 6.435 28.174 -12.500 1.00 0.00 WAT +ATOM 27964 H2 TIP3 7218 6.163 26.700 -12.792 1.00 0.00 WAT +ATOM 27965 OH2 TIP3 7219 1.305 26.340 -8.985 1.00 0.00 WAT +ATOM 27966 H1 TIP3 7219 0.812 26.998 -8.462 1.00 0.00 WAT +ATOM 27967 H2 TIP3 7219 0.655 26.078 -9.652 1.00 0.00 WAT +ATOM 27968 OH2 TIP3 7220 -1.878 23.105 -9.989 1.00 0.00 WAT +ATOM 27969 H1 TIP3 7220 -1.660 23.337 -9.073 1.00 0.00 WAT +ATOM 27970 H2 TIP3 7220 -2.749 22.695 -9.910 1.00 0.00 WAT +ATOM 27971 OH2 TIP3 7221 4.576 28.476 -18.027 1.00 0.00 WAT +ATOM 27972 H1 TIP3 7221 5.227 28.666 -17.338 1.00 0.00 WAT +ATOM 27973 H2 TIP3 7221 4.302 29.350 -18.338 1.00 0.00 WAT +ATOM 27974 OH2 TIP3 7222 -0.597 28.488 -8.153 1.00 0.00 WAT +ATOM 27975 H1 TIP3 7222 -0.734 28.533 -9.111 1.00 0.00 WAT +ATOM 27976 H2 TIP3 7222 -1.487 28.276 -7.805 1.00 0.00 WAT +ATOM 27977 OH2 TIP3 7223 10.660 13.550 -22.078 1.00 0.00 WAT +ATOM 27978 H1 TIP3 7223 9.774 13.709 -21.692 1.00 0.00 WAT +ATOM 27979 H2 TIP3 7223 11.024 14.448 -22.119 1.00 0.00 WAT +ATOM 27980 OH2 TIP3 7224 -1.259 21.965 -19.726 1.00 0.00 WAT +ATOM 27981 H1 TIP3 7224 -1.414 22.678 -20.370 1.00 0.00 WAT +ATOM 27982 H2 TIP3 7224 -1.856 21.275 -20.044 1.00 0.00 WAT +ATOM 27983 OH2 TIP3 7225 12.044 27.749 -23.608 1.00 0.00 WAT +ATOM 27984 H1 TIP3 7225 12.208 28.674 -23.341 1.00 0.00 WAT +ATOM 27985 H2 TIP3 7225 12.903 27.330 -23.400 1.00 0.00 WAT +ATOM 27986 OH2 TIP3 7226 -5.150 24.582 -11.040 1.00 0.00 WAT +ATOM 27987 H1 TIP3 7226 -5.602 24.632 -11.907 1.00 0.00 WAT +ATOM 27988 H2 TIP3 7226 -5.020 23.627 -10.958 1.00 0.00 WAT +ATOM 27989 OH2 TIP3 7227 -5.125 27.534 -14.125 1.00 0.00 WAT +ATOM 27990 H1 TIP3 7227 -4.198 27.301 -14.004 1.00 0.00 WAT +ATOM 27991 H2 TIP3 7227 -5.258 28.170 -13.407 1.00 0.00 WAT +ATOM 27992 OH2 TIP3 7228 13.280 28.149 -8.354 1.00 0.00 WAT +ATOM 27993 H1 TIP3 7228 13.180 27.195 -8.524 1.00 0.00 WAT +ATOM 27994 H2 TIP3 7228 12.375 28.379 -8.051 1.00 0.00 WAT +ATOM 27995 OH2 TIP3 7229 3.921 27.410 -9.593 1.00 0.00 WAT +ATOM 27996 H1 TIP3 7229 3.995 28.221 -9.051 1.00 0.00 WAT +ATOM 27997 H2 TIP3 7229 3.041 27.076 -9.328 1.00 0.00 WAT +ATOM 27998 OH2 TIP3 7230 4.172 31.174 -19.544 1.00 0.00 WAT +ATOM 27999 H1 TIP3 7230 4.221 31.227 -20.515 1.00 0.00 WAT +ATOM 28000 H2 TIP3 7230 4.258 32.100 -19.271 1.00 0.00 WAT +ATOM 28001 OH2 TIP3 7231 7.542 30.631 -22.391 1.00 0.00 WAT +ATOM 28002 H1 TIP3 7231 8.095 29.964 -22.843 1.00 0.00 WAT +ATOM 28003 H2 TIP3 7231 7.475 30.240 -21.496 1.00 0.00 WAT +ATOM 28004 OH2 TIP3 7232 6.930 30.073 -19.570 1.00 0.00 WAT +ATOM 28005 H1 TIP3 7232 5.967 30.127 -19.455 1.00 0.00 WAT +ATOM 28006 H2 TIP3 7232 7.127 29.304 -19.004 1.00 0.00 WAT +ATOM 28007 OH2 TIP3 7233 10.362 19.732 -8.116 1.00 0.00 WAT +ATOM 28008 H1 TIP3 7233 9.695 20.092 -8.724 1.00 0.00 WAT +ATOM 28009 H2 TIP3 7233 10.340 18.785 -8.341 1.00 0.00 WAT +ATOM 28010 OH2 TIP3 7234 -2.945 26.130 -9.758 1.00 0.00 WAT +ATOM 28011 H1 TIP3 7234 -2.639 25.622 -8.985 1.00 0.00 WAT +ATOM 28012 H2 TIP3 7234 -3.663 25.573 -10.107 1.00 0.00 WAT +ATOM 28013 OH2 TIP3 7235 0.353 14.350 -13.844 1.00 0.00 WAT +ATOM 28014 H1 TIP3 7235 -0.493 13.964 -14.095 1.00 0.00 WAT +ATOM 28015 H2 TIP3 7235 0.099 15.142 -13.376 1.00 0.00 WAT +ATOM 28016 OH2 TIP3 7236 8.580 22.543 -23.420 1.00 0.00 WAT +ATOM 28017 H1 TIP3 7236 8.428 22.553 -24.379 1.00 0.00 WAT +ATOM 28018 H2 TIP3 7236 9.397 23.049 -23.334 1.00 0.00 WAT +ATOM 28019 OH2 TIP3 7237 4.526 16.685 -23.178 1.00 0.00 WAT +ATOM 28020 H1 TIP3 7237 3.961 16.739 -22.396 1.00 0.00 WAT +ATOM 28021 H2 TIP3 7237 3.978 16.120 -23.747 1.00 0.00 WAT +ATOM 28022 OH2 TIP3 7238 0.044 19.541 -17.751 1.00 0.00 WAT +ATOM 28023 H1 TIP3 7238 -0.900 19.360 -17.897 1.00 0.00 WAT +ATOM 28024 H2 TIP3 7238 0.416 19.272 -18.612 1.00 0.00 WAT +ATOM 28025 OH2 TIP3 7239 6.228 19.578 -16.428 1.00 0.00 WAT +ATOM 28026 H1 TIP3 7239 6.297 20.318 -17.087 1.00 0.00 WAT +ATOM 28027 H2 TIP3 7239 6.582 18.848 -16.969 1.00 0.00 WAT +ATOM 28028 OH2 TIP3 7240 0.956 17.288 -24.183 1.00 0.00 WAT +ATOM 28029 H1 TIP3 7240 0.597 16.833 -23.399 1.00 0.00 WAT +ATOM 28030 H2 TIP3 7240 0.203 17.332 -24.773 1.00 0.00 WAT +ATOM 28031 OH2 TIP3 7241 -5.696 16.998 -17.068 1.00 0.00 WAT +ATOM 28032 H1 TIP3 7241 -5.044 17.013 -16.347 1.00 0.00 WAT +ATOM 28033 H2 TIP3 7241 -5.197 16.642 -17.818 1.00 0.00 WAT +ATOM 28034 OH2 TIP3 7242 -4.145 17.472 -21.462 1.00 0.00 WAT +ATOM 28035 H1 TIP3 7242 -3.563 17.957 -22.081 1.00 0.00 WAT +ATOM 28036 H2 TIP3 7242 -4.820 18.144 -21.266 1.00 0.00 WAT +ATOM 28037 OH2 TIP3 7243 5.532 21.121 -11.687 1.00 0.00 WAT +ATOM 28038 H1 TIP3 7243 6.010 20.477 -12.247 1.00 0.00 WAT +ATOM 28039 H2 TIP3 7243 5.209 20.534 -10.981 1.00 0.00 WAT +ATOM 28040 OH2 TIP3 7244 2.625 17.022 -16.746 1.00 0.00 WAT +ATOM 28041 H1 TIP3 7244 1.682 17.053 -16.508 1.00 0.00 WAT +ATOM 28042 H2 TIP3 7244 3.040 17.102 -15.877 1.00 0.00 WAT +ATOM 28043 OH2 TIP3 7245 -2.632 18.339 -18.069 1.00 0.00 WAT +ATOM 28044 H1 TIP3 7245 -3.463 18.599 -18.506 1.00 0.00 WAT +ATOM 28045 H2 TIP3 7245 -2.358 17.540 -18.561 1.00 0.00 WAT +ATOM 28046 OH2 TIP3 7246 1.087 18.660 -20.346 1.00 0.00 WAT +ATOM 28047 H1 TIP3 7246 2.047 18.797 -20.299 1.00 0.00 WAT +ATOM 28048 H2 TIP3 7246 0.813 19.225 -21.086 1.00 0.00 WAT +ATOM 28049 OH2 TIP3 7247 6.901 16.205 -13.403 1.00 0.00 WAT +ATOM 28050 H1 TIP3 7247 6.181 16.253 -12.763 1.00 0.00 WAT +ATOM 28051 H2 TIP3 7247 6.400 15.955 -14.207 1.00 0.00 WAT +ATOM 28052 OH2 TIP3 7248 -0.521 19.879 -22.646 1.00 0.00 WAT +ATOM 28053 H1 TIP3 7248 -1.066 19.520 -23.361 1.00 0.00 WAT +ATOM 28054 H2 TIP3 7248 0.314 20.064 -23.107 1.00 0.00 WAT +ATOM 28055 OH2 TIP3 7249 10.193 32.007 -7.033 1.00 0.00 WAT +ATOM 28056 H1 TIP3 7249 10.428 32.457 -7.862 1.00 0.00 WAT +ATOM 28057 H2 TIP3 7249 10.899 32.306 -6.436 1.00 0.00 WAT +ATOM 28058 OH2 TIP3 7250 -1.826 24.552 -7.387 1.00 0.00 WAT +ATOM 28059 H1 TIP3 7250 -1.105 24.693 -6.757 1.00 0.00 WAT +ATOM 28060 H2 TIP3 7250 -2.592 24.630 -6.796 1.00 0.00 WAT +ATOM 28061 OH2 TIP3 7251 3.695 19.359 -14.679 1.00 0.00 WAT +ATOM 28062 H1 TIP3 7251 4.487 19.194 -15.212 1.00 0.00 WAT +ATOM 28063 H2 TIP3 7251 3.883 18.873 -13.864 1.00 0.00 WAT +ATOM 28064 OH2 TIP3 7252 -0.980 16.001 -18.752 1.00 0.00 WAT +ATOM 28065 H1 TIP3 7252 -1.414 15.159 -18.527 1.00 0.00 WAT +ATOM 28066 H2 TIP3 7252 -0.130 15.703 -19.106 1.00 0.00 WAT +ATOM 28067 OH2 TIP3 7253 2.945 24.482 -20.654 1.00 0.00 WAT +ATOM 28068 H1 TIP3 7253 2.401 23.798 -21.091 1.00 0.00 WAT +ATOM 28069 H2 TIP3 7253 3.060 24.130 -19.764 1.00 0.00 WAT +ATOM 28070 OH2 TIP3 7254 10.154 23.631 -11.998 1.00 0.00 WAT +ATOM 28071 H1 TIP3 7254 10.647 24.160 -12.660 1.00 0.00 WAT +ATOM 28072 H2 TIP3 7254 9.303 23.490 -12.458 1.00 0.00 WAT +ATOM 28073 OH2 TIP3 7255 7.219 17.317 -23.118 1.00 0.00 WAT +ATOM 28074 H1 TIP3 7255 6.239 17.259 -23.107 1.00 0.00 WAT +ATOM 28075 H2 TIP3 7255 7.386 18.052 -22.479 1.00 0.00 WAT +ATOM 28076 OH2 TIP3 7256 4.482 24.442 -9.364 1.00 0.00 WAT +ATOM 28077 H1 TIP3 7256 4.249 24.176 -8.462 1.00 0.00 WAT +ATOM 28078 H2 TIP3 7256 4.223 25.373 -9.381 1.00 0.00 WAT +ATOM 28079 OH2 TIP3 7257 7.691 19.280 -21.237 1.00 0.00 WAT +ATOM 28080 H1 TIP3 7257 8.307 19.141 -20.500 1.00 0.00 WAT +ATOM 28081 H2 TIP3 7257 7.693 20.249 -21.263 1.00 0.00 WAT +ATOM 28082 OH2 TIP3 7258 -1.879 23.755 -14.861 1.00 0.00 WAT +ATOM 28083 H1 TIP3 7258 -1.324 23.716 -15.654 1.00 0.00 WAT +ATOM 28084 H2 TIP3 7258 -1.610 22.926 -14.430 1.00 0.00 WAT +ATOM 28085 OH2 TIP3 7259 5.333 25.915 -21.934 1.00 0.00 WAT +ATOM 28086 H1 TIP3 7259 5.076 26.666 -21.366 1.00 0.00 WAT +ATOM 28087 H2 TIP3 7259 4.850 25.187 -21.510 1.00 0.00 WAT +ATOM 28088 OH2 TIP3 7260 -4.575 21.875 -9.275 1.00 0.00 WAT +ATOM 28089 H1 TIP3 7260 -4.592 21.132 -8.662 1.00 0.00 WAT +ATOM 28090 H2 TIP3 7260 -5.158 21.569 -9.993 1.00 0.00 WAT +ATOM 28091 OH2 TIP3 7261 2.504 21.466 -7.539 1.00 0.00 WAT +ATOM 28092 H1 TIP3 7261 2.241 21.328 -8.459 1.00 0.00 WAT +ATOM 28093 H2 TIP3 7261 3.463 21.431 -7.592 1.00 0.00 WAT +ATOM 28094 OH2 TIP3 7262 6.828 27.110 -9.968 1.00 0.00 WAT +ATOM 28095 H1 TIP3 7262 5.859 27.172 -10.022 1.00 0.00 WAT +ATOM 28096 H2 TIP3 7262 6.991 27.327 -9.036 1.00 0.00 WAT +ATOM 28097 OH2 TIP3 7263 12.377 19.107 -21.187 1.00 0.00 WAT +ATOM 28098 H1 TIP3 7263 11.796 18.946 -21.957 1.00 0.00 WAT +ATOM 28099 H2 TIP3 7263 12.504 20.069 -21.298 1.00 0.00 WAT +ATOM 28100 OH2 TIP3 7264 12.807 25.171 -8.388 1.00 0.00 WAT +ATOM 28101 H1 TIP3 7264 11.866 25.367 -8.583 1.00 0.00 WAT +ATOM 28102 H2 TIP3 7264 13.150 24.987 -9.285 1.00 0.00 WAT +ATOM 28103 OH2 TIP3 7265 10.572 27.718 -21.082 1.00 0.00 WAT +ATOM 28104 H1 TIP3 7265 10.311 26.946 -20.552 1.00 0.00 WAT +ATOM 28105 H2 TIP3 7265 11.109 27.318 -21.779 1.00 0.00 WAT +ATOM 28106 OH2 TIP3 7266 7.799 23.046 -13.670 1.00 0.00 WAT +ATOM 28107 H1 TIP3 7266 6.883 22.908 -13.971 1.00 0.00 WAT +ATOM 28108 H2 TIP3 7266 8.253 22.344 -14.185 1.00 0.00 WAT +ATOM 28109 OH2 TIP3 7267 -3.557 21.938 -23.046 1.00 0.00 WAT +ATOM 28110 H1 TIP3 7267 -2.974 22.616 -22.658 1.00 0.00 WAT +ATOM 28111 H2 TIP3 7267 -4.431 22.246 -22.743 1.00 0.00 WAT +ATOM 28112 OH2 TIP3 7268 1.992 25.268 -17.540 1.00 0.00 WAT +ATOM 28113 H1 TIP3 7268 1.743 25.889 -18.225 1.00 0.00 WAT +ATOM 28114 H2 TIP3 7268 1.411 24.504 -17.683 1.00 0.00 WAT +ATOM 28115 OH2 TIP3 7269 2.407 29.070 -11.754 1.00 0.00 WAT +ATOM 28116 H1 TIP3 7269 2.948 29.825 -12.038 1.00 0.00 WAT +ATOM 28117 H2 TIP3 7269 3.047 28.558 -11.234 1.00 0.00 WAT +ATOM 28118 OH2 TIP3 7270 5.850 24.859 -12.150 1.00 0.00 WAT +ATOM 28119 H1 TIP3 7270 5.570 24.549 -11.273 1.00 0.00 WAT +ATOM 28120 H2 TIP3 7270 6.567 24.235 -12.357 1.00 0.00 WAT +ATOM 28121 OH2 TIP3 7271 8.118 26.060 -23.096 1.00 0.00 WAT +ATOM 28122 H1 TIP3 7271 8.468 25.595 -22.310 1.00 0.00 WAT +ATOM 28123 H2 TIP3 7271 7.169 25.975 -22.899 1.00 0.00 WAT +ATOM 28124 OH2 TIP3 7272 8.794 29.421 -9.719 1.00 0.00 WAT +ATOM 28125 H1 TIP3 7272 8.046 28.950 -10.137 1.00 0.00 WAT +ATOM 28126 H2 TIP3 7272 8.895 30.204 -10.289 1.00 0.00 WAT +ATOM 28127 OH2 TIP3 7273 12.761 30.419 -22.661 1.00 0.00 WAT +ATOM 28128 H1 TIP3 7273 13.467 31.049 -22.884 1.00 0.00 WAT +ATOM 28129 H2 TIP3 7273 11.997 31.021 -22.688 1.00 0.00 WAT +ATOM 28130 OH2 TIP3 7274 8.883 24.622 -20.677 1.00 0.00 WAT +ATOM 28131 H1 TIP3 7274 8.504 23.857 -20.207 1.00 0.00 WAT +ATOM 28132 H2 TIP3 7274 9.830 24.535 -20.487 1.00 0.00 WAT +ATOM 28133 OH2 TIP3 7275 -3.511 28.504 -11.668 1.00 0.00 WAT +ATOM 28134 H1 TIP3 7275 -3.296 27.602 -11.387 1.00 0.00 WAT +ATOM 28135 H2 TIP3 7275 -3.425 28.972 -10.827 1.00 0.00 WAT +ATOM 28136 OH2 TIP3 7276 2.275 27.233 -24.577 1.00 0.00 WAT +ATOM 28137 H1 TIP3 7276 2.515 26.463 -25.127 1.00 0.00 WAT +ATOM 28138 H2 TIP3 7276 1.902 26.788 -23.797 1.00 0.00 WAT +ATOM 28139 OH2 TIP3 7277 1.230 26.623 -21.788 1.00 0.00 WAT +ATOM 28140 H1 TIP3 7277 1.781 26.060 -21.215 1.00 0.00 WAT +ATOM 28141 H2 TIP3 7277 1.379 27.518 -21.435 1.00 0.00 WAT +ATOM 28142 OH2 TIP3 7278 -2.105 24.174 -21.513 1.00 0.00 WAT +ATOM 28143 H1 TIP3 7278 -2.792 24.586 -20.958 1.00 0.00 WAT +ATOM 28144 H2 TIP3 7278 -1.620 24.959 -21.823 1.00 0.00 WAT +ATOM 28145 OH2 TIP3 7279 6.272 16.089 -20.264 1.00 0.00 WAT +ATOM 28146 H1 TIP3 7279 6.380 16.666 -21.035 1.00 0.00 WAT +ATOM 28147 H2 TIP3 7279 6.713 16.602 -19.566 1.00 0.00 WAT +ATOM 28148 OH2 TIP3 7280 4.064 28.472 -21.233 1.00 0.00 WAT +ATOM 28149 H1 TIP3 7280 3.198 28.901 -21.181 1.00 0.00 WAT +ATOM 28150 H2 TIP3 7280 4.403 28.774 -22.088 1.00 0.00 WAT +ATOM 28151 OH2 TIP3 7281 3.908 18.240 -19.247 1.00 0.00 WAT +ATOM 28152 H1 TIP3 7281 4.650 18.849 -19.101 1.00 0.00 WAT +ATOM 28153 H2 TIP3 7281 3.544 18.133 -18.354 1.00 0.00 WAT +ATOM 28154 OH2 TIP3 7282 4.393 19.013 -10.130 1.00 0.00 WAT +ATOM 28155 H1 TIP3 7282 4.051 19.296 -9.278 1.00 0.00 WAT +ATOM 28156 H2 TIP3 7282 4.620 18.085 -9.963 1.00 0.00 WAT +ATOM 28157 OH2 TIP3 7283 4.289 15.118 -18.324 1.00 0.00 WAT +ATOM 28158 H1 TIP3 7283 3.988 15.869 -17.779 1.00 0.00 WAT +ATOM 28159 H2 TIP3 7283 4.983 15.532 -18.877 1.00 0.00 WAT +ATOM 28160 OH2 TIP3 7284 1.206 29.431 -21.062 1.00 0.00 WAT +ATOM 28161 H1 TIP3 7284 1.132 30.122 -21.753 1.00 0.00 WAT +ATOM 28162 H2 TIP3 7284 1.144 29.972 -20.267 1.00 0.00 WAT +ATOM 28163 OH2 TIP3 7285 0.006 16.120 -21.858 1.00 0.00 WAT +ATOM 28164 H1 TIP3 7285 0.025 16.886 -21.261 1.00 0.00 WAT +ATOM 28165 H2 TIP3 7285 0.822 15.656 -21.580 1.00 0.00 WAT +ATOM 28166 OH2 TIP3 7286 10.255 17.159 -9.357 1.00 0.00 WAT +ATOM 28167 H1 TIP3 7286 9.306 17.023 -9.419 1.00 0.00 WAT +ATOM 28168 H2 TIP3 7286 10.526 16.784 -10.210 1.00 0.00 WAT +ATOM 28169 OH2 TIP3 7287 8.686 20.829 -15.122 1.00 0.00 WAT +ATOM 28170 H1 TIP3 7287 8.010 20.419 -15.681 1.00 0.00 WAT +ATOM 28171 H2 TIP3 7287 9.256 20.075 -14.865 1.00 0.00 WAT +ATOM 28172 OH2 TIP3 7288 -1.547 26.927 -22.724 1.00 0.00 WAT +ATOM 28173 H1 TIP3 7288 -0.820 27.465 -22.371 1.00 0.00 WAT +ATOM 28174 H2 TIP3 7288 -1.063 26.431 -23.405 1.00 0.00 WAT +ATOM 28175 OH2 TIP3 7289 -3.422 19.160 -23.683 1.00 0.00 WAT +ATOM 28176 H1 TIP3 7289 -3.318 20.091 -23.409 1.00 0.00 WAT +ATOM 28177 H2 TIP3 7289 -4.319 19.151 -24.037 1.00 0.00 WAT +ATOM 28178 OH2 TIP3 7290 9.816 29.725 -13.854 1.00 0.00 WAT +ATOM 28179 H1 TIP3 7290 9.698 30.560 -14.343 1.00 0.00 WAT +ATOM 28180 H2 TIP3 7290 10.742 29.807 -13.581 1.00 0.00 WAT +ATOM 28181 OH2 TIP3 7291 -2.866 13.849 -14.736 1.00 0.00 WAT +ATOM 28182 H1 TIP3 7291 -2.753 13.890 -15.699 1.00 0.00 WAT +ATOM 28183 H2 TIP3 7291 -2.986 12.908 -14.563 1.00 0.00 WAT +ATOM 28184 OH2 TIP3 7292 -3.193 28.037 -18.434 1.00 0.00 WAT +ATOM 28185 H1 TIP3 7292 -4.054 28.355 -18.125 1.00 0.00 WAT +ATOM 28186 H2 TIP3 7292 -3.129 28.497 -19.291 1.00 0.00 WAT +ATOM 28187 OH2 TIP3 7293 -4.253 30.572 -7.446 1.00 0.00 WAT +ATOM 28188 H1 TIP3 7293 -3.683 30.302 -6.700 1.00 0.00 WAT +ATOM 28189 H2 TIP3 7293 -4.660 29.718 -7.688 1.00 0.00 WAT +ATOM 28190 OH2 TIP3 7294 0.426 29.669 -5.653 1.00 0.00 WAT +ATOM 28191 H1 TIP3 7294 1.110 29.028 -5.405 1.00 0.00 WAT +ATOM 28192 H2 TIP3 7294 0.222 29.382 -6.558 1.00 0.00 WAT +ATOM 28193 OH2 TIP3 7295 4.499 28.884 -24.102 1.00 0.00 WAT +ATOM 28194 H1 TIP3 7295 3.745 28.267 -24.227 1.00 0.00 WAT +ATOM 28195 H2 TIP3 7295 5.219 28.353 -24.482 1.00 0.00 WAT +ATOM 28196 OH2 TIP3 7296 6.885 27.918 -7.044 1.00 0.00 WAT +ATOM 28197 H1 TIP3 7296 6.548 27.080 -6.681 1.00 0.00 WAT +ATOM 28198 H2 TIP3 7296 7.597 28.142 -6.418 1.00 0.00 WAT +ATOM 28199 OH2 TIP3 7297 9.097 28.784 -24.027 1.00 0.00 WAT +ATOM 28200 H1 TIP3 7297 9.248 27.985 -23.492 1.00 0.00 WAT +ATOM 28201 H2 TIP3 7297 9.906 28.813 -24.568 1.00 0.00 WAT +ATOM 28202 OH2 TIP3 7298 -4.688 24.042 -6.290 1.00 0.00 WAT +ATOM 28203 H1 TIP3 7298 -4.281 23.311 -6.761 1.00 0.00 WAT +ATOM 28204 H2 TIP3 7298 -5.230 24.474 -6.978 1.00 0.00 WAT +ATOM 28205 OH2 TIP3 7299 -0.088 24.648 -24.270 1.00 0.00 WAT +ATOM 28206 H1 TIP3 7299 0.091 24.059 -23.516 1.00 0.00 WAT +ATOM 28207 H2 TIP3 7299 0.773 24.619 -24.729 1.00 0.00 WAT +ATOM 28208 OH2 TIP3 7300 2.367 24.300 -6.947 1.00 0.00 WAT +ATOM 28209 H1 TIP3 7300 1.901 24.545 -7.756 1.00 0.00 WAT +ATOM 28210 H2 TIP3 7300 2.345 23.323 -6.961 1.00 0.00 WAT +ATOM 28211 OH2 TIP3 7301 5.217 25.893 -24.697 1.00 0.00 WAT +ATOM 28212 H1 TIP3 7301 5.166 25.885 -23.718 1.00 0.00 WAT +ATOM 28213 H2 TIP3 7301 5.038 24.954 -24.890 1.00 0.00 WAT +ATOM 28214 OH2 TIP3 7302 7.691 24.082 -9.621 1.00 0.00 WAT +ATOM 28215 H1 TIP3 7302 8.480 24.590 -9.864 1.00 0.00 WAT +ATOM 28216 H2 TIP3 7302 7.007 24.767 -9.647 1.00 0.00 WAT +ATOM 28217 OH2 TIP3 7303 0.966 22.747 -21.996 1.00 0.00 WAT +ATOM 28218 H1 TIP3 7303 0.429 22.185 -21.423 1.00 0.00 WAT +ATOM 28219 H2 TIP3 7303 1.336 22.087 -22.621 1.00 0.00 WAT +ATOM 28220 OH2 TIP3 7304 2.055 20.802 -23.646 1.00 0.00 WAT +ATOM 28221 H1 TIP3 7304 1.992 20.639 -24.599 1.00 0.00 WAT +ATOM 28222 H2 TIP3 7304 3.023 20.777 -23.510 1.00 0.00 WAT +ATOM 28223 OH2 TIP3 7305 5.386 23.035 -6.388 1.00 0.00 WAT +ATOM 28224 H1 TIP3 7305 6.346 23.007 -6.514 1.00 0.00 WAT +ATOM 28225 H2 TIP3 7305 5.257 22.365 -5.708 1.00 0.00 WAT +ATOM 28226 OH2 TIP3 7306 11.402 23.248 -24.349 1.00 0.00 WAT +ATOM 28227 H1 TIP3 7306 11.226 22.820 -25.195 1.00 0.00 WAT +ATOM 28228 H2 TIP3 7306 11.290 24.190 -24.589 1.00 0.00 WAT +ATOM 28229 OH2 TIP3 7307 2.650 21.572 -10.537 1.00 0.00 WAT +ATOM 28230 H1 TIP3 7307 3.460 21.496 -11.066 1.00 0.00 WAT +ATOM 28231 H2 TIP3 7307 2.302 22.425 -10.868 1.00 0.00 WAT +ATOM 28232 OH2 TIP3 7308 8.450 22.529 -7.531 1.00 0.00 WAT +ATOM 28233 H1 TIP3 7308 8.088 23.160 -8.189 1.00 0.00 WAT +ATOM 28234 H2 TIP3 7308 9.361 22.435 -7.884 1.00 0.00 WAT +ATOM 28235 OH2 TIP3 7309 1.728 31.901 -22.569 1.00 0.00 WAT +ATOM 28236 H1 TIP3 7309 2.679 32.061 -22.491 1.00 0.00 WAT +ATOM 28237 H2 TIP3 7309 1.531 32.392 -23.378 1.00 0.00 WAT +ATOM 28238 OH2 TIP3 7310 -4.354 26.344 -23.012 1.00 0.00 WAT +ATOM 28239 H1 TIP3 7310 -3.397 26.533 -22.923 1.00 0.00 WAT +ATOM 28240 H2 TIP3 7310 -4.355 25.583 -23.625 1.00 0.00 WAT +ATOM 28241 OH2 TIP3 7311 -5.340 31.554 -18.338 1.00 0.00 WAT +ATOM 28242 H1 TIP3 7311 -6.070 31.233 -18.903 1.00 0.00 WAT +ATOM 28243 H2 TIP3 7311 -5.314 30.861 -17.651 1.00 0.00 WAT +ATOM 28244 OH2 TIP3 7312 -5.013 29.541 -16.347 1.00 0.00 WAT +ATOM 28245 H1 TIP3 7312 -5.390 28.711 -16.015 1.00 0.00 WAT +ATOM 28246 H2 TIP3 7312 -4.739 29.934 -15.506 1.00 0.00 WAT +ATOM 28247 OH2 TIP3 7313 12.557 30.902 -13.350 1.00 0.00 WAT +ATOM 28248 H1 TIP3 7313 12.702 30.820 -12.395 1.00 0.00 WAT +ATOM 28249 H2 TIP3 7313 13.448 31.115 -13.662 1.00 0.00 WAT +ATOM 28250 OH2 TIP3 7314 12.452 30.290 -10.471 1.00 0.00 WAT +ATOM 28251 H1 TIP3 7314 11.937 29.534 -10.812 1.00 0.00 WAT +ATOM 28252 H2 TIP3 7314 13.007 29.832 -9.820 1.00 0.00 WAT +ATOM 28253 OH2 TIP3 7315 10.443 25.717 -6.176 1.00 0.00 WAT +ATOM 28254 H1 TIP3 7315 9.570 25.768 -5.756 1.00 0.00 WAT +ATOM 28255 H2 TIP3 7315 10.896 26.512 -5.853 1.00 0.00 WAT +ATOM 28256 OH2 TIP3 7316 11.831 24.641 -20.445 1.00 0.00 WAT +ATOM 28257 H1 TIP3 7316 12.738 24.944 -20.262 1.00 0.00 WAT +ATOM 28258 H2 TIP3 7316 11.724 23.993 -19.725 1.00 0.00 WAT +ATOM 28259 OH2 TIP3 7317 12.310 22.604 -18.490 1.00 0.00 WAT +ATOM 28260 H1 TIP3 7317 11.626 22.024 -18.088 1.00 0.00 WAT +ATOM 28261 H2 TIP3 7317 12.973 22.681 -17.777 1.00 0.00 WAT +ATOM 28262 OH2 TIP3 7318 12.043 25.087 -13.464 1.00 0.00 WAT +ATOM 28263 H1 TIP3 7318 12.639 24.574 -14.033 1.00 0.00 WAT +ATOM 28264 H2 TIP3 7318 12.171 25.990 -13.797 1.00 0.00 WAT +ATOM 28265 OH2 TIP3 7319 10.764 28.031 -11.260 1.00 0.00 WAT +ATOM 28266 H1 TIP3 7319 10.025 28.378 -10.731 1.00 0.00 WAT +ATOM 28267 H2 TIP3 7319 10.298 27.620 -12.016 1.00 0.00 WAT +ATOM 28268 OH2 TIP3 7320 12.620 22.047 -21.904 1.00 0.00 WAT +ATOM 28269 H1 TIP3 7320 12.046 22.314 -22.646 1.00 0.00 WAT +ATOM 28270 H2 TIP3 7320 12.440 22.758 -21.268 1.00 0.00 WAT +ATOM 28271 OH2 TIP3 7321 10.951 19.505 -23.631 1.00 0.00 WAT +ATOM 28272 H1 TIP3 7321 11.064 20.212 -24.280 1.00 0.00 WAT +ATOM 28273 H2 TIP3 7321 10.613 18.775 -24.171 1.00 0.00 WAT +ATOM 28274 OH2 TIP3 7322 10.400 20.711 -17.666 1.00 0.00 WAT +ATOM 28275 H1 TIP3 7322 9.972 19.923 -18.026 1.00 0.00 WAT +ATOM 28276 H2 TIP3 7322 9.672 21.118 -17.171 1.00 0.00 WAT +ATOM 28277 OH2 TIP3 7323 -4.841 22.935 -13.946 1.00 0.00 WAT +ATOM 28278 H1 TIP3 7323 -4.568 22.940 -14.881 1.00 0.00 WAT +ATOM 28279 H2 TIP3 7323 -3.999 22.680 -13.520 1.00 0.00 WAT +ATOM 28280 OH2 TIP3 7324 11.026 22.644 -8.502 1.00 0.00 WAT +ATOM 28281 H1 TIP3 7324 11.685 21.933 -8.402 1.00 0.00 WAT +ATOM 28282 H2 TIP3 7324 11.586 23.424 -8.606 1.00 0.00 WAT +ATOM 28283 OH2 TIP3 7325 12.831 20.737 -7.472 1.00 0.00 WAT +ATOM 28284 H1 TIP3 7325 11.960 20.296 -7.423 1.00 0.00 WAT +ATOM 28285 H2 TIP3 7325 13.435 20.013 -7.270 1.00 0.00 WAT +ATOM 28286 OH2 TIP3 7326 10.249 16.727 -24.538 1.00 0.00 WAT +ATOM 28287 H1 TIP3 7326 10.898 16.453 -23.862 1.00 0.00 WAT +ATOM 28288 H2 TIP3 7326 9.405 16.525 -24.118 1.00 0.00 WAT +ATOM 28289 OH2 TIP3 7327 9.944 18.215 -19.474 1.00 0.00 WAT +ATOM 28290 H1 TIP3 7327 10.292 17.303 -19.410 1.00 0.00 WAT +ATOM 28291 H2 TIP3 7327 10.704 18.667 -19.878 1.00 0.00 WAT +ATOM 28292 OH2 TIP3 7328 10.322 18.752 -14.090 1.00 0.00 WAT +ATOM 28293 H1 TIP3 7328 11.284 18.910 -14.154 1.00 0.00 WAT +ATOM 28294 H2 TIP3 7328 10.202 18.896 -13.130 1.00 0.00 WAT +ATOM 28295 OH2 TIP3 7329 10.430 19.484 -11.387 1.00 0.00 WAT +ATOM 28296 H1 TIP3 7329 9.631 19.870 -10.975 1.00 0.00 WAT +ATOM 28297 H2 TIP3 7329 11.004 20.267 -11.478 1.00 0.00 WAT +ATOM 28298 OH2 TIP3 7330 10.596 15.387 -19.388 1.00 0.00 WAT +ATOM 28299 H1 TIP3 7330 10.601 15.035 -18.481 1.00 0.00 WAT +ATOM 28300 H2 TIP3 7330 9.813 14.934 -19.752 1.00 0.00 WAT +ATOM 28301 OH2 TIP3 7331 -3.942 16.642 -14.645 1.00 0.00 WAT +ATOM 28302 H1 TIP3 7331 -3.647 15.720 -14.525 1.00 0.00 WAT +ATOM 28303 H2 TIP3 7331 -3.230 17.122 -14.214 1.00 0.00 WAT +ATOM 28304 OH2 TIP3 7332 -5.658 19.354 -13.700 1.00 0.00 WAT +ATOM 28305 H1 TIP3 7332 -5.050 19.139 -14.422 1.00 0.00 WAT +ATOM 28306 H2 TIP3 7332 -5.219 20.119 -13.312 1.00 0.00 WAT +ATOM 28307 OH2 TIP3 7333 12.511 15.918 -22.885 1.00 0.00 WAT +ATOM 28308 H1 TIP3 7333 12.835 15.104 -23.302 1.00 0.00 WAT +ATOM 28309 H2 TIP3 7333 13.335 16.408 -22.724 1.00 0.00 WAT +ATOM 28310 OH2 TIP3 7334 -5.169 15.605 -19.631 1.00 0.00 WAT +ATOM 28311 H1 TIP3 7334 -6.120 15.668 -19.817 1.00 0.00 WAT +ATOM 28312 H2 TIP3 7334 -4.770 16.215 -20.281 1.00 0.00 WAT +ATOM 28313 OH2 TIP3 7335 9.419 30.971 -17.545 1.00 0.00 WAT +ATOM 28314 H1 TIP3 7335 9.872 30.638 -18.339 1.00 0.00 WAT +ATOM 28315 H2 TIP3 7335 10.165 31.241 -16.997 1.00 0.00 WAT +ATOM 28316 OH2 TIP3 7336 -3.090 27.659 -6.839 1.00 0.00 WAT +ATOM 28317 H1 TIP3 7336 -3.829 27.603 -7.460 1.00 0.00 WAT +ATOM 28318 H2 TIP3 7336 -3.537 27.431 -5.994 1.00 0.00 WAT +ATOM 28319 OH2 TIP3 7337 -0.299 28.561 -11.187 1.00 0.00 WAT +ATOM 28320 H1 TIP3 7337 -0.617 29.441 -11.450 1.00 0.00 WAT +ATOM 28321 H2 TIP3 7337 0.660 28.679 -11.366 1.00 0.00 WAT +ATOM 28322 OH2 TIP3 7338 4.187 29.909 -8.120 1.00 0.00 WAT +ATOM 28323 H1 TIP3 7338 4.335 29.721 -7.178 1.00 0.00 WAT +ATOM 28324 H2 TIP3 7338 5.031 30.336 -8.369 1.00 0.00 WAT +ATOM 28325 OH2 TIP3 7339 6.488 31.355 -8.896 1.00 0.00 WAT +ATOM 28326 H1 TIP3 7339 7.175 30.707 -9.114 1.00 0.00 WAT +ATOM 28327 H2 TIP3 7339 6.788 31.659 -8.017 1.00 0.00 WAT +ATOM 28328 OH2 TIP3 7340 11.752 14.237 -9.891 1.00 0.00 WAT +ATOM 28329 H1 TIP3 7340 10.843 14.516 -9.731 1.00 0.00 WAT +ATOM 28330 H2 TIP3 7340 11.715 13.322 -9.603 1.00 0.00 WAT +ATOM 28331 OH2 TIP3 7341 -2.959 31.536 -10.850 1.00 0.00 WAT +ATOM 28332 H1 TIP3 7341 -3.569 32.191 -11.241 1.00 0.00 WAT +ATOM 28333 H2 TIP3 7341 -3.244 31.569 -9.927 1.00 0.00 WAT +ATOM 28334 OH2 TIP3 7342 -0.527 31.278 -12.376 1.00 0.00 WAT +ATOM 28335 H1 TIP3 7342 -1.312 31.500 -11.837 1.00 0.00 WAT +ATOM 28336 H2 TIP3 7342 -0.423 32.084 -12.919 1.00 0.00 WAT +ATOM 28337 OH2 TIP3 7343 4.272 31.353 -12.703 1.00 0.00 WAT +ATOM 28338 H1 TIP3 7343 4.028 31.909 -13.455 1.00 0.00 WAT +ATOM 28339 H2 TIP3 7343 4.404 32.025 -12.004 1.00 0.00 WAT +ATOM 28340 OH2 TIP3 7344 6.640 30.036 -11.776 1.00 0.00 WAT +ATOM 28341 H1 TIP3 7344 5.794 30.389 -12.101 1.00 0.00 WAT +ATOM 28342 H2 TIP3 7344 7.201 30.825 -11.776 1.00 0.00 WAT +ATOM 28343 OH2 TIP3 7345 9.155 31.761 -11.580 1.00 0.00 WAT +ATOM 28344 H1 TIP3 7345 9.130 32.711 -11.809 1.00 0.00 WAT +ATOM 28345 H2 TIP3 7345 9.446 31.377 -12.424 1.00 0.00 WAT +ATOM 28346 OH2 TIP3 7346 -3.115 30.150 -13.948 1.00 0.00 WAT +ATOM 28347 H1 TIP3 7346 -3.366 29.786 -13.071 1.00 0.00 WAT +ATOM 28348 H2 TIP3 7346 -2.208 29.844 -13.985 1.00 0.00 WAT +ATOM 28349 OH2 TIP3 7347 4.922 15.469 -15.280 1.00 0.00 WAT +ATOM 28350 H1 TIP3 7347 4.130 14.983 -15.017 1.00 0.00 WAT +ATOM 28351 H2 TIP3 7347 5.192 15.011 -16.087 1.00 0.00 WAT +ATOM 28352 OH2 TIP3 7348 11.553 14.398 -16.632 1.00 0.00 WAT +ATOM 28353 H1 TIP3 7348 12.261 14.019 -17.168 1.00 0.00 WAT +ATOM 28354 H2 TIP3 7348 11.839 15.322 -16.530 1.00 0.00 WAT +ATOM 28355 OH2 TIP3 7349 -2.671 13.791 -17.731 1.00 0.00 WAT +ATOM 28356 H1 TIP3 7349 -3.578 13.719 -18.088 1.00 0.00 WAT +ATOM 28357 H2 TIP3 7349 -2.419 12.871 -17.639 1.00 0.00 WAT +ATOM 28358 OH2 TIP3 7350 -4.068 13.616 -21.778 1.00 0.00 WAT +ATOM 28359 H1 TIP3 7350 -3.550 14.270 -22.284 1.00 0.00 WAT +ATOM 28360 H2 TIP3 7350 -4.454 14.163 -21.075 1.00 0.00 WAT +ATOM 28361 OH2 TIP3 7351 1.528 13.828 -17.693 1.00 0.00 WAT +ATOM 28362 H1 TIP3 7351 2.430 14.157 -17.830 1.00 0.00 WAT +ATOM 28363 H2 TIP3 7351 1.489 13.721 -16.735 1.00 0.00 WAT +ATOM 28364 OH2 TIP3 7352 8.220 14.008 -20.601 1.00 0.00 WAT +ATOM 28365 H1 TIP3 7352 7.419 14.567 -20.589 1.00 0.00 WAT +ATOM 28366 H2 TIP3 7352 7.896 13.201 -20.154 1.00 0.00 WAT +ATOM 28367 OH2 TIP3 7353 -3.894 29.589 -20.689 1.00 0.00 WAT +ATOM 28368 H1 TIP3 7353 -4.558 29.474 -21.387 1.00 0.00 WAT +ATOM 28369 H2 TIP3 7353 -3.953 30.548 -20.565 1.00 0.00 WAT +ATOM 28370 OH2 TIP3 7354 -2.380 15.452 -23.353 1.00 0.00 WAT +ATOM 28371 H1 TIP3 7354 -1.765 14.909 -23.875 1.00 0.00 WAT +ATOM 28372 H2 TIP3 7354 -1.777 15.808 -22.672 1.00 0.00 WAT +ATOM 28373 OH2 TIP3 7355 2.676 15.721 -20.711 1.00 0.00 WAT +ATOM 28374 H1 TIP3 7355 3.074 15.145 -20.040 1.00 0.00 WAT +ATOM 28375 H2 TIP3 7355 2.909 16.593 -20.366 1.00 0.00 WAT +ATOM 28376 OH2 TIP3 7356 4.788 31.450 -22.506 1.00 0.00 WAT +ATOM 28377 H1 TIP3 7356 5.759 31.417 -22.570 1.00 0.00 WAT +ATOM 28378 H2 TIP3 7356 4.550 30.791 -23.179 1.00 0.00 WAT +ATOM 28379 OH2 TIP3 7357 11.243 30.459 -19.935 1.00 0.00 WAT +ATOM 28380 H1 TIP3 7357 11.042 29.588 -20.336 1.00 0.00 WAT +ATOM 28381 H2 TIP3 7357 11.285 31.021 -20.724 1.00 0.00 WAT +ATOM 28382 OH2 TIP3 7358 -2.484 30.530 -23.852 1.00 0.00 WAT +ATOM 28383 H1 TIP3 7358 -2.727 30.833 -22.964 1.00 0.00 WAT +ATOM 28384 H2 TIP3 7358 -1.689 29.998 -23.687 1.00 0.00 WAT +ATOM 28385 OH2 TIP3 7359 10.771 29.236 -7.549 1.00 0.00 WAT +ATOM 28386 H1 TIP3 7359 10.035 29.029 -8.153 1.00 0.00 WAT +ATOM 28387 H2 TIP3 7359 10.585 30.172 -7.348 1.00 0.00 WAT +ATOM 28388 OH2 TIP3 7360 25.095 22.898 -17.562 1.00 0.00 WAT +ATOM 28389 H1 TIP3 7360 25.043 23.826 -17.282 1.00 0.00 WAT +ATOM 28390 H2 TIP3 7360 24.234 22.778 -17.984 1.00 0.00 WAT +ATOM 28391 OH2 TIP3 7361 23.901 22.288 -14.396 1.00 0.00 WAT +ATOM 28392 H1 TIP3 7361 23.823 21.816 -13.548 1.00 0.00 WAT +ATOM 28393 H2 TIP3 7361 23.515 21.642 -15.005 1.00 0.00 WAT +ATOM 28394 OH2 TIP3 7362 16.300 21.945 -12.677 1.00 0.00 WAT +ATOM 28395 H1 TIP3 7362 16.260 21.184 -12.066 1.00 0.00 WAT +ATOM 28396 H2 TIP3 7362 16.999 22.470 -12.262 1.00 0.00 WAT +ATOM 28397 OH2 TIP3 7363 27.466 25.068 -16.026 1.00 0.00 WAT +ATOM 28398 H1 TIP3 7363 27.123 24.387 -15.431 1.00 0.00 WAT +ATOM 28399 H2 TIP3 7363 27.837 25.687 -15.376 1.00 0.00 WAT +ATOM 28400 OH2 TIP3 7364 16.946 26.581 -14.192 1.00 0.00 WAT +ATOM 28401 H1 TIP3 7364 16.706 25.659 -14.432 1.00 0.00 WAT +ATOM 28402 H2 TIP3 7364 17.866 26.443 -13.925 1.00 0.00 WAT +ATOM 28403 OH2 TIP3 7365 13.935 19.940 -18.803 1.00 0.00 WAT +ATOM 28404 H1 TIP3 7365 13.537 20.814 -18.661 1.00 0.00 WAT +ATOM 28405 H2 TIP3 7365 13.194 19.462 -19.196 1.00 0.00 WAT +ATOM 28406 OH2 TIP3 7366 14.763 22.419 -16.925 1.00 0.00 WAT +ATOM 28407 H1 TIP3 7366 14.896 21.588 -16.430 1.00 0.00 WAT +ATOM 28408 H2 TIP3 7366 15.604 22.503 -17.392 1.00 0.00 WAT +ATOM 28409 OH2 TIP3 7367 24.553 30.439 -15.463 1.00 0.00 WAT +ATOM 28410 H1 TIP3 7367 25.141 29.726 -15.775 1.00 0.00 WAT +ATOM 28411 H2 TIP3 7367 24.289 30.107 -14.594 1.00 0.00 WAT +ATOM 28412 OH2 TIP3 7368 22.317 24.844 -13.793 1.00 0.00 WAT +ATOM 28413 H1 TIP3 7368 22.651 24.133 -14.362 1.00 0.00 WAT +ATOM 28414 H2 TIP3 7368 23.123 25.004 -13.263 1.00 0.00 WAT +ATOM 28415 OH2 TIP3 7369 31.025 16.352 -13.190 1.00 0.00 WAT +ATOM 28416 H1 TIP3 7369 31.142 16.972 -12.452 1.00 0.00 WAT +ATOM 28417 H2 TIP3 7369 31.639 16.728 -13.846 1.00 0.00 WAT +ATOM 28418 OH2 TIP3 7370 25.655 19.213 -13.291 1.00 0.00 WAT +ATOM 28419 H1 TIP3 7370 25.790 18.254 -13.218 1.00 0.00 WAT +ATOM 28420 H2 TIP3 7370 25.492 19.312 -14.244 1.00 0.00 WAT +ATOM 28421 OH2 TIP3 7371 18.600 17.228 -16.216 1.00 0.00 WAT +ATOM 28422 H1 TIP3 7371 18.706 18.095 -16.652 1.00 0.00 WAT +ATOM 28423 H2 TIP3 7371 18.201 16.714 -16.940 1.00 0.00 WAT +ATOM 28424 OH2 TIP3 7372 26.427 17.354 -17.916 1.00 0.00 WAT +ATOM 28425 H1 TIP3 7372 27.016 16.959 -17.233 1.00 0.00 WAT +ATOM 28426 H2 TIP3 7372 27.049 17.867 -18.440 1.00 0.00 WAT +ATOM 28427 OH2 TIP3 7373 15.277 19.921 -15.676 1.00 0.00 WAT +ATOM 28428 H1 TIP3 7373 15.897 19.448 -15.093 1.00 0.00 WAT +ATOM 28429 H2 TIP3 7373 15.370 19.418 -16.503 1.00 0.00 WAT +ATOM 28430 OH2 TIP3 7374 20.718 21.286 -16.219 1.00 0.00 WAT +ATOM 28431 H1 TIP3 7374 21.338 20.695 -15.748 1.00 0.00 WAT +ATOM 28432 H2 TIP3 7374 20.167 20.641 -16.699 1.00 0.00 WAT +ATOM 28433 OH2 TIP3 7375 31.656 17.708 -10.650 1.00 0.00 WAT +ATOM 28434 H1 TIP3 7375 31.252 18.523 -11.002 1.00 0.00 WAT +ATOM 28435 H2 TIP3 7375 31.340 17.747 -9.739 1.00 0.00 WAT +ATOM 28436 OH2 TIP3 7376 17.642 15.963 -12.034 1.00 0.00 WAT +ATOM 28437 H1 TIP3 7376 17.371 16.698 -12.595 1.00 0.00 WAT +ATOM 28438 H2 TIP3 7376 17.047 16.088 -11.273 1.00 0.00 WAT +ATOM 28439 OH2 TIP3 7377 24.937 25.787 -18.687 1.00 0.00 WAT +ATOM 28440 H1 TIP3 7377 24.497 25.525 -19.499 1.00 0.00 WAT +ATOM 28441 H2 TIP3 7377 24.445 26.590 -18.436 1.00 0.00 WAT +ATOM 28442 OH2 TIP3 7378 20.321 23.866 -11.903 1.00 0.00 WAT +ATOM 28443 H1 TIP3 7378 19.571 24.446 -11.653 1.00 0.00 WAT +ATOM 28444 H2 TIP3 7378 20.931 24.490 -12.333 1.00 0.00 WAT +ATOM 28445 OH2 TIP3 7379 28.255 16.622 -15.862 1.00 0.00 WAT +ATOM 28446 H1 TIP3 7379 27.839 16.023 -15.226 1.00 0.00 WAT +ATOM 28447 H2 TIP3 7379 28.745 17.220 -15.268 1.00 0.00 WAT +ATOM 28448 OH2 TIP3 7380 16.959 18.046 -14.101 1.00 0.00 WAT +ATOM 28449 H1 TIP3 7380 17.596 18.615 -13.612 1.00 0.00 WAT +ATOM 28450 H2 TIP3 7380 17.559 17.656 -14.773 1.00 0.00 WAT +ATOM 28451 OH2 TIP3 7381 18.294 25.743 -11.201 1.00 0.00 WAT +ATOM 28452 H1 TIP3 7381 18.248 26.680 -11.467 1.00 0.00 WAT +ATOM 28453 H2 TIP3 7381 17.436 25.650 -10.744 1.00 0.00 WAT +ATOM 28454 OH2 TIP3 7382 14.624 25.448 -20.307 1.00 0.00 WAT +ATOM 28455 H1 TIP3 7382 14.391 25.950 -21.106 1.00 0.00 WAT +ATOM 28456 H2 TIP3 7382 14.770 26.142 -19.632 1.00 0.00 WAT +ATOM 28457 OH2 TIP3 7383 28.059 26.752 -13.570 1.00 0.00 WAT +ATOM 28458 H1 TIP3 7383 27.140 27.063 -13.535 1.00 0.00 WAT +ATOM 28459 H2 TIP3 7383 28.525 27.529 -13.917 1.00 0.00 WAT +ATOM 28460 OH2 TIP3 7384 28.412 15.762 -11.954 1.00 0.00 WAT +ATOM 28461 H1 TIP3 7384 27.627 16.124 -12.402 1.00 0.00 WAT +ATOM 28462 H2 TIP3 7384 29.105 15.875 -12.627 1.00 0.00 WAT +ATOM 28463 OH2 TIP3 7385 21.493 13.516 -14.951 1.00 0.00 WAT +ATOM 28464 H1 TIP3 7385 21.285 12.562 -14.949 1.00 0.00 WAT +ATOM 28465 H2 TIP3 7385 20.653 13.890 -14.602 1.00 0.00 WAT +ATOM 28466 OH2 TIP3 7386 26.353 28.838 -17.002 1.00 0.00 WAT +ATOM 28467 H1 TIP3 7386 26.862 28.041 -17.234 1.00 0.00 WAT +ATOM 28468 H2 TIP3 7386 27.042 29.527 -17.043 1.00 0.00 WAT +ATOM 28469 OH2 TIP3 7387 27.876 26.626 -18.424 1.00 0.00 WAT +ATOM 28470 H1 TIP3 7387 27.173 26.244 -18.967 1.00 0.00 WAT +ATOM 28471 H2 TIP3 7387 27.809 26.087 -17.613 1.00 0.00 WAT +ATOM 28472 OH2 TIP3 7388 29.125 25.403 -9.984 1.00 0.00 WAT +ATOM 28473 H1 TIP3 7388 29.347 24.718 -10.651 1.00 0.00 WAT +ATOM 28474 H2 TIP3 7388 29.488 26.204 -10.392 1.00 0.00 WAT +ATOM 28475 OH2 TIP3 7389 23.621 22.403 -20.170 1.00 0.00 WAT +ATOM 28476 H1 TIP3 7389 22.944 23.024 -20.503 1.00 0.00 WAT +ATOM 28477 H2 TIP3 7389 24.313 22.487 -20.840 1.00 0.00 WAT +ATOM 28478 OH2 TIP3 7390 23.932 20.579 -23.053 1.00 0.00 WAT +ATOM 28479 H1 TIP3 7390 24.651 20.933 -22.501 1.00 0.00 WAT +ATOM 28480 H2 TIP3 7390 24.425 20.067 -23.708 1.00 0.00 WAT +ATOM 28481 OH2 TIP3 7391 27.388 22.027 -18.787 1.00 0.00 WAT +ATOM 28482 H1 TIP3 7391 26.645 22.607 -18.506 1.00 0.00 WAT +ATOM 28483 H2 TIP3 7391 27.463 21.550 -17.947 1.00 0.00 WAT +ATOM 28484 OH2 TIP3 7392 26.951 20.897 -10.222 1.00 0.00 WAT +ATOM 28485 H1 TIP3 7392 26.994 21.668 -9.636 1.00 0.00 WAT +ATOM 28486 H2 TIP3 7392 26.357 21.252 -10.904 1.00 0.00 WAT +ATOM 28487 OH2 TIP3 7393 18.745 23.204 -17.328 1.00 0.00 WAT +ATOM 28488 H1 TIP3 7393 18.414 22.749 -18.125 1.00 0.00 WAT +ATOM 28489 H2 TIP3 7393 19.354 22.544 -16.955 1.00 0.00 WAT +ATOM 28490 OH2 TIP3 7394 20.109 26.623 -14.576 1.00 0.00 WAT +ATOM 28491 H1 TIP3 7394 19.980 26.182 -15.426 1.00 0.00 WAT +ATOM 28492 H2 TIP3 7394 20.886 26.146 -14.225 1.00 0.00 WAT +ATOM 28493 OH2 TIP3 7395 19.289 22.077 -13.875 1.00 0.00 WAT +ATOM 28494 H1 TIP3 7395 19.934 22.065 -14.605 1.00 0.00 WAT +ATOM 28495 H2 TIP3 7395 19.704 22.673 -13.225 1.00 0.00 WAT +ATOM 28496 OH2 TIP3 7396 25.186 27.546 -13.247 1.00 0.00 WAT +ATOM 28497 H1 TIP3 7396 25.286 28.195 -12.530 1.00 0.00 WAT +ATOM 28498 H2 TIP3 7396 25.060 26.706 -12.773 1.00 0.00 WAT +ATOM 28499 OH2 TIP3 7397 20.155 26.331 -8.978 1.00 0.00 WAT +ATOM 28500 H1 TIP3 7397 19.632 26.989 -8.486 1.00 0.00 WAT +ATOM 28501 H2 TIP3 7397 19.515 26.046 -9.657 1.00 0.00 WAT +ATOM 28502 OH2 TIP3 7398 26.177 21.706 -21.536 1.00 0.00 WAT +ATOM 28503 H1 TIP3 7398 26.669 22.031 -20.763 1.00 0.00 WAT +ATOM 28504 H2 TIP3 7398 26.599 22.251 -22.250 1.00 0.00 WAT +ATOM 28505 OH2 TIP3 7399 17.115 22.768 -9.910 1.00 0.00 WAT +ATOM 28506 H1 TIP3 7399 17.168 23.240 -9.063 1.00 0.00 WAT +ATOM 28507 H2 TIP3 7399 16.175 22.516 -9.929 1.00 0.00 WAT +ATOM 28508 OH2 TIP3 7400 23.536 28.463 -18.060 1.00 0.00 WAT +ATOM 28509 H1 TIP3 7400 24.017 28.750 -17.274 1.00 0.00 WAT +ATOM 28510 H2 TIP3 7400 23.039 29.256 -18.313 1.00 0.00 WAT +ATOM 28511 OH2 TIP3 7401 18.245 28.526 -8.149 1.00 0.00 WAT +ATOM 28512 H1 TIP3 7401 18.135 28.535 -9.115 1.00 0.00 WAT +ATOM 28513 H2 TIP3 7401 17.369 28.239 -7.828 1.00 0.00 WAT +ATOM 28514 OH2 TIP3 7402 29.516 13.632 -22.107 1.00 0.00 WAT +ATOM 28515 H1 TIP3 7402 28.649 13.726 -21.667 1.00 0.00 WAT +ATOM 28516 H2 TIP3 7402 29.866 14.534 -22.058 1.00 0.00 WAT +ATOM 28517 OH2 TIP3 7403 17.644 21.939 -19.768 1.00 0.00 WAT +ATOM 28518 H1 TIP3 7403 17.427 22.700 -20.333 1.00 0.00 WAT +ATOM 28519 H2 TIP3 7403 16.980 21.291 -20.041 1.00 0.00 WAT +ATOM 28520 OH2 TIP3 7404 30.910 27.751 -23.603 1.00 0.00 WAT +ATOM 28521 H1 TIP3 7404 31.064 28.685 -23.360 1.00 0.00 WAT +ATOM 28522 H2 TIP3 7404 31.774 27.345 -23.395 1.00 0.00 WAT +ATOM 28523 OH2 TIP3 7405 13.694 24.613 -11.036 1.00 0.00 WAT +ATOM 28524 H1 TIP3 7405 13.259 24.590 -11.910 1.00 0.00 WAT +ATOM 28525 H2 TIP3 7405 13.871 23.667 -10.872 1.00 0.00 WAT +ATOM 28526 OH2 TIP3 7406 13.773 27.578 -14.131 1.00 0.00 WAT +ATOM 28527 H1 TIP3 7406 14.675 27.228 -14.074 1.00 0.00 WAT +ATOM 28528 H2 TIP3 7406 13.728 28.117 -13.329 1.00 0.00 WAT +ATOM 28529 OH2 TIP3 7407 32.125 28.007 -8.293 1.00 0.00 WAT +ATOM 28530 H1 TIP3 7407 31.985 27.052 -8.473 1.00 0.00 WAT +ATOM 28531 H2 TIP3 7407 31.211 28.276 -8.066 1.00 0.00 WAT +ATOM 28532 OH2 TIP3 7408 22.786 27.374 -9.540 1.00 0.00 WAT +ATOM 28533 H1 TIP3 7408 22.862 28.198 -9.019 1.00 0.00 WAT +ATOM 28534 H2 TIP3 7408 21.883 27.076 -9.309 1.00 0.00 WAT +ATOM 28535 OH2 TIP3 7409 23.059 31.192 -19.572 1.00 0.00 WAT +ATOM 28536 H1 TIP3 7409 23.088 31.289 -20.539 1.00 0.00 WAT +ATOM 28537 H2 TIP3 7409 23.127 32.107 -19.257 1.00 0.00 WAT +ATOM 28538 OH2 TIP3 7410 16.868 30.343 -17.927 1.00 0.00 WAT +ATOM 28539 H1 TIP3 7410 17.042 29.880 -17.081 1.00 0.00 WAT +ATOM 28540 H2 TIP3 7410 16.070 29.887 -18.227 1.00 0.00 WAT +ATOM 28541 OH2 TIP3 7411 26.376 30.606 -22.395 1.00 0.00 WAT +ATOM 28542 H1 TIP3 7411 26.949 29.946 -22.830 1.00 0.00 WAT +ATOM 28543 H2 TIP3 7411 26.318 30.241 -21.488 1.00 0.00 WAT +ATOM 28544 OH2 TIP3 7412 25.767 30.034 -19.597 1.00 0.00 WAT +ATOM 28545 H1 TIP3 7412 24.815 30.155 -19.436 1.00 0.00 WAT +ATOM 28546 H2 TIP3 7412 25.961 29.354 -18.927 1.00 0.00 WAT +ATOM 28547 OH2 TIP3 7413 28.754 19.421 -7.731 1.00 0.00 WAT +ATOM 28548 H1 TIP3 7413 28.771 20.014 -8.491 1.00 0.00 WAT +ATOM 28549 H2 TIP3 7413 29.038 18.584 -8.139 1.00 0.00 WAT +ATOM 28550 OH2 TIP3 7414 15.878 26.177 -9.781 1.00 0.00 WAT +ATOM 28551 H1 TIP3 7414 16.180 25.690 -8.985 1.00 0.00 WAT +ATOM 28552 H2 TIP3 7414 15.171 25.603 -10.127 1.00 0.00 WAT +ATOM 28553 OH2 TIP3 7415 19.009 14.600 -14.144 1.00 0.00 WAT +ATOM 28554 H1 TIP3 7415 18.087 14.413 -14.392 1.00 0.00 WAT +ATOM 28555 H2 TIP3 7415 18.866 15.247 -13.425 1.00 0.00 WAT +ATOM 28556 OH2 TIP3 7416 23.371 14.012 -10.257 1.00 0.00 WAT +ATOM 28557 H1 TIP3 7416 23.812 13.486 -9.569 1.00 0.00 WAT +ATOM 28558 H2 TIP3 7416 22.432 13.886 -10.085 1.00 0.00 WAT +ATOM 28559 OH2 TIP3 7417 26.519 17.965 -9.886 1.00 0.00 WAT +ATOM 28560 H1 TIP3 7417 26.076 17.896 -9.025 1.00 0.00 WAT +ATOM 28561 H2 TIP3 7417 26.625 18.928 -10.003 1.00 0.00 WAT +ATOM 28562 OH2 TIP3 7418 27.607 22.861 -23.588 1.00 0.00 WAT +ATOM 28563 H1 TIP3 7418 27.404 22.757 -24.537 1.00 0.00 WAT +ATOM 28564 H2 TIP3 7418 28.518 23.203 -23.636 1.00 0.00 WAT +ATOM 28565 OH2 TIP3 7419 23.322 16.711 -23.120 1.00 0.00 WAT +ATOM 28566 H1 TIP3 7419 22.803 16.598 -22.308 1.00 0.00 WAT +ATOM 28567 H2 TIP3 7419 22.889 16.056 -23.694 1.00 0.00 WAT +ATOM 28568 OH2 TIP3 7420 18.852 19.442 -12.691 1.00 0.00 WAT +ATOM 28569 H1 TIP3 7420 18.437 19.538 -11.819 1.00 0.00 WAT +ATOM 28570 H2 TIP3 7420 18.946 20.368 -12.990 1.00 0.00 WAT +ATOM 28571 OH2 TIP3 7421 18.886 19.526 -17.757 1.00 0.00 WAT +ATOM 28572 H1 TIP3 7421 17.928 19.420 -17.900 1.00 0.00 WAT +ATOM 28573 H2 TIP3 7421 19.226 19.292 -18.642 1.00 0.00 WAT +ATOM 28574 OH2 TIP3 7422 24.513 20.051 -18.998 1.00 0.00 WAT +ATOM 28575 H1 TIP3 7422 24.066 20.884 -19.264 1.00 0.00 WAT +ATOM 28576 H2 TIP3 7422 25.192 19.998 -19.675 1.00 0.00 WAT +ATOM 28577 OH2 TIP3 7423 23.773 20.341 -7.678 1.00 0.00 WAT +ATOM 28578 H1 TIP3 7423 23.209 19.651 -7.283 1.00 0.00 WAT +ATOM 28579 H2 TIP3 7423 24.638 20.154 -7.267 1.00 0.00 WAT +ATOM 28580 OH2 TIP3 7424 25.299 19.474 -16.169 1.00 0.00 WAT +ATOM 28581 H1 TIP3 7424 24.980 20.019 -16.913 1.00 0.00 WAT +ATOM 28582 H2 TIP3 7424 25.496 18.642 -16.637 1.00 0.00 WAT +ATOM 28583 OH2 TIP3 7425 16.207 19.638 -10.777 1.00 0.00 WAT +ATOM 28584 H1 TIP3 7425 16.657 19.845 -9.949 1.00 0.00 WAT +ATOM 28585 H2 TIP3 7425 15.972 18.701 -10.641 1.00 0.00 WAT +ATOM 28586 OH2 TIP3 7426 19.720 17.169 -24.229 1.00 0.00 WAT +ATOM 28587 H1 TIP3 7426 19.365 16.832 -23.380 1.00 0.00 WAT +ATOM 28588 H2 TIP3 7426 18.913 17.312 -24.739 1.00 0.00 WAT +ATOM 28589 OH2 TIP3 7427 13.079 16.926 -17.112 1.00 0.00 WAT +ATOM 28590 H1 TIP3 7427 13.701 16.938 -16.361 1.00 0.00 WAT +ATOM 28591 H2 TIP3 7427 13.610 16.559 -17.828 1.00 0.00 WAT +ATOM 28592 OH2 TIP3 7428 14.715 17.462 -21.431 1.00 0.00 WAT +ATOM 28593 H1 TIP3 7428 15.272 17.957 -22.065 1.00 0.00 WAT +ATOM 28594 H2 TIP3 7428 14.020 18.119 -21.242 1.00 0.00 WAT +ATOM 28595 OH2 TIP3 7429 24.445 21.146 -11.753 1.00 0.00 WAT +ATOM 28596 H1 TIP3 7429 24.900 20.414 -12.227 1.00 0.00 WAT +ATOM 28597 H2 TIP3 7429 24.163 20.710 -10.940 1.00 0.00 WAT +ATOM 28598 OH2 TIP3 7430 21.639 17.073 -16.716 1.00 0.00 WAT +ATOM 28599 H1 TIP3 7430 20.695 17.057 -16.473 1.00 0.00 WAT +ATOM 28600 H2 TIP3 7430 22.054 16.904 -15.853 1.00 0.00 WAT +ATOM 28601 OH2 TIP3 7431 16.217 18.311 -18.042 1.00 0.00 WAT +ATOM 28602 H1 TIP3 7431 15.398 18.589 -18.493 1.00 0.00 WAT +ATOM 28603 H2 TIP3 7431 16.491 17.515 -18.535 1.00 0.00 WAT +ATOM 28604 OH2 TIP3 7432 19.869 18.624 -20.369 1.00 0.00 WAT +ATOM 28605 H1 TIP3 7432 20.830 18.746 -20.299 1.00 0.00 WAT +ATOM 28606 H2 TIP3 7432 19.600 19.244 -21.069 1.00 0.00 WAT +ATOM 28607 OH2 TIP3 7433 26.038 16.233 -13.702 1.00 0.00 WAT +ATOM 28608 H1 TIP3 7433 25.422 16.222 -12.935 1.00 0.00 WAT +ATOM 28609 H2 TIP3 7433 25.436 15.904 -14.393 1.00 0.00 WAT +ATOM 28610 OH2 TIP3 7434 18.323 19.881 -22.575 1.00 0.00 WAT +ATOM 28611 H1 TIP3 7434 17.720 19.614 -23.286 1.00 0.00 WAT +ATOM 28612 H2 TIP3 7434 19.129 20.083 -23.080 1.00 0.00 WAT +ATOM 28613 OH2 TIP3 7435 29.048 32.020 -7.030 1.00 0.00 WAT +ATOM 28614 H1 TIP3 7435 29.286 32.448 -7.871 1.00 0.00 WAT +ATOM 28615 H2 TIP3 7435 29.775 32.307 -6.451 1.00 0.00 WAT +ATOM 28616 OH2 TIP3 7436 16.979 24.679 -7.607 1.00 0.00 WAT +ATOM 28617 H1 TIP3 7436 17.641 24.728 -6.887 1.00 0.00 WAT +ATOM 28618 H2 TIP3 7436 16.167 24.566 -7.075 1.00 0.00 WAT +ATOM 28619 OH2 TIP3 7437 22.636 19.579 -14.759 1.00 0.00 WAT +ATOM 28620 H1 TIP3 7437 23.365 19.113 -15.185 1.00 0.00 WAT +ATOM 28621 H2 TIP3 7437 22.422 18.975 -14.008 1.00 0.00 WAT +ATOM 28622 OH2 TIP3 7438 17.934 16.030 -18.762 1.00 0.00 WAT +ATOM 28623 H1 TIP3 7438 17.411 15.247 -18.516 1.00 0.00 WAT +ATOM 28624 H2 TIP3 7438 18.761 15.639 -19.073 1.00 0.00 WAT +ATOM 28625 OH2 TIP3 7439 21.678 18.010 -12.670 1.00 0.00 WAT +ATOM 28626 H1 TIP3 7439 20.740 18.235 -12.573 1.00 0.00 WAT +ATOM 28627 H2 TIP3 7439 22.001 18.094 -11.755 1.00 0.00 WAT +ATOM 28628 OH2 TIP3 7440 21.802 24.459 -20.744 1.00 0.00 WAT +ATOM 28629 H1 TIP3 7440 21.034 23.961 -21.098 1.00 0.00 WAT +ATOM 28630 H2 TIP3 7440 21.585 24.523 -19.784 1.00 0.00 WAT +ATOM 28631 OH2 TIP3 7441 29.286 23.588 -12.076 1.00 0.00 WAT +ATOM 28632 H1 TIP3 7441 29.879 23.875 -12.780 1.00 0.00 WAT +ATOM 28633 H2 TIP3 7441 28.441 23.485 -12.537 1.00 0.00 WAT +ATOM 28634 OH2 TIP3 7442 25.928 17.368 -22.709 1.00 0.00 WAT +ATOM 28635 H1 TIP3 7442 24.976 17.266 -22.950 1.00 0.00 WAT +ATOM 28636 H2 TIP3 7442 25.981 18.302 -22.491 1.00 0.00 WAT +ATOM 28637 OH2 TIP3 7443 23.427 24.484 -9.438 1.00 0.00 WAT +ATOM 28638 H1 TIP3 7443 23.118 24.153 -8.585 1.00 0.00 WAT +ATOM 28639 H2 TIP3 7443 23.128 25.406 -9.429 1.00 0.00 WAT +ATOM 28640 OH2 TIP3 7444 27.616 19.246 -20.345 1.00 0.00 WAT +ATOM 28641 H1 TIP3 7444 28.026 18.663 -21.000 1.00 0.00 WAT +ATOM 28642 H2 TIP3 7444 27.062 19.817 -20.908 1.00 0.00 WAT +ATOM 28643 OH2 TIP3 7445 16.922 23.880 -14.929 1.00 0.00 WAT +ATOM 28644 H1 TIP3 7445 17.497 23.753 -15.700 1.00 0.00 WAT +ATOM 28645 H2 TIP3 7445 17.024 23.032 -14.464 1.00 0.00 WAT +ATOM 28646 OH2 TIP3 7446 24.182 25.828 -21.829 1.00 0.00 WAT +ATOM 28647 H1 TIP3 7446 23.943 26.694 -21.440 1.00 0.00 WAT +ATOM 28648 H2 TIP3 7446 23.422 25.287 -21.548 1.00 0.00 WAT +ATOM 28649 OH2 TIP3 7447 14.226 22.156 -9.651 1.00 0.00 WAT +ATOM 28650 H1 TIP3 7447 14.316 21.700 -8.789 1.00 0.00 WAT +ATOM 28651 H2 TIP3 7447 13.635 21.555 -10.132 1.00 0.00 WAT +ATOM 28652 OH2 TIP3 7448 21.173 21.709 -7.725 1.00 0.00 WAT +ATOM 28653 H1 TIP3 7448 20.829 21.403 -8.581 1.00 0.00 WAT +ATOM 28654 H2 TIP3 7448 22.096 21.414 -7.796 1.00 0.00 WAT +ATOM 28655 OH2 TIP3 7449 25.674 27.078 -9.984 1.00 0.00 WAT +ATOM 28656 H1 TIP3 7449 24.707 27.167 -10.009 1.00 0.00 WAT +ATOM 28657 H2 TIP3 7449 25.877 27.319 -9.068 1.00 0.00 WAT +ATOM 28658 OH2 TIP3 7450 30.978 19.267 -20.936 1.00 0.00 WAT +ATOM 28659 H1 TIP3 7450 30.626 18.818 -21.730 1.00 0.00 WAT +ATOM 28660 H2 TIP3 7450 31.233 20.121 -21.347 1.00 0.00 WAT +ATOM 28661 OH2 TIP3 7451 31.622 25.221 -8.349 1.00 0.00 WAT +ATOM 28662 H1 TIP3 7451 30.659 25.130 -8.478 1.00 0.00 WAT +ATOM 28663 H2 TIP3 7451 31.937 24.698 -9.110 1.00 0.00 WAT +ATOM 28664 OH2 TIP3 7452 29.303 27.670 -21.173 1.00 0.00 WAT +ATOM 28665 H1 TIP3 7452 29.215 26.992 -20.486 1.00 0.00 WAT +ATOM 28666 H2 TIP3 7452 30.002 27.333 -21.749 1.00 0.00 WAT +ATOM 28667 OH2 TIP3 7453 26.745 23.012 -13.708 1.00 0.00 WAT +ATOM 28668 H1 TIP3 7453 25.811 22.816 -13.913 1.00 0.00 WAT +ATOM 28669 H2 TIP3 7453 27.204 22.270 -14.116 1.00 0.00 WAT +ATOM 28670 OH2 TIP3 7454 19.312 27.134 -17.706 1.00 0.00 WAT +ATOM 28671 H1 TIP3 7454 19.728 28.007 -17.787 1.00 0.00 WAT +ATOM 28672 H2 TIP3 7454 18.387 27.336 -17.888 1.00 0.00 WAT +ATOM 28673 OH2 TIP3 7455 15.293 21.948 -23.069 1.00 0.00 WAT +ATOM 28674 H1 TIP3 7455 15.857 22.630 -22.660 1.00 0.00 WAT +ATOM 28675 H2 TIP3 7455 14.417 22.174 -22.697 1.00 0.00 WAT +ATOM 28676 OH2 TIP3 7456 21.140 24.840 -18.064 1.00 0.00 WAT +ATOM 28677 H1 TIP3 7456 20.826 25.745 -17.901 1.00 0.00 WAT +ATOM 28678 H2 TIP3 7456 20.441 24.323 -17.631 1.00 0.00 WAT +ATOM 28679 OH2 TIP3 7457 21.302 29.104 -11.693 1.00 0.00 WAT +ATOM 28680 H1 TIP3 7457 21.873 29.841 -11.971 1.00 0.00 WAT +ATOM 28681 H2 TIP3 7457 21.914 28.592 -11.141 1.00 0.00 WAT +ATOM 28682 OH2 TIP3 7458 19.748 30.052 -18.462 1.00 0.00 WAT +ATOM 28683 H1 TIP3 7458 18.794 30.200 -18.364 1.00 0.00 WAT +ATOM 28684 H2 TIP3 7458 20.106 30.925 -18.214 1.00 0.00 WAT +ATOM 28685 OH2 TIP3 7459 24.729 24.804 -12.171 1.00 0.00 WAT +ATOM 28686 H1 TIP3 7459 24.451 24.567 -11.270 1.00 0.00 WAT +ATOM 28687 H2 TIP3 7459 25.512 24.242 -12.295 1.00 0.00 WAT +ATOM 28688 OH2 TIP3 7460 26.883 26.125 -23.208 1.00 0.00 WAT +ATOM 28689 H1 TIP3 7460 27.311 25.712 -22.438 1.00 0.00 WAT +ATOM 28690 H2 TIP3 7460 25.954 26.003 -22.948 1.00 0.00 WAT +ATOM 28691 OH2 TIP3 7461 27.596 29.446 -9.674 1.00 0.00 WAT +ATOM 28692 H1 TIP3 7461 26.883 28.975 -10.146 1.00 0.00 WAT +ATOM 28693 H2 TIP3 7461 27.783 30.192 -10.272 1.00 0.00 WAT +ATOM 28694 OH2 TIP3 7462 31.618 30.410 -22.673 1.00 0.00 WAT +ATOM 28695 H1 TIP3 7462 32.321 31.050 -22.875 1.00 0.00 WAT +ATOM 28696 H2 TIP3 7462 30.853 31.014 -22.670 1.00 0.00 WAT +ATOM 28697 OH2 TIP3 7463 15.556 16.836 -10.245 1.00 0.00 WAT +ATOM 28698 H1 TIP3 7463 14.624 17.127 -10.297 1.00 0.00 WAT +ATOM 28699 H2 TIP3 7463 15.470 15.980 -9.804 1.00 0.00 WAT +ATOM 28700 OH2 TIP3 7464 27.837 24.624 -20.831 1.00 0.00 WAT +ATOM 28701 H1 TIP3 7464 27.635 24.029 -20.102 1.00 0.00 WAT +ATOM 28702 H2 TIP3 7464 28.791 24.765 -20.721 1.00 0.00 WAT +ATOM 28703 OH2 TIP3 7465 15.268 28.543 -11.653 1.00 0.00 WAT +ATOM 28704 H1 TIP3 7465 15.552 27.631 -11.487 1.00 0.00 WAT +ATOM 28705 H2 TIP3 7465 15.485 28.945 -10.803 1.00 0.00 WAT +ATOM 28706 OH2 TIP3 7466 21.124 27.204 -24.633 1.00 0.00 WAT +ATOM 28707 H1 TIP3 7466 21.409 26.410 -25.120 1.00 0.00 WAT +ATOM 28708 H2 TIP3 7466 20.698 26.809 -23.853 1.00 0.00 WAT +ATOM 28709 OH2 TIP3 7467 19.976 26.720 -21.927 1.00 0.00 WAT +ATOM 28710 H1 TIP3 7467 20.462 26.192 -21.278 1.00 0.00 WAT +ATOM 28711 H2 TIP3 7467 20.112 27.633 -21.594 1.00 0.00 WAT +ATOM 28712 OH2 TIP3 7468 16.803 24.164 -21.530 1.00 0.00 WAT +ATOM 28713 H1 TIP3 7468 16.071 24.533 -20.997 1.00 0.00 WAT +ATOM 28714 H2 TIP3 7468 17.268 24.976 -21.790 1.00 0.00 WAT +ATOM 28715 OH2 TIP3 7469 24.493 16.496 -11.470 1.00 0.00 WAT +ATOM 28716 H1 TIP3 7469 25.093 16.812 -10.773 1.00 0.00 WAT +ATOM 28717 H2 TIP3 7469 23.966 15.812 -11.024 1.00 0.00 WAT +ATOM 28718 OH2 TIP3 7470 25.108 16.035 -20.233 1.00 0.00 WAT +ATOM 28719 H1 TIP3 7470 25.320 16.532 -21.043 1.00 0.00 WAT +ATOM 28720 H2 TIP3 7470 25.562 16.540 -19.536 1.00 0.00 WAT +ATOM 28721 OH2 TIP3 7471 22.915 28.338 -21.294 1.00 0.00 WAT +ATOM 28722 H1 TIP3 7471 22.102 28.833 -21.105 1.00 0.00 WAT +ATOM 28723 H2 TIP3 7471 23.269 28.821 -22.053 1.00 0.00 WAT +ATOM 28724 OH2 TIP3 7472 22.538 18.059 -19.290 1.00 0.00 WAT +ATOM 28725 H1 TIP3 7472 23.275 18.678 -19.114 1.00 0.00 WAT +ATOM 28726 H2 TIP3 7472 22.215 17.876 -18.386 1.00 0.00 WAT +ATOM 28727 OH2 TIP3 7473 22.802 18.871 -10.018 1.00 0.00 WAT +ATOM 28728 H1 TIP3 7473 22.999 19.518 -9.322 1.00 0.00 WAT +ATOM 28729 H2 TIP3 7473 23.521 18.238 -9.925 1.00 0.00 WAT +ATOM 28730 OH2 TIP3 7474 23.080 15.059 -18.360 1.00 0.00 WAT +ATOM 28731 H1 TIP3 7474 22.892 15.724 -17.670 1.00 0.00 WAT +ATOM 28732 H2 TIP3 7474 23.814 15.487 -18.843 1.00 0.00 WAT +ATOM 28733 OH2 TIP3 7475 20.111 29.419 -21.290 1.00 0.00 WAT +ATOM 28734 H1 TIP3 7475 20.049 30.237 -21.826 1.00 0.00 WAT +ATOM 28735 H2 TIP3 7475 19.982 29.758 -20.384 1.00 0.00 WAT +ATOM 28736 OH2 TIP3 7476 18.848 16.089 -21.845 1.00 0.00 WAT +ATOM 28737 H1 TIP3 7476 18.822 16.829 -21.214 1.00 0.00 WAT +ATOM 28738 H2 TIP3 7476 19.654 15.623 -21.548 1.00 0.00 WAT +ATOM 28739 OH2 TIP3 7477 29.163 17.021 -9.243 1.00 0.00 WAT +ATOM 28740 H1 TIP3 7477 28.200 17.112 -9.380 1.00 0.00 WAT +ATOM 28741 H2 TIP3 7477 29.412 16.770 -10.147 1.00 0.00 WAT +ATOM 28742 OH2 TIP3 7478 27.913 20.689 -15.959 1.00 0.00 WAT +ATOM 28743 H1 TIP3 7478 26.988 20.434 -15.796 1.00 0.00 WAT +ATOM 28744 H2 TIP3 7478 28.369 20.196 -15.246 1.00 0.00 WAT +ATOM 28745 OH2 TIP3 7479 17.240 26.976 -22.761 1.00 0.00 WAT +ATOM 28746 H1 TIP3 7479 17.984 27.455 -22.358 1.00 0.00 WAT +ATOM 28747 H2 TIP3 7479 17.728 26.464 -23.425 1.00 0.00 WAT +ATOM 28748 OH2 TIP3 7480 15.392 19.156 -23.653 1.00 0.00 WAT +ATOM 28749 H1 TIP3 7480 15.499 20.094 -23.405 1.00 0.00 WAT +ATOM 28750 H2 TIP3 7480 14.499 19.147 -24.017 1.00 0.00 WAT +ATOM 28751 OH2 TIP3 7481 28.620 29.715 -13.812 1.00 0.00 WAT +ATOM 28752 H1 TIP3 7481 28.577 30.560 -14.299 1.00 0.00 WAT +ATOM 28753 H2 TIP3 7481 29.563 29.670 -13.602 1.00 0.00 WAT +ATOM 28754 OH2 TIP3 7482 16.153 13.687 -14.691 1.00 0.00 WAT +ATOM 28755 H1 TIP3 7482 16.011 13.858 -15.635 1.00 0.00 WAT +ATOM 28756 H2 TIP3 7482 15.710 12.843 -14.544 1.00 0.00 WAT +ATOM 28757 OH2 TIP3 7483 15.205 27.683 -18.564 1.00 0.00 WAT +ATOM 28758 H1 TIP3 7483 14.412 28.187 -18.342 1.00 0.00 WAT +ATOM 28759 H2 TIP3 7483 15.570 28.197 -19.300 1.00 0.00 WAT +ATOM 28760 OH2 TIP3 7484 14.594 30.588 -7.434 1.00 0.00 WAT +ATOM 28761 H1 TIP3 7484 15.185 30.300 -6.711 1.00 0.00 WAT +ATOM 28762 H2 TIP3 7484 14.217 29.731 -7.718 1.00 0.00 WAT +ATOM 28763 OH2 TIP3 7485 19.275 29.617 -5.612 1.00 0.00 WAT +ATOM 28764 H1 TIP3 7485 19.996 28.989 -5.451 1.00 0.00 WAT +ATOM 28765 H2 TIP3 7485 19.048 29.399 -6.532 1.00 0.00 WAT +ATOM 28766 OH2 TIP3 7486 23.344 28.906 -24.133 1.00 0.00 WAT +ATOM 28767 H1 TIP3 7486 22.584 28.291 -24.225 1.00 0.00 WAT +ATOM 28768 H2 TIP3 7486 24.051 28.356 -24.504 1.00 0.00 WAT +ATOM 28769 OH2 TIP3 7487 25.719 27.956 -7.028 1.00 0.00 WAT +ATOM 28770 H1 TIP3 7487 25.390 27.105 -6.691 1.00 0.00 WAT +ATOM 28771 H2 TIP3 7487 26.462 28.149 -6.429 1.00 0.00 WAT +ATOM 28772 OH2 TIP3 7488 27.965 28.801 -24.031 1.00 0.00 WAT +ATOM 28773 H1 TIP3 7488 28.142 28.021 -23.479 1.00 0.00 WAT +ATOM 28774 H2 TIP3 7488 28.766 28.843 -24.583 1.00 0.00 WAT +ATOM 28775 OH2 TIP3 7489 14.562 24.261 -6.328 1.00 0.00 WAT +ATOM 28776 H1 TIP3 7489 14.643 23.322 -6.563 1.00 0.00 WAT +ATOM 28777 H2 TIP3 7489 13.791 24.521 -6.869 1.00 0.00 WAT +ATOM 28778 OH2 TIP3 7490 18.766 24.644 -24.297 1.00 0.00 WAT +ATOM 28779 H1 TIP3 7490 18.916 24.052 -23.542 1.00 0.00 WAT +ATOM 28780 H2 TIP3 7490 19.631 24.594 -24.745 1.00 0.00 WAT +ATOM 28781 OH2 TIP3 7491 21.182 24.414 -6.958 1.00 0.00 WAT +ATOM 28782 H1 TIP3 7491 20.887 24.743 -7.823 1.00 0.00 WAT +ATOM 28783 H2 TIP3 7491 21.250 23.447 -7.116 1.00 0.00 WAT +ATOM 28784 OH2 TIP3 7492 24.007 25.970 -24.678 1.00 0.00 WAT +ATOM 28785 H1 TIP3 7492 23.959 25.927 -23.707 1.00 0.00 WAT +ATOM 28786 H2 TIP3 7492 23.957 25.015 -24.892 1.00 0.00 WAT +ATOM 28787 OH2 TIP3 7493 26.587 24.023 -9.577 1.00 0.00 WAT +ATOM 28788 H1 TIP3 7493 27.351 24.585 -9.820 1.00 0.00 WAT +ATOM 28789 H2 TIP3 7493 25.865 24.671 -9.595 1.00 0.00 WAT +ATOM 28790 OH2 TIP3 7494 15.701 21.375 -7.153 1.00 0.00 WAT +ATOM 28791 H1 TIP3 7494 16.284 20.606 -7.067 1.00 0.00 WAT +ATOM 28792 H2 TIP3 7494 15.479 21.526 -6.222 1.00 0.00 WAT +ATOM 28793 OH2 TIP3 7495 19.861 22.719 -21.949 1.00 0.00 WAT +ATOM 28794 H1 TIP3 7495 19.238 22.224 -21.396 1.00 0.00 WAT +ATOM 28795 H2 TIP3 7495 20.143 22.029 -22.584 1.00 0.00 WAT +ATOM 28796 OH2 TIP3 7496 19.004 20.342 -9.735 1.00 0.00 WAT +ATOM 28797 H1 TIP3 7496 18.607 21.158 -9.399 1.00 0.00 WAT +ATOM 28798 H2 TIP3 7496 19.732 20.671 -10.288 1.00 0.00 WAT +ATOM 28799 OH2 TIP3 7497 20.801 20.734 -23.697 1.00 0.00 WAT +ATOM 28800 H1 TIP3 7497 20.751 20.809 -24.667 1.00 0.00 WAT +ATOM 28801 H2 TIP3 7497 21.764 20.706 -23.550 1.00 0.00 WAT +ATOM 28802 OH2 TIP3 7498 24.416 23.220 -6.108 1.00 0.00 WAT +ATOM 28803 H1 TIP3 7498 25.316 23.061 -6.420 1.00 0.00 WAT +ATOM 28804 H2 TIP3 7498 24.160 22.343 -5.791 1.00 0.00 WAT +ATOM 28805 OH2 TIP3 7499 30.311 23.239 -24.359 1.00 0.00 WAT +ATOM 28806 H1 TIP3 7499 30.213 22.829 -25.231 1.00 0.00 WAT +ATOM 28807 H2 TIP3 7499 30.210 24.187 -24.595 1.00 0.00 WAT +ATOM 28808 OH2 TIP3 7500 21.555 21.678 -10.680 1.00 0.00 WAT +ATOM 28809 H1 TIP3 7500 22.365 21.587 -11.203 1.00 0.00 WAT +ATOM 28810 H2 TIP3 7500 21.222 22.540 -10.997 1.00 0.00 WAT +ATOM 28811 OH2 TIP3 7501 26.172 19.668 -5.915 1.00 0.00 WAT +ATOM 28812 H1 TIP3 7501 26.349 18.718 -5.840 1.00 0.00 WAT +ATOM 28813 H2 TIP3 7501 27.066 20.003 -6.101 1.00 0.00 WAT +ATOM 28814 OH2 TIP3 7502 27.465 22.465 -7.530 1.00 0.00 WAT +ATOM 28815 H1 TIP3 7502 27.067 23.083 -8.182 1.00 0.00 WAT +ATOM 28816 H2 TIP3 7502 28.324 22.297 -7.940 1.00 0.00 WAT +ATOM 28817 OH2 TIP3 7503 18.117 19.248 -6.812 1.00 0.00 WAT +ATOM 28818 H1 TIP3 7503 17.401 18.593 -6.783 1.00 0.00 WAT +ATOM 28819 H2 TIP3 7503 18.676 18.949 -7.536 1.00 0.00 WAT +ATOM 28820 OH2 TIP3 7504 21.783 18.407 -6.823 1.00 0.00 WAT +ATOM 28821 H1 TIP3 7504 21.672 17.881 -6.015 1.00 0.00 WAT +ATOM 28822 H2 TIP3 7504 21.166 18.009 -7.450 1.00 0.00 WAT +ATOM 28823 OH2 TIP3 7505 24.451 17.202 -7.889 1.00 0.00 WAT +ATOM 28824 H1 TIP3 7505 23.569 17.151 -7.500 1.00 0.00 WAT +ATOM 28825 H2 TIP3 7505 24.941 16.516 -7.393 1.00 0.00 WAT +ATOM 28826 OH2 TIP3 7506 26.231 15.433 -6.458 1.00 0.00 WAT +ATOM 28827 H1 TIP3 7506 26.267 14.488 -6.210 1.00 0.00 WAT +ATOM 28828 H2 TIP3 7506 26.158 15.876 -5.597 1.00 0.00 WAT +ATOM 28829 OH2 TIP3 7507 20.572 31.968 -22.602 1.00 0.00 WAT +ATOM 28830 H1 TIP3 7507 21.526 32.082 -22.486 1.00 0.00 WAT +ATOM 28831 H2 TIP3 7507 20.437 32.420 -23.444 1.00 0.00 WAT +ATOM 28832 OH2 TIP3 7508 14.478 26.382 -23.085 1.00 0.00 WAT +ATOM 28833 H1 TIP3 7508 15.433 26.545 -22.932 1.00 0.00 WAT +ATOM 28834 H2 TIP3 7508 14.493 25.574 -23.635 1.00 0.00 WAT +ATOM 28835 OH2 TIP3 7509 13.436 31.577 -18.271 1.00 0.00 WAT +ATOM 28836 H1 TIP3 7509 12.756 31.179 -18.848 1.00 0.00 WAT +ATOM 28837 H2 TIP3 7509 13.577 30.862 -17.616 1.00 0.00 WAT +ATOM 28838 OH2 TIP3 7510 13.855 29.587 -16.340 1.00 0.00 WAT +ATOM 28839 H1 TIP3 7510 13.575 28.708 -16.031 1.00 0.00 WAT +ATOM 28840 H2 TIP3 7510 14.234 29.920 -15.511 1.00 0.00 WAT +ATOM 28841 OH2 TIP3 7511 31.433 31.081 -13.332 1.00 0.00 WAT +ATOM 28842 H1 TIP3 7511 31.564 30.686 -12.460 1.00 0.00 WAT +ATOM 28843 H2 TIP3 7511 32.334 31.063 -13.682 1.00 0.00 WAT +ATOM 28844 OH2 TIP3 7512 31.289 30.270 -10.400 1.00 0.00 WAT +ATOM 28845 H1 TIP3 7512 30.807 29.520 -10.803 1.00 0.00 WAT +ATOM 28846 H2 TIP3 7512 31.901 29.781 -9.831 1.00 0.00 WAT +ATOM 28847 OH2 TIP3 7513 29.272 25.697 -6.152 1.00 0.00 WAT +ATOM 28848 H1 TIP3 7513 28.403 25.804 -5.731 1.00 0.00 WAT +ATOM 28849 H2 TIP3 7513 29.748 26.499 -5.884 1.00 0.00 WAT +ATOM 28850 OH2 TIP3 7514 30.748 24.519 -20.408 1.00 0.00 WAT +ATOM 28851 H1 TIP3 7514 31.618 24.921 -20.204 1.00 0.00 WAT +ATOM 28852 H2 TIP3 7514 30.584 24.003 -19.611 1.00 0.00 WAT +ATOM 28853 OH2 TIP3 7515 30.764 21.913 -18.107 1.00 0.00 WAT +ATOM 28854 H1 TIP3 7515 30.319 21.992 -17.250 1.00 0.00 WAT +ATOM 28855 H2 TIP3 7515 31.594 22.394 -17.881 1.00 0.00 WAT +ATOM 28856 OH2 TIP3 7516 29.624 28.076 -11.196 1.00 0.00 WAT +ATOM 28857 H1 TIP3 7516 28.822 28.317 -10.708 1.00 0.00 WAT +ATOM 28858 H2 TIP3 7516 29.272 27.621 -11.981 1.00 0.00 WAT +ATOM 28859 OH2 TIP3 7517 31.326 21.998 -21.806 1.00 0.00 WAT +ATOM 28860 H1 TIP3 7517 30.898 22.257 -22.645 1.00 0.00 WAT +ATOM 28861 H2 TIP3 7517 31.298 22.846 -21.330 1.00 0.00 WAT +ATOM 28862 OH2 TIP3 7518 29.677 19.591 -23.605 1.00 0.00 WAT +ATOM 28863 H1 TIP3 7518 29.944 20.183 -24.322 1.00 0.00 WAT +ATOM 28864 H2 TIP3 7518 29.465 18.765 -24.087 1.00 0.00 WAT +ATOM 28865 OH2 TIP3 7519 13.950 22.944 -13.939 1.00 0.00 WAT +ATOM 28866 H1 TIP3 7519 14.201 22.976 -14.877 1.00 0.00 WAT +ATOM 28867 H2 TIP3 7519 14.813 22.711 -13.534 1.00 0.00 WAT +ATOM 28868 OH2 TIP3 7520 29.121 16.957 -24.364 1.00 0.00 WAT +ATOM 28869 H1 TIP3 7520 29.751 16.419 -23.850 1.00 0.00 WAT +ATOM 28870 H2 TIP3 7520 28.370 16.361 -24.510 1.00 0.00 WAT +ATOM 28871 OH2 TIP3 7521 29.244 18.847 -14.135 1.00 0.00 WAT +ATOM 28872 H1 TIP3 7521 30.207 19.004 -14.070 1.00 0.00 WAT +ATOM 28873 H2 TIP3 7521 29.017 18.940 -13.191 1.00 0.00 WAT +ATOM 28874 OH2 TIP3 7522 29.396 19.691 -11.368 1.00 0.00 WAT +ATOM 28875 H1 TIP3 7522 28.570 20.040 -10.991 1.00 0.00 WAT +ATOM 28876 H2 TIP3 7522 29.992 20.450 -11.227 1.00 0.00 WAT +ATOM 28877 OH2 TIP3 7523 32.009 13.667 -5.887 1.00 0.00 WAT +ATOM 28878 H1 TIP3 7523 32.123 12.953 -6.525 1.00 0.00 WAT +ATOM 28879 H2 TIP3 7523 31.903 14.439 -6.482 1.00 0.00 WAT +ATOM 28880 OH2 TIP3 7524 29.383 15.935 -19.497 1.00 0.00 WAT +ATOM 28881 H1 TIP3 7524 29.532 15.611 -18.592 1.00 0.00 WAT +ATOM 28882 H2 TIP3 7524 28.655 15.359 -19.787 1.00 0.00 WAT +ATOM 28883 OH2 TIP3 7525 14.697 16.481 -14.776 1.00 0.00 WAT +ATOM 28884 H1 TIP3 7525 15.099 15.635 -14.520 1.00 0.00 WAT +ATOM 28885 H2 TIP3 7525 15.345 17.109 -14.402 1.00 0.00 WAT +ATOM 28886 OH2 TIP3 7526 13.197 19.250 -13.695 1.00 0.00 WAT +ATOM 28887 H1 TIP3 7526 13.781 19.282 -14.470 1.00 0.00 WAT +ATOM 28888 H2 TIP3 7526 13.534 19.997 -13.182 1.00 0.00 WAT +ATOM 28889 OH2 TIP3 7527 31.285 15.652 -7.620 1.00 0.00 WAT +ATOM 28890 H1 TIP3 7527 30.433 16.122 -7.605 1.00 0.00 WAT +ATOM 28891 H2 TIP3 7527 31.196 15.166 -8.462 1.00 0.00 WAT +ATOM 28892 OH2 TIP3 7528 31.419 15.941 -22.871 1.00 0.00 WAT +ATOM 28893 H1 TIP3 7528 31.698 15.095 -23.262 1.00 0.00 WAT +ATOM 28894 H2 TIP3 7528 32.271 16.395 -22.763 1.00 0.00 WAT +ATOM 28895 OH2 TIP3 7529 13.690 15.442 -19.726 1.00 0.00 WAT +ATOM 28896 H1 TIP3 7529 12.732 15.609 -19.770 1.00 0.00 WAT +ATOM 28897 H2 TIP3 7529 14.066 16.162 -20.269 1.00 0.00 WAT +ATOM 28898 OH2 TIP3 7530 28.281 30.947 -17.550 1.00 0.00 WAT +ATOM 28899 H1 TIP3 7530 28.776 30.639 -18.327 1.00 0.00 WAT +ATOM 28900 H2 TIP3 7530 28.993 31.230 -16.963 1.00 0.00 WAT +ATOM 28901 OH2 TIP3 7531 13.685 14.283 -11.800 1.00 0.00 WAT +ATOM 28902 H1 TIP3 7531 13.090 14.303 -11.023 1.00 0.00 WAT +ATOM 28903 H2 TIP3 7531 13.236 14.934 -12.364 1.00 0.00 WAT +ATOM 28904 OH2 TIP3 7532 15.702 27.685 -6.801 1.00 0.00 WAT +ATOM 28905 H1 TIP3 7532 15.002 27.560 -7.458 1.00 0.00 WAT +ATOM 28906 H2 TIP3 7532 15.232 27.528 -5.970 1.00 0.00 WAT +ATOM 28907 OH2 TIP3 7533 18.539 28.585 -11.144 1.00 0.00 WAT +ATOM 28908 H1 TIP3 7533 18.239 29.441 -11.494 1.00 0.00 WAT +ATOM 28909 H2 TIP3 7533 19.499 28.669 -11.314 1.00 0.00 WAT +ATOM 28910 OH2 TIP3 7534 23.039 29.907 -8.121 1.00 0.00 WAT +ATOM 28911 H1 TIP3 7534 23.214 29.724 -7.185 1.00 0.00 WAT +ATOM 28912 H2 TIP3 7534 23.874 30.340 -8.393 1.00 0.00 WAT +ATOM 28913 OH2 TIP3 7535 25.326 31.346 -8.889 1.00 0.00 WAT +ATOM 28914 H1 TIP3 7535 26.032 30.726 -9.139 1.00 0.00 WAT +ATOM 28915 H2 TIP3 7535 25.644 31.651 -8.018 1.00 0.00 WAT +ATOM 28916 OH2 TIP3 7536 30.289 13.979 -9.726 1.00 0.00 WAT +ATOM 28917 H1 TIP3 7536 29.422 14.229 -10.090 1.00 0.00 WAT +ATOM 28918 H2 TIP3 7536 30.337 13.061 -10.054 1.00 0.00 WAT +ATOM 28919 OH2 TIP3 7537 15.916 31.549 -10.813 1.00 0.00 WAT +ATOM 28920 H1 TIP3 7537 15.314 32.182 -11.244 1.00 0.00 WAT +ATOM 28921 H2 TIP3 7537 15.581 31.573 -9.908 1.00 0.00 WAT +ATOM 28922 OH2 TIP3 7538 18.405 31.313 -12.260 1.00 0.00 WAT +ATOM 28923 H1 TIP3 7538 17.554 31.498 -11.815 1.00 0.00 WAT +ATOM 28924 H2 TIP3 7538 18.443 32.016 -12.934 1.00 0.00 WAT +ATOM 28925 OH2 TIP3 7539 23.145 31.313 -12.697 1.00 0.00 WAT +ATOM 28926 H1 TIP3 7539 22.776 31.772 -13.471 1.00 0.00 WAT +ATOM 28927 H2 TIP3 7539 23.247 32.048 -12.063 1.00 0.00 WAT +ATOM 28928 OH2 TIP3 7540 25.484 30.021 -11.775 1.00 0.00 WAT +ATOM 28929 H1 TIP3 7540 24.648 30.396 -12.111 1.00 0.00 WAT +ATOM 28930 H2 TIP3 7540 26.070 30.792 -11.796 1.00 0.00 WAT +ATOM 28931 OH2 TIP3 7541 27.992 31.756 -11.578 1.00 0.00 WAT +ATOM 28932 H1 TIP3 7541 27.982 32.700 -11.828 1.00 0.00 WAT +ATOM 28933 H2 TIP3 7541 28.316 31.352 -12.402 1.00 0.00 WAT +ATOM 28934 OH2 TIP3 7542 15.491 30.338 -13.870 1.00 0.00 WAT +ATOM 28935 H1 TIP3 7542 15.470 29.852 -13.015 1.00 0.00 WAT +ATOM 28936 H2 TIP3 7542 16.254 29.900 -14.297 1.00 0.00 WAT +ATOM 28937 OH2 TIP3 7543 17.516 29.092 -15.434 1.00 0.00 WAT +ATOM 28938 H1 TIP3 7543 17.356 28.164 -15.159 1.00 0.00 WAT +ATOM 28939 H2 TIP3 7543 18.427 29.238 -15.108 1.00 0.00 WAT +ATOM 28940 OH2 TIP3 7544 20.266 29.548 -14.539 1.00 0.00 WAT +ATOM 28941 H1 TIP3 7544 20.460 28.617 -14.749 1.00 0.00 WAT +ATOM 28942 H2 TIP3 7544 20.347 29.527 -13.572 1.00 0.00 WAT +ATOM 28943 OH2 TIP3 7545 23.621 15.450 -15.248 1.00 0.00 WAT +ATOM 28944 H1 TIP3 7545 22.901 14.809 -15.081 1.00 0.00 WAT +ATOM 28945 H2 TIP3 7545 24.214 14.940 -15.822 1.00 0.00 WAT +ATOM 28946 OH2 TIP3 7546 28.572 13.461 -14.804 1.00 0.00 WAT +ATOM 28947 H1 TIP3 7546 29.311 13.929 -15.227 1.00 0.00 WAT +ATOM 28948 H2 TIP3 7546 27.804 13.758 -15.316 1.00 0.00 WAT +ATOM 28949 OH2 TIP3 7547 30.601 14.587 -16.996 1.00 0.00 WAT +ATOM 28950 H1 TIP3 7547 31.320 14.149 -17.486 1.00 0.00 WAT +ATOM 28951 H2 TIP3 7547 30.972 15.477 -16.843 1.00 0.00 WAT +ATOM 28952 OH2 TIP3 7548 16.053 14.063 -17.606 1.00 0.00 WAT +ATOM 28953 H1 TIP3 7548 15.163 13.956 -17.992 1.00 0.00 WAT +ATOM 28954 H2 TIP3 7548 16.439 13.189 -17.744 1.00 0.00 WAT +ATOM 28955 OH2 TIP3 7549 14.803 13.612 -21.796 1.00 0.00 WAT +ATOM 28956 H1 TIP3 7549 15.301 14.292 -22.288 1.00 0.00 WAT +ATOM 28957 H2 TIP3 7549 14.377 14.145 -21.099 1.00 0.00 WAT +ATOM 28958 OH2 TIP3 7550 20.404 13.875 -17.836 1.00 0.00 WAT +ATOM 28959 H1 TIP3 7550 21.303 14.229 -17.932 1.00 0.00 WAT +ATOM 28960 H2 TIP3 7550 20.316 13.858 -16.874 1.00 0.00 WAT +ATOM 28961 OH2 TIP3 7551 25.999 14.025 -16.401 1.00 0.00 WAT +ATOM 28962 H1 TIP3 7551 26.305 13.824 -17.295 1.00 0.00 WAT +ATOM 28963 H2 TIP3 7551 25.626 13.167 -16.123 1.00 0.00 WAT +ATOM 28964 OH2 TIP3 7552 27.181 14.065 -20.432 1.00 0.00 WAT +ATOM 28965 H1 TIP3 7552 26.330 14.529 -20.533 1.00 0.00 WAT +ATOM 28966 H2 TIP3 7552 26.876 13.163 -20.228 1.00 0.00 WAT +ATOM 28967 OH2 TIP3 7553 14.938 29.608 -20.623 1.00 0.00 WAT +ATOM 28968 H1 TIP3 7553 14.314 29.474 -21.352 1.00 0.00 WAT +ATOM 28969 H2 TIP3 7553 14.942 30.573 -20.569 1.00 0.00 WAT +ATOM 28970 OH2 TIP3 7554 16.471 15.446 -23.361 1.00 0.00 WAT +ATOM 28971 H1 TIP3 7554 17.102 14.916 -23.876 1.00 0.00 WAT +ATOM 28972 H2 TIP3 7554 17.051 15.800 -22.660 1.00 0.00 WAT +ATOM 28973 OH2 TIP3 7555 21.583 15.636 -20.759 1.00 0.00 WAT +ATOM 28974 H1 TIP3 7555 21.927 15.076 -20.045 1.00 0.00 WAT +ATOM 28975 H2 TIP3 7555 21.746 16.513 -20.375 1.00 0.00 WAT +ATOM 28976 OH2 TIP3 7556 23.620 31.444 -22.521 1.00 0.00 WAT +ATOM 28977 H1 TIP3 7556 24.595 31.443 -22.559 1.00 0.00 WAT +ATOM 28978 H2 TIP3 7556 23.420 30.779 -23.199 1.00 0.00 WAT +ATOM 28979 OH2 TIP3 7557 30.121 30.470 -19.942 1.00 0.00 WAT +ATOM 28980 H1 TIP3 7557 29.885 29.631 -20.381 1.00 0.00 WAT +ATOM 28981 H2 TIP3 7557 30.091 31.089 -20.688 1.00 0.00 WAT +ATOM 28982 OH2 TIP3 7558 16.377 30.556 -23.835 1.00 0.00 WAT +ATOM 28983 H1 TIP3 7558 16.158 30.826 -22.932 1.00 0.00 WAT +ATOM 28984 H2 TIP3 7558 17.149 29.981 -23.702 1.00 0.00 WAT +ATOM 28985 OH2 TIP3 7559 29.613 29.216 -7.511 1.00 0.00 WAT +ATOM 28986 H1 TIP3 7559 28.917 29.028 -8.166 1.00 0.00 WAT +ATOM 28987 H2 TIP3 7559 29.472 30.170 -7.368 1.00 0.00 WAT +ATOM 28988 OH2 TIP3 7560 41.874 22.175 -14.560 1.00 0.00 WAT +ATOM 28989 H1 TIP3 7560 42.502 22.260 -13.816 1.00 0.00 WAT +ATOM 28990 H2 TIP3 7560 42.336 21.485 -15.058 1.00 0.00 WAT +ATOM 28991 OH2 TIP3 7561 35.273 21.919 -12.768 1.00 0.00 WAT +ATOM 28992 H1 TIP3 7561 35.166 21.141 -12.186 1.00 0.00 WAT +ATOM 28993 H2 TIP3 7561 35.725 22.534 -12.178 1.00 0.00 WAT +ATOM 28994 OH2 TIP3 7562 36.132 26.650 -14.241 1.00 0.00 WAT +ATOM 28995 H1 TIP3 7562 35.485 25.931 -14.368 1.00 0.00 WAT +ATOM 28996 H2 TIP3 7562 36.922 26.167 -13.969 1.00 0.00 WAT +ATOM 28997 OH2 TIP3 7563 32.797 19.840 -18.825 1.00 0.00 WAT +ATOM 28998 H1 TIP3 7563 32.512 20.745 -18.610 1.00 0.00 WAT +ATOM 28999 H2 TIP3 7563 32.142 19.533 -19.464 1.00 0.00 WAT +ATOM 29000 OH2 TIP3 7564 33.402 22.323 -17.155 1.00 0.00 WAT +ATOM 29001 H1 TIP3 7564 33.513 21.791 -16.344 1.00 0.00 WAT +ATOM 29002 H2 TIP3 7564 34.306 22.630 -17.290 1.00 0.00 WAT +ATOM 29003 OH2 TIP3 7565 37.272 17.040 -16.217 1.00 0.00 WAT +ATOM 29004 H1 TIP3 7565 37.542 17.926 -16.500 1.00 0.00 WAT +ATOM 29005 H2 TIP3 7565 36.892 16.677 -17.036 1.00 0.00 WAT +ATOM 29006 OH2 TIP3 7566 34.133 19.833 -15.628 1.00 0.00 WAT +ATOM 29007 H1 TIP3 7566 34.815 19.464 -15.046 1.00 0.00 WAT +ATOM 29008 H2 TIP3 7566 34.301 19.365 -16.462 1.00 0.00 WAT +ATOM 29009 OH2 TIP3 7567 36.175 15.932 -11.942 1.00 0.00 WAT +ATOM 29010 H1 TIP3 7567 35.966 16.533 -12.672 1.00 0.00 WAT +ATOM 29011 H2 TIP3 7567 35.557 16.235 -11.256 1.00 0.00 WAT +ATOM 29012 OH2 TIP3 7568 39.287 23.949 -12.037 1.00 0.00 WAT +ATOM 29013 H1 TIP3 7568 38.445 24.354 -11.751 1.00 0.00 WAT +ATOM 29014 H2 TIP3 7568 39.865 24.717 -11.994 1.00 0.00 WAT +ATOM 29015 OH2 TIP3 7569 36.108 18.185 -13.944 1.00 0.00 WAT +ATOM 29016 H1 TIP3 7569 36.780 18.779 -13.556 1.00 0.00 WAT +ATOM 29017 H2 TIP3 7569 36.651 17.785 -14.655 1.00 0.00 WAT +ATOM 29018 OH2 TIP3 7570 37.167 25.691 -11.155 1.00 0.00 WAT +ATOM 29019 H1 TIP3 7570 37.120 26.605 -11.493 1.00 0.00 WAT +ATOM 29020 H2 TIP3 7570 36.281 25.639 -10.740 1.00 0.00 WAT +ATOM 29021 OH2 TIP3 7571 33.437 25.430 -20.295 1.00 0.00 WAT +ATOM 29022 H1 TIP3 7571 33.276 25.963 -21.091 1.00 0.00 WAT +ATOM 29023 H2 TIP3 7571 33.643 26.118 -19.617 1.00 0.00 WAT +ATOM 29024 OH2 TIP3 7572 40.416 13.465 -14.930 1.00 0.00 WAT +ATOM 29025 H1 TIP3 7572 40.151 12.529 -14.911 1.00 0.00 WAT +ATOM 29026 H2 TIP3 7572 39.629 13.892 -14.531 1.00 0.00 WAT +ATOM 29027 OH2 TIP3 7573 42.613 22.261 -20.266 1.00 0.00 WAT +ATOM 29028 H1 TIP3 7573 41.984 22.977 -20.462 1.00 0.00 WAT +ATOM 29029 H2 TIP3 7573 43.361 22.507 -20.814 1.00 0.00 WAT +ATOM 29030 OH2 TIP3 7574 42.877 20.753 -23.071 1.00 0.00 WAT +ATOM 29031 H1 TIP3 7574 43.687 20.745 -22.537 1.00 0.00 WAT +ATOM 29032 H2 TIP3 7574 42.962 19.970 -23.622 1.00 0.00 WAT +ATOM 29033 OH2 TIP3 7575 38.007 22.861 -17.290 1.00 0.00 WAT +ATOM 29034 H1 TIP3 7575 37.383 22.744 -18.031 1.00 0.00 WAT +ATOM 29035 H2 TIP3 7575 38.106 21.928 -17.030 1.00 0.00 WAT +ATOM 29036 OH2 TIP3 7576 39.113 26.136 -14.499 1.00 0.00 WAT +ATOM 29037 H1 TIP3 7576 39.042 26.254 -15.456 1.00 0.00 WAT +ATOM 29038 H2 TIP3 7576 40.034 26.320 -14.295 1.00 0.00 WAT +ATOM 29039 OH2 TIP3 7577 38.463 22.204 -14.296 1.00 0.00 WAT +ATOM 29040 H1 TIP3 7577 38.654 21.246 -14.283 1.00 0.00 WAT +ATOM 29041 H2 TIP3 7577 38.305 22.378 -13.352 1.00 0.00 WAT +ATOM 29042 OH2 TIP3 7578 39.030 26.349 -9.003 1.00 0.00 WAT +ATOM 29043 H1 TIP3 7578 38.521 27.006 -8.495 1.00 0.00 WAT +ATOM 29044 H2 TIP3 7578 38.366 26.080 -9.668 1.00 0.00 WAT +ATOM 29045 OH2 TIP3 7579 35.759 22.605 -9.854 1.00 0.00 WAT +ATOM 29046 H1 TIP3 7579 35.840 23.149 -9.048 1.00 0.00 WAT +ATOM 29047 H2 TIP3 7579 34.796 22.596 -9.963 1.00 0.00 WAT +ATOM 29048 OH2 TIP3 7580 42.450 28.415 -18.073 1.00 0.00 WAT +ATOM 29049 H1 TIP3 7580 42.991 28.908 -17.432 1.00 0.00 WAT +ATOM 29050 H2 TIP3 7580 41.993 29.129 -18.537 1.00 0.00 WAT +ATOM 29051 OH2 TIP3 7581 37.115 28.495 -8.161 1.00 0.00 WAT +ATOM 29052 H1 TIP3 7581 37.000 28.528 -9.128 1.00 0.00 WAT +ATOM 29053 H2 TIP3 7581 36.228 28.233 -7.846 1.00 0.00 WAT +ATOM 29054 OH2 TIP3 7582 36.525 21.979 -19.709 1.00 0.00 WAT +ATOM 29055 H1 TIP3 7582 36.287 22.702 -20.314 1.00 0.00 WAT +ATOM 29056 H2 TIP3 7582 35.905 21.284 -19.965 1.00 0.00 WAT +ATOM 29057 OH2 TIP3 7583 32.689 24.333 -11.008 1.00 0.00 WAT +ATOM 29058 H1 TIP3 7583 32.311 24.462 -11.893 1.00 0.00 WAT +ATOM 29059 H2 TIP3 7583 32.307 23.462 -10.755 1.00 0.00 WAT +ATOM 29060 OH2 TIP3 7584 41.708 27.368 -9.500 1.00 0.00 WAT +ATOM 29061 H1 TIP3 7584 41.808 28.238 -9.086 1.00 0.00 WAT +ATOM 29062 H2 TIP3 7584 40.802 27.102 -9.254 1.00 0.00 WAT +ATOM 29063 OH2 TIP3 7585 41.838 31.187 -19.589 1.00 0.00 WAT +ATOM 29064 H1 TIP3 7585 42.055 31.231 -20.532 1.00 0.00 WAT +ATOM 29065 H2 TIP3 7585 42.077 32.060 -19.255 1.00 0.00 WAT +ATOM 29066 OH2 TIP3 7586 35.729 30.330 -17.931 1.00 0.00 WAT +ATOM 29067 H1 TIP3 7586 35.896 29.868 -17.078 1.00 0.00 WAT +ATOM 29068 H2 TIP3 7586 34.893 29.922 -18.193 1.00 0.00 WAT +ATOM 29069 OH2 TIP3 7587 34.747 26.132 -9.811 1.00 0.00 WAT +ATOM 29070 H1 TIP3 7587 35.015 25.642 -9.010 1.00 0.00 WAT +ATOM 29071 H2 TIP3 7587 33.984 25.617 -10.139 1.00 0.00 WAT +ATOM 29072 OH2 TIP3 7588 37.952 14.541 -14.014 1.00 0.00 WAT +ATOM 29073 H1 TIP3 7588 37.111 14.567 -14.505 1.00 0.00 WAT +ATOM 29074 H2 TIP3 7588 37.920 15.405 -13.573 1.00 0.00 WAT +ATOM 29075 OH2 TIP3 7589 42.330 14.009 -9.737 1.00 0.00 WAT +ATOM 29076 H1 TIP3 7589 42.443 13.252 -9.141 1.00 0.00 WAT +ATOM 29077 H2 TIP3 7589 41.423 13.848 -10.067 1.00 0.00 WAT +ATOM 29078 OH2 TIP3 7590 42.339 16.784 -23.005 1.00 0.00 WAT +ATOM 29079 H1 TIP3 7590 41.685 16.593 -22.316 1.00 0.00 WAT +ATOM 29080 H2 TIP3 7590 42.056 16.151 -23.684 1.00 0.00 WAT +ATOM 29081 OH2 TIP3 7591 37.883 19.798 -17.643 1.00 0.00 WAT +ATOM 29082 H1 TIP3 7591 36.937 19.615 -17.736 1.00 0.00 WAT +ATOM 29083 H2 TIP3 7591 38.231 19.451 -18.480 1.00 0.00 WAT +ATOM 29084 OH2 TIP3 7592 42.965 19.686 -18.835 1.00 0.00 WAT +ATOM 29085 H1 TIP3 7592 42.727 20.621 -18.974 1.00 0.00 WAT +ATOM 29086 H2 TIP3 7592 43.233 19.403 -19.712 1.00 0.00 WAT +ATOM 29087 OH2 TIP3 7593 42.518 20.325 -7.459 1.00 0.00 WAT +ATOM 29088 H1 TIP3 7593 41.935 19.536 -7.423 1.00 0.00 WAT +ATOM 29089 H2 TIP3 7593 43.373 19.853 -7.438 1.00 0.00 WAT +ATOM 29090 OH2 TIP3 7594 35.252 19.542 -10.932 1.00 0.00 WAT +ATOM 29091 H1 TIP3 7594 35.353 20.000 -10.093 1.00 0.00 WAT +ATOM 29092 H2 TIP3 7594 34.843 18.705 -10.666 1.00 0.00 WAT +ATOM 29093 OH2 TIP3 7595 38.656 17.232 -24.248 1.00 0.00 WAT +ATOM 29094 H1 TIP3 7595 38.272 16.882 -23.417 1.00 0.00 WAT +ATOM 29095 H2 TIP3 7595 37.872 17.344 -24.800 1.00 0.00 WAT +ATOM 29096 OH2 TIP3 7596 32.012 17.063 -17.142 1.00 0.00 WAT +ATOM 29097 H1 TIP3 7596 32.631 17.111 -16.391 1.00 0.00 WAT +ATOM 29098 H2 TIP3 7596 32.532 16.630 -17.833 1.00 0.00 WAT +ATOM 29099 OH2 TIP3 7597 33.567 17.455 -21.434 1.00 0.00 WAT +ATOM 29100 H1 TIP3 7597 34.129 17.944 -22.072 1.00 0.00 WAT +ATOM 29101 H2 TIP3 7597 32.900 18.118 -21.226 1.00 0.00 WAT +ATOM 29102 OH2 TIP3 7598 43.595 20.729 -11.355 1.00 0.00 WAT +ATOM 29103 H1 TIP3 7598 43.649 20.160 -12.156 1.00 0.00 WAT +ATOM 29104 H2 TIP3 7598 42.716 20.513 -11.040 1.00 0.00 WAT +ATOM 29105 OH2 TIP3 7599 40.438 16.912 -16.683 1.00 0.00 WAT +ATOM 29106 H1 TIP3 7599 39.507 16.992 -16.417 1.00 0.00 WAT +ATOM 29107 H2 TIP3 7599 40.848 17.228 -15.859 1.00 0.00 WAT +ATOM 29108 OH2 TIP3 7600 35.174 18.370 -18.075 1.00 0.00 WAT +ATOM 29109 H1 TIP3 7600 34.320 18.619 -18.474 1.00 0.00 WAT +ATOM 29110 H2 TIP3 7600 35.440 17.579 -18.582 1.00 0.00 WAT +ATOM 29111 OH2 TIP3 7601 38.635 18.643 -20.328 1.00 0.00 WAT +ATOM 29112 H1 TIP3 7601 39.603 18.691 -20.268 1.00 0.00 WAT +ATOM 29113 H2 TIP3 7601 38.404 19.260 -21.043 1.00 0.00 WAT +ATOM 29114 OH2 TIP3 7602 37.215 19.916 -22.591 1.00 0.00 WAT +ATOM 29115 H1 TIP3 7602 36.614 19.615 -23.290 1.00 0.00 WAT +ATOM 29116 H2 TIP3 7602 38.036 20.042 -23.094 1.00 0.00 WAT +ATOM 29117 OH2 TIP3 7603 35.823 24.621 -7.628 1.00 0.00 WAT +ATOM 29118 H1 TIP3 7603 36.490 24.715 -6.918 1.00 0.00 WAT +ATOM 29119 H2 TIP3 7603 35.017 24.549 -7.088 1.00 0.00 WAT +ATOM 29120 OH2 TIP3 7604 36.741 16.018 -18.844 1.00 0.00 WAT +ATOM 29121 H1 TIP3 7604 36.222 15.232 -18.601 1.00 0.00 WAT +ATOM 29122 H2 TIP3 7604 37.612 15.642 -19.029 1.00 0.00 WAT +ATOM 29123 OH2 TIP3 7605 40.706 24.334 -20.730 1.00 0.00 WAT +ATOM 29124 H1 TIP3 7605 39.947 23.854 -21.131 1.00 0.00 WAT +ATOM 29125 H2 TIP3 7605 40.484 24.353 -19.787 1.00 0.00 WAT +ATOM 29126 OH2 TIP3 7606 42.093 24.383 -9.478 1.00 0.00 WAT +ATOM 29127 H1 TIP3 7606 41.834 24.221 -8.566 1.00 0.00 WAT +ATOM 29128 H2 TIP3 7606 42.144 25.351 -9.533 1.00 0.00 WAT +ATOM 29129 OH2 TIP3 7607 35.693 23.742 -15.037 1.00 0.00 WAT +ATOM 29130 H1 TIP3 7607 36.481 23.613 -15.572 1.00 0.00 WAT +ATOM 29131 H2 TIP3 7607 35.687 22.963 -14.455 1.00 0.00 WAT +ATOM 29132 OH2 TIP3 7608 42.873 25.749 -21.747 1.00 0.00 WAT +ATOM 29133 H1 TIP3 7608 42.601 26.646 -21.463 1.00 0.00 WAT +ATOM 29134 H2 TIP3 7608 42.106 25.226 -21.439 1.00 0.00 WAT +ATOM 29135 OH2 TIP3 7609 39.992 21.623 -7.639 1.00 0.00 WAT +ATOM 29136 H1 TIP3 7609 39.588 21.303 -8.469 1.00 0.00 WAT +ATOM 29137 H2 TIP3 7609 40.926 21.369 -7.771 1.00 0.00 WAT +ATOM 29138 OH2 TIP3 7610 38.197 27.126 -17.706 1.00 0.00 WAT +ATOM 29139 H1 TIP3 7610 38.559 28.023 -17.796 1.00 0.00 WAT +ATOM 29140 H2 TIP3 7610 37.247 27.299 -17.777 1.00 0.00 WAT +ATOM 29141 OH2 TIP3 7611 34.147 21.942 -23.040 1.00 0.00 WAT +ATOM 29142 H1 TIP3 7611 34.752 22.603 -22.656 1.00 0.00 WAT +ATOM 29143 H2 TIP3 7611 33.286 22.297 -22.767 1.00 0.00 WAT +ATOM 29144 OH2 TIP3 7612 39.956 24.797 -17.540 1.00 0.00 WAT +ATOM 29145 H1 TIP3 7612 39.725 25.701 -17.828 1.00 0.00 WAT +ATOM 29146 H2 TIP3 7612 39.114 24.324 -17.693 1.00 0.00 WAT +ATOM 29147 OH2 TIP3 7613 40.217 29.106 -11.698 1.00 0.00 WAT +ATOM 29148 H1 TIP3 7613 40.785 29.847 -11.999 1.00 0.00 WAT +ATOM 29149 H2 TIP3 7613 40.833 28.633 -11.119 1.00 0.00 WAT +ATOM 29150 OH2 TIP3 7614 38.592 30.040 -18.463 1.00 0.00 WAT +ATOM 29151 H1 TIP3 7614 37.639 30.193 -18.345 1.00 0.00 WAT +ATOM 29152 H2 TIP3 7614 38.963 30.907 -18.211 1.00 0.00 WAT +ATOM 29153 OH2 TIP3 7615 34.262 16.859 -9.881 1.00 0.00 WAT +ATOM 29154 H1 TIP3 7615 33.386 17.074 -10.262 1.00 0.00 WAT +ATOM 29155 H2 TIP3 7615 34.144 15.927 -9.629 1.00 0.00 WAT +ATOM 29156 OH2 TIP3 7616 34.188 28.693 -11.608 1.00 0.00 WAT +ATOM 29157 H1 TIP3 7616 34.141 27.735 -11.737 1.00 0.00 WAT +ATOM 29158 H2 TIP3 7616 34.455 28.750 -10.687 1.00 0.00 WAT +ATOM 29159 OH2 TIP3 7617 39.934 27.243 -24.628 1.00 0.00 WAT +ATOM 29160 H1 TIP3 7617 40.290 26.483 -25.126 1.00 0.00 WAT +ATOM 29161 H2 TIP3 7617 39.570 26.796 -23.844 1.00 0.00 WAT +ATOM 29162 OH2 TIP3 7618 38.851 26.670 -21.876 1.00 0.00 WAT +ATOM 29163 H1 TIP3 7618 39.357 26.190 -21.209 1.00 0.00 WAT +ATOM 29164 H2 TIP3 7618 38.972 27.601 -21.594 1.00 0.00 WAT +ATOM 29165 OH2 TIP3 7619 35.657 24.157 -21.516 1.00 0.00 WAT +ATOM 29166 H1 TIP3 7619 34.932 24.548 -20.990 1.00 0.00 WAT +ATOM 29167 H2 TIP3 7619 36.123 24.958 -21.809 1.00 0.00 WAT +ATOM 29168 OH2 TIP3 7620 43.459 17.109 -11.064 1.00 0.00 WAT +ATOM 29169 H1 TIP3 7620 43.576 16.422 -10.404 1.00 0.00 WAT +ATOM 29170 H2 TIP3 7620 42.750 16.750 -11.617 1.00 0.00 WAT +ATOM 29171 OH2 TIP3 7621 41.668 28.311 -21.359 1.00 0.00 WAT +ATOM 29172 H1 TIP3 7621 40.886 28.839 -21.125 1.00 0.00 WAT +ATOM 29173 H2 TIP3 7621 42.110 28.891 -21.987 1.00 0.00 WAT +ATOM 29174 OH2 TIP3 7622 41.143 17.784 -19.276 1.00 0.00 WAT +ATOM 29175 H1 TIP3 7622 41.847 18.414 -19.004 1.00 0.00 WAT +ATOM 29176 H2 TIP3 7622 40.786 17.579 -18.387 1.00 0.00 WAT +ATOM 29177 OH2 TIP3 7623 41.473 18.633 -9.836 1.00 0.00 WAT +ATOM 29178 H1 TIP3 7623 41.686 19.549 -9.640 1.00 0.00 WAT +ATOM 29179 H2 TIP3 7623 42.229 18.316 -10.356 1.00 0.00 WAT +ATOM 29180 OH2 TIP3 7624 41.947 15.022 -18.101 1.00 0.00 WAT +ATOM 29181 H1 TIP3 7624 41.629 15.787 -17.569 1.00 0.00 WAT +ATOM 29182 H2 TIP3 7624 42.721 15.409 -18.546 1.00 0.00 WAT +ATOM 29183 OH2 TIP3 7625 38.937 29.395 -21.298 1.00 0.00 WAT +ATOM 29184 H1 TIP3 7625 38.908 30.216 -21.832 1.00 0.00 WAT +ATOM 29185 H2 TIP3 7625 38.801 29.737 -20.394 1.00 0.00 WAT +ATOM 29186 OH2 TIP3 7626 37.728 16.122 -21.904 1.00 0.00 WAT +ATOM 29187 H1 TIP3 7626 37.667 16.812 -21.221 1.00 0.00 WAT +ATOM 29188 H2 TIP3 7626 38.503 15.615 -21.605 1.00 0.00 WAT +ATOM 29189 OH2 TIP3 7627 36.101 26.955 -22.760 1.00 0.00 WAT +ATOM 29190 H1 TIP3 7627 36.817 27.467 -22.348 1.00 0.00 WAT +ATOM 29191 H2 TIP3 7627 36.615 26.463 -23.420 1.00 0.00 WAT +ATOM 29192 OH2 TIP3 7628 34.212 19.141 -23.589 1.00 0.00 WAT +ATOM 29193 H1 TIP3 7628 34.357 20.089 -23.404 1.00 0.00 WAT +ATOM 29194 H2 TIP3 7628 33.402 19.154 -24.112 1.00 0.00 WAT +ATOM 29195 OH2 TIP3 7629 35.135 14.191 -14.843 1.00 0.00 WAT +ATOM 29196 H1 TIP3 7629 34.963 14.193 -15.805 1.00 0.00 WAT +ATOM 29197 H2 TIP3 7629 34.786 13.329 -14.563 1.00 0.00 WAT +ATOM 29198 OH2 TIP3 7630 34.036 27.605 -18.681 1.00 0.00 WAT +ATOM 29199 H1 TIP3 7630 33.357 28.075 -18.172 1.00 0.00 WAT +ATOM 29200 H2 TIP3 7630 34.351 28.279 -19.304 1.00 0.00 WAT +ATOM 29201 OH2 TIP3 7631 33.422 30.554 -7.443 1.00 0.00 WAT +ATOM 29202 H1 TIP3 7631 34.023 30.280 -6.725 1.00 0.00 WAT +ATOM 29203 H2 TIP3 7631 33.041 29.697 -7.715 1.00 0.00 WAT +ATOM 29204 OH2 TIP3 7632 38.126 29.626 -5.631 1.00 0.00 WAT +ATOM 29205 H1 TIP3 7632 38.820 28.973 -5.450 1.00 0.00 WAT +ATOM 29206 H2 TIP3 7632 37.895 29.398 -6.547 1.00 0.00 WAT +ATOM 29207 OH2 TIP3 7633 42.306 28.887 -24.315 1.00 0.00 WAT +ATOM 29208 H1 TIP3 7633 41.474 28.370 -24.301 1.00 0.00 WAT +ATOM 29209 H2 TIP3 7633 42.938 28.160 -24.450 1.00 0.00 WAT +ATOM 29210 OH2 TIP3 7634 33.384 24.147 -6.261 1.00 0.00 WAT +ATOM 29211 H1 TIP3 7634 33.561 23.291 -6.701 1.00 0.00 WAT +ATOM 29212 H2 TIP3 7634 32.645 24.479 -6.806 1.00 0.00 WAT +ATOM 29213 OH2 TIP3 7635 37.622 24.644 -24.298 1.00 0.00 WAT +ATOM 29214 H1 TIP3 7635 37.794 24.047 -23.553 1.00 0.00 WAT +ATOM 29215 H2 TIP3 7635 38.480 24.615 -24.762 1.00 0.00 WAT +ATOM 29216 OH2 TIP3 7636 40.098 24.420 -6.998 1.00 0.00 WAT +ATOM 29217 H1 TIP3 7636 39.771 24.743 -7.854 1.00 0.00 WAT +ATOM 29218 H2 TIP3 7636 40.149 23.450 -7.135 1.00 0.00 WAT +ATOM 29219 OH2 TIP3 7637 42.601 25.967 -24.740 1.00 0.00 WAT +ATOM 29220 H1 TIP3 7637 42.786 26.072 -23.791 1.00 0.00 WAT +ATOM 29221 H2 TIP3 7637 42.442 25.009 -24.794 1.00 0.00 WAT +ATOM 29222 OH2 TIP3 7638 34.417 21.571 -7.036 1.00 0.00 WAT +ATOM 29223 H1 TIP3 7638 34.791 20.711 -7.256 1.00 0.00 WAT +ATOM 29224 H2 TIP3 7638 33.883 21.366 -6.267 1.00 0.00 WAT +ATOM 29225 OH2 TIP3 7639 38.716 22.696 -21.945 1.00 0.00 WAT +ATOM 29226 H1 TIP3 7639 38.082 22.189 -21.416 1.00 0.00 WAT +ATOM 29227 H2 TIP3 7639 39.017 22.016 -22.581 1.00 0.00 WAT +ATOM 29228 OH2 TIP3 7640 38.082 20.571 -9.638 1.00 0.00 WAT +ATOM 29229 H1 TIP3 7640 37.371 21.234 -9.627 1.00 0.00 WAT +ATOM 29230 H2 TIP3 7640 38.478 20.714 -10.511 1.00 0.00 WAT +ATOM 29231 OH2 TIP3 7641 39.790 20.721 -23.670 1.00 0.00 WAT +ATOM 29232 H1 TIP3 7641 39.696 20.778 -24.638 1.00 0.00 WAT +ATOM 29233 H2 TIP3 7641 40.747 20.848 -23.562 1.00 0.00 WAT +ATOM 29234 OH2 TIP3 7642 42.847 22.969 -5.976 1.00 0.00 WAT +ATOM 29235 H1 TIP3 7642 43.554 22.667 -6.553 1.00 0.00 WAT +ATOM 29236 H2 TIP3 7642 42.661 22.146 -5.492 1.00 0.00 WAT +ATOM 29237 OH2 TIP3 7643 38.457 17.765 -8.568 1.00 0.00 WAT +ATOM 29238 H1 TIP3 7643 38.692 17.155 -9.283 1.00 0.00 WAT +ATOM 29239 H2 TIP3 7643 38.394 18.604 -9.055 1.00 0.00 WAT +ATOM 29240 OH2 TIP3 7644 39.078 16.403 -11.446 1.00 0.00 WAT +ATOM 29241 H1 TIP3 7644 39.456 17.125 -11.992 1.00 0.00 WAT +ATOM 29242 H2 TIP3 7644 38.129 16.526 -11.610 1.00 0.00 WAT +ATOM 29243 OH2 TIP3 7645 40.821 21.620 -10.720 1.00 0.00 WAT +ATOM 29244 H1 TIP3 7645 41.204 21.450 -11.584 1.00 0.00 WAT +ATOM 29245 H2 TIP3 7645 40.404 22.484 -10.867 1.00 0.00 WAT +ATOM 29246 OH2 TIP3 7646 36.711 19.502 -6.596 1.00 0.00 WAT +ATOM 29247 H1 TIP3 7646 36.207 18.711 -6.882 1.00 0.00 WAT +ATOM 29248 H2 TIP3 7646 37.483 19.453 -7.183 1.00 0.00 WAT +ATOM 29249 OH2 TIP3 7647 39.652 13.747 -10.721 1.00 0.00 WAT +ATOM 29250 H1 TIP3 7647 39.526 14.679 -11.008 1.00 0.00 WAT +ATOM 29251 H2 TIP3 7647 39.023 13.289 -11.303 1.00 0.00 WAT +ATOM 29252 OH2 TIP3 7648 41.046 18.044 -6.957 1.00 0.00 WAT +ATOM 29253 H1 TIP3 7648 40.557 17.812 -6.154 1.00 0.00 WAT +ATOM 29254 H2 TIP3 7648 40.384 17.862 -7.648 1.00 0.00 WAT +ATOM 29255 OH2 TIP3 7649 35.420 17.121 -6.837 1.00 0.00 WAT +ATOM 29256 H1 TIP3 7649 35.217 16.632 -7.649 1.00 0.00 WAT +ATOM 29257 H2 TIP3 7649 35.023 16.560 -6.153 1.00 0.00 WAT +ATOM 29258 OH2 TIP3 7650 39.426 13.075 -7.947 1.00 0.00 WAT +ATOM 29259 H1 TIP3 7650 40.049 12.337 -7.892 1.00 0.00 WAT +ATOM 29260 H2 TIP3 7650 39.430 13.262 -8.907 1.00 0.00 WAT +ATOM 29261 OH2 TIP3 7651 40.327 14.856 -5.976 1.00 0.00 WAT +ATOM 29262 H1 TIP3 7651 40.096 14.326 -6.764 1.00 0.00 WAT +ATOM 29263 H2 TIP3 7651 39.742 15.623 -6.063 1.00 0.00 WAT +ATOM 29264 OH2 TIP3 7652 39.561 31.935 -22.591 1.00 0.00 WAT +ATOM 29265 H1 TIP3 7652 40.520 32.017 -22.509 1.00 0.00 WAT +ATOM 29266 H2 TIP3 7652 39.409 32.428 -23.410 1.00 0.00 WAT +ATOM 29267 OH2 TIP3 7653 33.336 26.367 -23.064 1.00 0.00 WAT +ATOM 29268 H1 TIP3 7653 34.289 26.558 -22.925 1.00 0.00 WAT +ATOM 29269 H2 TIP3 7653 33.368 25.588 -23.654 1.00 0.00 WAT +ATOM 29270 OH2 TIP3 7654 32.343 31.537 -18.296 1.00 0.00 WAT +ATOM 29271 H1 TIP3 7654 31.619 31.163 -18.834 1.00 0.00 WAT +ATOM 29272 H2 TIP3 7654 32.438 30.850 -17.605 1.00 0.00 WAT +ATOM 29273 OH2 TIP3 7655 32.720 29.460 -16.295 1.00 0.00 WAT +ATOM 29274 H1 TIP3 7655 32.417 28.575 -15.975 1.00 0.00 WAT +ATOM 29275 H2 TIP3 7655 33.045 29.784 -15.441 1.00 0.00 WAT +ATOM 29276 OH2 TIP3 7656 32.561 22.594 -13.957 1.00 0.00 WAT +ATOM 29277 H1 TIP3 7656 32.690 23.269 -14.635 1.00 0.00 WAT +ATOM 29278 H2 TIP3 7656 33.346 22.714 -13.404 1.00 0.00 WAT +ATOM 29279 OH2 TIP3 7657 32.722 18.361 -6.956 1.00 0.00 WAT +ATOM 29280 H1 TIP3 7657 33.357 18.383 -7.680 1.00 0.00 WAT +ATOM 29281 H2 TIP3 7657 31.983 17.884 -7.348 1.00 0.00 WAT +ATOM 29282 OH2 TIP3 7658 33.618 16.746 -14.692 1.00 0.00 WAT +ATOM 29283 H1 TIP3 7658 34.051 15.879 -14.603 1.00 0.00 WAT +ATOM 29284 H2 TIP3 7658 34.298 17.332 -14.316 1.00 0.00 WAT +ATOM 29285 OH2 TIP3 7659 32.018 19.498 -13.584 1.00 0.00 WAT +ATOM 29286 H1 TIP3 7659 32.661 19.389 -14.302 1.00 0.00 WAT +ATOM 29287 H2 TIP3 7659 32.267 20.386 -13.276 1.00 0.00 WAT +ATOM 29288 OH2 TIP3 7660 32.363 15.581 -19.701 1.00 0.00 WAT +ATOM 29289 H1 TIP3 7660 31.431 15.831 -19.835 1.00 0.00 WAT +ATOM 29290 H2 TIP3 7660 32.846 16.201 -20.276 1.00 0.00 WAT +ATOM 29291 OH2 TIP3 7661 32.542 14.477 -11.496 1.00 0.00 WAT +ATOM 29292 H1 TIP3 7661 31.829 14.297 -10.862 1.00 0.00 WAT +ATOM 29293 H2 TIP3 7661 32.075 15.041 -12.140 1.00 0.00 WAT +ATOM 29294 OH2 TIP3 7662 34.556 27.601 -6.818 1.00 0.00 WAT +ATOM 29295 H1 TIP3 7662 33.846 27.527 -7.477 1.00 0.00 WAT +ATOM 29296 H2 TIP3 7662 34.064 27.583 -5.988 1.00 0.00 WAT +ATOM 29297 OH2 TIP3 7663 37.429 28.577 -11.117 1.00 0.00 WAT +ATOM 29298 H1 TIP3 7663 37.044 29.393 -11.481 1.00 0.00 WAT +ATOM 29299 H2 TIP3 7663 38.374 28.729 -11.308 1.00 0.00 WAT +ATOM 29300 OH2 TIP3 7664 42.207 30.213 -8.252 1.00 0.00 WAT +ATOM 29301 H1 TIP3 7664 42.041 29.866 -7.361 1.00 0.00 WAT +ATOM 29302 H2 TIP3 7664 43.152 30.441 -8.173 1.00 0.00 WAT +ATOM 29303 OH2 TIP3 7665 34.852 31.638 -10.770 1.00 0.00 WAT +ATOM 29304 H1 TIP3 7665 34.197 32.174 -11.247 1.00 0.00 WAT +ATOM 29305 H2 TIP3 7665 34.415 31.539 -9.917 1.00 0.00 WAT +ATOM 29306 OH2 TIP3 7666 37.312 31.334 -12.235 1.00 0.00 WAT +ATOM 29307 H1 TIP3 7666 36.451 31.467 -11.786 1.00 0.00 WAT +ATOM 29308 H2 TIP3 7666 37.291 32.030 -12.912 1.00 0.00 WAT +ATOM 29309 OH2 TIP3 7667 41.970 31.084 -12.693 1.00 0.00 WAT +ATOM 29310 H1 TIP3 7667 41.774 31.590 -13.496 1.00 0.00 WAT +ATOM 29311 H2 TIP3 7667 42.581 31.666 -12.225 1.00 0.00 WAT +ATOM 29312 OH2 TIP3 7668 34.346 30.359 -13.851 1.00 0.00 WAT +ATOM 29313 H1 TIP3 7668 34.224 29.810 -13.037 1.00 0.00 WAT +ATOM 29314 H2 TIP3 7668 35.037 29.832 -14.292 1.00 0.00 WAT +ATOM 29315 OH2 TIP3 7669 36.378 29.064 -15.509 1.00 0.00 WAT +ATOM 29316 H1 TIP3 7669 36.159 28.172 -15.142 1.00 0.00 WAT +ATOM 29317 H2 TIP3 7669 37.214 29.254 -15.052 1.00 0.00 WAT +ATOM 29318 OH2 TIP3 7670 39.150 29.606 -14.530 1.00 0.00 WAT +ATOM 29319 H1 TIP3 7670 39.332 28.687 -14.746 1.00 0.00 WAT +ATOM 29320 H2 TIP3 7670 39.189 29.594 -13.559 1.00 0.00 WAT +ATOM 29321 OH2 TIP3 7671 42.748 15.042 -15.220 1.00 0.00 WAT +ATOM 29322 H1 TIP3 7671 41.850 14.703 -15.063 1.00 0.00 WAT +ATOM 29323 H2 TIP3 7671 42.923 14.698 -16.099 1.00 0.00 WAT +ATOM 29324 OH2 TIP3 7672 34.781 14.150 -17.680 1.00 0.00 WAT +ATOM 29325 H1 TIP3 7672 33.916 13.968 -18.098 1.00 0.00 WAT +ATOM 29326 H2 TIP3 7672 35.223 13.289 -17.796 1.00 0.00 WAT +ATOM 29327 OH2 TIP3 7673 33.602 13.652 -21.790 1.00 0.00 WAT +ATOM 29328 H1 TIP3 7673 34.122 14.314 -22.283 1.00 0.00 WAT +ATOM 29329 H2 TIP3 7673 33.182 14.189 -21.097 1.00 0.00 WAT +ATOM 29330 OH2 TIP3 7674 39.299 13.973 -17.798 1.00 0.00 WAT +ATOM 29331 H1 TIP3 7674 40.224 14.271 -17.871 1.00 0.00 WAT +ATOM 29332 H2 TIP3 7674 39.225 13.886 -16.838 1.00 0.00 WAT +ATOM 29333 OH2 TIP3 7675 33.834 29.617 -20.672 1.00 0.00 WAT +ATOM 29334 H1 TIP3 7675 33.159 29.498 -21.356 1.00 0.00 WAT +ATOM 29335 H2 TIP3 7675 33.784 30.572 -20.536 1.00 0.00 WAT +ATOM 29336 OH2 TIP3 7676 35.320 15.479 -23.367 1.00 0.00 WAT +ATOM 29337 H1 TIP3 7676 35.919 14.906 -23.876 1.00 0.00 WAT +ATOM 29338 H2 TIP3 7676 35.927 15.819 -22.682 1.00 0.00 WAT +ATOM 29339 OH2 TIP3 7677 40.664 15.622 -20.821 1.00 0.00 WAT +ATOM 29340 H1 TIP3 7677 40.641 14.984 -20.092 1.00 0.00 WAT +ATOM 29341 H2 TIP3 7677 40.622 16.467 -20.328 1.00 0.00 WAT +ATOM 29342 OH2 TIP3 7678 42.630 31.241 -22.540 1.00 0.00 WAT +ATOM 29343 H1 TIP3 7678 43.508 31.624 -22.717 1.00 0.00 WAT +ATOM 29344 H2 TIP3 7678 42.495 30.659 -23.309 1.00 0.00 WAT +ATOM 29345 OH2 TIP3 7679 34.612 14.298 -8.209 1.00 0.00 WAT +ATOM 29346 H1 TIP3 7679 34.258 13.572 -7.682 1.00 0.00 WAT +ATOM 29347 H2 TIP3 7679 35.536 14.314 -7.906 1.00 0.00 WAT +ATOM 29348 OH2 TIP3 7680 36.947 13.777 -6.424 1.00 0.00 WAT +ATOM 29349 H1 TIP3 7680 37.800 13.462 -6.783 1.00 0.00 WAT +ATOM 29350 H2 TIP3 7680 36.655 12.989 -5.936 1.00 0.00 WAT +ATOM 29351 OH2 TIP3 7681 35.236 30.553 -23.838 1.00 0.00 WAT +ATOM 29352 H1 TIP3 7681 34.991 30.804 -22.935 1.00 0.00 WAT +ATOM 29353 H2 TIP3 7681 36.009 29.983 -23.694 1.00 0.00 WAT +ATOM 29354 OH2 TIP3 7682 -31.582 42.024 -17.604 1.00 0.00 WAT +ATOM 29355 H1 TIP3 7682 -31.877 42.944 -17.575 1.00 0.00 WAT +ATOM 29356 H2 TIP3 7682 -32.329 41.611 -18.060 1.00 0.00 WAT +ATOM 29357 OH2 TIP3 7683 -32.800 41.325 -14.316 1.00 0.00 WAT +ATOM 29358 H1 TIP3 7683 -32.753 40.798 -13.502 1.00 0.00 WAT +ATOM 29359 H2 TIP3 7683 -33.035 40.671 -14.982 1.00 0.00 WAT +ATOM 29360 OH2 TIP3 7684 -40.214 40.743 -12.756 1.00 0.00 WAT +ATOM 29361 H1 TIP3 7684 -40.330 40.052 -12.078 1.00 0.00 WAT +ATOM 29362 H2 TIP3 7684 -39.675 41.378 -12.267 1.00 0.00 WAT +ATOM 29363 OH2 TIP3 7685 -42.124 39.221 -19.955 1.00 0.00 WAT +ATOM 29364 H1 TIP3 7685 -42.343 39.995 -19.416 1.00 0.00 WAT +ATOM 29365 H2 TIP3 7685 -42.988 38.795 -20.038 1.00 0.00 WAT +ATOM 29366 OH2 TIP3 7686 -41.940 41.202 -17.209 1.00 0.00 WAT +ATOM 29367 H1 TIP3 7686 -41.958 40.566 -16.478 1.00 0.00 WAT +ATOM 29368 H2 TIP3 7686 -41.001 41.419 -17.212 1.00 0.00 WAT +ATOM 29369 OH2 TIP3 7687 -25.589 35.211 -13.127 1.00 0.00 WAT +ATOM 29370 H1 TIP3 7687 -25.356 35.850 -12.433 1.00 0.00 WAT +ATOM 29371 H2 TIP3 7687 -24.989 35.501 -13.841 1.00 0.00 WAT +ATOM 29372 OH2 TIP3 7688 -30.952 38.037 -13.256 1.00 0.00 WAT +ATOM 29373 H1 TIP3 7688 -30.827 37.074 -13.216 1.00 0.00 WAT +ATOM 29374 H2 TIP3 7688 -31.049 38.181 -14.209 1.00 0.00 WAT +ATOM 29375 OH2 TIP3 7689 -37.980 36.052 -16.198 1.00 0.00 WAT +ATOM 29376 H1 TIP3 7689 -37.850 36.911 -16.648 1.00 0.00 WAT +ATOM 29377 H2 TIP3 7689 -38.342 35.525 -16.937 1.00 0.00 WAT +ATOM 29378 OH2 TIP3 7690 -30.136 36.218 -17.876 1.00 0.00 WAT +ATOM 29379 H1 TIP3 7690 -29.550 35.797 -17.210 1.00 0.00 WAT +ATOM 29380 H2 TIP3 7690 -29.482 36.675 -18.426 1.00 0.00 WAT +ATOM 29381 OH2 TIP3 7691 -41.427 38.778 -15.699 1.00 0.00 WAT +ATOM 29382 H1 TIP3 7691 -40.829 38.433 -15.014 1.00 0.00 WAT +ATOM 29383 H2 TIP3 7691 -41.173 38.221 -16.455 1.00 0.00 WAT +ATOM 29384 OH2 TIP3 7692 -35.886 40.177 -16.219 1.00 0.00 WAT +ATOM 29385 H1 TIP3 7692 -35.215 39.592 -15.810 1.00 0.00 WAT +ATOM 29386 H2 TIP3 7692 -36.447 39.527 -16.682 1.00 0.00 WAT +ATOM 29387 OH2 TIP3 7693 -24.868 36.590 -10.648 1.00 0.00 WAT +ATOM 29388 H1 TIP3 7693 -25.434 37.322 -10.957 1.00 0.00 WAT +ATOM 29389 H2 TIP3 7693 -25.087 36.583 -9.707 1.00 0.00 WAT +ATOM 29390 OH2 TIP3 7694 -39.186 34.865 -12.024 1.00 0.00 WAT +ATOM 29391 H1 TIP3 7694 -39.620 35.339 -12.748 1.00 0.00 WAT +ATOM 29392 H2 TIP3 7694 -39.813 35.033 -11.292 1.00 0.00 WAT +ATOM 29393 OH2 TIP3 7695 -36.465 42.665 -12.241 1.00 0.00 WAT +ATOM 29394 H1 TIP3 7695 -37.275 43.195 -12.184 1.00 0.00 WAT +ATOM 29395 H2 TIP3 7695 -35.809 43.371 -12.327 1.00 0.00 WAT +ATOM 29396 OH2 TIP3 7696 -28.302 35.446 -15.832 1.00 0.00 WAT +ATOM 29397 H1 TIP3 7696 -28.733 34.899 -15.163 1.00 0.00 WAT +ATOM 29398 H2 TIP3 7696 -27.792 36.067 -15.281 1.00 0.00 WAT +ATOM 29399 OH2 TIP3 7697 -39.575 36.905 -14.100 1.00 0.00 WAT +ATOM 29400 H1 TIP3 7697 -38.943 37.492 -13.637 1.00 0.00 WAT +ATOM 29401 H2 TIP3 7697 -38.995 36.542 -14.805 1.00 0.00 WAT +ATOM 29402 OH2 TIP3 7698 -28.179 34.594 -11.997 1.00 0.00 WAT +ATOM 29403 H1 TIP3 7698 -28.947 35.009 -12.432 1.00 0.00 WAT +ATOM 29404 H2 TIP3 7698 -27.453 34.813 -12.612 1.00 0.00 WAT +ATOM 29405 OH2 TIP3 7699 -35.053 32.330 -14.939 1.00 0.00 WAT +ATOM 29406 H1 TIP3 7699 -35.292 31.385 -14.995 1.00 0.00 WAT +ATOM 29407 H2 TIP3 7699 -35.877 32.717 -14.572 1.00 0.00 WAT +ATOM 29408 OH2 TIP3 7700 -33.080 41.435 -20.204 1.00 0.00 WAT +ATOM 29409 H1 TIP3 7700 -33.720 41.785 -20.836 1.00 0.00 WAT +ATOM 29410 H2 TIP3 7700 -32.297 41.337 -20.775 1.00 0.00 WAT +ATOM 29411 OH2 TIP3 7701 -32.671 39.419 -23.021 1.00 0.00 WAT +ATOM 29412 H1 TIP3 7701 -31.943 39.788 -22.489 1.00 0.00 WAT +ATOM 29413 H2 TIP3 7701 -32.173 38.923 -23.686 1.00 0.00 WAT +ATOM 29414 OH2 TIP3 7702 -25.555 40.542 -11.958 1.00 0.00 WAT +ATOM 29415 H1 TIP3 7702 -26.199 41.272 -11.822 1.00 0.00 WAT +ATOM 29416 H2 TIP3 7702 -25.036 40.939 -12.690 1.00 0.00 WAT +ATOM 29417 OH2 TIP3 7703 -29.362 41.397 -19.193 1.00 0.00 WAT +ATOM 29418 H1 TIP3 7703 -30.014 41.623 -18.500 1.00 0.00 WAT +ATOM 29419 H2 TIP3 7703 -28.693 40.900 -18.686 1.00 0.00 WAT +ATOM 29420 OH2 TIP3 7704 -29.632 39.803 -10.265 1.00 0.00 WAT +ATOM 29421 H1 TIP3 7704 -29.591 40.573 -9.675 1.00 0.00 WAT +ATOM 29422 H2 TIP3 7704 -30.180 40.180 -10.976 1.00 0.00 WAT +ATOM 29423 OH2 TIP3 7705 -37.709 42.169 -17.298 1.00 0.00 WAT +ATOM 29424 H1 TIP3 7705 -38.001 41.813 -18.156 1.00 0.00 WAT +ATOM 29425 H2 TIP3 7705 -37.019 41.536 -17.040 1.00 0.00 WAT +ATOM 29426 OH2 TIP3 7706 -37.306 40.748 -13.905 1.00 0.00 WAT +ATOM 29427 H1 TIP3 7706 -36.684 40.772 -14.657 1.00 0.00 WAT +ATOM 29428 H2 TIP3 7706 -36.958 41.447 -13.313 1.00 0.00 WAT +ATOM 29429 OH2 TIP3 7707 -30.561 40.743 -21.551 1.00 0.00 WAT +ATOM 29430 H1 TIP3 7707 -29.984 41.010 -20.798 1.00 0.00 WAT +ATOM 29431 H2 TIP3 7707 -30.089 41.189 -22.302 1.00 0.00 WAT +ATOM 29432 OH2 TIP3 7708 -39.567 41.443 -9.893 1.00 0.00 WAT +ATOM 29433 H1 TIP3 7708 -39.488 42.019 -9.098 1.00 0.00 WAT +ATOM 29434 H2 TIP3 7708 -40.480 41.667 -10.151 1.00 0.00 WAT +ATOM 29435 OH2 TIP3 7709 -27.050 32.460 -22.125 1.00 0.00 WAT +ATOM 29436 H1 TIP3 7709 -27.917 32.575 -21.696 1.00 0.00 WAT +ATOM 29437 H2 TIP3 7709 -26.690 33.361 -22.093 1.00 0.00 WAT +ATOM 29438 OH2 TIP3 7710 -38.961 40.865 -19.753 1.00 0.00 WAT +ATOM 29439 H1 TIP3 7710 -39.123 41.641 -20.327 1.00 0.00 WAT +ATOM 29440 H2 TIP3 7710 -39.626 40.236 -20.066 1.00 0.00 WAT +ATOM 29441 OH2 TIP3 7711 -42.012 42.776 -11.104 1.00 0.00 WAT +ATOM 29442 H1 TIP3 7711 -42.578 43.136 -11.801 1.00 0.00 WAT +ATOM 29443 H2 TIP3 7711 -42.639 42.417 -10.450 1.00 0.00 WAT +ATOM 29444 OH2 TIP3 7712 -27.643 38.370 -7.923 1.00 0.00 WAT +ATOM 29445 H1 TIP3 7712 -28.146 38.760 -8.651 1.00 0.00 WAT +ATOM 29446 H2 TIP3 7712 -27.591 37.437 -8.205 1.00 0.00 WAT +ATOM 29447 OH2 TIP3 7713 -37.481 33.480 -14.038 1.00 0.00 WAT +ATOM 29448 H1 TIP3 7713 -38.314 33.393 -14.537 1.00 0.00 WAT +ATOM 29449 H2 TIP3 7713 -37.712 34.214 -13.447 1.00 0.00 WAT +ATOM 29450 OH2 TIP3 7714 -33.108 33.056 -10.395 1.00 0.00 WAT +ATOM 29451 H1 TIP3 7714 -32.589 32.538 -9.750 1.00 0.00 WAT +ATOM 29452 H2 TIP3 7714 -34.018 32.730 -10.261 1.00 0.00 WAT +ATOM 29453 OH2 TIP3 7715 -29.932 36.851 -9.864 1.00 0.00 WAT +ATOM 29454 H1 TIP3 7715 -30.551 36.707 -9.124 1.00 0.00 WAT +ATOM 29455 H2 TIP3 7715 -30.017 37.805 -10.042 1.00 0.00 WAT +ATOM 29456 OH2 TIP3 7716 -29.167 41.759 -23.613 1.00 0.00 WAT +ATOM 29457 H1 TIP3 7716 -29.214 41.584 -24.569 1.00 0.00 WAT +ATOM 29458 H2 TIP3 7716 -28.276 42.156 -23.541 1.00 0.00 WAT +ATOM 29459 OH2 TIP3 7717 -33.303 35.575 -23.122 1.00 0.00 WAT +ATOM 29460 H1 TIP3 7717 -33.796 35.441 -22.300 1.00 0.00 WAT +ATOM 29461 H2 TIP3 7717 -33.708 34.895 -23.688 1.00 0.00 WAT +ATOM 29462 OH2 TIP3 7718 -37.609 38.269 -12.607 1.00 0.00 WAT +ATOM 29463 H1 TIP3 7718 -38.232 38.388 -11.870 1.00 0.00 WAT +ATOM 29464 H2 TIP3 7718 -37.559 39.174 -12.986 1.00 0.00 WAT +ATOM 29465 OH2 TIP3 7719 -37.694 38.329 -17.751 1.00 0.00 WAT +ATOM 29466 H1 TIP3 7719 -38.651 38.298 -17.928 1.00 0.00 WAT +ATOM 29467 H2 TIP3 7719 -37.342 38.166 -18.648 1.00 0.00 WAT +ATOM 29468 OH2 TIP3 7720 -32.071 38.981 -18.950 1.00 0.00 WAT +ATOM 29469 H1 TIP3 7720 -32.523 39.752 -19.341 1.00 0.00 WAT +ATOM 29470 H2 TIP3 7720 -31.389 38.793 -19.618 1.00 0.00 WAT +ATOM 29471 OH2 TIP3 7721 -32.870 39.208 -7.534 1.00 0.00 WAT +ATOM 29472 H1 TIP3 7721 -33.371 38.434 -7.211 1.00 0.00 WAT +ATOM 29473 H2 TIP3 7721 -31.983 39.045 -7.161 1.00 0.00 WAT +ATOM 29474 OH2 TIP3 7722 -31.235 38.299 -16.195 1.00 0.00 WAT +ATOM 29475 H1 TIP3 7722 -31.503 38.855 -16.952 1.00 0.00 WAT +ATOM 29476 H2 TIP3 7722 -30.986 37.486 -16.678 1.00 0.00 WAT +ATOM 29477 OH2 TIP3 7723 -40.231 38.424 -10.801 1.00 0.00 WAT +ATOM 29478 H1 TIP3 7723 -39.996 38.840 -9.963 1.00 0.00 WAT +ATOM 29479 H2 TIP3 7723 -40.517 37.540 -10.511 1.00 0.00 WAT +ATOM 29480 OH2 TIP3 7724 -36.865 36.029 -24.191 1.00 0.00 WAT +ATOM 29481 H1 TIP3 7724 -37.245 35.646 -23.377 1.00 0.00 WAT +ATOM 29482 H2 TIP3 7724 -37.644 36.171 -24.741 1.00 0.00 WAT +ATOM 29483 OH2 TIP3 7725 -43.203 36.043 -17.135 1.00 0.00 WAT +ATOM 29484 H1 TIP3 7725 -43.040 35.801 -16.203 1.00 0.00 WAT +ATOM 29485 H2 TIP3 7725 -42.783 35.318 -17.602 1.00 0.00 WAT +ATOM 29486 OH2 TIP3 7726 -42.083 36.452 -21.305 1.00 0.00 WAT +ATOM 29487 H1 TIP3 7726 -41.484 36.739 -22.017 1.00 0.00 WAT +ATOM 29488 H2 TIP3 7726 -42.910 36.868 -21.571 1.00 0.00 WAT +ATOM 29489 OH2 TIP3 7727 -32.253 39.966 -11.766 1.00 0.00 WAT +ATOM 29490 H1 TIP3 7727 -31.704 39.303 -12.239 1.00 0.00 WAT +ATOM 29491 H2 TIP3 7727 -32.513 39.465 -10.979 1.00 0.00 WAT +ATOM 29492 OH2 TIP3 7728 -34.908 35.925 -16.712 1.00 0.00 WAT +ATOM 29493 H1 TIP3 7728 -35.851 35.905 -16.479 1.00 0.00 WAT +ATOM 29494 H2 TIP3 7728 -34.493 35.766 -15.846 1.00 0.00 WAT +ATOM 29495 OH2 TIP3 7729 -40.413 37.201 -18.090 1.00 0.00 WAT +ATOM 29496 H1 TIP3 7729 -41.145 37.346 -18.706 1.00 0.00 WAT +ATOM 29497 H2 TIP3 7729 -40.031 36.369 -18.429 1.00 0.00 WAT +ATOM 29498 OH2 TIP3 7730 -36.711 37.487 -20.371 1.00 0.00 WAT +ATOM 29499 H1 TIP3 7730 -35.744 37.579 -20.305 1.00 0.00 WAT +ATOM 29500 H2 TIP3 7730 -36.955 38.107 -21.081 1.00 0.00 WAT +ATOM 29501 OH2 TIP3 7731 -30.515 35.063 -13.703 1.00 0.00 WAT +ATOM 29502 H1 TIP3 7731 -31.149 35.082 -12.952 1.00 0.00 WAT +ATOM 29503 H2 TIP3 7731 -31.106 34.738 -14.404 1.00 0.00 WAT +ATOM 29504 OH2 TIP3 7732 -38.262 38.777 -22.588 1.00 0.00 WAT +ATOM 29505 H1 TIP3 7732 -38.825 38.438 -23.301 1.00 0.00 WAT +ATOM 29506 H2 TIP3 7732 -37.437 38.969 -23.070 1.00 0.00 WAT +ATOM 29507 OH2 TIP3 7733 -39.557 43.077 -7.751 1.00 0.00 WAT +ATOM 29508 H1 TIP3 7733 -38.906 43.569 -7.214 1.00 0.00 WAT +ATOM 29509 H2 TIP3 7733 -40.364 43.213 -7.212 1.00 0.00 WAT +ATOM 29510 OH2 TIP3 7734 -33.910 38.481 -14.905 1.00 0.00 WAT +ATOM 29511 H1 TIP3 7734 -33.137 38.082 -15.333 1.00 0.00 WAT +ATOM 29512 H2 TIP3 7734 -34.040 37.895 -14.133 1.00 0.00 WAT +ATOM 29513 OH2 TIP3 7735 -38.732 34.851 -18.644 1.00 0.00 WAT +ATOM 29514 H1 TIP3 7735 -39.165 33.988 -18.593 1.00 0.00 WAT +ATOM 29515 H2 TIP3 7735 -37.919 34.636 -19.123 1.00 0.00 WAT +ATOM 29516 OH2 TIP3 7736 -34.918 36.941 -12.650 1.00 0.00 WAT +ATOM 29517 H1 TIP3 7736 -35.694 37.527 -12.636 1.00 0.00 WAT +ATOM 29518 H2 TIP3 7736 -34.424 37.211 -11.851 1.00 0.00 WAT +ATOM 29519 OH2 TIP3 7737 -35.265 43.652 -20.461 1.00 0.00 WAT +ATOM 29520 H1 TIP3 7737 -35.582 43.006 -21.119 1.00 0.00 WAT +ATOM 29521 H2 TIP3 7737 -34.653 43.167 -19.903 1.00 0.00 WAT +ATOM 29522 OH2 TIP3 7738 -27.313 42.652 -12.073 1.00 0.00 WAT +ATOM 29523 H1 TIP3 7738 -27.045 43.113 -12.888 1.00 0.00 WAT +ATOM 29524 H2 TIP3 7738 -28.264 42.563 -12.270 1.00 0.00 WAT +ATOM 29525 OH2 TIP3 7739 -30.618 36.149 -22.971 1.00 0.00 WAT +ATOM 29526 H1 TIP3 7739 -31.600 36.145 -23.019 1.00 0.00 WAT +ATOM 29527 H2 TIP3 7739 -30.427 36.887 -22.359 1.00 0.00 WAT +ATOM 29528 OH2 TIP3 7740 -29.939 37.978 -20.900 1.00 0.00 WAT +ATOM 29529 H1 TIP3 7740 -29.056 37.811 -20.516 1.00 0.00 WAT +ATOM 29530 H2 TIP3 7740 -29.818 38.846 -21.325 1.00 0.00 WAT +ATOM 29531 OH2 TIP3 7741 -39.728 42.168 -15.434 1.00 0.00 WAT +ATOM 29532 H1 TIP3 7741 -38.851 42.324 -15.838 1.00 0.00 WAT +ATOM 29533 H2 TIP3 7741 -39.494 41.665 -14.635 1.00 0.00 WAT +ATOM 29534 OH2 TIP3 7742 -42.827 41.080 -9.191 1.00 0.00 WAT +ATOM 29535 H1 TIP3 7742 -42.371 40.473 -8.584 1.00 0.00 WAT +ATOM 29536 H2 TIP3 7742 -42.987 40.527 -9.987 1.00 0.00 WAT +ATOM 29537 OH2 TIP3 7743 -35.418 40.496 -7.651 1.00 0.00 WAT +ATOM 29538 H1 TIP3 7743 -35.774 40.270 -8.527 1.00 0.00 WAT +ATOM 29539 H2 TIP3 7743 -34.475 40.278 -7.766 1.00 0.00 WAT +ATOM 29540 OH2 TIP3 7744 -25.366 37.982 -21.176 1.00 0.00 WAT +ATOM 29541 H1 TIP3 7744 -25.906 37.789 -21.968 1.00 0.00 WAT +ATOM 29542 H2 TIP3 7744 -25.230 38.938 -21.323 1.00 0.00 WAT +ATOM 29543 OH2 TIP3 7745 -29.893 41.807 -13.397 1.00 0.00 WAT +ATOM 29544 H1 TIP3 7745 -30.802 41.820 -13.735 1.00 0.00 WAT +ATOM 29545 H2 TIP3 7745 -29.405 41.354 -14.101 1.00 0.00 WAT +ATOM 29546 OH2 TIP3 7746 -41.588 40.999 -22.972 1.00 0.00 WAT +ATOM 29547 H1 TIP3 7746 -40.831 41.460 -22.574 1.00 0.00 WAT +ATOM 29548 H2 TIP3 7746 -42.291 41.638 -22.771 1.00 0.00 WAT +ATOM 29549 OH2 TIP3 7747 -40.999 35.722 -10.011 1.00 0.00 WAT +ATOM 29550 H1 TIP3 7747 -41.853 36.077 -10.324 1.00 0.00 WAT +ATOM 29551 H2 TIP3 7747 -41.229 34.866 -9.610 1.00 0.00 WAT +ATOM 29552 OH2 TIP3 7748 -39.597 -43.930 -21.348 1.00 0.00 WAT +ATOM 29553 H1 TIP3 7748 -40.509 -43.579 -21.266 1.00 0.00 WAT +ATOM 29554 H2 TIP3 7748 -39.110 -43.116 -21.544 1.00 0.00 WAT +ATOM 29555 OH2 TIP3 7749 -32.088 35.477 -11.506 1.00 0.00 WAT +ATOM 29556 H1 TIP3 7749 -31.489 35.761 -10.800 1.00 0.00 WAT +ATOM 29557 H2 TIP3 7749 -32.592 34.753 -11.086 1.00 0.00 WAT +ATOM 29558 OH2 TIP3 7750 -31.464 34.925 -20.238 1.00 0.00 WAT +ATOM 29559 H1 TIP3 7750 -31.285 35.449 -21.034 1.00 0.00 WAT +ATOM 29560 H2 TIP3 7750 -31.001 35.436 -19.551 1.00 0.00 WAT +ATOM 29561 OH2 TIP3 7751 -34.042 36.920 -19.289 1.00 0.00 WAT +ATOM 29562 H1 TIP3 7751 -33.280 37.516 -19.146 1.00 0.00 WAT +ATOM 29563 H2 TIP3 7751 -34.337 36.755 -18.373 1.00 0.00 WAT +ATOM 29564 OH2 TIP3 7752 -33.655 37.903 -10.116 1.00 0.00 WAT +ATOM 29565 H1 TIP3 7752 -33.612 38.407 -9.287 1.00 0.00 WAT +ATOM 29566 H2 TIP3 7752 -33.159 37.107 -9.885 1.00 0.00 WAT +ATOM 29567 OH2 TIP3 7753 -33.460 33.934 -18.347 1.00 0.00 WAT +ATOM 29568 H1 TIP3 7753 -33.664 34.631 -17.695 1.00 0.00 WAT +ATOM 29569 H2 TIP3 7753 -32.732 34.350 -18.852 1.00 0.00 WAT +ATOM 29570 OH2 TIP3 7754 -37.744 34.944 -21.766 1.00 0.00 WAT +ATOM 29571 H1 TIP3 7754 -37.654 35.752 -21.231 1.00 0.00 WAT +ATOM 29572 H2 TIP3 7754 -36.923 34.469 -21.526 1.00 0.00 WAT +ATOM 29573 OH2 TIP3 7755 -27.407 35.834 -9.243 1.00 0.00 WAT +ATOM 29574 H1 TIP3 7755 -28.364 35.972 -9.397 1.00 0.00 WAT +ATOM 29575 H2 TIP3 7755 -27.142 35.638 -10.153 1.00 0.00 WAT +ATOM 29576 OH2 TIP3 7756 -28.872 39.666 -15.298 1.00 0.00 WAT +ATOM 29577 H1 TIP3 7756 -29.719 39.225 -15.484 1.00 0.00 WAT +ATOM 29578 H2 TIP3 7756 -28.404 38.994 -14.760 1.00 0.00 WAT +ATOM 29579 OH2 TIP3 7757 -41.126 37.985 -23.619 1.00 0.00 WAT +ATOM 29580 H1 TIP3 7757 -41.080 38.919 -23.368 1.00 0.00 WAT +ATOM 29581 H2 TIP3 7757 -41.983 37.888 -24.043 1.00 0.00 WAT +ATOM 29582 OH2 TIP3 7758 -40.241 32.939 -14.887 1.00 0.00 WAT +ATOM 29583 H1 TIP3 7758 -40.587 32.939 -15.797 1.00 0.00 WAT +ATOM 29584 H2 TIP3 7758 -40.686 32.156 -14.501 1.00 0.00 WAT +ATOM 29585 OH2 TIP3 7759 -41.990 43.491 -6.660 1.00 0.00 WAT +ATOM 29586 H1 TIP3 7759 -41.935 42.529 -6.604 1.00 0.00 WAT +ATOM 29587 H2 TIP3 7759 -42.940 43.609 -6.470 1.00 0.00 WAT +ATOM 29588 OH2 TIP3 7760 -35.864 43.286 -7.266 1.00 0.00 WAT +ATOM 29589 H1 TIP3 7760 -35.847 43.455 -8.230 1.00 0.00 WAT +ATOM 29590 H2 TIP3 7760 -35.514 42.373 -7.225 1.00 0.00 WAT +ATOM 29591 OH2 TIP3 7761 -29.849 -43.761 -9.520 1.00 0.00 WAT +ATOM 29592 H1 TIP3 7761 -29.052 -43.329 -9.861 1.00 0.00 WAT +ATOM 29593 H2 TIP3 7761 -30.522 -43.097 -9.713 1.00 0.00 WAT +ATOM 29594 OH2 TIP3 7762 -41.303 40.206 -6.995 1.00 0.00 WAT +ATOM 29595 H1 TIP3 7762 -40.501 39.659 -7.083 1.00 0.00 WAT +ATOM 29596 H2 TIP3 7762 -41.324 40.366 -6.042 1.00 0.00 WAT +ATOM 29597 OH2 TIP3 7763 -36.616 41.615 -22.002 1.00 0.00 WAT +ATOM 29598 H1 TIP3 7763 -37.269 41.200 -21.425 1.00 0.00 WAT +ATOM 29599 H2 TIP3 7763 -36.461 40.923 -22.673 1.00 0.00 WAT +ATOM 29600 OH2 TIP3 7764 -37.464 39.336 -9.661 1.00 0.00 WAT +ATOM 29601 H1 TIP3 7764 -38.060 40.091 -9.503 1.00 0.00 WAT +ATOM 29602 H2 TIP3 7764 -36.850 39.702 -10.321 1.00 0.00 WAT +ATOM 29603 OH2 TIP3 7765 -35.783 39.565 -23.733 1.00 0.00 WAT +ATOM 29604 H1 TIP3 7765 -35.799 39.716 -24.697 1.00 0.00 WAT +ATOM 29605 H2 TIP3 7765 -34.824 39.555 -23.558 1.00 0.00 WAT +ATOM 29606 OH2 TIP3 7766 -32.180 42.158 -6.122 1.00 0.00 WAT +ATOM 29607 H1 TIP3 7766 -31.311 41.960 -6.489 1.00 0.00 WAT +ATOM 29608 H2 TIP3 7766 -32.518 41.290 -5.889 1.00 0.00 WAT +ATOM 29609 OH2 TIP3 7767 -26.502 41.886 -24.503 1.00 0.00 WAT +ATOM 29610 H1 TIP3 7767 -26.568 41.826 -25.470 1.00 0.00 WAT +ATOM 29611 H2 TIP3 7767 -26.440 42.849 -24.337 1.00 0.00 WAT +ATOM 29612 OH2 TIP3 7768 -36.902 36.626 -8.556 1.00 0.00 WAT +ATOM 29613 H1 TIP3 7768 -36.839 35.975 -9.278 1.00 0.00 WAT +ATOM 29614 H2 TIP3 7768 -37.111 37.442 -9.045 1.00 0.00 WAT +ATOM 29615 OH2 TIP3 7769 -36.563 35.096 -11.116 1.00 0.00 WAT +ATOM 29616 H1 TIP3 7769 -36.051 35.631 -11.753 1.00 0.00 WAT +ATOM 29617 H2 TIP3 7769 -37.476 35.141 -11.471 1.00 0.00 WAT +ATOM 29618 OH2 TIP3 7770 -35.056 40.668 -10.803 1.00 0.00 WAT +ATOM 29619 H1 TIP3 7770 -34.216 40.555 -11.278 1.00 0.00 WAT +ATOM 29620 H2 TIP3 7770 -35.414 41.477 -11.209 1.00 0.00 WAT +ATOM 29621 OH2 TIP3 7771 -30.430 38.489 -5.931 1.00 0.00 WAT +ATOM 29622 H1 TIP3 7771 -30.216 37.551 -5.809 1.00 0.00 WAT +ATOM 29623 H2 TIP3 7771 -29.544 38.880 -5.986 1.00 0.00 WAT +ATOM 29624 OH2 TIP3 7772 -29.474 41.362 -7.578 1.00 0.00 WAT +ATOM 29625 H1 TIP3 7772 -29.712 42.081 -8.207 1.00 0.00 WAT +ATOM 29626 H2 TIP3 7772 -28.559 41.189 -7.862 1.00 0.00 WAT +ATOM 29627 OH2 TIP3 7773 -38.785 38.531 -6.771 1.00 0.00 WAT +ATOM 29628 H1 TIP3 7773 -39.309 37.709 -6.784 1.00 0.00 WAT +ATOM 29629 H2 TIP3 7773 -37.973 38.260 -7.223 1.00 0.00 WAT +ATOM 29630 OH2 TIP3 7774 -35.852 32.425 -10.764 1.00 0.00 WAT +ATOM 29631 H1 TIP3 7774 -36.025 33.378 -10.928 1.00 0.00 WAT +ATOM 29632 H2 TIP3 7774 -36.562 32.013 -11.293 1.00 0.00 WAT +ATOM 29633 OH2 TIP3 7775 -34.570 37.001 -6.980 1.00 0.00 WAT +ATOM 29634 H1 TIP3 7775 -34.927 36.814 -6.094 1.00 0.00 WAT +ATOM 29635 H2 TIP3 7775 -35.370 36.815 -7.516 1.00 0.00 WAT +ATOM 29636 OH2 TIP3 7776 -32.053 36.060 -8.109 1.00 0.00 WAT +ATOM 29637 H1 TIP3 7776 -32.933 36.124 -7.691 1.00 0.00 WAT +ATOM 29638 H2 TIP3 7776 -31.598 35.429 -7.520 1.00 0.00 WAT +ATOM 29639 OH2 TIP3 7777 -30.187 34.530 -6.373 1.00 0.00 WAT +ATOM 29640 H1 TIP3 7777 -30.364 33.584 -6.210 1.00 0.00 WAT +ATOM 29641 H2 TIP3 7777 -30.384 34.948 -5.514 1.00 0.00 WAT +ATOM 29642 OH2 TIP3 7778 -40.131 35.974 -6.944 1.00 0.00 WAT +ATOM 29643 H1 TIP3 7778 -40.168 35.250 -7.588 1.00 0.00 WAT +ATOM 29644 H2 TIP3 7778 -40.326 35.515 -6.106 1.00 0.00 WAT +ATOM 29645 OH2 TIP3 7779 -36.009 31.923 -7.946 1.00 0.00 WAT +ATOM 29646 H1 TIP3 7779 -35.419 31.154 -7.898 1.00 0.00 WAT +ATOM 29647 H2 TIP3 7779 -36.044 32.073 -8.911 1.00 0.00 WAT +ATOM 29648 OH2 TIP3 7780 -35.063 33.778 -6.084 1.00 0.00 WAT +ATOM 29649 H1 TIP3 7780 -35.373 33.194 -6.806 1.00 0.00 WAT +ATOM 29650 H2 TIP3 7780 -35.743 34.469 -6.068 1.00 0.00 WAT +ATOM 29651 OH2 TIP3 7781 -25.701 43.578 -20.145 1.00 0.00 WAT +ATOM 29652 H1 TIP3 7781 -24.743 43.645 -20.248 1.00 0.00 WAT +ATOM 29653 H2 TIP3 7781 -25.822 42.774 -19.617 1.00 0.00 WAT +ATOM 29654 OH2 TIP3 7782 -25.315 41.332 -18.475 1.00 0.00 WAT +ATOM 29655 H1 TIP3 7782 -26.080 40.885 -18.063 1.00 0.00 WAT +ATOM 29656 H2 TIP3 7782 -24.728 41.511 -17.717 1.00 0.00 WAT +ATOM 29657 OH2 TIP3 7783 -25.140 40.927 -21.937 1.00 0.00 WAT +ATOM 29658 H1 TIP3 7783 -25.757 41.166 -22.654 1.00 0.00 WAT +ATOM 29659 H2 TIP3 7783 -25.256 41.675 -21.335 1.00 0.00 WAT +ATOM 29660 OH2 TIP3 7784 -26.866 38.433 -23.610 1.00 0.00 WAT +ATOM 29661 H1 TIP3 7784 -26.658 39.068 -24.311 1.00 0.00 WAT +ATOM 29662 H2 TIP3 7784 -27.095 37.624 -24.109 1.00 0.00 WAT +ATOM 29663 OH2 TIP3 7785 -27.579 39.656 -17.727 1.00 0.00 WAT +ATOM 29664 H1 TIP3 7785 -27.589 38.694 -17.855 1.00 0.00 WAT +ATOM 29665 H2 TIP3 7785 -27.932 39.739 -16.814 1.00 0.00 WAT +ATOM 29666 OH2 TIP3 7786 -42.467 42.140 -13.878 1.00 0.00 WAT +ATOM 29667 H1 TIP3 7786 -42.307 41.789 -14.758 1.00 0.00 WAT +ATOM 29668 H2 TIP3 7786 -41.779 41.696 -13.341 1.00 0.00 WAT +ATOM 29669 OH2 TIP3 7787 -26.723 41.606 -8.487 1.00 0.00 WAT +ATOM 29670 H1 TIP3 7787 -25.990 41.011 -8.230 1.00 0.00 WAT +ATOM 29671 H2 TIP3 7787 -26.289 42.433 -8.764 1.00 0.00 WAT +ATOM 29672 OH2 TIP3 7788 -25.289 39.648 -7.336 1.00 0.00 WAT +ATOM 29673 H1 TIP3 7788 -26.099 39.125 -7.518 1.00 0.00 WAT +ATOM 29674 H2 TIP3 7788 -24.607 38.954 -7.304 1.00 0.00 WAT +ATOM 29675 OH2 TIP3 7789 -27.405 35.789 -24.417 1.00 0.00 WAT +ATOM 29676 H1 TIP3 7789 -26.811 35.296 -23.823 1.00 0.00 WAT +ATOM 29677 H2 TIP3 7789 -28.199 35.237 -24.465 1.00 0.00 WAT +ATOM 29678 OH2 TIP3 7790 -27.585 37.059 -19.455 1.00 0.00 WAT +ATOM 29679 H1 TIP3 7790 -27.333 36.112 -19.410 1.00 0.00 WAT +ATOM 29680 H2 TIP3 7790 -26.785 37.431 -19.869 1.00 0.00 WAT +ATOM 29681 OH2 TIP3 7791 -27.365 37.655 -14.033 1.00 0.00 WAT +ATOM 29682 H1 TIP3 7791 -26.397 37.797 -14.059 1.00 0.00 WAT +ATOM 29683 H2 TIP3 7791 -27.518 37.722 -13.075 1.00 0.00 WAT +ATOM 29684 OH2 TIP3 7792 -27.195 38.373 -11.206 1.00 0.00 WAT +ATOM 29685 H1 TIP3 7792 -28.057 38.759 -10.963 1.00 0.00 WAT +ATOM 29686 H2 TIP3 7792 -26.684 39.174 -11.448 1.00 0.00 WAT +ATOM 29687 OH2 TIP3 7793 -42.886 37.034 -7.699 1.00 0.00 WAT +ATOM 29688 H1 TIP3 7793 -42.002 36.652 -7.586 1.00 0.00 WAT +ATOM 29689 H2 TIP3 7793 -43.486 36.336 -7.397 1.00 0.00 WAT +ATOM 29690 OH2 TIP3 7794 -24.632 32.525 -5.920 1.00 0.00 WAT +ATOM 29691 H1 TIP3 7794 -24.231 31.837 -6.483 1.00 0.00 WAT +ATOM 29692 H2 TIP3 7794 -24.616 33.304 -6.510 1.00 0.00 WAT +ATOM 29693 OH2 TIP3 7795 -27.125 34.272 -19.495 1.00 0.00 WAT +ATOM 29694 H1 TIP3 7795 -27.009 33.959 -18.581 1.00 0.00 WAT +ATOM 29695 H2 TIP3 7795 -27.924 33.778 -19.772 1.00 0.00 WAT +ATOM 29696 OH2 TIP3 7796 -41.939 35.563 -14.512 1.00 0.00 WAT +ATOM 29697 H1 TIP3 7796 -41.586 34.664 -14.447 1.00 0.00 WAT +ATOM 29698 H2 TIP3 7796 -41.171 36.105 -14.254 1.00 0.00 WAT +ATOM 29699 OH2 TIP3 7797 -43.268 38.153 -13.569 1.00 0.00 WAT +ATOM 29700 H1 TIP3 7797 -42.924 37.664 -14.329 1.00 0.00 WAT +ATOM 29701 H2 TIP3 7797 -43.081 39.064 -13.814 1.00 0.00 WAT +ATOM 29702 OH2 TIP3 7798 -25.262 34.571 -7.672 1.00 0.00 WAT +ATOM 29703 H1 TIP3 7798 -26.136 35.001 -7.622 1.00 0.00 WAT +ATOM 29704 H2 TIP3 7798 -25.388 34.030 -8.473 1.00 0.00 WAT +ATOM 29705 OH2 TIP3 7799 -25.173 34.755 -22.837 1.00 0.00 WAT +ATOM 29706 H1 TIP3 7799 -24.834 33.955 -23.271 1.00 0.00 WAT +ATOM 29707 H2 TIP3 7799 -24.362 35.278 -22.721 1.00 0.00 WAT +ATOM 29708 OH2 TIP3 7800 -43.150 34.284 -20.086 1.00 0.00 WAT +ATOM 29709 H1 TIP3 7800 -43.997 34.591 -20.440 1.00 0.00 WAT +ATOM 29710 H2 TIP3 7800 -42.559 35.000 -20.415 1.00 0.00 WAT +ATOM 29711 OH2 TIP3 7801 -42.921 33.208 -11.754 1.00 0.00 WAT +ATOM 29712 H1 TIP3 7801 -43.577 33.161 -11.019 1.00 0.00 WAT +ATOM 29713 H2 TIP3 7801 -43.336 33.789 -12.407 1.00 0.00 WAT +ATOM 29714 OH2 TIP3 7802 -26.393 32.809 -9.690 1.00 0.00 WAT +ATOM 29715 H1 TIP3 7802 -27.189 33.029 -10.204 1.00 0.00 WAT +ATOM 29716 H2 TIP3 7802 -26.185 31.913 -10.028 1.00 0.00 WAT +ATOM 29717 OH2 TIP3 7803 -32.962 34.293 -15.218 1.00 0.00 WAT +ATOM 29718 H1 TIP3 7803 -33.662 33.626 -15.083 1.00 0.00 WAT +ATOM 29719 H2 TIP3 7803 -32.374 33.840 -15.841 1.00 0.00 WAT +ATOM 29720 OH2 TIP3 7804 -28.018 32.290 -14.772 1.00 0.00 WAT +ATOM 29721 H1 TIP3 7804 -27.265 32.765 -15.165 1.00 0.00 WAT +ATOM 29722 H2 TIP3 7804 -28.765 32.616 -15.302 1.00 0.00 WAT +ATOM 29723 OH2 TIP3 7805 -25.937 33.406 -16.917 1.00 0.00 WAT +ATOM 29724 H1 TIP3 7805 -25.208 33.025 -17.436 1.00 0.00 WAT +ATOM 29725 H2 TIP3 7805 -25.623 34.327 -16.797 1.00 0.00 WAT +ATOM 29726 OH2 TIP3 7806 -41.071 32.877 -17.699 1.00 0.00 WAT +ATOM 29727 H1 TIP3 7806 -41.799 32.591 -18.264 1.00 0.00 WAT +ATOM 29728 H2 TIP3 7806 -40.451 32.132 -17.796 1.00 0.00 WAT +ATOM 29729 OH2 TIP3 7807 -41.825 32.486 -21.894 1.00 0.00 WAT +ATOM 29730 H1 TIP3 7807 -41.307 33.156 -22.383 1.00 0.00 WAT +ATOM 29731 H2 TIP3 7807 -42.331 33.051 -21.280 1.00 0.00 WAT +ATOM 29732 OH2 TIP3 7808 -36.151 32.828 -17.794 1.00 0.00 WAT +ATOM 29733 H1 TIP3 7808 -35.244 33.144 -17.937 1.00 0.00 WAT +ATOM 29734 H2 TIP3 7808 -36.173 32.756 -16.832 1.00 0.00 WAT +ATOM 29735 OH2 TIP3 7809 -30.540 32.875 -16.385 1.00 0.00 WAT +ATOM 29736 H1 TIP3 7809 -30.299 32.732 -17.310 1.00 0.00 WAT +ATOM 29737 H2 TIP3 7809 -30.944 32.020 -16.148 1.00 0.00 WAT +ATOM 29738 OH2 TIP3 7810 -29.446 32.877 -20.385 1.00 0.00 WAT +ATOM 29739 H1 TIP3 7810 -30.262 33.393 -20.533 1.00 0.00 WAT +ATOM 29740 H2 TIP3 7810 -29.805 31.979 -20.288 1.00 0.00 WAT +ATOM 29741 OH2 TIP3 7811 -40.056 34.371 -23.350 1.00 0.00 WAT +ATOM 29742 H1 TIP3 7811 -39.476 33.787 -23.868 1.00 0.00 WAT +ATOM 29743 H2 TIP3 7811 -39.441 34.665 -22.648 1.00 0.00 WAT +ATOM 29744 OH2 TIP3 7812 -35.000 34.511 -20.738 1.00 0.00 WAT +ATOM 29745 H1 TIP3 7812 -34.643 33.935 -20.045 1.00 0.00 WAT +ATOM 29746 H2 TIP3 7812 -34.781 35.381 -20.367 1.00 0.00 WAT +ATOM 29747 OH2 TIP3 7813 -40.790 33.269 -8.178 1.00 0.00 WAT +ATOM 29748 H1 TIP3 7813 -41.251 32.516 -7.772 1.00 0.00 WAT +ATOM 29749 H2 TIP3 7813 -39.880 33.121 -7.867 1.00 0.00 WAT +ATOM 29750 OH2 TIP3 7814 -38.437 32.642 -6.408 1.00 0.00 WAT +ATOM 29751 H1 TIP3 7814 -37.619 32.282 -6.806 1.00 0.00 WAT +ATOM 29752 H2 TIP3 7814 -38.788 31.854 -5.958 1.00 0.00 WAT +ATOM 29753 OH2 TIP3 7815 -30.311 31.727 -6.246 1.00 0.00 WAT +ATOM 29754 H1 TIP3 7815 -30.272 31.329 -5.356 1.00 0.00 WAT +ATOM 29755 H2 TIP3 7815 -29.371 31.714 -6.504 1.00 0.00 WAT +ATOM 29756 OH2 TIP3 7816 -12.720 42.035 -17.617 1.00 0.00 WAT +ATOM 29757 H1 TIP3 7816 -13.044 42.944 -17.593 1.00 0.00 WAT +ATOM 29758 H2 TIP3 7816 -13.458 41.594 -18.064 1.00 0.00 WAT +ATOM 29759 OH2 TIP3 7817 -13.914 41.322 -14.322 1.00 0.00 WAT +ATOM 29760 H1 TIP3 7817 -13.894 40.797 -13.507 1.00 0.00 WAT +ATOM 29761 H2 TIP3 7817 -14.180 40.671 -14.982 1.00 0.00 WAT +ATOM 29762 OH2 TIP3 7818 -21.491 40.824 -12.706 1.00 0.00 WAT +ATOM 29763 H1 TIP3 7818 -21.500 40.074 -12.086 1.00 0.00 WAT +ATOM 29764 H2 TIP3 7818 -20.736 41.326 -12.372 1.00 0.00 WAT +ATOM 29765 OH2 TIP3 7819 -23.790 38.848 -18.785 1.00 0.00 WAT +ATOM 29766 H1 TIP3 7819 -24.215 39.720 -18.716 1.00 0.00 WAT +ATOM 29767 H2 TIP3 7819 -24.482 38.329 -19.210 1.00 0.00 WAT +ATOM 29768 OH2 TIP3 7820 -22.845 41.350 -16.926 1.00 0.00 WAT +ATOM 29769 H1 TIP3 7820 -22.846 40.549 -16.367 1.00 0.00 WAT +ATOM 29770 H2 TIP3 7820 -22.040 41.195 -17.436 1.00 0.00 WAT +ATOM 29771 OH2 TIP3 7821 -6.693 35.188 -13.111 1.00 0.00 WAT +ATOM 29772 H1 TIP3 7821 -6.518 35.856 -12.428 1.00 0.00 WAT +ATOM 29773 H2 TIP3 7821 -6.149 35.533 -13.843 1.00 0.00 WAT +ATOM 29774 OH2 TIP3 7822 -12.083 38.044 -13.262 1.00 0.00 WAT +ATOM 29775 H1 TIP3 7822 -11.971 37.080 -13.236 1.00 0.00 WAT +ATOM 29776 H2 TIP3 7822 -12.217 38.196 -14.210 1.00 0.00 WAT +ATOM 29777 OH2 TIP3 7823 -19.156 36.052 -16.178 1.00 0.00 WAT +ATOM 29778 H1 TIP3 7823 -18.976 36.894 -16.642 1.00 0.00 WAT +ATOM 29779 H2 TIP3 7823 -19.452 35.510 -16.935 1.00 0.00 WAT +ATOM 29780 OH2 TIP3 7824 -11.255 36.284 -17.812 1.00 0.00 WAT +ATOM 29781 H1 TIP3 7824 -10.659 35.814 -17.193 1.00 0.00 WAT +ATOM 29782 H2 TIP3 7824 -10.620 36.664 -18.434 1.00 0.00 WAT +ATOM 29783 OH2 TIP3 7825 -22.475 38.757 -15.678 1.00 0.00 WAT +ATOM 29784 H1 TIP3 7825 -21.817 38.311 -15.121 1.00 0.00 WAT +ATOM 29785 H2 TIP3 7825 -22.351 38.289 -16.525 1.00 0.00 WAT +ATOM 29786 OH2 TIP3 7826 -17.048 40.185 -16.187 1.00 0.00 WAT +ATOM 29787 H1 TIP3 7826 -16.359 39.601 -15.812 1.00 0.00 WAT +ATOM 29788 H2 TIP3 7826 -17.574 39.547 -16.708 1.00 0.00 WAT +ATOM 29789 OH2 TIP3 7827 -6.002 36.594 -10.638 1.00 0.00 WAT +ATOM 29790 H1 TIP3 7827 -6.578 37.317 -10.949 1.00 0.00 WAT +ATOM 29791 H2 TIP3 7827 -6.244 36.570 -9.702 1.00 0.00 WAT +ATOM 29792 OH2 TIP3 7828 -20.356 34.832 -12.010 1.00 0.00 WAT +ATOM 29793 H1 TIP3 7828 -20.736 35.327 -12.752 1.00 0.00 WAT +ATOM 29794 H2 TIP3 7828 -21.011 35.016 -11.309 1.00 0.00 WAT +ATOM 29795 OH2 TIP3 7829 -17.614 42.663 -12.252 1.00 0.00 WAT +ATOM 29796 H1 TIP3 7829 -18.419 43.201 -12.200 1.00 0.00 WAT +ATOM 29797 H2 TIP3 7829 -16.954 43.367 -12.329 1.00 0.00 WAT +ATOM 29798 OH2 TIP3 7830 -9.379 35.430 -15.828 1.00 0.00 WAT +ATOM 29799 H1 TIP3 7830 -9.876 34.883 -15.205 1.00 0.00 WAT +ATOM 29800 H2 TIP3 7830 -8.954 36.077 -15.238 1.00 0.00 WAT +ATOM 29801 OH2 TIP3 7831 -20.735 36.883 -14.084 1.00 0.00 WAT +ATOM 29802 H1 TIP3 7831 -20.086 37.456 -13.625 1.00 0.00 WAT +ATOM 29803 H2 TIP3 7831 -20.170 36.530 -14.810 1.00 0.00 WAT +ATOM 29804 OH2 TIP3 7832 -9.311 34.615 -11.984 1.00 0.00 WAT +ATOM 29805 H1 TIP3 7832 -10.091 35.001 -12.428 1.00 0.00 WAT +ATOM 29806 H2 TIP3 7832 -8.604 34.799 -12.630 1.00 0.00 WAT +ATOM 29807 OH2 TIP3 7833 -16.205 32.310 -14.913 1.00 0.00 WAT +ATOM 29808 H1 TIP3 7833 -16.458 31.372 -14.978 1.00 0.00 WAT +ATOM 29809 H2 TIP3 7833 -17.036 32.713 -14.580 1.00 0.00 WAT +ATOM 29810 OH2 TIP3 7834 -14.211 41.444 -20.184 1.00 0.00 WAT +ATOM 29811 H1 TIP3 7834 -14.865 41.760 -20.820 1.00 0.00 WAT +ATOM 29812 H2 TIP3 7834 -13.439 41.319 -20.765 1.00 0.00 WAT +ATOM 29813 OH2 TIP3 7835 -13.827 39.475 -23.050 1.00 0.00 WAT +ATOM 29814 H1 TIP3 7835 -13.090 39.794 -22.500 1.00 0.00 WAT +ATOM 29815 H2 TIP3 7835 -13.359 38.902 -23.672 1.00 0.00 WAT +ATOM 29816 OH2 TIP3 7836 -6.688 40.552 -11.963 1.00 0.00 WAT +ATOM 29817 H1 TIP3 7836 -7.355 41.262 -11.836 1.00 0.00 WAT +ATOM 29818 H2 TIP3 7836 -6.184 40.949 -12.704 1.00 0.00 WAT +ATOM 29819 OH2 TIP3 7837 -10.486 41.420 -19.186 1.00 0.00 WAT +ATOM 29820 H1 TIP3 7837 -11.165 41.624 -18.511 1.00 0.00 WAT +ATOM 29821 H2 TIP3 7837 -9.850 40.887 -18.675 1.00 0.00 WAT +ATOM 29822 OH2 TIP3 7838 -10.772 39.805 -10.261 1.00 0.00 WAT +ATOM 29823 H1 TIP3 7838 -10.746 40.583 -9.682 1.00 0.00 WAT +ATOM 29824 H2 TIP3 7838 -11.330 40.162 -10.977 1.00 0.00 WAT +ATOM 29825 OH2 TIP3 7839 -18.999 42.057 -17.246 1.00 0.00 WAT +ATOM 29826 H1 TIP3 7839 -19.197 41.790 -18.164 1.00 0.00 WAT +ATOM 29827 H2 TIP3 7839 -18.199 41.538 -17.057 1.00 0.00 WAT +ATOM 29828 OH2 TIP3 7840 -18.467 40.686 -13.843 1.00 0.00 WAT +ATOM 29829 H1 TIP3 7840 -17.884 40.716 -14.629 1.00 0.00 WAT +ATOM 29830 H2 TIP3 7840 -18.118 41.422 -13.297 1.00 0.00 WAT +ATOM 29831 OH2 TIP3 7841 -11.694 40.744 -21.549 1.00 0.00 WAT +ATOM 29832 H1 TIP3 7841 -11.120 41.011 -20.796 1.00 0.00 WAT +ATOM 29833 H2 TIP3 7841 -11.231 41.197 -22.300 1.00 0.00 WAT +ATOM 29834 OH2 TIP3 7842 -20.581 41.464 -9.979 1.00 0.00 WAT +ATOM 29835 H1 TIP3 7842 -20.469 42.107 -9.240 1.00 0.00 WAT +ATOM 29836 H2 TIP3 7842 -21.552 41.390 -10.000 1.00 0.00 WAT +ATOM 29837 OH2 TIP3 7843 -8.167 32.443 -22.092 1.00 0.00 WAT +ATOM 29838 H1 TIP3 7843 -9.080 32.533 -21.753 1.00 0.00 WAT +ATOM 29839 H2 TIP3 7843 -7.855 33.361 -22.051 1.00 0.00 WAT +ATOM 29840 OH2 TIP3 7844 -20.156 40.919 -19.703 1.00 0.00 WAT +ATOM 29841 H1 TIP3 7844 -20.269 41.668 -20.323 1.00 0.00 WAT +ATOM 29842 H2 TIP3 7844 -20.686 40.226 -20.114 1.00 0.00 WAT +ATOM 29843 OH2 TIP3 7845 -24.181 43.076 -10.960 1.00 0.00 WAT +ATOM 29844 H1 TIP3 7845 -24.119 42.933 -11.918 1.00 0.00 WAT +ATOM 29845 H2 TIP3 7845 -23.804 42.248 -10.604 1.00 0.00 WAT +ATOM 29846 OH2 TIP3 7846 -8.788 38.376 -7.928 1.00 0.00 WAT +ATOM 29847 H1 TIP3 7846 -9.298 38.757 -8.657 1.00 0.00 WAT +ATOM 29848 H2 TIP3 7846 -8.738 37.440 -8.200 1.00 0.00 WAT +ATOM 29849 OH2 TIP3 7847 -18.621 33.445 -13.985 1.00 0.00 WAT +ATOM 29850 H1 TIP3 7847 -19.394 33.424 -14.576 1.00 0.00 WAT +ATOM 29851 H2 TIP3 7847 -18.827 34.237 -13.466 1.00 0.00 WAT +ATOM 29852 OH2 TIP3 7848 -14.248 33.063 -10.385 1.00 0.00 WAT +ATOM 29853 H1 TIP3 7848 -13.725 32.537 -9.750 1.00 0.00 WAT +ATOM 29854 H2 TIP3 7848 -15.154 32.724 -10.264 1.00 0.00 WAT +ATOM 29855 OH2 TIP3 7849 -11.064 36.854 -9.846 1.00 0.00 WAT +ATOM 29856 H1 TIP3 7849 -11.701 36.706 -9.123 1.00 0.00 WAT +ATOM 29857 H2 TIP3 7849 -11.167 37.802 -10.044 1.00 0.00 WAT +ATOM 29858 OH2 TIP3 7850 -10.294 41.758 -23.611 1.00 0.00 WAT +ATOM 29859 H1 TIP3 7850 -10.368 41.587 -24.567 1.00 0.00 WAT +ATOM 29860 H2 TIP3 7850 -9.404 42.154 -23.553 1.00 0.00 WAT +ATOM 29861 OH2 TIP3 7851 -14.500 35.642 -23.091 1.00 0.00 WAT +ATOM 29862 H1 TIP3 7851 -14.972 35.561 -22.247 1.00 0.00 WAT +ATOM 29863 H2 TIP3 7851 -14.908 34.908 -23.589 1.00 0.00 WAT +ATOM 29864 OH2 TIP3 7852 -18.755 38.242 -12.591 1.00 0.00 WAT +ATOM 29865 H1 TIP3 7852 -19.371 38.389 -11.855 1.00 0.00 WAT +ATOM 29866 H2 TIP3 7852 -18.666 39.143 -12.976 1.00 0.00 WAT +ATOM 29867 OH2 TIP3 7853 -18.816 38.357 -17.734 1.00 0.00 WAT +ATOM 29868 H1 TIP3 7853 -19.763 38.251 -17.932 1.00 0.00 WAT +ATOM 29869 H2 TIP3 7853 -18.432 38.175 -18.622 1.00 0.00 WAT +ATOM 29870 OH2 TIP3 7854 -13.265 38.950 -18.936 1.00 0.00 WAT +ATOM 29871 H1 TIP3 7854 -13.756 39.679 -19.356 1.00 0.00 WAT +ATOM 29872 H2 TIP3 7854 -12.620 38.717 -19.625 1.00 0.00 WAT +ATOM 29873 OH2 TIP3 7855 -14.013 39.212 -7.520 1.00 0.00 WAT +ATOM 29874 H1 TIP3 7855 -14.515 38.432 -7.211 1.00 0.00 WAT +ATOM 29875 H2 TIP3 7855 -13.124 39.039 -7.156 1.00 0.00 WAT +ATOM 29876 OH2 TIP3 7856 -12.362 38.336 -16.219 1.00 0.00 WAT +ATOM 29877 H1 TIP3 7856 -12.684 38.853 -16.983 1.00 0.00 WAT +ATOM 29878 H2 TIP3 7856 -12.131 37.506 -16.688 1.00 0.00 WAT +ATOM 29879 OH2 TIP3 7857 -21.379 38.411 -10.830 1.00 0.00 WAT +ATOM 29880 H1 TIP3 7857 -21.154 38.795 -9.975 1.00 0.00 WAT +ATOM 29881 H2 TIP3 7857 -21.730 37.540 -10.574 1.00 0.00 WAT +ATOM 29882 OH2 TIP3 7858 -18.042 36.139 -24.219 1.00 0.00 WAT +ATOM 29883 H1 TIP3 7858 -18.337 35.732 -23.378 1.00 0.00 WAT +ATOM 29884 H2 TIP3 7858 -18.830 36.089 -24.770 1.00 0.00 WAT +ATOM 29885 OH2 TIP3 7859 -24.591 35.864 -17.137 1.00 0.00 WAT +ATOM 29886 H1 TIP3 7859 -23.971 35.899 -16.385 1.00 0.00 WAT +ATOM 29887 H2 TIP3 7859 -24.039 35.532 -17.860 1.00 0.00 WAT +ATOM 29888 OH2 TIP3 7860 -23.007 36.330 -21.423 1.00 0.00 WAT +ATOM 29889 H1 TIP3 7860 -22.430 36.791 -22.067 1.00 0.00 WAT +ATOM 29890 H2 TIP3 7860 -23.690 37.005 -21.271 1.00 0.00 WAT +ATOM 29891 OH2 TIP3 7861 -13.384 39.966 -11.751 1.00 0.00 WAT +ATOM 29892 H1 TIP3 7861 -12.850 39.306 -12.246 1.00 0.00 WAT +ATOM 29893 H2 TIP3 7861 -13.661 39.445 -10.984 1.00 0.00 WAT +ATOM 29894 OH2 TIP3 7862 -16.023 35.926 -16.698 1.00 0.00 WAT +ATOM 29895 H1 TIP3 7862 -16.974 35.853 -16.521 1.00 0.00 WAT +ATOM 29896 H2 TIP3 7862 -15.640 35.734 -15.829 1.00 0.00 WAT +ATOM 29897 OH2 TIP3 7863 -21.524 37.135 -18.009 1.00 0.00 WAT +ATOM 29898 H1 TIP3 7863 -22.282 37.424 -18.544 1.00 0.00 WAT +ATOM 29899 H2 TIP3 7863 -21.164 36.379 -18.511 1.00 0.00 WAT +ATOM 29900 OH2 TIP3 7864 -17.849 37.659 -20.268 1.00 0.00 WAT +ATOM 29901 H1 TIP3 7864 -16.901 37.416 -20.294 1.00 0.00 WAT +ATOM 29902 H2 TIP3 7864 -17.986 38.140 -21.097 1.00 0.00 WAT +ATOM 29903 OH2 TIP3 7865 -11.631 35.076 -13.683 1.00 0.00 WAT +ATOM 29904 H1 TIP3 7865 -12.290 35.097 -12.956 1.00 0.00 WAT +ATOM 29905 H2 TIP3 7865 -12.198 34.714 -14.390 1.00 0.00 WAT +ATOM 29906 OH2 TIP3 7866 -19.446 38.813 -22.593 1.00 0.00 WAT +ATOM 29907 H1 TIP3 7866 -19.961 38.399 -23.300 1.00 0.00 WAT +ATOM 29908 H2 TIP3 7866 -18.597 38.961 -23.044 1.00 0.00 WAT +ATOM 29909 OH2 TIP3 7867 -20.472 43.159 -7.919 1.00 0.00 WAT +ATOM 29910 H1 TIP3 7867 -19.905 43.646 -7.286 1.00 0.00 WAT +ATOM 29911 H2 TIP3 7867 -21.279 43.046 -7.372 1.00 0.00 WAT +ATOM 29912 OH2 TIP3 7868 -15.030 38.511 -14.859 1.00 0.00 WAT +ATOM 29913 H1 TIP3 7868 -14.359 38.055 -15.390 1.00 0.00 WAT +ATOM 29914 H2 TIP3 7868 -15.169 37.879 -14.128 1.00 0.00 WAT +ATOM 29915 OH2 TIP3 7869 -19.710 34.914 -18.756 1.00 0.00 WAT +ATOM 29916 H1 TIP3 7869 -20.172 34.078 -18.606 1.00 0.00 WAT +ATOM 29917 H2 TIP3 7869 -18.874 34.604 -19.149 1.00 0.00 WAT +ATOM 29918 OH2 TIP3 7870 -16.078 36.919 -12.634 1.00 0.00 WAT +ATOM 29919 H1 TIP3 7870 -16.838 37.525 -12.648 1.00 0.00 WAT +ATOM 29920 H2 TIP3 7870 -15.572 37.214 -11.853 1.00 0.00 WAT +ATOM 29921 OH2 TIP3 7871 -16.365 43.652 -20.498 1.00 0.00 WAT +ATOM 29922 H1 TIP3 7871 -16.737 42.998 -21.119 1.00 0.00 WAT +ATOM 29923 H2 TIP3 7871 -15.820 43.142 -19.894 1.00 0.00 WAT +ATOM 29924 OH2 TIP3 7872 -8.439 42.659 -12.078 1.00 0.00 WAT +ATOM 29925 H1 TIP3 7872 -8.206 43.118 -12.907 1.00 0.00 WAT +ATOM 29926 H2 TIP3 7872 -9.395 42.556 -12.245 1.00 0.00 WAT +ATOM 29927 OH2 TIP3 7873 -11.807 36.236 -23.060 1.00 0.00 WAT +ATOM 29928 H1 TIP3 7873 -12.786 36.128 -23.023 1.00 0.00 WAT +ATOM 29929 H2 TIP3 7873 -11.627 36.869 -22.337 1.00 0.00 WAT +ATOM 29930 OH2 TIP3 7874 -11.108 37.976 -20.895 1.00 0.00 WAT +ATOM 29931 H1 TIP3 7874 -10.227 37.809 -20.507 1.00 0.00 WAT +ATOM 29932 H2 TIP3 7874 -10.989 38.843 -21.319 1.00 0.00 WAT +ATOM 29933 OH2 TIP3 7875 -20.514 42.484 -15.046 1.00 0.00 WAT +ATOM 29934 H1 TIP3 7875 -19.914 42.400 -15.821 1.00 0.00 WAT +ATOM 29935 H2 TIP3 7875 -20.384 41.624 -14.618 1.00 0.00 WAT +ATOM 29936 OH2 TIP3 7876 -23.437 40.793 -9.702 1.00 0.00 WAT +ATOM 29937 H1 TIP3 7876 -23.358 40.423 -8.802 1.00 0.00 WAT +ATOM 29938 H2 TIP3 7876 -24.195 40.313 -10.074 1.00 0.00 WAT +ATOM 29939 OH2 TIP3 7877 -16.565 40.483 -7.654 1.00 0.00 WAT +ATOM 29940 H1 TIP3 7877 -16.902 40.283 -8.543 1.00 0.00 WAT +ATOM 29941 H2 TIP3 7877 -15.618 40.277 -7.760 1.00 0.00 WAT +ATOM 29942 OH2 TIP3 7878 -6.493 37.967 -21.191 1.00 0.00 WAT +ATOM 29943 H1 TIP3 7878 -7.053 37.786 -21.973 1.00 0.00 WAT +ATOM 29944 H2 TIP3 7878 -6.368 38.926 -21.323 1.00 0.00 WAT +ATOM 29945 OH2 TIP3 7879 -11.033 41.807 -13.401 1.00 0.00 WAT +ATOM 29946 H1 TIP3 7879 -11.948 41.818 -13.727 1.00 0.00 WAT +ATOM 29947 H2 TIP3 7879 -10.561 41.340 -14.106 1.00 0.00 WAT +ATOM 29948 OH2 TIP3 7880 -22.495 40.957 -23.151 1.00 0.00 WAT +ATOM 29949 H1 TIP3 7880 -21.880 41.530 -22.666 1.00 0.00 WAT +ATOM 29950 H2 TIP3 7880 -23.334 41.134 -22.679 1.00 0.00 WAT +ATOM 29951 OH2 TIP3 7881 -22.224 35.658 -10.014 1.00 0.00 WAT +ATOM 29952 H1 TIP3 7881 -23.125 35.904 -10.302 1.00 0.00 WAT +ATOM 29953 H2 TIP3 7881 -22.369 34.771 -9.641 1.00 0.00 WAT +ATOM 29954 OH2 TIP3 7882 -20.720 -43.870 -21.311 1.00 0.00 WAT +ATOM 29955 H1 TIP3 7882 -21.618 -43.522 -21.141 1.00 0.00 WAT +ATOM 29956 H2 TIP3 7882 -20.248 -43.054 -21.530 1.00 0.00 WAT +ATOM 29957 OH2 TIP3 7883 -13.240 35.505 -11.488 1.00 0.00 WAT +ATOM 29958 H1 TIP3 7883 -12.625 35.750 -10.783 1.00 0.00 WAT +ATOM 29959 H2 TIP3 7883 -13.740 34.763 -11.095 1.00 0.00 WAT +ATOM 29960 OH2 TIP3 7884 -12.371 34.854 -20.299 1.00 0.00 WAT +ATOM 29961 H1 TIP3 7884 -12.499 35.509 -20.995 1.00 0.00 WAT +ATOM 29962 H2 TIP3 7884 -12.288 35.398 -19.501 1.00 0.00 WAT +ATOM 29963 OH2 TIP3 7885 -15.215 36.907 -19.494 1.00 0.00 WAT +ATOM 29964 H1 TIP3 7885 -14.446 37.426 -19.213 1.00 0.00 WAT +ATOM 29965 H2 TIP3 7885 -15.519 36.517 -18.659 1.00 0.00 WAT +ATOM 29966 OH2 TIP3 7886 -14.812 37.911 -10.112 1.00 0.00 WAT +ATOM 29967 H1 TIP3 7886 -14.746 38.405 -9.279 1.00 0.00 WAT +ATOM 29968 H2 TIP3 7886 -14.309 37.111 -9.910 1.00 0.00 WAT +ATOM 29969 OH2 TIP3 7887 -14.053 33.949 -17.895 1.00 0.00 WAT +ATOM 29970 H1 TIP3 7887 -14.856 34.481 -17.802 1.00 0.00 WAT +ATOM 29971 H2 TIP3 7887 -13.959 33.936 -18.863 1.00 0.00 WAT +ATOM 29972 OH2 TIP3 7888 -18.857 35.020 -21.859 1.00 0.00 WAT +ATOM 29973 H1 TIP3 7888 -18.786 35.729 -21.201 1.00 0.00 WAT +ATOM 29974 H2 TIP3 7888 -18.132 34.425 -21.533 1.00 0.00 WAT +ATOM 29975 OH2 TIP3 7889 -8.548 35.832 -9.249 1.00 0.00 WAT +ATOM 29976 H1 TIP3 7889 -9.507 35.978 -9.387 1.00 0.00 WAT +ATOM 29977 H2 TIP3 7889 -8.306 35.625 -10.163 1.00 0.00 WAT +ATOM 29978 OH2 TIP3 7890 -10.011 39.668 -15.298 1.00 0.00 WAT +ATOM 29979 H1 TIP3 7890 -10.865 39.247 -15.507 1.00 0.00 WAT +ATOM 29980 H2 TIP3 7890 -9.567 38.978 -14.764 1.00 0.00 WAT +ATOM 29981 OH2 TIP3 7891 -22.357 37.994 -23.605 1.00 0.00 WAT +ATOM 29982 H1 TIP3 7891 -22.184 38.936 -23.444 1.00 0.00 WAT +ATOM 29983 H2 TIP3 7891 -23.200 38.017 -24.071 1.00 0.00 WAT +ATOM 29984 OH2 TIP3 7892 -21.431 33.049 -14.836 1.00 0.00 WAT +ATOM 29985 H1 TIP3 7892 -21.574 33.042 -15.808 1.00 0.00 WAT +ATOM 29986 H2 TIP3 7892 -21.763 32.176 -14.567 1.00 0.00 WAT +ATOM 29987 OH2 TIP3 7893 -22.917 43.063 -6.789 1.00 0.00 WAT +ATOM 29988 H1 TIP3 7893 -23.145 42.117 -6.776 1.00 0.00 WAT +ATOM 29989 H2 TIP3 7893 -23.724 43.508 -7.066 1.00 0.00 WAT +ATOM 29990 OH2 TIP3 7894 -17.020 43.285 -7.265 1.00 0.00 WAT +ATOM 29991 H1 TIP3 7894 -17.005 43.465 -8.227 1.00 0.00 WAT +ATOM 29992 H2 TIP3 7894 -16.663 42.376 -7.232 1.00 0.00 WAT +ATOM 29993 OH2 TIP3 7895 -10.988 -43.758 -9.519 1.00 0.00 WAT +ATOM 29994 H1 TIP3 7895 -10.204 -43.303 -9.859 1.00 0.00 WAT +ATOM 29995 H2 TIP3 7895 -11.681 -43.118 -9.724 1.00 0.00 WAT +ATOM 29996 OH2 TIP3 7896 -22.346 40.227 -7.070 1.00 0.00 WAT +ATOM 29997 H1 TIP3 7896 -21.556 39.664 -7.141 1.00 0.00 WAT +ATOM 29998 H2 TIP3 7896 -22.325 40.455 -6.123 1.00 0.00 WAT +ATOM 29999 OH2 TIP3 7897 -17.767 41.615 -21.986 1.00 0.00 WAT +ATOM 30000 H1 TIP3 7897 -18.404 41.166 -21.418 1.00 0.00 WAT +ATOM 30001 H2 TIP3 7897 -17.601 40.939 -22.673 1.00 0.00 WAT +ATOM 30002 OH2 TIP3 7898 -18.615 39.333 -9.664 1.00 0.00 WAT +ATOM 30003 H1 TIP3 7898 -19.184 40.111 -9.514 1.00 0.00 WAT +ATOM 30004 H2 TIP3 7898 -17.985 39.681 -10.319 1.00 0.00 WAT +ATOM 30005 OH2 TIP3 7899 -16.926 39.590 -23.720 1.00 0.00 WAT +ATOM 30006 H1 TIP3 7899 -16.950 39.700 -24.688 1.00 0.00 WAT +ATOM 30007 H2 TIP3 7899 -15.966 39.551 -23.555 1.00 0.00 WAT +ATOM 30008 OH2 TIP3 7900 -13.322 42.151 -6.101 1.00 0.00 WAT +ATOM 30009 H1 TIP3 7900 -12.460 41.969 -6.491 1.00 0.00 WAT +ATOM 30010 H2 TIP3 7900 -13.662 41.274 -5.910 1.00 0.00 WAT +ATOM 30011 OH2 TIP3 7901 -7.604 41.894 -24.508 1.00 0.00 WAT +ATOM 30012 H1 TIP3 7901 -7.740 41.839 -25.468 1.00 0.00 WAT +ATOM 30013 H2 TIP3 7901 -7.609 42.855 -24.325 1.00 0.00 WAT +ATOM 30014 OH2 TIP3 7902 -18.046 36.629 -8.563 1.00 0.00 WAT +ATOM 30015 H1 TIP3 7902 -17.975 35.980 -9.286 1.00 0.00 WAT +ATOM 30016 H2 TIP3 7902 -18.244 37.446 -9.054 1.00 0.00 WAT +ATOM 30017 OH2 TIP3 7903 -17.709 35.096 -11.116 1.00 0.00 WAT +ATOM 30018 H1 TIP3 7903 -17.182 35.630 -11.744 1.00 0.00 WAT +ATOM 30019 H2 TIP3 7903 -18.614 35.149 -11.484 1.00 0.00 WAT +ATOM 30020 OH2 TIP3 7904 -16.209 40.668 -10.795 1.00 0.00 WAT +ATOM 30021 H1 TIP3 7904 -15.370 40.552 -11.272 1.00 0.00 WAT +ATOM 30022 H2 TIP3 7904 -16.565 41.476 -11.203 1.00 0.00 WAT +ATOM 30023 OH2 TIP3 7905 -11.571 38.488 -5.926 1.00 0.00 WAT +ATOM 30024 H1 TIP3 7905 -11.360 37.549 -5.813 1.00 0.00 WAT +ATOM 30025 H2 TIP3 7905 -10.685 38.878 -5.980 1.00 0.00 WAT +ATOM 30026 OH2 TIP3 7906 -10.626 41.369 -7.571 1.00 0.00 WAT +ATOM 30027 H1 TIP3 7906 -10.858 42.086 -8.205 1.00 0.00 WAT +ATOM 30028 H2 TIP3 7906 -9.724 41.165 -7.870 1.00 0.00 WAT +ATOM 30029 OH2 TIP3 7907 -19.894 38.504 -6.749 1.00 0.00 WAT +ATOM 30030 H1 TIP3 7907 -20.387 37.663 -6.781 1.00 0.00 WAT +ATOM 30031 H2 TIP3 7907 -19.072 38.265 -7.207 1.00 0.00 WAT +ATOM 30032 OH2 TIP3 7908 -17.005 32.430 -10.741 1.00 0.00 WAT +ATOM 30033 H1 TIP3 7908 -17.149 33.385 -10.920 1.00 0.00 WAT +ATOM 30034 H2 TIP3 7908 -17.693 32.032 -11.306 1.00 0.00 WAT +ATOM 30035 OH2 TIP3 7909 -15.713 36.998 -6.979 1.00 0.00 WAT +ATOM 30036 H1 TIP3 7909 -16.070 36.801 -6.095 1.00 0.00 WAT +ATOM 30037 H2 TIP3 7909 -16.512 36.816 -7.518 1.00 0.00 WAT +ATOM 30038 OH2 TIP3 7910 -13.188 36.065 -8.103 1.00 0.00 WAT +ATOM 30039 H1 TIP3 7910 -14.072 36.124 -7.693 1.00 0.00 WAT +ATOM 30040 H2 TIP3 7910 -12.739 35.427 -7.518 1.00 0.00 WAT +ATOM 30041 OH2 TIP3 7911 -11.328 34.525 -6.366 1.00 0.00 WAT +ATOM 30042 H1 TIP3 7911 -11.519 33.581 -6.208 1.00 0.00 WAT +ATOM 30043 H2 TIP3 7911 -11.531 34.942 -5.509 1.00 0.00 WAT +ATOM 30044 OH2 TIP3 7912 -21.165 35.943 -6.919 1.00 0.00 WAT +ATOM 30045 H1 TIP3 7912 -21.248 35.258 -7.601 1.00 0.00 WAT +ATOM 30046 H2 TIP3 7912 -21.406 35.454 -6.111 1.00 0.00 WAT +ATOM 30047 OH2 TIP3 7913 -17.174 31.907 -7.940 1.00 0.00 WAT +ATOM 30048 H1 TIP3 7913 -16.541 31.174 -7.890 1.00 0.00 WAT +ATOM 30049 H2 TIP3 7913 -17.187 32.078 -8.904 1.00 0.00 WAT +ATOM 30050 OH2 TIP3 7914 -16.233 33.771 -6.061 1.00 0.00 WAT +ATOM 30051 H1 TIP3 7914 -16.527 33.190 -6.790 1.00 0.00 WAT +ATOM 30052 H2 TIP3 7914 -16.902 34.472 -6.063 1.00 0.00 WAT +ATOM 30053 OH2 TIP3 7915 -6.819 43.610 -20.124 1.00 0.00 WAT +ATOM 30054 H1 TIP3 7915 -5.862 43.603 -20.248 1.00 0.00 WAT +ATOM 30055 H2 TIP3 7915 -6.994 42.791 -19.635 1.00 0.00 WAT +ATOM 30056 OH2 TIP3 7916 -6.452 41.317 -18.477 1.00 0.00 WAT +ATOM 30057 H1 TIP3 7916 -7.233 40.883 -18.077 1.00 0.00 WAT +ATOM 30058 H2 TIP3 7916 -5.895 41.519 -17.704 1.00 0.00 WAT +ATOM 30059 OH2 TIP3 7917 -6.260 40.941 -21.953 1.00 0.00 WAT +ATOM 30060 H1 TIP3 7917 -6.896 41.157 -22.661 1.00 0.00 WAT +ATOM 30061 H2 TIP3 7917 -6.417 41.666 -21.335 1.00 0.00 WAT +ATOM 30062 OH2 TIP3 7918 -7.978 38.422 -23.612 1.00 0.00 WAT +ATOM 30063 H1 TIP3 7918 -7.809 39.061 -24.318 1.00 0.00 WAT +ATOM 30064 H2 TIP3 7918 -8.244 37.621 -24.105 1.00 0.00 WAT +ATOM 30065 OH2 TIP3 7919 -8.699 39.654 -17.719 1.00 0.00 WAT +ATOM 30066 H1 TIP3 7919 -8.753 38.696 -17.868 1.00 0.00 WAT +ATOM 30067 H2 TIP3 7919 -9.077 39.733 -16.815 1.00 0.00 WAT +ATOM 30068 OH2 TIP3 7920 -23.852 41.873 -13.743 1.00 0.00 WAT +ATOM 30069 H1 TIP3 7920 -23.755 42.032 -14.694 1.00 0.00 WAT +ATOM 30070 H2 TIP3 7920 -22.944 41.604 -13.489 1.00 0.00 WAT +ATOM 30071 OH2 TIP3 7921 -7.841 41.588 -8.562 1.00 0.00 WAT +ATOM 30072 H1 TIP3 7921 -7.122 41.014 -8.230 1.00 0.00 WAT +ATOM 30073 H2 TIP3 7921 -7.420 42.449 -8.742 1.00 0.00 WAT +ATOM 30074 OH2 TIP3 7922 -6.444 39.656 -7.321 1.00 0.00 WAT +ATOM 30075 H1 TIP3 7922 -7.248 39.129 -7.518 1.00 0.00 WAT +ATOM 30076 H2 TIP3 7922 -5.755 38.968 -7.301 1.00 0.00 WAT +ATOM 30077 OH2 TIP3 7923 -8.537 35.774 -24.440 1.00 0.00 WAT +ATOM 30078 H1 TIP3 7923 -8.002 35.281 -23.794 1.00 0.00 WAT +ATOM 30079 H2 TIP3 7923 -9.365 35.270 -24.491 1.00 0.00 WAT +ATOM 30080 OH2 TIP3 7924 -8.719 37.064 -19.456 1.00 0.00 WAT +ATOM 30081 H1 TIP3 7924 -8.492 36.111 -19.417 1.00 0.00 WAT +ATOM 30082 H2 TIP3 7924 -7.917 37.418 -19.878 1.00 0.00 WAT +ATOM 30083 OH2 TIP3 7925 -8.505 37.637 -14.028 1.00 0.00 WAT +ATOM 30084 H1 TIP3 7925 -7.542 37.804 -14.045 1.00 0.00 WAT +ATOM 30085 H2 TIP3 7925 -8.676 37.717 -13.074 1.00 0.00 WAT +ATOM 30086 OH2 TIP3 7926 -8.332 38.371 -11.211 1.00 0.00 WAT +ATOM 30087 H1 TIP3 7926 -9.199 38.741 -10.963 1.00 0.00 WAT +ATOM 30088 H2 TIP3 7926 -7.833 39.181 -11.442 1.00 0.00 WAT +ATOM 30089 OH2 TIP3 7927 -23.867 37.158 -7.519 1.00 0.00 WAT +ATOM 30090 H1 TIP3 7927 -22.928 36.904 -7.523 1.00 0.00 WAT +ATOM 30091 H2 TIP3 7927 -24.303 36.290 -7.462 1.00 0.00 WAT +ATOM 30092 OH2 TIP3 7928 -5.781 32.536 -5.926 1.00 0.00 WAT +ATOM 30093 H1 TIP3 7928 -5.374 31.839 -6.473 1.00 0.00 WAT +ATOM 30094 H2 TIP3 7928 -5.753 33.309 -6.522 1.00 0.00 WAT +ATOM 30095 OH2 TIP3 7929 -8.241 34.260 -19.490 1.00 0.00 WAT +ATOM 30096 H1 TIP3 7929 -8.227 33.964 -18.566 1.00 0.00 WAT +ATOM 30097 H2 TIP3 7929 -9.038 33.790 -19.821 1.00 0.00 WAT +ATOM 30098 OH2 TIP3 7930 -23.088 35.467 -14.715 1.00 0.00 WAT +ATOM 30099 H1 TIP3 7930 -22.608 34.620 -14.675 1.00 0.00 WAT +ATOM 30100 H2 TIP3 7930 -22.396 36.079 -14.402 1.00 0.00 WAT +ATOM 30101 OH2 TIP3 7931 -24.542 38.147 -13.674 1.00 0.00 WAT +ATOM 30102 H1 TIP3 7931 -23.943 38.116 -14.439 1.00 0.00 WAT +ATOM 30103 H2 TIP3 7931 -24.216 38.935 -13.219 1.00 0.00 WAT +ATOM 30104 OH2 TIP3 7932 -6.399 34.579 -7.691 1.00 0.00 WAT +ATOM 30105 H1 TIP3 7932 -7.274 35.004 -7.616 1.00 0.00 WAT +ATOM 30106 H2 TIP3 7932 -6.549 34.029 -8.481 1.00 0.00 WAT +ATOM 30107 OH2 TIP3 7933 -6.298 34.745 -22.800 1.00 0.00 WAT +ATOM 30108 H1 TIP3 7933 -5.995 33.956 -23.282 1.00 0.00 WAT +ATOM 30109 H2 TIP3 7933 -5.492 35.285 -22.763 1.00 0.00 WAT +ATOM 30110 OH2 TIP3 7934 -24.037 34.433 -19.672 1.00 0.00 WAT +ATOM 30111 H1 TIP3 7934 -24.986 34.537 -19.854 1.00 0.00 WAT +ATOM 30112 H2 TIP3 7934 -23.623 35.077 -20.281 1.00 0.00 WAT +ATOM 30113 OH2 TIP3 7935 -24.004 33.355 -11.490 1.00 0.00 WAT +ATOM 30114 H1 TIP3 7935 -24.719 33.118 -10.885 1.00 0.00 WAT +ATOM 30115 H2 TIP3 7935 -24.480 33.904 -12.140 1.00 0.00 WAT +ATOM 30116 OH2 TIP3 7936 -7.519 32.811 -9.704 1.00 0.00 WAT +ATOM 30117 H1 TIP3 7936 -8.328 33.028 -10.200 1.00 0.00 WAT +ATOM 30118 H2 TIP3 7936 -7.328 31.909 -10.035 1.00 0.00 WAT +ATOM 30119 OH2 TIP3 7937 -14.081 34.238 -15.047 1.00 0.00 WAT +ATOM 30120 H1 TIP3 7937 -14.822 33.606 -15.012 1.00 0.00 WAT +ATOM 30121 H2 TIP3 7937 -13.739 34.067 -15.944 1.00 0.00 WAT +ATOM 30122 OH2 TIP3 7938 -9.135 32.302 -14.765 1.00 0.00 WAT +ATOM 30123 H1 TIP3 7938 -8.423 32.794 -15.208 1.00 0.00 WAT +ATOM 30124 H2 TIP3 7938 -9.919 32.560 -15.298 1.00 0.00 WAT +ATOM 30125 OH2 TIP3 7939 -7.035 33.405 -16.832 1.00 0.00 WAT +ATOM 30126 H1 TIP3 7939 -6.363 33.044 -17.435 1.00 0.00 WAT +ATOM 30127 H2 TIP3 7939 -6.794 34.350 -16.794 1.00 0.00 WAT +ATOM 30128 OH2 TIP3 7940 -21.806 32.988 -17.596 1.00 0.00 WAT +ATOM 30129 H1 TIP3 7940 -22.623 32.871 -18.118 1.00 0.00 WAT +ATOM 30130 H2 TIP3 7940 -21.300 32.197 -17.843 1.00 0.00 WAT +ATOM 30131 OH2 TIP3 7941 -22.944 32.509 -21.810 1.00 0.00 WAT +ATOM 30132 H1 TIP3 7941 -22.403 33.164 -22.293 1.00 0.00 WAT +ATOM 30133 H2 TIP3 7941 -23.340 33.056 -21.112 1.00 0.00 WAT +ATOM 30134 OH2 TIP3 7942 -17.502 32.799 -17.533 1.00 0.00 WAT +ATOM 30135 H1 TIP3 7942 -16.890 33.099 -18.243 1.00 0.00 WAT +ATOM 30136 H2 TIP3 7942 -16.939 32.722 -16.755 1.00 0.00 WAT +ATOM 30137 OH2 TIP3 7943 -11.457 32.786 -16.295 1.00 0.00 WAT +ATOM 30138 H1 TIP3 7943 -11.589 32.928 -17.242 1.00 0.00 WAT +ATOM 30139 H2 TIP3 7943 -12.110 32.089 -16.117 1.00 0.00 WAT +ATOM 30140 OH2 TIP3 7944 -10.514 32.861 -20.407 1.00 0.00 WAT +ATOM 30141 H1 TIP3 7944 -11.292 33.466 -20.466 1.00 0.00 WAT +ATOM 30142 H2 TIP3 7944 -10.964 32.007 -20.300 1.00 0.00 WAT +ATOM 30143 OH2 TIP3 7945 -21.182 34.309 -23.309 1.00 0.00 WAT +ATOM 30144 H1 TIP3 7945 -20.574 33.787 -23.860 1.00 0.00 WAT +ATOM 30145 H2 TIP3 7945 -20.558 34.665 -22.641 1.00 0.00 WAT +ATOM 30146 OH2 TIP3 7946 -21.966 33.225 -8.169 1.00 0.00 WAT +ATOM 30147 H1 TIP3 7946 -22.352 32.418 -7.786 1.00 0.00 WAT +ATOM 30148 H2 TIP3 7946 -21.041 33.136 -7.888 1.00 0.00 WAT +ATOM 30149 OH2 TIP3 7947 -19.587 32.637 -6.415 1.00 0.00 WAT +ATOM 30150 H1 TIP3 7947 -18.756 32.309 -6.815 1.00 0.00 WAT +ATOM 30151 H2 TIP3 7947 -19.913 31.831 -5.985 1.00 0.00 WAT +ATOM 30152 OH2 TIP3 7948 -11.443 31.702 -6.275 1.00 0.00 WAT +ATOM 30153 H1 TIP3 7948 -11.426 31.345 -5.366 1.00 0.00 WAT +ATOM 30154 H2 TIP3 7948 -10.494 31.733 -6.496 1.00 0.00 WAT +ATOM 30155 OH2 TIP3 7949 6.111 41.996 -17.645 1.00 0.00 WAT +ATOM 30156 H1 TIP3 7949 5.843 42.911 -17.480 1.00 0.00 WAT +ATOM 30157 H2 TIP3 7949 5.367 41.695 -18.191 1.00 0.00 WAT +ATOM 30158 OH2 TIP3 7950 5.000 41.300 -14.335 1.00 0.00 WAT +ATOM 30159 H1 TIP3 7950 4.973 40.830 -13.484 1.00 0.00 WAT +ATOM 30160 H2 TIP3 7950 4.633 40.652 -14.946 1.00 0.00 WAT +ATOM 30161 OH2 TIP3 7951 -2.604 40.812 -12.727 1.00 0.00 WAT +ATOM 30162 H1 TIP3 7951 -2.639 40.075 -12.091 1.00 0.00 WAT +ATOM 30163 H2 TIP3 7951 -1.905 41.351 -12.335 1.00 0.00 WAT +ATOM 30164 OH2 TIP3 7952 -4.910 38.865 -18.795 1.00 0.00 WAT +ATOM 30165 H1 TIP3 7952 -5.365 39.723 -18.713 1.00 0.00 WAT +ATOM 30166 H2 TIP3 7952 -5.613 38.316 -19.164 1.00 0.00 WAT +ATOM 30167 OH2 TIP3 7953 -3.971 41.368 -16.913 1.00 0.00 WAT +ATOM 30168 H1 TIP3 7953 -3.994 40.564 -16.359 1.00 0.00 WAT +ATOM 30169 H2 TIP3 7953 -3.182 41.186 -17.436 1.00 0.00 WAT +ATOM 30170 OH2 TIP3 7954 12.119 35.232 -13.160 1.00 0.00 WAT +ATOM 30171 H1 TIP3 7954 12.338 35.822 -12.419 1.00 0.00 WAT +ATOM 30172 H2 TIP3 7954 12.758 35.540 -13.830 1.00 0.00 WAT +ATOM 30173 OH2 TIP3 7955 6.797 38.049 -13.300 1.00 0.00 WAT +ATOM 30174 H1 TIP3 7955 6.919 37.089 -13.216 1.00 0.00 WAT +ATOM 30175 H2 TIP3 7955 6.624 38.143 -14.246 1.00 0.00 WAT +ATOM 30176 OH2 TIP3 7956 -0.260 36.051 -16.196 1.00 0.00 WAT +ATOM 30177 H1 TIP3 7956 -0.154 36.913 -16.646 1.00 0.00 WAT +ATOM 30178 H2 TIP3 7956 -0.625 35.527 -16.938 1.00 0.00 WAT +ATOM 30179 OH2 TIP3 7957 -3.607 38.787 -15.684 1.00 0.00 WAT +ATOM 30180 H1 TIP3 7957 -2.982 38.316 -15.111 1.00 0.00 WAT +ATOM 30181 H2 TIP3 7957 -3.518 38.291 -16.518 1.00 0.00 WAT +ATOM 30182 OH2 TIP3 7958 1.852 40.174 -16.217 1.00 0.00 WAT +ATOM 30183 H1 TIP3 7958 2.503 39.575 -15.806 1.00 0.00 WAT +ATOM 30184 H2 TIP3 7958 1.268 39.546 -16.683 1.00 0.00 WAT +ATOM 30185 OH2 TIP3 7959 12.837 36.595 -10.661 1.00 0.00 WAT +ATOM 30186 H1 TIP3 7959 12.249 37.320 -10.944 1.00 0.00 WAT +ATOM 30187 H2 TIP3 7959 12.639 36.568 -9.715 1.00 0.00 WAT +ATOM 30188 OH2 TIP3 7960 -1.495 34.827 -12.035 1.00 0.00 WAT +ATOM 30189 H1 TIP3 7960 -1.874 35.380 -12.736 1.00 0.00 WAT +ATOM 30190 H2 TIP3 7960 -2.142 34.981 -11.316 1.00 0.00 WAT +ATOM 30191 OH2 TIP3 7961 1.237 42.663 -12.277 1.00 0.00 WAT +ATOM 30192 H1 TIP3 7961 0.428 43.186 -12.172 1.00 0.00 WAT +ATOM 30193 H2 TIP3 7961 1.891 43.376 -12.288 1.00 0.00 WAT +ATOM 30194 OH2 TIP3 7962 9.249 35.701 -16.153 1.00 0.00 WAT +ATOM 30195 H1 TIP3 7962 8.876 34.966 -15.643 1.00 0.00 WAT +ATOM 30196 H2 TIP3 7962 9.753 36.158 -15.456 1.00 0.00 WAT +ATOM 30197 OH2 TIP3 7963 -1.873 36.868 -14.079 1.00 0.00 WAT +ATOM 30198 H1 TIP3 7963 -1.252 37.463 -13.608 1.00 0.00 WAT +ATOM 30199 H2 TIP3 7963 -1.291 36.536 -14.797 1.00 0.00 WAT +ATOM 30200 OH2 TIP3 7964 9.530 34.618 -12.000 1.00 0.00 WAT +ATOM 30201 H1 TIP3 7964 8.757 35.012 -12.445 1.00 0.00 WAT +ATOM 30202 H2 TIP3 7964 10.247 34.797 -12.636 1.00 0.00 WAT +ATOM 30203 OH2 TIP3 7965 2.483 32.139 -15.082 1.00 0.00 WAT +ATOM 30204 H1 TIP3 7965 2.515 31.240 -14.732 1.00 0.00 WAT +ATOM 30205 H2 TIP3 7965 1.743 32.548 -14.584 1.00 0.00 WAT +ATOM 30206 OH2 TIP3 7966 4.802 41.337 -20.241 1.00 0.00 WAT +ATOM 30207 H1 TIP3 7966 4.139 41.971 -20.593 1.00 0.00 WAT +ATOM 30208 H2 TIP3 7966 5.420 41.310 -20.982 1.00 0.00 WAT +ATOM 30209 OH2 TIP3 7967 5.064 39.422 -22.993 1.00 0.00 WAT +ATOM 30210 H1 TIP3 7967 5.848 39.689 -22.481 1.00 0.00 WAT +ATOM 30211 H2 TIP3 7967 5.477 38.987 -23.748 1.00 0.00 WAT +ATOM 30212 OH2 TIP3 7968 12.163 40.539 -11.972 1.00 0.00 WAT +ATOM 30213 H1 TIP3 7968 11.515 41.263 -11.822 1.00 0.00 WAT +ATOM 30214 H2 TIP3 7968 12.681 40.951 -12.694 1.00 0.00 WAT +ATOM 30215 OH2 TIP3 7969 8.281 41.373 -19.238 1.00 0.00 WAT +ATOM 30216 H1 TIP3 7969 7.638 41.682 -18.564 1.00 0.00 WAT +ATOM 30217 H2 TIP3 7969 8.951 40.942 -18.705 1.00 0.00 WAT +ATOM 30218 OH2 TIP3 7970 8.076 39.802 -10.265 1.00 0.00 WAT +ATOM 30219 H1 TIP3 7970 8.120 40.557 -9.655 1.00 0.00 WAT +ATOM 30220 H2 TIP3 7970 7.544 40.206 -10.974 1.00 0.00 WAT +ATOM 30221 OH2 TIP3 7971 -0.199 41.986 -17.234 1.00 0.00 WAT +ATOM 30222 H1 TIP3 7971 -0.344 41.782 -18.175 1.00 0.00 WAT +ATOM 30223 H2 TIP3 7971 0.664 41.573 -17.071 1.00 0.00 WAT +ATOM 30224 OH2 TIP3 7972 0.439 40.660 -13.857 1.00 0.00 WAT +ATOM 30225 H1 TIP3 7972 1.004 40.769 -14.646 1.00 0.00 WAT +ATOM 30226 H2 TIP3 7972 0.723 41.413 -13.296 1.00 0.00 WAT +ATOM 30227 OH2 TIP3 7973 7.376 40.131 -21.477 1.00 0.00 WAT +ATOM 30228 H1 TIP3 7973 7.796 40.626 -20.736 1.00 0.00 WAT +ATOM 30229 H2 TIP3 7973 7.776 40.630 -22.233 1.00 0.00 WAT +ATOM 30230 OH2 TIP3 7974 -1.735 41.465 -9.990 1.00 0.00 WAT +ATOM 30231 H1 TIP3 7974 -1.607 42.100 -9.246 1.00 0.00 WAT +ATOM 30232 H2 TIP3 7974 -2.707 41.414 -10.006 1.00 0.00 WAT +ATOM 30233 OH2 TIP3 7975 10.668 32.475 -22.104 1.00 0.00 WAT +ATOM 30234 H1 TIP3 7975 9.802 32.591 -21.676 1.00 0.00 WAT +ATOM 30235 H2 TIP3 7975 11.026 33.376 -22.137 1.00 0.00 WAT +ATOM 30236 OH2 TIP3 7976 -1.238 40.877 -19.760 1.00 0.00 WAT +ATOM 30237 H1 TIP3 7976 -1.413 41.668 -20.312 1.00 0.00 WAT +ATOM 30238 H2 TIP3 7976 -1.883 40.243 -20.094 1.00 0.00 WAT +ATOM 30239 OH2 TIP3 7977 -5.171 43.097 -10.969 1.00 0.00 WAT +ATOM 30240 H1 TIP3 7977 -5.292 42.899 -11.909 1.00 0.00 WAT +ATOM 30241 H2 TIP3 7977 -4.936 42.224 -10.600 1.00 0.00 WAT +ATOM 30242 OH2 TIP3 7978 10.071 38.372 -7.923 1.00 0.00 WAT +ATOM 30243 H1 TIP3 7978 9.569 38.761 -8.652 1.00 0.00 WAT +ATOM 30244 H2 TIP3 7978 10.127 37.438 -8.203 1.00 0.00 WAT +ATOM 30245 OH2 TIP3 7979 0.232 33.456 -13.998 1.00 0.00 WAT +ATOM 30246 H1 TIP3 7979 -0.570 33.463 -14.552 1.00 0.00 WAT +ATOM 30247 H2 TIP3 7979 0.057 34.236 -13.447 1.00 0.00 WAT +ATOM 30248 OH2 TIP3 7980 4.614 33.035 -10.415 1.00 0.00 WAT +ATOM 30249 H1 TIP3 7980 5.143 32.548 -9.751 1.00 0.00 WAT +ATOM 30250 H2 TIP3 7980 3.707 32.719 -10.246 1.00 0.00 WAT +ATOM 30251 OH2 TIP3 7981 7.751 36.854 -9.893 1.00 0.00 WAT +ATOM 30252 H1 TIP3 7981 7.167 36.701 -9.127 1.00 0.00 WAT +ATOM 30253 H2 TIP3 7981 7.694 37.817 -10.027 1.00 0.00 WAT +ATOM 30254 OH2 TIP3 7982 8.500 41.616 -23.469 1.00 0.00 WAT +ATOM 30255 H1 TIP3 7982 8.402 41.574 -24.435 1.00 0.00 WAT +ATOM 30256 H2 TIP3 7982 9.338 42.113 -23.398 1.00 0.00 WAT +ATOM 30257 OH2 TIP3 7983 4.668 35.492 -23.112 1.00 0.00 WAT +ATOM 30258 H1 TIP3 7983 4.050 35.510 -22.365 1.00 0.00 WAT +ATOM 30259 H2 TIP3 7983 4.166 34.929 -23.727 1.00 0.00 WAT +ATOM 30260 OH2 TIP3 7984 0.098 38.229 -12.593 1.00 0.00 WAT +ATOM 30261 H1 TIP3 7984 -0.499 38.382 -11.841 1.00 0.00 WAT +ATOM 30262 H2 TIP3 7984 0.193 39.135 -12.969 1.00 0.00 WAT +ATOM 30263 OH2 TIP3 7985 0.039 38.334 -17.748 1.00 0.00 WAT +ATOM 30264 H1 TIP3 7985 -0.922 38.281 -17.904 1.00 0.00 WAT +ATOM 30265 H2 TIP3 7985 0.372 38.168 -18.651 1.00 0.00 WAT +ATOM 30266 OH2 TIP3 7986 6.049 38.770 -19.255 1.00 0.00 WAT +ATOM 30267 H1 TIP3 7986 5.438 39.528 -19.255 1.00 0.00 WAT +ATOM 30268 H2 TIP3 7986 6.507 38.975 -20.092 1.00 0.00 WAT +ATOM 30269 OH2 TIP3 7987 4.844 39.196 -7.548 1.00 0.00 WAT +ATOM 30270 H1 TIP3 7987 4.340 38.432 -7.208 1.00 0.00 WAT +ATOM 30271 H2 TIP3 7987 5.727 39.046 -7.161 1.00 0.00 WAT +ATOM 30272 OH2 TIP3 7988 6.562 38.077 -16.316 1.00 0.00 WAT +ATOM 30273 H1 TIP3 7988 6.314 38.670 -17.046 1.00 0.00 WAT +ATOM 30274 H2 TIP3 7988 6.621 37.225 -16.763 1.00 0.00 WAT +ATOM 30275 OH2 TIP3 7989 -2.499 38.394 -10.837 1.00 0.00 WAT +ATOM 30276 H1 TIP3 7989 -2.329 38.806 -9.982 1.00 0.00 WAT +ATOM 30277 H2 TIP3 7989 -2.880 37.538 -10.574 1.00 0.00 WAT +ATOM 30278 OH2 TIP3 7990 0.877 36.001 -24.203 1.00 0.00 WAT +ATOM 30279 H1 TIP3 7990 0.472 35.646 -23.388 1.00 0.00 WAT +ATOM 30280 H2 TIP3 7990 0.103 36.203 -24.743 1.00 0.00 WAT +ATOM 30281 OH2 TIP3 7991 -5.708 35.959 -17.157 1.00 0.00 WAT +ATOM 30282 H1 TIP3 7991 -5.108 35.881 -16.392 1.00 0.00 WAT +ATOM 30283 H2 TIP3 7991 -5.228 35.523 -17.877 1.00 0.00 WAT +ATOM 30284 OH2 TIP3 7992 -4.105 36.345 -21.427 1.00 0.00 WAT +ATOM 30285 H1 TIP3 7992 -3.586 36.832 -22.100 1.00 0.00 WAT +ATOM 30286 H2 TIP3 7992 -4.821 36.982 -21.256 1.00 0.00 WAT +ATOM 30287 OH2 TIP3 7993 5.432 39.960 -11.781 1.00 0.00 WAT +ATOM 30288 H1 TIP3 7993 6.016 39.317 -12.237 1.00 0.00 WAT +ATOM 30289 H2 TIP3 7993 5.209 39.473 -10.974 1.00 0.00 WAT +ATOM 30290 OH2 TIP3 7994 2.829 35.940 -16.692 1.00 0.00 WAT +ATOM 30291 H1 TIP3 7994 1.870 35.927 -16.522 1.00 0.00 WAT +ATOM 30292 H2 TIP3 7994 3.178 35.744 -15.807 1.00 0.00 WAT +ATOM 30293 OH2 TIP3 7995 -2.633 37.169 -18.038 1.00 0.00 WAT +ATOM 30294 H1 TIP3 7995 -3.445 37.448 -18.499 1.00 0.00 WAT +ATOM 30295 H2 TIP3 7995 -2.357 36.376 -18.534 1.00 0.00 WAT +ATOM 30296 OH2 TIP3 7996 1.002 37.475 -20.388 1.00 0.00 WAT +ATOM 30297 H1 TIP3 7996 1.963 37.615 -20.315 1.00 0.00 WAT +ATOM 30298 H2 TIP3 7996 0.731 38.087 -21.096 1.00 0.00 WAT +ATOM 30299 OH2 TIP3 7997 7.155 35.081 -13.711 1.00 0.00 WAT +ATOM 30300 H1 TIP3 7997 6.557 35.093 -12.930 1.00 0.00 WAT +ATOM 30301 H2 TIP3 7997 6.549 34.713 -14.373 1.00 0.00 WAT +ATOM 30302 OH2 TIP3 7998 -0.533 38.749 -22.575 1.00 0.00 WAT +ATOM 30303 H1 TIP3 7998 -1.114 38.469 -23.299 1.00 0.00 WAT +ATOM 30304 H2 TIP3 7998 0.279 38.969 -23.069 1.00 0.00 WAT +ATOM 30305 OH2 TIP3 7999 -1.604 43.160 -7.928 1.00 0.00 WAT +ATOM 30306 H1 TIP3 7999 -1.052 43.654 -7.289 1.00 0.00 WAT +ATOM 30307 H2 TIP3 7999 -2.420 43.041 -7.392 1.00 0.00 WAT +ATOM 30308 OH2 TIP3 8000 3.924 38.473 -14.929 1.00 0.00 WAT +ATOM 30309 H1 TIP3 8000 4.612 37.938 -15.344 1.00 0.00 WAT +ATOM 30310 H2 TIP3 8000 3.712 37.944 -14.134 1.00 0.00 WAT +ATOM 30311 OH2 TIP3 8001 -0.960 34.828 -18.666 1.00 0.00 WAT +ATOM 30312 H1 TIP3 8001 -1.450 33.998 -18.536 1.00 0.00 WAT +ATOM 30313 H2 TIP3 8001 -0.172 34.523 -19.136 1.00 0.00 WAT +ATOM 30314 OH2 TIP3 8002 2.817 36.989 -12.703 1.00 0.00 WAT +ATOM 30315 H1 TIP3 8002 2.023 37.547 -12.642 1.00 0.00 WAT +ATOM 30316 H2 TIP3 8002 3.311 37.223 -11.892 1.00 0.00 WAT +ATOM 30317 OH2 TIP3 8003 2.902 43.345 -20.671 1.00 0.00 WAT +ATOM 30318 H1 TIP3 8003 2.161 42.906 -21.136 1.00 0.00 WAT +ATOM 30319 H2 TIP3 8003 2.668 43.251 -19.741 1.00 0.00 WAT +ATOM 30320 OH2 TIP3 8004 10.410 42.645 -12.075 1.00 0.00 WAT +ATOM 30321 H1 TIP3 8004 10.666 43.125 -12.881 1.00 0.00 WAT +ATOM 30322 H2 TIP3 8004 9.455 42.563 -12.250 1.00 0.00 WAT +ATOM 30323 OH2 TIP3 8005 7.111 36.564 -22.150 1.00 0.00 WAT +ATOM 30324 H1 TIP3 8005 6.294 36.373 -22.657 1.00 0.00 WAT +ATOM 30325 H2 TIP3 8005 7.305 37.469 -22.440 1.00 0.00 WAT +ATOM 30326 OH2 TIP3 8006 -1.640 42.506 -15.021 1.00 0.00 WAT +ATOM 30327 H1 TIP3 8006 -1.061 42.391 -15.807 1.00 0.00 WAT +ATOM 30328 H2 TIP3 8006 -1.567 41.632 -14.607 1.00 0.00 WAT +ATOM 30329 OH2 TIP3 8007 -4.605 40.771 -9.709 1.00 0.00 WAT +ATOM 30330 H1 TIP3 8007 -4.520 40.427 -8.799 1.00 0.00 WAT +ATOM 30331 H2 TIP3 8007 -5.378 40.297 -10.057 1.00 0.00 WAT +ATOM 30332 OH2 TIP3 8008 2.291 40.479 -7.654 1.00 0.00 WAT +ATOM 30333 H1 TIP3 8008 1.954 40.274 -8.541 1.00 0.00 WAT +ATOM 30334 H2 TIP3 8008 3.240 40.282 -7.757 1.00 0.00 WAT +ATOM 30335 OH2 TIP3 8009 12.332 37.925 -21.114 1.00 0.00 WAT +ATOM 30336 H1 TIP3 8009 11.756 37.706 -21.870 1.00 0.00 WAT +ATOM 30337 H2 TIP3 8009 12.399 38.886 -21.256 1.00 0.00 WAT +ATOM 30338 OH2 TIP3 8010 7.823 41.730 -13.391 1.00 0.00 WAT +ATOM 30339 H1 TIP3 8010 6.917 41.800 -13.737 1.00 0.00 WAT +ATOM 30340 H2 TIP3 8010 8.322 41.399 -14.149 1.00 0.00 WAT +ATOM 30341 OH2 TIP3 8011 -3.627 40.938 -23.134 1.00 0.00 WAT +ATOM 30342 H1 TIP3 8011 -3.049 41.555 -22.660 1.00 0.00 WAT +ATOM 30343 H2 TIP3 8011 -4.486 41.102 -22.690 1.00 0.00 WAT +ATOM 30344 OH2 TIP3 8012 -3.358 35.631 -10.047 1.00 0.00 WAT +ATOM 30345 H1 TIP3 8012 -4.267 35.902 -10.286 1.00 0.00 WAT +ATOM 30346 H2 TIP3 8012 -3.511 34.773 -9.612 1.00 0.00 WAT +ATOM 30347 OH2 TIP3 8013 -1.851 -43.868 -21.285 1.00 0.00 WAT +ATOM 30348 H1 TIP3 8013 -2.762 -43.535 -21.146 1.00 0.00 WAT +ATOM 30349 H2 TIP3 8013 -1.402 -43.047 -21.537 1.00 0.00 WAT +ATOM 30350 OH2 TIP3 8014 5.612 35.475 -11.509 1.00 0.00 WAT +ATOM 30351 H1 TIP3 8014 6.212 35.786 -10.813 1.00 0.00 WAT +ATOM 30352 H2 TIP3 8014 5.126 34.752 -11.067 1.00 0.00 WAT +ATOM 30353 OH2 TIP3 8015 6.276 35.247 -19.847 1.00 0.00 WAT +ATOM 30354 H1 TIP3 8015 6.432 35.637 -20.736 1.00 0.00 WAT +ATOM 30355 H2 TIP3 8015 7.158 35.186 -19.489 1.00 0.00 WAT +ATOM 30356 OH2 TIP3 8016 3.630 36.979 -19.294 1.00 0.00 WAT +ATOM 30357 H1 TIP3 8016 4.471 37.460 -19.206 1.00 0.00 WAT +ATOM 30358 H2 TIP3 8016 3.367 36.817 -18.369 1.00 0.00 WAT +ATOM 30359 OH2 TIP3 8017 4.058 37.890 -10.117 1.00 0.00 WAT +ATOM 30360 H1 TIP3 8017 4.082 38.405 -9.294 1.00 0.00 WAT +ATOM 30361 H2 TIP3 8017 4.557 37.103 -9.863 1.00 0.00 WAT +ATOM 30362 OH2 TIP3 8018 4.235 33.931 -18.344 1.00 0.00 WAT +ATOM 30363 H1 TIP3 8018 3.947 34.602 -17.695 1.00 0.00 WAT +ATOM 30364 H2 TIP3 8018 4.948 34.412 -18.812 1.00 0.00 WAT +ATOM 30365 OH2 TIP3 8019 -0.030 34.932 -21.802 1.00 0.00 WAT +ATOM 30366 H1 TIP3 8019 0.003 35.724 -21.238 1.00 0.00 WAT +ATOM 30367 H2 TIP3 8019 0.800 34.483 -21.551 1.00 0.00 WAT +ATOM 30368 OH2 TIP3 8020 10.300 35.848 -9.247 1.00 0.00 WAT +ATOM 30369 H1 TIP3 8020 9.341 35.959 -9.398 1.00 0.00 WAT +ATOM 30370 H2 TIP3 8020 10.563 35.624 -10.151 1.00 0.00 WAT +ATOM 30371 OH2 TIP3 8021 8.906 39.628 -15.511 1.00 0.00 WAT +ATOM 30372 H1 TIP3 8021 8.030 39.211 -15.533 1.00 0.00 WAT +ATOM 30373 H2 TIP3 8021 9.368 39.065 -14.856 1.00 0.00 WAT +ATOM 30374 OH2 TIP3 8022 -3.500 38.000 -23.605 1.00 0.00 WAT +ATOM 30375 H1 TIP3 8022 -3.364 38.948 -23.442 1.00 0.00 WAT +ATOM 30376 H2 TIP3 8022 -4.334 37.997 -24.093 1.00 0.00 WAT +ATOM 30377 OH2 TIP3 8023 -2.541 32.991 -14.897 1.00 0.00 WAT +ATOM 30378 H1 TIP3 8023 -2.708 32.961 -15.859 1.00 0.00 WAT +ATOM 30379 H2 TIP3 8023 -2.916 32.151 -14.586 1.00 0.00 WAT +ATOM 30380 OH2 TIP3 8024 -4.044 43.066 -6.804 1.00 0.00 WAT +ATOM 30381 H1 TIP3 8024 -4.299 42.128 -6.752 1.00 0.00 WAT +ATOM 30382 H2 TIP3 8024 -4.853 43.535 -7.031 1.00 0.00 WAT +ATOM 30383 OH2 TIP3 8025 1.828 43.291 -7.264 1.00 0.00 WAT +ATOM 30384 H1 TIP3 8025 1.850 43.456 -8.227 1.00 0.00 WAT +ATOM 30385 H2 TIP3 8025 2.202 42.390 -7.213 1.00 0.00 WAT +ATOM 30386 OH2 TIP3 8026 7.870 -43.765 -9.528 1.00 0.00 WAT +ATOM 30387 H1 TIP3 8026 8.656 -43.303 -9.854 1.00 0.00 WAT +ATOM 30388 H2 TIP3 8026 7.177 -43.119 -9.720 1.00 0.00 WAT +ATOM 30389 OH2 TIP3 8027 -3.492 40.225 -7.078 1.00 0.00 WAT +ATOM 30390 H1 TIP3 8027 -2.705 39.657 -7.141 1.00 0.00 WAT +ATOM 30391 H2 TIP3 8027 -3.473 40.456 -6.131 1.00 0.00 WAT +ATOM 30392 OH2 TIP3 8028 1.075 41.603 -21.900 1.00 0.00 WAT +ATOM 30393 H1 TIP3 8028 0.390 41.138 -21.404 1.00 0.00 WAT +ATOM 30394 H2 TIP3 8028 1.257 40.988 -22.632 1.00 0.00 WAT +ATOM 30395 OH2 TIP3 8029 0.255 39.323 -9.682 1.00 0.00 WAT +ATOM 30396 H1 TIP3 8029 -0.328 40.084 -9.501 1.00 0.00 WAT +ATOM 30397 H2 TIP3 8029 0.883 39.709 -10.319 1.00 0.00 WAT +ATOM 30398 OH2 TIP3 8030 1.924 39.558 -23.737 1.00 0.00 WAT +ATOM 30399 H1 TIP3 8030 1.895 39.711 -24.701 1.00 0.00 WAT +ATOM 30400 H2 TIP3 8030 2.880 39.620 -23.561 1.00 0.00 WAT +ATOM 30401 OH2 TIP3 8031 5.515 42.152 -6.173 1.00 0.00 WAT +ATOM 30402 H1 TIP3 8031 6.406 41.958 -6.484 1.00 0.00 WAT +ATOM 30403 H2 TIP3 8031 5.201 41.299 -5.866 1.00 0.00 WAT +ATOM 30404 OH2 TIP3 8032 11.132 41.882 -24.505 1.00 0.00 WAT +ATOM 30405 H1 TIP3 8032 11.153 41.833 -25.470 1.00 0.00 WAT +ATOM 30406 H2 TIP3 8032 11.199 42.841 -24.318 1.00 0.00 WAT +ATOM 30407 OH2 TIP3 8033 0.813 36.635 -8.560 1.00 0.00 WAT +ATOM 30408 H1 TIP3 8033 0.877 35.983 -9.280 1.00 0.00 WAT +ATOM 30409 H2 TIP3 8033 0.600 37.451 -9.048 1.00 0.00 WAT +ATOM 30410 OH2 TIP3 8034 1.152 35.087 -11.153 1.00 0.00 WAT +ATOM 30411 H1 TIP3 8034 1.654 35.659 -11.762 1.00 0.00 WAT +ATOM 30412 H2 TIP3 8034 0.230 35.171 -11.472 1.00 0.00 WAT +ATOM 30413 OH2 TIP3 8035 2.636 40.652 -10.813 1.00 0.00 WAT +ATOM 30414 H1 TIP3 8035 3.492 40.555 -11.265 1.00 0.00 WAT +ATOM 30415 H2 TIP3 8035 2.301 41.484 -11.189 1.00 0.00 WAT +ATOM 30416 OH2 TIP3 8036 7.282 38.487 -5.931 1.00 0.00 WAT +ATOM 30417 H1 TIP3 8036 7.497 37.551 -5.802 1.00 0.00 WAT +ATOM 30418 H2 TIP3 8036 8.168 38.880 -5.979 1.00 0.00 WAT +ATOM 30419 OH2 TIP3 8037 8.237 41.357 -7.586 1.00 0.00 WAT +ATOM 30420 H1 TIP3 8037 7.997 42.081 -8.209 1.00 0.00 WAT +ATOM 30421 H2 TIP3 8037 9.154 41.192 -7.866 1.00 0.00 WAT +ATOM 30422 OH2 TIP3 8038 -1.039 38.511 -6.769 1.00 0.00 WAT +ATOM 30423 H1 TIP3 8038 -1.540 37.675 -6.775 1.00 0.00 WAT +ATOM 30424 H2 TIP3 8038 -0.209 38.246 -7.196 1.00 0.00 WAT +ATOM 30425 OH2 TIP3 8039 1.864 32.437 -10.766 1.00 0.00 WAT +ATOM 30426 H1 TIP3 8039 1.700 33.393 -10.926 1.00 0.00 WAT +ATOM 30427 H2 TIP3 8039 1.152 32.029 -11.285 1.00 0.00 WAT +ATOM 30428 OH2 TIP3 8040 3.144 37.000 -6.982 1.00 0.00 WAT +ATOM 30429 H1 TIP3 8040 2.796 36.810 -6.093 1.00 0.00 WAT +ATOM 30430 H2 TIP3 8040 2.339 36.815 -7.510 1.00 0.00 WAT +ATOM 30431 OH2 TIP3 8041 5.648 36.045 -8.117 1.00 0.00 WAT +ATOM 30432 H1 TIP3 8041 4.778 36.119 -7.680 1.00 0.00 WAT +ATOM 30433 H2 TIP3 8041 6.116 35.426 -7.522 1.00 0.00 WAT +ATOM 30434 OH2 TIP3 8042 7.505 34.543 -6.383 1.00 0.00 WAT +ATOM 30435 H1 TIP3 8042 7.362 33.589 -6.227 1.00 0.00 WAT +ATOM 30436 H2 TIP3 8042 7.328 34.941 -5.511 1.00 0.00 WAT +ATOM 30437 OH2 TIP3 8043 -2.322 35.942 -6.930 1.00 0.00 WAT +ATOM 30438 H1 TIP3 8043 -2.399 35.238 -7.592 1.00 0.00 WAT +ATOM 30439 H2 TIP3 8043 -2.537 35.464 -6.106 1.00 0.00 WAT +ATOM 30440 OH2 TIP3 8044 1.698 31.912 -7.942 1.00 0.00 WAT +ATOM 30441 H1 TIP3 8044 2.302 31.154 -7.878 1.00 0.00 WAT +ATOM 30442 H2 TIP3 8044 1.699 32.074 -8.904 1.00 0.00 WAT +ATOM 30443 OH2 TIP3 8045 2.647 33.787 -6.094 1.00 0.00 WAT +ATOM 30444 H1 TIP3 8045 2.328 33.193 -6.803 1.00 0.00 WAT +ATOM 30445 H2 TIP3 8045 1.959 34.471 -6.064 1.00 0.00 WAT +ATOM 30446 OH2 TIP3 8046 12.045 43.605 -20.039 1.00 0.00 WAT +ATOM 30447 H1 TIP3 8046 12.980 43.605 -20.278 1.00 0.00 WAT +ATOM 30448 H2 TIP3 8046 11.884 42.733 -19.654 1.00 0.00 WAT +ATOM 30449 OH2 TIP3 8047 12.317 41.240 -18.434 1.00 0.00 WAT +ATOM 30450 H1 TIP3 8047 11.663 40.764 -17.915 1.00 0.00 WAT +ATOM 30451 H2 TIP3 8047 12.959 41.521 -17.751 1.00 0.00 WAT +ATOM 30452 OH2 TIP3 8048 12.572 40.938 -21.925 1.00 0.00 WAT +ATOM 30453 H1 TIP3 8048 11.933 41.133 -22.637 1.00 0.00 WAT +ATOM 30454 H2 TIP3 8048 12.462 41.719 -21.370 1.00 0.00 WAT +ATOM 30455 OH2 TIP3 8049 10.878 38.418 -23.620 1.00 0.00 WAT +ATOM 30456 H1 TIP3 8049 11.053 39.074 -24.311 1.00 0.00 WAT +ATOM 30457 H2 TIP3 8049 10.633 37.625 -24.135 1.00 0.00 WAT +ATOM 30458 OH2 TIP3 8050 9.946 38.790 -17.904 1.00 0.00 WAT +ATOM 30459 H1 TIP3 8050 10.477 38.254 -17.297 1.00 0.00 WAT +ATOM 30460 H2 TIP3 8050 9.657 39.479 -17.270 1.00 0.00 WAT +ATOM 30461 OH2 TIP3 8051 -5.003 41.861 -13.754 1.00 0.00 WAT +ATOM 30462 H1 TIP3 8051 -4.899 42.032 -14.702 1.00 0.00 WAT +ATOM 30463 H2 TIP3 8051 -4.092 41.620 -13.488 1.00 0.00 WAT +ATOM 30464 OH2 TIP3 8052 10.996 41.596 -8.521 1.00 0.00 WAT +ATOM 30465 H1 TIP3 8052 11.726 41.013 -8.229 1.00 0.00 WAT +ATOM 30466 H2 TIP3 8052 11.426 42.437 -8.762 1.00 0.00 WAT +ATOM 30467 OH2 TIP3 8053 12.423 39.651 -7.339 1.00 0.00 WAT +ATOM 30468 H1 TIP3 8053 11.613 39.125 -7.514 1.00 0.00 WAT +ATOM 30469 H2 TIP3 8053 13.106 38.958 -7.303 1.00 0.00 WAT +ATOM 30470 OH2 TIP3 8054 10.276 35.783 -24.424 1.00 0.00 WAT +ATOM 30471 H1 TIP3 8054 10.871 35.262 -23.858 1.00 0.00 WAT +ATOM 30472 H2 TIP3 8054 9.489 35.224 -24.529 1.00 0.00 WAT +ATOM 30473 OH2 TIP3 8055 10.353 37.662 -14.107 1.00 0.00 WAT +ATOM 30474 H1 TIP3 8055 11.326 37.768 -14.051 1.00 0.00 WAT +ATOM 30475 H2 TIP3 8055 10.136 37.679 -13.159 1.00 0.00 WAT +ATOM 30476 OH2 TIP3 8056 10.512 38.369 -11.228 1.00 0.00 WAT +ATOM 30477 H1 TIP3 8056 9.655 38.753 -10.967 1.00 0.00 WAT +ATOM 30478 H2 TIP3 8056 11.024 39.172 -11.456 1.00 0.00 WAT +ATOM 30479 OH2 TIP3 8057 -5.006 37.162 -7.538 1.00 0.00 WAT +ATOM 30480 H1 TIP3 8057 -4.070 36.902 -7.499 1.00 0.00 WAT +ATOM 30481 H2 TIP3 8057 -5.450 36.299 -7.464 1.00 0.00 WAT +ATOM 30482 OH2 TIP3 8058 13.067 32.525 -5.921 1.00 0.00 WAT +ATOM 30483 H1 TIP3 8058 13.486 31.831 -6.465 1.00 0.00 WAT +ATOM 30484 H2 TIP3 8058 13.102 33.298 -6.516 1.00 0.00 WAT +ATOM 30485 OH2 TIP3 8059 10.171 34.934 -19.311 1.00 0.00 WAT +ATOM 30486 H1 TIP3 8059 10.649 34.500 -18.572 1.00 0.00 WAT +ATOM 30487 H2 TIP3 8059 9.813 34.153 -19.774 1.00 0.00 WAT +ATOM 30488 OH2 TIP3 8060 -4.215 35.472 -14.767 1.00 0.00 WAT +ATOM 30489 H1 TIP3 8060 -3.763 34.623 -14.637 1.00 0.00 WAT +ATOM 30490 H2 TIP3 8060 -3.559 36.089 -14.392 1.00 0.00 WAT +ATOM 30491 OH2 TIP3 8061 -5.664 38.132 -13.661 1.00 0.00 WAT +ATOM 30492 H1 TIP3 8061 -5.108 38.143 -14.457 1.00 0.00 WAT +ATOM 30493 H2 TIP3 8061 -5.367 38.937 -13.214 1.00 0.00 WAT +ATOM 30494 OH2 TIP3 8062 12.457 34.581 -7.682 1.00 0.00 WAT +ATOM 30495 H1 TIP3 8062 11.578 34.996 -7.620 1.00 0.00 WAT +ATOM 30496 H2 TIP3 8062 12.327 34.025 -8.472 1.00 0.00 WAT +ATOM 30497 OH2 TIP3 8063 12.525 34.730 -22.818 1.00 0.00 WAT +ATOM 30498 H1 TIP3 8063 12.864 33.950 -23.291 1.00 0.00 WAT +ATOM 30499 H2 TIP3 8063 13.326 35.275 -22.743 1.00 0.00 WAT +ATOM 30500 OH2 TIP3 8064 -5.177 34.505 -19.607 1.00 0.00 WAT +ATOM 30501 H1 TIP3 8064 -6.126 34.523 -19.824 1.00 0.00 WAT +ATOM 30502 H2 TIP3 8064 -4.785 35.093 -20.283 1.00 0.00 WAT +ATOM 30503 OH2 TIP3 8065 -5.166 33.307 -11.545 1.00 0.00 WAT +ATOM 30504 H1 TIP3 8065 -5.848 33.122 -10.883 1.00 0.00 WAT +ATOM 30505 H2 TIP3 8065 -5.649 33.914 -12.141 1.00 0.00 WAT +ATOM 30506 OH2 TIP3 8066 11.325 32.804 -9.699 1.00 0.00 WAT +ATOM 30507 H1 TIP3 8066 10.513 32.991 -10.201 1.00 0.00 WAT +ATOM 30508 H2 TIP3 8066 11.541 31.902 -10.017 1.00 0.00 WAT +ATOM 30509 OH2 TIP3 8067 4.701 34.198 -15.207 1.00 0.00 WAT +ATOM 30510 H1 TIP3 8067 3.977 33.552 -15.151 1.00 0.00 WAT +ATOM 30511 H2 TIP3 8067 5.312 33.759 -15.820 1.00 0.00 WAT +ATOM 30512 OH2 TIP3 8068 9.704 32.386 -14.767 1.00 0.00 WAT +ATOM 30513 H1 TIP3 8068 10.461 32.809 -15.201 1.00 0.00 WAT +ATOM 30514 H2 TIP3 8068 8.959 32.631 -15.336 1.00 0.00 WAT +ATOM 30515 OH2 TIP3 8069 11.668 33.531 -17.062 1.00 0.00 WAT +ATOM 30516 H1 TIP3 8069 12.396 32.998 -17.435 1.00 0.00 WAT +ATOM 30517 H2 TIP3 8069 12.128 34.373 -16.865 1.00 0.00 WAT +ATOM 30518 OH2 TIP3 8070 -2.715 32.610 -17.737 1.00 0.00 WAT +ATOM 30519 H1 TIP3 8070 -3.595 32.595 -18.166 1.00 0.00 WAT +ATOM 30520 H2 TIP3 8070 -2.460 31.687 -17.811 1.00 0.00 WAT +ATOM 30521 OH2 TIP3 8071 -4.052 32.484 -21.778 1.00 0.00 WAT +ATOM 30522 H1 TIP3 8071 -3.581 33.151 -22.314 1.00 0.00 WAT +ATOM 30523 H2 TIP3 8071 -4.517 33.039 -21.132 1.00 0.00 WAT +ATOM 30524 OH2 TIP3 8072 1.507 32.800 -17.835 1.00 0.00 WAT +ATOM 30525 H1 TIP3 8072 2.439 32.992 -18.011 1.00 0.00 WAT +ATOM 30526 H2 TIP3 8072 1.550 32.533 -16.908 1.00 0.00 WAT +ATOM 30527 OH2 TIP3 8073 7.116 32.895 -16.459 1.00 0.00 WAT +ATOM 30528 H1 TIP3 8073 7.463 32.623 -17.320 1.00 0.00 WAT +ATOM 30529 H2 TIP3 8073 6.775 32.045 -16.121 1.00 0.00 WAT +ATOM 30530 OH2 TIP3 8074 8.271 32.949 -20.396 1.00 0.00 WAT +ATOM 30531 H1 TIP3 8074 7.413 33.259 -20.715 1.00 0.00 WAT +ATOM 30532 H2 TIP3 8074 8.055 32.019 -20.192 1.00 0.00 WAT +ATOM 30533 OH2 TIP3 8075 -2.388 34.303 -23.350 1.00 0.00 WAT +ATOM 30534 H1 TIP3 8075 -1.764 33.781 -23.881 1.00 0.00 WAT +ATOM 30535 H2 TIP3 8075 -1.799 34.652 -22.654 1.00 0.00 WAT +ATOM 30536 OH2 TIP3 8076 2.761 34.500 -20.784 1.00 0.00 WAT +ATOM 30537 H1 TIP3 8076 3.044 33.944 -20.043 1.00 0.00 WAT +ATOM 30538 H2 TIP3 8076 2.882 35.382 -20.400 1.00 0.00 WAT +ATOM 30539 OH2 TIP3 8077 -3.096 33.226 -8.179 1.00 0.00 WAT +ATOM 30540 H1 TIP3 8077 -3.510 32.432 -7.797 1.00 0.00 WAT +ATOM 30541 H2 TIP3 8077 -2.185 33.125 -7.855 1.00 0.00 WAT +ATOM 30542 OH2 TIP3 8078 -0.737 32.632 -6.429 1.00 0.00 WAT +ATOM 30543 H1 TIP3 8078 0.091 32.273 -6.808 1.00 0.00 WAT +ATOM 30544 H2 TIP3 8078 -1.082 31.848 -5.968 1.00 0.00 WAT +ATOM 30545 OH2 TIP3 8079 7.402 31.741 -6.248 1.00 0.00 WAT +ATOM 30546 H1 TIP3 8079 7.432 31.325 -5.365 1.00 0.00 WAT +ATOM 30547 H2 TIP3 8079 8.343 31.710 -6.505 1.00 0.00 WAT +ATOM 30548 OH2 TIP3 8080 25.009 42.067 -17.647 1.00 0.00 WAT +ATOM 30549 H1 TIP3 8080 24.635 42.955 -17.593 1.00 0.00 WAT +ATOM 30550 H2 TIP3 8080 24.262 41.586 -18.032 1.00 0.00 WAT +ATOM 30551 OH2 TIP3 8081 23.821 41.305 -14.334 1.00 0.00 WAT +ATOM 30552 H1 TIP3 8081 23.819 40.812 -13.497 1.00 0.00 WAT +ATOM 30553 H2 TIP3 8081 23.516 40.642 -14.964 1.00 0.00 WAT +ATOM 30554 OH2 TIP3 8082 16.246 40.820 -12.703 1.00 0.00 WAT +ATOM 30555 H1 TIP3 8082 16.203 40.065 -12.089 1.00 0.00 WAT +ATOM 30556 H2 TIP3 8082 16.956 41.335 -12.297 1.00 0.00 WAT +ATOM 30557 OH2 TIP3 8083 13.888 38.790 -18.779 1.00 0.00 WAT +ATOM 30558 H1 TIP3 8083 13.542 39.699 -18.744 1.00 0.00 WAT +ATOM 30559 H2 TIP3 8083 13.205 38.337 -19.292 1.00 0.00 WAT +ATOM 30560 OH2 TIP3 8084 14.787 41.317 -17.002 1.00 0.00 WAT +ATOM 30561 H1 TIP3 8084 14.831 40.572 -16.374 1.00 0.00 WAT +ATOM 30562 H2 TIP3 8084 15.665 41.251 -17.395 1.00 0.00 WAT +ATOM 30563 OH2 TIP3 8085 30.939 35.277 -13.176 1.00 0.00 WAT +ATOM 30564 H1 TIP3 8085 31.209 35.805 -12.404 1.00 0.00 WAT +ATOM 30565 H2 TIP3 8085 31.608 35.553 -13.827 1.00 0.00 WAT +ATOM 30566 OH2 TIP3 8086 25.624 38.057 -13.272 1.00 0.00 WAT +ATOM 30567 H1 TIP3 8086 25.763 37.098 -13.199 1.00 0.00 WAT +ATOM 30568 H2 TIP3 8086 25.517 38.165 -14.230 1.00 0.00 WAT +ATOM 30569 OH2 TIP3 8087 18.580 36.056 -16.185 1.00 0.00 WAT +ATOM 30570 H1 TIP3 8087 18.722 36.911 -16.638 1.00 0.00 WAT +ATOM 30571 H2 TIP3 8087 18.229 35.531 -16.930 1.00 0.00 WAT +ATOM 30572 OH2 TIP3 8088 26.427 36.212 -17.890 1.00 0.00 WAT +ATOM 30573 H1 TIP3 8088 26.989 35.787 -17.205 1.00 0.00 WAT +ATOM 30574 H2 TIP3 8088 27.091 36.719 -18.377 1.00 0.00 WAT +ATOM 30575 OH2 TIP3 8089 15.226 38.746 -15.671 1.00 0.00 WAT +ATOM 30576 H1 TIP3 8089 15.892 38.321 -15.104 1.00 0.00 WAT +ATOM 30577 H2 TIP3 8089 15.370 38.282 -16.515 1.00 0.00 WAT +ATOM 30578 OH2 TIP3 8090 20.684 40.179 -16.205 1.00 0.00 WAT +ATOM 30579 H1 TIP3 8090 21.353 39.588 -15.801 1.00 0.00 WAT +ATOM 30580 H2 TIP3 8090 20.128 39.536 -16.685 1.00 0.00 WAT +ATOM 30581 OH2 TIP3 8091 31.690 36.607 -10.665 1.00 0.00 WAT +ATOM 30582 H1 TIP3 8091 31.063 37.311 -10.908 1.00 0.00 WAT +ATOM 30583 H2 TIP3 8091 31.575 36.587 -9.703 1.00 0.00 WAT +ATOM 30584 OH2 TIP3 8092 17.374 34.841 -12.038 1.00 0.00 WAT +ATOM 30585 H1 TIP3 8092 16.971 35.362 -12.749 1.00 0.00 WAT +ATOM 30586 H2 TIP3 8092 16.723 34.979 -11.321 1.00 0.00 WAT +ATOM 30587 OH2 TIP3 8093 20.103 42.659 -12.271 1.00 0.00 WAT +ATOM 30588 H1 TIP3 8093 19.293 43.177 -12.147 1.00 0.00 WAT +ATOM 30589 H2 TIP3 8093 20.753 43.376 -12.285 1.00 0.00 WAT +ATOM 30590 OH2 TIP3 8094 28.264 35.472 -15.843 1.00 0.00 WAT +ATOM 30591 H1 TIP3 8094 27.881 34.859 -15.201 1.00 0.00 WAT +ATOM 30592 H2 TIP3 8094 28.764 36.072 -15.261 1.00 0.00 WAT +ATOM 30593 OH2 TIP3 8095 16.971 36.899 -14.095 1.00 0.00 WAT +ATOM 30594 H1 TIP3 8095 17.613 37.461 -13.611 1.00 0.00 WAT +ATOM 30595 H2 TIP3 8095 17.556 36.530 -14.793 1.00 0.00 WAT +ATOM 30596 OH2 TIP3 8096 28.386 34.628 -11.996 1.00 0.00 WAT +ATOM 30597 H1 TIP3 8096 27.617 35.013 -12.455 1.00 0.00 WAT +ATOM 30598 H2 TIP3 8096 29.115 34.808 -12.619 1.00 0.00 WAT +ATOM 30599 OH2 TIP3 8097 21.513 32.340 -14.961 1.00 0.00 WAT +ATOM 30600 H1 TIP3 8097 21.300 31.389 -14.994 1.00 0.00 WAT +ATOM 30601 H2 TIP3 8097 20.694 32.713 -14.570 1.00 0.00 WAT +ATOM 30602 OH2 TIP3 8098 23.478 41.440 -20.209 1.00 0.00 WAT +ATOM 30603 H1 TIP3 8098 22.830 41.802 -20.828 1.00 0.00 WAT +ATOM 30604 H2 TIP3 8098 24.247 41.335 -20.795 1.00 0.00 WAT +ATOM 30605 OH2 TIP3 8099 23.894 39.422 -23.008 1.00 0.00 WAT +ATOM 30606 H1 TIP3 8099 24.635 39.788 -22.494 1.00 0.00 WAT +ATOM 30607 H2 TIP3 8099 24.369 38.918 -23.683 1.00 0.00 WAT +ATOM 30608 OH2 TIP3 8100 31.037 40.569 -11.979 1.00 0.00 WAT +ATOM 30609 H1 TIP3 8100 30.364 41.270 -11.838 1.00 0.00 WAT +ATOM 30610 H2 TIP3 8100 31.521 40.961 -12.732 1.00 0.00 WAT +ATOM 30611 OH2 TIP3 8101 27.240 41.396 -19.171 1.00 0.00 WAT +ATOM 30612 H1 TIP3 8101 26.552 41.618 -18.508 1.00 0.00 WAT +ATOM 30613 H2 TIP3 8101 27.860 40.866 -18.646 1.00 0.00 WAT +ATOM 30614 OH2 TIP3 8102 26.944 39.809 -10.267 1.00 0.00 WAT +ATOM 30615 H1 TIP3 8102 26.964 40.563 -9.657 1.00 0.00 WAT +ATOM 30616 H2 TIP3 8102 26.369 40.179 -10.961 1.00 0.00 WAT +ATOM 30617 OH2 TIP3 8103 18.764 42.081 -17.250 1.00 0.00 WAT +ATOM 30618 H1 TIP3 8103 18.549 41.812 -18.161 1.00 0.00 WAT +ATOM 30619 H2 TIP3 8103 19.541 41.532 -17.053 1.00 0.00 WAT +ATOM 30620 OH2 TIP3 8104 19.220 40.728 -13.890 1.00 0.00 WAT +ATOM 30621 H1 TIP3 8104 19.842 40.745 -14.643 1.00 0.00 WAT +ATOM 30622 H2 TIP3 8104 19.579 41.433 -13.308 1.00 0.00 WAT +ATOM 30623 OH2 TIP3 8105 26.039 40.734 -21.550 1.00 0.00 WAT +ATOM 30624 H1 TIP3 8105 26.599 41.006 -20.789 1.00 0.00 WAT +ATOM 30625 H2 TIP3 8105 26.490 41.215 -22.290 1.00 0.00 WAT +ATOM 30626 OH2 TIP3 8106 17.122 41.485 -10.002 1.00 0.00 WAT +ATOM 30627 H1 TIP3 8106 17.244 42.111 -9.251 1.00 0.00 WAT +ATOM 30628 H2 TIP3 8106 16.153 41.391 -9.993 1.00 0.00 WAT +ATOM 30629 OH2 TIP3 8107 29.518 32.469 -22.122 1.00 0.00 WAT +ATOM 30630 H1 TIP3 8107 28.638 32.556 -21.710 1.00 0.00 WAT +ATOM 30631 H2 TIP3 8107 29.857 33.375 -22.058 1.00 0.00 WAT +ATOM 30632 OH2 TIP3 8108 17.607 40.891 -19.742 1.00 0.00 WAT +ATOM 30633 H1 TIP3 8108 17.449 41.674 -20.309 1.00 0.00 WAT +ATOM 30634 H2 TIP3 8108 16.991 40.245 -20.107 1.00 0.00 WAT +ATOM 30635 OH2 TIP3 8109 13.561 43.076 -10.959 1.00 0.00 WAT +ATOM 30636 H1 TIP3 8109 13.587 42.920 -11.915 1.00 0.00 WAT +ATOM 30637 H2 TIP3 8109 13.910 42.237 -10.600 1.00 0.00 WAT +ATOM 30638 OH2 TIP3 8110 28.912 38.372 -7.926 1.00 0.00 WAT +ATOM 30639 H1 TIP3 8110 28.431 38.741 -8.679 1.00 0.00 WAT +ATOM 30640 H2 TIP3 8110 28.986 37.433 -8.189 1.00 0.00 WAT +ATOM 30641 OH2 TIP3 8111 19.095 33.485 -14.030 1.00 0.00 WAT +ATOM 30642 H1 TIP3 8111 18.270 33.422 -14.543 1.00 0.00 WAT +ATOM 30643 H2 TIP3 8111 18.866 34.213 -13.431 1.00 0.00 WAT +ATOM 30644 OH2 TIP3 8112 23.463 33.064 -10.389 1.00 0.00 WAT +ATOM 30645 H1 TIP3 8112 23.997 32.540 -9.759 1.00 0.00 WAT +ATOM 30646 H2 TIP3 8112 22.563 32.713 -10.257 1.00 0.00 WAT +ATOM 30647 OH2 TIP3 8113 26.604 36.854 -9.894 1.00 0.00 WAT +ATOM 30648 H1 TIP3 8113 26.025 36.697 -9.126 1.00 0.00 WAT +ATOM 30649 H2 TIP3 8113 26.546 37.815 -10.027 1.00 0.00 WAT +ATOM 30650 OH2 TIP3 8114 27.460 41.819 -23.582 1.00 0.00 WAT +ATOM 30651 H1 TIP3 8114 27.240 41.625 -24.511 1.00 0.00 WAT +ATOM 30652 H2 TIP3 8114 28.418 41.985 -23.675 1.00 0.00 WAT +ATOM 30653 OH2 TIP3 8115 23.278 35.569 -23.115 1.00 0.00 WAT +ATOM 30654 H1 TIP3 8115 22.775 35.439 -22.298 1.00 0.00 WAT +ATOM 30655 H2 TIP3 8115 22.861 34.902 -23.688 1.00 0.00 WAT +ATOM 30656 OH2 TIP3 8116 18.944 38.249 -12.608 1.00 0.00 WAT +ATOM 30657 H1 TIP3 8116 18.361 38.379 -11.841 1.00 0.00 WAT +ATOM 30658 H2 TIP3 8116 19.020 39.159 -12.971 1.00 0.00 WAT +ATOM 30659 OH2 TIP3 8117 18.895 38.348 -17.749 1.00 0.00 WAT +ATOM 30660 H1 TIP3 8117 17.938 38.267 -17.912 1.00 0.00 WAT +ATOM 30661 H2 TIP3 8117 19.244 38.152 -18.642 1.00 0.00 WAT +ATOM 30662 OH2 TIP3 8118 24.525 39.008 -18.933 1.00 0.00 WAT +ATOM 30663 H1 TIP3 8118 24.035 39.743 -19.345 1.00 0.00 WAT +ATOM 30664 H2 TIP3 8118 25.164 38.779 -19.629 1.00 0.00 WAT +ATOM 30665 OH2 TIP3 8119 23.693 39.206 -7.533 1.00 0.00 WAT +ATOM 30666 H1 TIP3 8119 23.199 38.428 -7.209 1.00 0.00 WAT +ATOM 30667 H2 TIP3 8119 24.582 39.048 -7.164 1.00 0.00 WAT +ATOM 30668 OH2 TIP3 8120 25.334 38.308 -16.200 1.00 0.00 WAT +ATOM 30669 H1 TIP3 8120 25.052 38.838 -16.970 1.00 0.00 WAT +ATOM 30670 H2 TIP3 8120 25.573 37.477 -16.655 1.00 0.00 WAT +ATOM 30671 OH2 TIP3 8121 16.336 38.402 -10.835 1.00 0.00 WAT +ATOM 30672 H1 TIP3 8121 16.548 38.791 -9.978 1.00 0.00 WAT +ATOM 30673 H2 TIP3 8121 15.981 37.533 -10.575 1.00 0.00 WAT +ATOM 30674 OH2 TIP3 8122 19.712 36.031 -24.219 1.00 0.00 WAT +ATOM 30675 H1 TIP3 8122 19.346 35.668 -23.387 1.00 0.00 WAT +ATOM 30676 H2 TIP3 8122 18.919 36.162 -24.753 1.00 0.00 WAT +ATOM 30677 OH2 TIP3 8123 13.110 35.891 -17.122 1.00 0.00 WAT +ATOM 30678 H1 TIP3 8123 13.730 35.912 -16.367 1.00 0.00 WAT +ATOM 30679 H2 TIP3 8123 13.661 35.549 -17.841 1.00 0.00 WAT +ATOM 30680 OH2 TIP3 8124 14.704 36.341 -21.388 1.00 0.00 WAT +ATOM 30681 H1 TIP3 8124 15.246 36.811 -22.056 1.00 0.00 WAT +ATOM 30682 H2 TIP3 8124 13.989 36.987 -21.248 1.00 0.00 WAT +ATOM 30683 OH2 TIP3 8125 24.324 39.967 -11.759 1.00 0.00 WAT +ATOM 30684 H1 TIP3 8125 24.864 39.299 -12.238 1.00 0.00 WAT +ATOM 30685 H2 TIP3 8125 24.050 39.455 -10.982 1.00 0.00 WAT +ATOM 30686 OH2 TIP3 8126 21.663 35.952 -16.713 1.00 0.00 WAT +ATOM 30687 H1 TIP3 8126 20.721 35.900 -16.478 1.00 0.00 WAT +ATOM 30688 H2 TIP3 8126 22.086 35.745 -15.861 1.00 0.00 WAT +ATOM 30689 OH2 TIP3 8127 16.201 37.156 -18.025 1.00 0.00 WAT +ATOM 30690 H1 TIP3 8127 15.419 37.437 -18.531 1.00 0.00 WAT +ATOM 30691 H2 TIP3 8127 16.529 36.381 -18.520 1.00 0.00 WAT +ATOM 30692 OH2 TIP3 8128 19.862 37.509 -20.357 1.00 0.00 WAT +ATOM 30693 H1 TIP3 8128 20.831 37.582 -20.308 1.00 0.00 WAT +ATOM 30694 H2 TIP3 8128 19.619 38.099 -21.091 1.00 0.00 WAT +ATOM 30695 OH2 TIP3 8129 26.044 35.089 -13.700 1.00 0.00 WAT +ATOM 30696 H1 TIP3 8129 25.415 35.086 -12.946 1.00 0.00 WAT +ATOM 30697 H2 TIP3 8129 25.465 34.741 -14.399 1.00 0.00 WAT +ATOM 30698 OH2 TIP3 8130 18.301 38.767 -22.579 1.00 0.00 WAT +ATOM 30699 H1 TIP3 8130 17.741 38.444 -23.300 1.00 0.00 WAT +ATOM 30700 H2 TIP3 8130 19.124 38.966 -23.060 1.00 0.00 WAT +ATOM 30701 OH2 TIP3 8131 17.259 43.161 -7.929 1.00 0.00 WAT +ATOM 30702 H1 TIP3 8131 17.803 43.646 -7.275 1.00 0.00 WAT +ATOM 30703 H2 TIP3 8131 16.436 43.036 -7.404 1.00 0.00 WAT +ATOM 30704 OH2 TIP3 8132 22.662 38.501 -14.894 1.00 0.00 WAT +ATOM 30705 H1 TIP3 8132 23.417 38.076 -15.328 1.00 0.00 WAT +ATOM 30706 H2 TIP3 8132 22.514 37.907 -14.130 1.00 0.00 WAT +ATOM 30707 OH2 TIP3 8133 17.966 34.904 -18.728 1.00 0.00 WAT +ATOM 30708 H1 TIP3 8133 17.430 34.109 -18.573 1.00 0.00 WAT +ATOM 30709 H2 TIP3 8133 18.783 34.532 -19.091 1.00 0.00 WAT +ATOM 30710 OH2 TIP3 8134 21.653 36.950 -12.661 1.00 0.00 WAT +ATOM 30711 H1 TIP3 8134 20.872 37.526 -12.618 1.00 0.00 WAT +ATOM 30712 H2 TIP3 8134 22.155 37.196 -11.860 1.00 0.00 WAT +ATOM 30713 OH2 TIP3 8135 21.362 43.656 -20.515 1.00 0.00 WAT +ATOM 30714 H1 TIP3 8135 20.953 43.003 -21.115 1.00 0.00 WAT +ATOM 30715 H2 TIP3 8135 21.852 43.133 -19.878 1.00 0.00 WAT +ATOM 30716 OH2 TIP3 8136 29.278 42.667 -12.078 1.00 0.00 WAT +ATOM 30717 H1 TIP3 8136 29.497 43.111 -12.917 1.00 0.00 WAT +ATOM 30718 H2 TIP3 8136 28.321 42.552 -12.228 1.00 0.00 WAT +ATOM 30719 OH2 TIP3 8137 25.949 36.177 -22.986 1.00 0.00 WAT +ATOM 30720 H1 TIP3 8137 24.966 36.130 -23.016 1.00 0.00 WAT +ATOM 30721 H2 TIP3 8137 26.120 36.888 -22.338 1.00 0.00 WAT +ATOM 30722 OH2 TIP3 8138 26.647 37.969 -20.896 1.00 0.00 WAT +ATOM 30723 H1 TIP3 8138 27.526 37.822 -20.496 1.00 0.00 WAT +ATOM 30724 H2 TIP3 8138 26.753 38.833 -21.331 1.00 0.00 WAT +ATOM 30725 OH2 TIP3 8139 17.060 42.362 -15.159 1.00 0.00 WAT +ATOM 30726 H1 TIP3 8139 17.768 42.351 -15.839 1.00 0.00 WAT +ATOM 30727 H2 TIP3 8139 17.330 41.621 -14.591 1.00 0.00 WAT +ATOM 30728 OH2 TIP3 8140 14.278 40.776 -9.713 1.00 0.00 WAT +ATOM 30729 H1 TIP3 8140 14.358 40.435 -8.801 1.00 0.00 WAT +ATOM 30730 H2 TIP3 8140 13.502 40.305 -10.056 1.00 0.00 WAT +ATOM 30731 OH2 TIP3 8141 21.148 40.497 -7.663 1.00 0.00 WAT +ATOM 30732 H1 TIP3 8141 20.818 40.271 -8.547 1.00 0.00 WAT +ATOM 30733 H2 TIP3 8141 22.093 40.271 -7.748 1.00 0.00 WAT +ATOM 30734 OH2 TIP3 8142 31.196 37.938 -21.197 1.00 0.00 WAT +ATOM 30735 H1 TIP3 8142 30.657 37.774 -21.997 1.00 0.00 WAT +ATOM 30736 H2 TIP3 8142 31.362 38.888 -21.300 1.00 0.00 WAT +ATOM 30737 OH2 TIP3 8143 26.700 41.803 -13.453 1.00 0.00 WAT +ATOM 30738 H1 TIP3 8143 25.773 41.775 -13.740 1.00 0.00 WAT +ATOM 30739 H2 TIP3 8143 27.158 41.301 -14.142 1.00 0.00 WAT +ATOM 30740 OH2 TIP3 8144 15.229 40.939 -23.135 1.00 0.00 WAT +ATOM 30741 H1 TIP3 8144 15.821 41.549 -22.668 1.00 0.00 WAT +ATOM 30742 H2 TIP3 8144 14.378 41.120 -22.687 1.00 0.00 WAT +ATOM 30743 OH2 TIP3 8145 15.497 35.648 -10.038 1.00 0.00 WAT +ATOM 30744 H1 TIP3 8145 14.588 35.892 -10.300 1.00 0.00 WAT +ATOM 30745 H2 TIP3 8145 15.357 34.776 -9.628 1.00 0.00 WAT +ATOM 30746 OH2 TIP3 8146 16.992 -43.871 -21.300 1.00 0.00 WAT +ATOM 30747 H1 TIP3 8146 16.091 -43.524 -21.140 1.00 0.00 WAT +ATOM 30748 H2 TIP3 8146 17.453 -43.052 -21.537 1.00 0.00 WAT +ATOM 30749 OH2 TIP3 8147 24.458 35.492 -11.500 1.00 0.00 WAT +ATOM 30750 H1 TIP3 8147 25.085 35.768 -10.813 1.00 0.00 WAT +ATOM 30751 H2 TIP3 8147 23.986 34.748 -11.075 1.00 0.00 WAT +ATOM 30752 OH2 TIP3 8148 25.104 34.923 -20.234 1.00 0.00 WAT +ATOM 30753 H1 TIP3 8148 25.288 35.452 -21.024 1.00 0.00 WAT +ATOM 30754 H2 TIP3 8148 25.572 35.418 -19.539 1.00 0.00 WAT +ATOM 30755 OH2 TIP3 8149 22.524 36.937 -19.288 1.00 0.00 WAT +ATOM 30756 H1 TIP3 8149 23.296 37.508 -19.117 1.00 0.00 WAT +ATOM 30757 H2 TIP3 8149 22.218 36.743 -18.380 1.00 0.00 WAT +ATOM 30758 OH2 TIP3 8150 22.925 37.916 -10.116 1.00 0.00 WAT +ATOM 30759 H1 TIP3 8150 22.967 38.396 -9.274 1.00 0.00 WAT +ATOM 30760 H2 TIP3 8150 23.401 37.103 -9.897 1.00 0.00 WAT +ATOM 30761 OH2 TIP3 8151 23.091 33.935 -18.364 1.00 0.00 WAT +ATOM 30762 H1 TIP3 8151 22.917 34.608 -17.679 1.00 0.00 WAT +ATOM 30763 H2 TIP3 8151 23.834 34.345 -18.851 1.00 0.00 WAT +ATOM 30764 OH2 TIP3 8152 18.834 34.946 -21.831 1.00 0.00 WAT +ATOM 30765 H1 TIP3 8152 18.859 35.701 -21.218 1.00 0.00 WAT +ATOM 30766 H2 TIP3 8152 19.640 34.461 -21.561 1.00 0.00 WAT +ATOM 30767 OH2 TIP3 8153 29.148 35.853 -9.234 1.00 0.00 WAT +ATOM 30768 H1 TIP3 8153 28.193 35.957 -9.414 1.00 0.00 WAT +ATOM 30769 H2 TIP3 8153 29.439 35.605 -10.124 1.00 0.00 WAT +ATOM 30770 OH2 TIP3 8154 27.773 39.674 -15.470 1.00 0.00 WAT +ATOM 30771 H1 TIP3 8154 26.905 39.250 -15.580 1.00 0.00 WAT +ATOM 30772 H2 TIP3 8154 28.226 39.034 -14.878 1.00 0.00 WAT +ATOM 30773 OH2 TIP3 8155 15.343 37.988 -23.588 1.00 0.00 WAT +ATOM 30774 H1 TIP3 8155 15.505 38.934 -23.438 1.00 0.00 WAT +ATOM 30775 H2 TIP3 8155 14.526 38.001 -24.102 1.00 0.00 WAT +ATOM 30776 OH2 TIP3 8156 16.300 33.041 -14.855 1.00 0.00 WAT +ATOM 30777 H1 TIP3 8156 16.115 33.007 -15.814 1.00 0.00 WAT +ATOM 30778 H2 TIP3 8156 15.977 32.174 -14.543 1.00 0.00 WAT +ATOM 30779 OH2 TIP3 8157 14.816 43.060 -6.833 1.00 0.00 WAT +ATOM 30780 H1 TIP3 8157 14.555 42.128 -6.736 1.00 0.00 WAT +ATOM 30781 H2 TIP3 8157 13.997 43.534 -7.004 1.00 0.00 WAT +ATOM 30782 OH2 TIP3 8158 20.701 43.288 -7.265 1.00 0.00 WAT +ATOM 30783 H1 TIP3 8158 20.711 43.451 -8.228 1.00 0.00 WAT +ATOM 30784 H2 TIP3 8158 21.051 42.377 -7.220 1.00 0.00 WAT +ATOM 30785 OH2 TIP3 8159 26.722 -43.762 -9.539 1.00 0.00 WAT +ATOM 30786 H1 TIP3 8159 27.511 -43.294 -9.845 1.00 0.00 WAT +ATOM 30787 H2 TIP3 8159 26.034 -43.104 -9.698 1.00 0.00 WAT +ATOM 30788 OH2 TIP3 8160 15.372 40.220 -7.080 1.00 0.00 WAT +ATOM 30789 H1 TIP3 8160 16.159 39.652 -7.138 1.00 0.00 WAT +ATOM 30790 H2 TIP3 8160 15.385 40.454 -6.134 1.00 0.00 WAT +ATOM 30791 OH2 TIP3 8161 19.978 41.599 -21.960 1.00 0.00 WAT +ATOM 30792 H1 TIP3 8161 19.287 41.193 -21.422 1.00 0.00 WAT +ATOM 30793 H2 TIP3 8161 20.104 40.936 -22.666 1.00 0.00 WAT +ATOM 30794 OH2 TIP3 8162 19.102 39.325 -9.688 1.00 0.00 WAT +ATOM 30795 H1 TIP3 8162 18.536 40.095 -9.497 1.00 0.00 WAT +ATOM 30796 H2 TIP3 8162 19.741 39.704 -10.316 1.00 0.00 WAT +ATOM 30797 OH2 TIP3 8163 20.778 39.568 -23.730 1.00 0.00 WAT +ATOM 30798 H1 TIP3 8163 20.749 39.706 -24.695 1.00 0.00 WAT +ATOM 30799 H2 TIP3 8163 21.738 39.566 -23.563 1.00 0.00 WAT +ATOM 30800 OH2 TIP3 8164 24.382 42.156 -6.145 1.00 0.00 WAT +ATOM 30801 H1 TIP3 8164 25.264 41.953 -6.477 1.00 0.00 WAT +ATOM 30802 H2 TIP3 8164 24.052 41.295 -5.875 1.00 0.00 WAT +ATOM 30803 OH2 TIP3 8165 30.005 41.908 -24.468 1.00 0.00 WAT +ATOM 30804 H1 TIP3 8165 29.994 41.740 -25.426 1.00 0.00 WAT +ATOM 30805 H2 TIP3 8165 30.250 42.855 -24.422 1.00 0.00 WAT +ATOM 30806 OH2 TIP3 8166 19.668 36.629 -8.560 1.00 0.00 WAT +ATOM 30807 H1 TIP3 8166 19.733 35.973 -9.278 1.00 0.00 WAT +ATOM 30808 H2 TIP3 8166 19.458 37.441 -9.055 1.00 0.00 WAT +ATOM 30809 OH2 TIP3 8167 19.998 35.104 -11.116 1.00 0.00 WAT +ATOM 30810 H1 TIP3 8167 20.520 35.624 -11.756 1.00 0.00 WAT +ATOM 30811 H2 TIP3 8167 19.089 35.145 -11.477 1.00 0.00 WAT +ATOM 30812 OH2 TIP3 8168 21.487 40.655 -10.811 1.00 0.00 WAT +ATOM 30813 H1 TIP3 8168 22.340 40.541 -11.262 1.00 0.00 WAT +ATOM 30814 H2 TIP3 8168 21.157 41.483 -11.201 1.00 0.00 WAT +ATOM 30815 OH2 TIP3 8169 26.145 38.488 -5.923 1.00 0.00 WAT +ATOM 30816 H1 TIP3 8169 26.350 37.546 -5.816 1.00 0.00 WAT +ATOM 30817 H2 TIP3 8169 27.037 38.866 -5.977 1.00 0.00 WAT +ATOM 30818 OH2 TIP3 8170 27.079 41.360 -7.584 1.00 0.00 WAT +ATOM 30819 H1 TIP3 8170 26.864 42.081 -8.219 1.00 0.00 WAT +ATOM 30820 H2 TIP3 8170 27.994 41.164 -7.850 1.00 0.00 WAT +ATOM 30821 OH2 TIP3 8171 17.814 38.511 -6.776 1.00 0.00 WAT +ATOM 30822 H1 TIP3 8171 17.315 37.673 -6.777 1.00 0.00 WAT +ATOM 30823 H2 TIP3 8171 18.644 38.243 -7.198 1.00 0.00 WAT +ATOM 30824 OH2 TIP3 8172 20.714 32.431 -10.752 1.00 0.00 WAT +ATOM 30825 H1 TIP3 8172 20.544 33.383 -10.920 1.00 0.00 WAT +ATOM 30826 H2 TIP3 8172 20.018 32.013 -11.293 1.00 0.00 WAT +ATOM 30827 OH2 TIP3 8173 21.990 37.013 -6.979 1.00 0.00 WAT +ATOM 30828 H1 TIP3 8173 21.644 36.810 -6.093 1.00 0.00 WAT +ATOM 30829 H2 TIP3 8173 21.191 36.814 -7.512 1.00 0.00 WAT +ATOM 30830 OH2 TIP3 8174 24.514 36.068 -8.103 1.00 0.00 WAT +ATOM 30831 H1 TIP3 8174 23.638 36.110 -7.677 1.00 0.00 WAT +ATOM 30832 H2 TIP3 8174 24.985 35.430 -7.530 1.00 0.00 WAT +ATOM 30833 OH2 TIP3 8175 26.337 34.550 -6.393 1.00 0.00 WAT +ATOM 30834 H1 TIP3 8175 26.227 33.590 -6.238 1.00 0.00 WAT +ATOM 30835 H2 TIP3 8175 26.188 34.938 -5.512 1.00 0.00 WAT +ATOM 30836 OH2 TIP3 8176 16.538 35.941 -6.924 1.00 0.00 WAT +ATOM 30837 H1 TIP3 8176 16.459 35.239 -7.589 1.00 0.00 WAT +ATOM 30838 H2 TIP3 8176 16.312 35.461 -6.105 1.00 0.00 WAT +ATOM 30839 OH2 TIP3 8177 20.560 31.915 -7.939 1.00 0.00 WAT +ATOM 30840 H1 TIP3 8177 21.163 31.155 -7.893 1.00 0.00 WAT +ATOM 30841 H2 TIP3 8177 20.533 32.067 -8.905 1.00 0.00 WAT +ATOM 30842 OH2 TIP3 8178 21.493 33.780 -6.072 1.00 0.00 WAT +ATOM 30843 H1 TIP3 8178 21.207 33.194 -6.802 1.00 0.00 WAT +ATOM 30844 H2 TIP3 8178 20.810 34.468 -6.075 1.00 0.00 WAT +ATOM 30845 OH2 TIP3 8179 31.375 41.311 -21.690 1.00 0.00 WAT +ATOM 30846 H1 TIP3 8179 30.852 40.996 -22.450 1.00 0.00 WAT +ATOM 30847 H2 TIP3 8179 31.064 42.242 -21.707 1.00 0.00 WAT +ATOM 30848 OH2 TIP3 8180 29.773 38.463 -23.615 1.00 0.00 WAT +ATOM 30849 H1 TIP3 8180 29.917 39.038 -24.380 1.00 0.00 WAT +ATOM 30850 H2 TIP3 8180 29.474 37.631 -24.040 1.00 0.00 WAT +ATOM 30851 OH2 TIP3 8181 29.480 39.870 -17.814 1.00 0.00 WAT +ATOM 30852 H1 TIP3 8181 29.315 38.927 -17.975 1.00 0.00 WAT +ATOM 30853 H2 TIP3 8181 29.048 39.985 -16.942 1.00 0.00 WAT +ATOM 30854 OH2 TIP3 8182 13.868 41.869 -13.750 1.00 0.00 WAT +ATOM 30855 H1 TIP3 8182 13.968 42.038 -14.698 1.00 0.00 WAT +ATOM 30856 H2 TIP3 8182 14.777 41.609 -13.491 1.00 0.00 WAT +ATOM 30857 OH2 TIP3 8183 29.866 41.602 -8.526 1.00 0.00 WAT +ATOM 30858 H1 TIP3 8183 30.581 40.988 -8.259 1.00 0.00 WAT +ATOM 30859 H2 TIP3 8183 30.318 42.443 -8.711 1.00 0.00 WAT +ATOM 30860 OH2 TIP3 8184 31.276 39.635 -7.338 1.00 0.00 WAT +ATOM 30861 H1 TIP3 8184 30.482 39.091 -7.525 1.00 0.00 WAT +ATOM 30862 H2 TIP3 8184 31.977 38.958 -7.315 1.00 0.00 WAT +ATOM 30863 OH2 TIP3 8185 29.142 35.823 -24.376 1.00 0.00 WAT +ATOM 30864 H1 TIP3 8185 29.742 35.286 -23.829 1.00 0.00 WAT +ATOM 30865 H2 TIP3 8185 28.365 35.255 -24.491 1.00 0.00 WAT +ATOM 30866 OH2 TIP3 8186 29.031 37.213 -19.391 1.00 0.00 WAT +ATOM 30867 H1 TIP3 8186 29.191 36.251 -19.285 1.00 0.00 WAT +ATOM 30868 H2 TIP3 8186 29.831 37.461 -19.888 1.00 0.00 WAT +ATOM 30869 OH2 TIP3 8187 29.202 37.716 -14.046 1.00 0.00 WAT +ATOM 30870 H1 TIP3 8187 30.179 37.784 -14.029 1.00 0.00 WAT +ATOM 30871 H2 TIP3 8187 29.023 37.707 -13.090 1.00 0.00 WAT +ATOM 30872 OH2 TIP3 8188 29.374 38.377 -11.206 1.00 0.00 WAT +ATOM 30873 H1 TIP3 8188 28.508 38.752 -10.961 1.00 0.00 WAT +ATOM 30874 H2 TIP3 8188 29.881 39.178 -11.442 1.00 0.00 WAT +ATOM 30875 OH2 TIP3 8189 13.847 37.156 -7.537 1.00 0.00 WAT +ATOM 30876 H1 TIP3 8189 14.785 36.903 -7.507 1.00 0.00 WAT +ATOM 30877 H2 TIP3 8189 13.410 36.289 -7.464 1.00 0.00 WAT +ATOM 30878 OH2 TIP3 8190 31.907 32.499 -5.929 1.00 0.00 WAT +ATOM 30879 H1 TIP3 8190 32.334 31.819 -6.485 1.00 0.00 WAT +ATOM 30880 H2 TIP3 8190 31.964 33.288 -6.503 1.00 0.00 WAT +ATOM 30881 OH2 TIP3 8191 29.417 34.349 -19.485 1.00 0.00 WAT +ATOM 30882 H1 TIP3 8191 29.568 33.979 -18.594 1.00 0.00 WAT +ATOM 30883 H2 TIP3 8191 28.642 33.826 -19.775 1.00 0.00 WAT +ATOM 30884 OH2 TIP3 8192 14.631 35.469 -14.745 1.00 0.00 WAT +ATOM 30885 H1 TIP3 8192 15.093 34.617 -14.654 1.00 0.00 WAT +ATOM 30886 H2 TIP3 8192 15.310 36.079 -14.399 1.00 0.00 WAT +ATOM 30887 OH2 TIP3 8193 13.160 38.151 -13.711 1.00 0.00 WAT +ATOM 30888 H1 TIP3 8193 13.803 38.147 -14.441 1.00 0.00 WAT +ATOM 30889 H2 TIP3 8193 13.467 38.912 -13.199 1.00 0.00 WAT +ATOM 30890 OH2 TIP3 8194 31.298 34.568 -7.660 1.00 0.00 WAT +ATOM 30891 H1 TIP3 8194 30.424 34.998 -7.652 1.00 0.00 WAT +ATOM 30892 H2 TIP3 8194 31.211 34.023 -8.463 1.00 0.00 WAT +ATOM 30893 OH2 TIP3 8195 31.417 34.769 -22.835 1.00 0.00 WAT +ATOM 30894 H1 TIP3 8195 31.705 33.946 -23.267 1.00 0.00 WAT +ATOM 30895 H2 TIP3 8195 32.251 35.261 -22.765 1.00 0.00 WAT +ATOM 30896 OH2 TIP3 8196 13.494 34.470 -19.727 1.00 0.00 WAT +ATOM 30897 H1 TIP3 8196 12.610 34.796 -19.930 1.00 0.00 WAT +ATOM 30898 H2 TIP3 8196 14.056 35.056 -20.270 1.00 0.00 WAT +ATOM 30899 OH2 TIP3 8197 13.716 33.379 -11.484 1.00 0.00 WAT +ATOM 30900 H1 TIP3 8197 13.015 33.091 -10.884 1.00 0.00 WAT +ATOM 30901 H2 TIP3 8197 13.206 33.882 -12.143 1.00 0.00 WAT +ATOM 30902 OH2 TIP3 8198 30.155 32.787 -9.684 1.00 0.00 WAT +ATOM 30903 H1 TIP3 8198 29.363 32.964 -10.219 1.00 0.00 WAT +ATOM 30904 H2 TIP3 8198 30.404 31.893 -10.001 1.00 0.00 WAT +ATOM 30905 OH2 TIP3 8199 23.592 34.305 -15.254 1.00 0.00 WAT +ATOM 30906 H1 TIP3 8199 22.910 33.625 -15.092 1.00 0.00 WAT +ATOM 30907 H2 TIP3 8199 24.217 33.825 -15.822 1.00 0.00 WAT +ATOM 30908 OH2 TIP3 8200 28.541 32.346 -14.764 1.00 0.00 WAT +ATOM 30909 H1 TIP3 8200 29.322 32.761 -15.165 1.00 0.00 WAT +ATOM 30910 H2 TIP3 8200 27.817 32.626 -15.345 1.00 0.00 WAT +ATOM 30911 OH2 TIP3 8201 30.603 33.446 -16.977 1.00 0.00 WAT +ATOM 30912 H1 TIP3 8201 31.352 32.987 -17.399 1.00 0.00 WAT +ATOM 30913 H2 TIP3 8201 30.960 34.329 -16.797 1.00 0.00 WAT +ATOM 30914 OH2 TIP3 8202 15.926 33.011 -17.695 1.00 0.00 WAT +ATOM 30915 H1 TIP3 8202 15.060 32.826 -18.108 1.00 0.00 WAT +ATOM 30916 H2 TIP3 8202 16.375 32.153 -17.817 1.00 0.00 WAT +ATOM 30917 OH2 TIP3 8203 14.761 32.503 -21.784 1.00 0.00 WAT +ATOM 30918 H1 TIP3 8203 15.279 33.157 -22.291 1.00 0.00 WAT +ATOM 30919 H2 TIP3 8203 14.323 33.059 -21.118 1.00 0.00 WAT +ATOM 30920 OH2 TIP3 8204 20.413 32.846 -17.797 1.00 0.00 WAT +ATOM 30921 H1 TIP3 8204 21.330 33.134 -17.945 1.00 0.00 WAT +ATOM 30922 H2 TIP3 8204 20.404 32.749 -16.836 1.00 0.00 WAT +ATOM 30923 OH2 TIP3 8205 25.987 32.891 -16.409 1.00 0.00 WAT +ATOM 30924 H1 TIP3 8205 26.295 32.692 -17.303 1.00 0.00 WAT +ATOM 30925 H2 TIP3 8205 25.635 32.026 -16.126 1.00 0.00 WAT +ATOM 30926 OH2 TIP3 8206 27.129 32.882 -20.414 1.00 0.00 WAT +ATOM 30927 H1 TIP3 8206 26.299 33.380 -20.538 1.00 0.00 WAT +ATOM 30928 H2 TIP3 8206 26.787 31.986 -20.252 1.00 0.00 WAT +ATOM 30929 OH2 TIP3 8207 16.468 34.317 -23.343 1.00 0.00 WAT +ATOM 30930 H1 TIP3 8207 17.072 33.770 -23.873 1.00 0.00 WAT +ATOM 30931 H2 TIP3 8207 17.079 34.654 -22.658 1.00 0.00 WAT +ATOM 30932 OH2 TIP3 8208 21.572 34.508 -20.748 1.00 0.00 WAT +ATOM 30933 H1 TIP3 8208 21.927 33.933 -20.052 1.00 0.00 WAT +ATOM 30934 H2 TIP3 8208 21.766 35.378 -20.365 1.00 0.00 WAT +ATOM 30935 OH2 TIP3 8209 15.745 33.244 -8.148 1.00 0.00 WAT +ATOM 30936 H1 TIP3 8209 15.347 32.428 -7.795 1.00 0.00 WAT +ATOM 30937 H2 TIP3 8209 16.671 33.122 -7.884 1.00 0.00 WAT +ATOM 30938 OH2 TIP3 8210 18.136 32.637 -6.406 1.00 0.00 WAT +ATOM 30939 H1 TIP3 8210 18.954 32.289 -6.815 1.00 0.00 WAT +ATOM 30940 H2 TIP3 8210 17.782 31.835 -5.987 1.00 0.00 WAT +ATOM 30941 OH2 TIP3 8211 26.260 31.752 -6.233 1.00 0.00 WAT +ATOM 30942 H1 TIP3 8211 26.312 31.331 -5.355 1.00 0.00 WAT +ATOM 30943 H2 TIP3 8211 27.192 31.706 -6.521 1.00 0.00 WAT +ATOM 30944 OH2 TIP3 8212 41.940 41.054 -14.120 1.00 0.00 WAT +ATOM 30945 H1 TIP3 8212 42.757 41.263 -13.640 1.00 0.00 WAT +ATOM 30946 H2 TIP3 8212 42.265 40.801 -14.990 1.00 0.00 WAT +ATOM 30947 OH2 TIP3 8213 35.092 40.854 -12.708 1.00 0.00 WAT +ATOM 30948 H1 TIP3 8213 35.036 40.074 -12.126 1.00 0.00 WAT +ATOM 30949 H2 TIP3 8213 35.808 41.333 -12.265 1.00 0.00 WAT +ATOM 30950 OH2 TIP3 8214 32.517 39.170 -18.946 1.00 0.00 WAT +ATOM 30951 H1 TIP3 8214 31.879 39.526 -18.324 1.00 0.00 WAT +ATOM 30952 H2 TIP3 8214 32.118 38.316 -19.159 1.00 0.00 WAT +ATOM 30953 OH2 TIP3 8215 33.385 41.518 -17.348 1.00 0.00 WAT +ATOM 30954 H1 TIP3 8215 33.203 40.822 -16.690 1.00 0.00 WAT +ATOM 30955 H2 TIP3 8215 34.353 41.428 -17.350 1.00 0.00 WAT +ATOM 30956 OH2 TIP3 8216 37.442 36.073 -16.191 1.00 0.00 WAT +ATOM 30957 H1 TIP3 8216 37.577 36.929 -16.643 1.00 0.00 WAT +ATOM 30958 H2 TIP3 8216 37.094 35.539 -16.929 1.00 0.00 WAT +ATOM 30959 OH2 TIP3 8217 34.060 38.816 -15.711 1.00 0.00 WAT +ATOM 30960 H1 TIP3 8217 34.716 38.429 -15.106 1.00 0.00 WAT +ATOM 30961 H2 TIP3 8217 34.248 38.321 -16.525 1.00 0.00 WAT +ATOM 30962 OH2 TIP3 8218 39.529 40.152 -16.194 1.00 0.00 WAT +ATOM 30963 H1 TIP3 8218 40.262 39.598 -15.844 1.00 0.00 WAT +ATOM 30964 H2 TIP3 8218 38.997 39.476 -16.650 1.00 0.00 WAT +ATOM 30965 OH2 TIP3 8219 36.278 34.851 -12.040 1.00 0.00 WAT +ATOM 30966 H1 TIP3 8219 35.846 35.365 -12.736 1.00 0.00 WAT +ATOM 30967 H2 TIP3 8219 35.613 34.935 -11.322 1.00 0.00 WAT +ATOM 30968 OH2 TIP3 8220 38.901 42.662 -12.216 1.00 0.00 WAT +ATOM 30969 H1 TIP3 8220 38.111 43.218 -12.173 1.00 0.00 WAT +ATOM 30970 H2 TIP3 8220 39.599 43.331 -12.198 1.00 0.00 WAT +ATOM 30971 OH2 TIP3 8221 35.824 36.933 -14.106 1.00 0.00 WAT +ATOM 30972 H1 TIP3 8221 36.477 37.470 -13.607 1.00 0.00 WAT +ATOM 30973 H2 TIP3 8221 36.413 36.535 -14.783 1.00 0.00 WAT +ATOM 30974 OH2 TIP3 8222 40.429 32.309 -14.900 1.00 0.00 WAT +ATOM 30975 H1 TIP3 8222 40.149 31.374 -14.890 1.00 0.00 WAT +ATOM 30976 H2 TIP3 8222 39.636 32.744 -14.520 1.00 0.00 WAT +ATOM 30977 OH2 TIP3 8223 42.647 41.258 -20.265 1.00 0.00 WAT +ATOM 30978 H1 TIP3 8223 41.972 41.920 -20.504 1.00 0.00 WAT +ATOM 30979 H2 TIP3 8223 43.291 41.408 -20.957 1.00 0.00 WAT +ATOM 30980 OH2 TIP3 8224 42.853 39.565 -22.964 1.00 0.00 WAT +ATOM 30981 H1 TIP3 8224 43.724 39.622 -22.546 1.00 0.00 WAT +ATOM 30982 H2 TIP3 8224 42.972 38.928 -23.674 1.00 0.00 WAT +ATOM 30983 OH2 TIP3 8225 37.650 42.116 -17.287 1.00 0.00 WAT +ATOM 30984 H1 TIP3 8225 37.417 41.732 -18.152 1.00 0.00 WAT +ATOM 30985 H2 TIP3 8225 38.381 41.538 -17.003 1.00 0.00 WAT +ATOM 30986 OH2 TIP3 8226 38.031 40.815 -13.940 1.00 0.00 WAT +ATOM 30987 H1 TIP3 8226 38.725 40.728 -14.625 1.00 0.00 WAT +ATOM 30988 H2 TIP3 8226 38.442 41.450 -13.315 1.00 0.00 WAT +ATOM 30989 OH2 TIP3 8227 35.974 41.523 -10.026 1.00 0.00 WAT +ATOM 30990 H1 TIP3 8227 36.099 42.124 -9.255 1.00 0.00 WAT +ATOM 30991 H2 TIP3 8227 35.008 41.416 -10.001 1.00 0.00 WAT +ATOM 30992 OH2 TIP3 8228 36.458 40.904 -19.734 1.00 0.00 WAT +ATOM 30993 H1 TIP3 8228 36.309 41.656 -20.344 1.00 0.00 WAT +ATOM 30994 H2 TIP3 8228 35.881 40.218 -20.091 1.00 0.00 WAT +ATOM 30995 OH2 TIP3 8229 32.619 43.121 -11.005 1.00 0.00 WAT +ATOM 30996 H1 TIP3 8229 32.382 42.860 -11.904 1.00 0.00 WAT +ATOM 30997 H2 TIP3 8229 32.788 42.260 -10.571 1.00 0.00 WAT +ATOM 30998 OH2 TIP3 8230 37.981 33.508 -14.064 1.00 0.00 WAT +ATOM 30999 H1 TIP3 8230 37.137 33.409 -14.539 1.00 0.00 WAT +ATOM 31000 H2 TIP3 8230 37.736 34.200 -13.428 1.00 0.00 WAT +ATOM 31001 OH2 TIP3 8231 42.345 32.843 -9.774 1.00 0.00 WAT +ATOM 31002 H1 TIP3 8231 42.439 32.124 -9.132 1.00 0.00 WAT +ATOM 31003 H2 TIP3 8231 41.427 32.691 -10.084 1.00 0.00 WAT +ATOM 31004 OH2 TIP3 8232 42.319 35.637 -23.067 1.00 0.00 WAT +ATOM 31005 H1 TIP3 8232 41.711 35.479 -22.332 1.00 0.00 WAT +ATOM 31006 H2 TIP3 8232 42.019 34.964 -23.695 1.00 0.00 WAT +ATOM 31007 OH2 TIP3 8233 37.772 38.275 -12.607 1.00 0.00 WAT +ATOM 31008 H1 TIP3 8233 37.208 38.373 -11.821 1.00 0.00 WAT +ATOM 31009 H2 TIP3 8233 37.835 39.192 -12.942 1.00 0.00 WAT +ATOM 31010 OH2 TIP3 8234 37.725 38.351 -17.758 1.00 0.00 WAT +ATOM 31011 H1 TIP3 8234 36.768 38.265 -17.924 1.00 0.00 WAT +ATOM 31012 H2 TIP3 8234 38.081 38.147 -18.643 1.00 0.00 WAT +ATOM 31013 OH2 TIP3 8235 42.754 38.783 -18.309 1.00 0.00 WAT +ATOM 31014 H1 TIP3 8235 42.709 39.737 -18.485 1.00 0.00 WAT +ATOM 31015 H2 TIP3 8235 43.669 38.632 -18.036 1.00 0.00 WAT +ATOM 31016 OH2 TIP3 8236 42.628 39.229 -7.058 1.00 0.00 WAT +ATOM 31017 H1 TIP3 8236 41.968 38.515 -7.162 1.00 0.00 WAT +ATOM 31018 H2 TIP3 8236 43.428 38.725 -7.314 1.00 0.00 WAT +ATOM 31019 OH2 TIP3 8237 35.189 38.428 -10.813 1.00 0.00 WAT +ATOM 31020 H1 TIP3 8237 35.427 38.757 -9.938 1.00 0.00 WAT +ATOM 31021 H2 TIP3 8237 34.856 37.538 -10.594 1.00 0.00 WAT +ATOM 31022 OH2 TIP3 8238 38.613 36.085 -24.212 1.00 0.00 WAT +ATOM 31023 H1 TIP3 8238 38.226 35.695 -23.402 1.00 0.00 WAT +ATOM 31024 H2 TIP3 8238 37.845 36.168 -24.790 1.00 0.00 WAT +ATOM 31025 OH2 TIP3 8239 32.126 36.099 -17.243 1.00 0.00 WAT +ATOM 31026 H1 TIP3 8239 32.609 35.920 -16.412 1.00 0.00 WAT +ATOM 31027 H2 TIP3 8239 32.504 35.463 -17.871 1.00 0.00 WAT +ATOM 31028 OH2 TIP3 8240 33.599 36.340 -21.418 1.00 0.00 WAT +ATOM 31029 H1 TIP3 8240 34.132 36.807 -22.094 1.00 0.00 WAT +ATOM 31030 H2 TIP3 8240 32.877 36.975 -21.277 1.00 0.00 WAT +ATOM 31031 OH2 TIP3 8241 43.459 39.726 -11.421 1.00 0.00 WAT +ATOM 31032 H1 TIP3 8241 43.778 39.018 -12.016 1.00 0.00 WAT +ATOM 31033 H2 TIP3 8241 42.716 39.250 -11.002 1.00 0.00 WAT +ATOM 31034 OH2 TIP3 8242 40.495 35.785 -16.678 1.00 0.00 WAT +ATOM 31035 H1 TIP3 8242 39.553 35.838 -16.444 1.00 0.00 WAT +ATOM 31036 H2 TIP3 8242 40.903 35.855 -15.801 1.00 0.00 WAT +ATOM 31037 OH2 TIP3 8243 35.059 37.246 -18.141 1.00 0.00 WAT +ATOM 31038 H1 TIP3 8243 34.184 37.330 -18.537 1.00 0.00 WAT +ATOM 31039 H2 TIP3 8243 35.384 36.409 -18.527 1.00 0.00 WAT +ATOM 31040 OH2 TIP3 8244 38.726 37.475 -20.389 1.00 0.00 WAT +ATOM 31041 H1 TIP3 8244 39.686 37.600 -20.302 1.00 0.00 WAT +ATOM 31042 H2 TIP3 8244 38.473 38.107 -21.083 1.00 0.00 WAT +ATOM 31043 OH2 TIP3 8245 37.180 38.816 -22.596 1.00 0.00 WAT +ATOM 31044 H1 TIP3 8245 36.623 38.443 -23.296 1.00 0.00 WAT +ATOM 31045 H2 TIP3 8245 38.023 38.931 -23.066 1.00 0.00 WAT +ATOM 31046 OH2 TIP3 8246 36.110 43.190 -7.947 1.00 0.00 WAT +ATOM 31047 H1 TIP3 8246 36.681 43.596 -7.265 1.00 0.00 WAT +ATOM 31048 H2 TIP3 8246 35.299 43.028 -7.413 1.00 0.00 WAT +ATOM 31049 OH2 TIP3 8247 41.454 38.287 -15.267 1.00 0.00 WAT +ATOM 31050 H1 TIP3 8247 42.148 37.806 -15.734 1.00 0.00 WAT +ATOM 31051 H2 TIP3 8247 41.609 38.019 -14.344 1.00 0.00 WAT +ATOM 31052 OH2 TIP3 8248 36.791 34.929 -18.729 1.00 0.00 WAT +ATOM 31053 H1 TIP3 8248 36.228 34.154 -18.546 1.00 0.00 WAT +ATOM 31054 H2 TIP3 8248 37.600 34.519 -19.061 1.00 0.00 WAT +ATOM 31055 OH2 TIP3 8249 40.512 36.858 -12.633 1.00 0.00 WAT +ATOM 31056 H1 TIP3 8249 39.776 37.487 -12.710 1.00 0.00 WAT +ATOM 31057 H2 TIP3 8249 41.048 37.258 -11.924 1.00 0.00 WAT +ATOM 31058 OH2 TIP3 8250 40.674 43.337 -20.640 1.00 0.00 WAT +ATOM 31059 H1 TIP3 8250 39.944 42.903 -21.126 1.00 0.00 WAT +ATOM 31060 H2 TIP3 8250 40.437 43.194 -19.717 1.00 0.00 WAT +ATOM 31061 OH2 TIP3 8251 35.722 42.237 -15.367 1.00 0.00 WAT +ATOM 31062 H1 TIP3 8251 36.563 42.307 -15.867 1.00 0.00 WAT +ATOM 31063 H2 TIP3 8251 35.992 41.632 -14.652 1.00 0.00 WAT +ATOM 31064 OH2 TIP3 8252 33.060 40.821 -9.659 1.00 0.00 WAT +ATOM 31065 H1 TIP3 8252 33.239 40.421 -8.785 1.00 0.00 WAT +ATOM 31066 H2 TIP3 8252 32.376 40.240 -10.027 1.00 0.00 WAT +ATOM 31067 OH2 TIP3 8253 40.020 40.676 -7.553 1.00 0.00 WAT +ATOM 31068 H1 TIP3 8253 39.536 40.087 -8.151 1.00 0.00 WAT +ATOM 31069 H2 TIP3 8253 40.884 40.251 -7.478 1.00 0.00 WAT +ATOM 31070 OH2 TIP3 8254 34.009 40.921 -23.093 1.00 0.00 WAT +ATOM 31071 H1 TIP3 8254 34.671 41.495 -22.679 1.00 0.00 WAT +ATOM 31072 H2 TIP3 8254 33.196 41.237 -22.659 1.00 0.00 WAT +ATOM 31073 OH2 TIP3 8255 34.386 35.628 -10.093 1.00 0.00 WAT +ATOM 31074 H1 TIP3 8255 33.466 35.883 -10.290 1.00 0.00 WAT +ATOM 31075 H2 TIP3 8255 34.251 34.790 -9.613 1.00 0.00 WAT +ATOM 31076 OH2 TIP3 8256 35.858 -43.860 -21.300 1.00 0.00 WAT +ATOM 31077 H1 TIP3 8256 34.963 -43.490 -21.172 1.00 0.00 WAT +ATOM 31078 H2 TIP3 8256 36.344 -43.068 -21.576 1.00 0.00 WAT +ATOM 31079 OH2 TIP3 8257 43.389 35.904 -11.000 1.00 0.00 WAT +ATOM 31080 H1 TIP3 8257 43.751 35.161 -10.518 1.00 0.00 WAT +ATOM 31081 H2 TIP3 8257 42.717 35.488 -11.559 1.00 0.00 WAT +ATOM 31082 OH2 TIP3 8258 41.348 36.754 -19.314 1.00 0.00 WAT +ATOM 31083 H1 TIP3 8258 41.968 37.472 -19.044 1.00 0.00 WAT +ATOM 31084 H2 TIP3 8258 40.989 36.558 -18.429 1.00 0.00 WAT +ATOM 31085 OH2 TIP3 8259 41.760 37.932 -10.194 1.00 0.00 WAT +ATOM 31086 H1 TIP3 8259 41.720 38.276 -9.295 1.00 0.00 WAT +ATOM 31087 H2 TIP3 8259 42.361 37.168 -10.106 1.00 0.00 WAT +ATOM 31088 OH2 TIP3 8260 41.927 33.894 -18.120 1.00 0.00 WAT +ATOM 31089 H1 TIP3 8260 41.661 34.674 -17.581 1.00 0.00 WAT +ATOM 31090 H2 TIP3 8260 42.714 34.237 -18.578 1.00 0.00 WAT +ATOM 31091 OH2 TIP3 8261 37.688 34.955 -21.854 1.00 0.00 WAT +ATOM 31092 H1 TIP3 8261 37.699 35.698 -21.225 1.00 0.00 WAT +ATOM 31093 H2 TIP3 8261 38.480 34.457 -21.586 1.00 0.00 WAT +ATOM 31094 OH2 TIP3 8262 34.226 37.998 -23.597 1.00 0.00 WAT +ATOM 31095 H1 TIP3 8262 34.343 38.946 -23.426 1.00 0.00 WAT +ATOM 31096 H2 TIP3 8262 33.406 37.973 -24.107 1.00 0.00 WAT +ATOM 31097 OH2 TIP3 8263 35.179 33.030 -14.850 1.00 0.00 WAT +ATOM 31098 H1 TIP3 8263 34.958 32.984 -15.799 1.00 0.00 WAT +ATOM 31099 H2 TIP3 8263 34.841 32.177 -14.509 1.00 0.00 WAT +ATOM 31100 OH2 TIP3 8264 33.660 43.063 -6.839 1.00 0.00 WAT +ATOM 31101 H1 TIP3 8264 33.456 42.128 -6.654 1.00 0.00 WAT +ATOM 31102 H2 TIP3 8264 32.813 43.461 -7.050 1.00 0.00 WAT +ATOM 31103 OH2 TIP3 8265 39.600 43.324 -7.230 1.00 0.00 WAT +ATOM 31104 H1 TIP3 8265 39.585 43.393 -8.201 1.00 0.00 WAT +ATOM 31105 H2 TIP3 8265 39.862 42.377 -7.133 1.00 0.00 WAT +ATOM 31106 OH2 TIP3 8266 34.295 40.171 -7.093 1.00 0.00 WAT +ATOM 31107 H1 TIP3 8266 34.988 39.496 -7.109 1.00 0.00 WAT +ATOM 31108 H2 TIP3 8266 34.340 40.441 -6.154 1.00 0.00 WAT +ATOM 31109 OH2 TIP3 8267 38.759 41.635 -21.933 1.00 0.00 WAT +ATOM 31110 H1 TIP3 8267 38.142 41.125 -21.396 1.00 0.00 WAT +ATOM 31111 H2 TIP3 8267 39.000 40.996 -22.627 1.00 0.00 WAT +ATOM 31112 OH2 TIP3 8268 37.984 39.437 -9.625 1.00 0.00 WAT +ATOM 31113 H1 TIP3 8268 37.409 40.208 -9.482 1.00 0.00 WAT +ATOM 31114 H2 TIP3 8268 38.607 39.768 -10.292 1.00 0.00 WAT +ATOM 31115 OH2 TIP3 8269 39.772 39.569 -23.692 1.00 0.00 WAT +ATOM 31116 H1 TIP3 8269 39.713 39.669 -24.660 1.00 0.00 WAT +ATOM 31117 H2 TIP3 8269 40.727 39.686 -23.543 1.00 0.00 WAT +ATOM 31118 OH2 TIP3 8270 42.873 41.966 -6.024 1.00 0.00 WAT +ATOM 31119 H1 TIP3 8270 43.512 41.609 -6.644 1.00 0.00 WAT +ATOM 31120 H2 TIP3 8270 42.348 41.177 -5.845 1.00 0.00 WAT +ATOM 31121 OH2 TIP3 8271 38.634 36.714 -8.438 1.00 0.00 WAT +ATOM 31122 H1 TIP3 8271 38.475 36.114 -9.180 1.00 0.00 WAT +ATOM 31123 H2 TIP3 8271 38.210 37.538 -8.730 1.00 0.00 WAT +ATOM 31124 OH2 TIP3 8272 38.864 35.115 -11.038 1.00 0.00 WAT +ATOM 31125 H1 TIP3 8272 39.342 35.707 -11.649 1.00 0.00 WAT +ATOM 31126 H2 TIP3 8272 37.944 35.146 -11.372 1.00 0.00 WAT +ATOM 31127 OH2 TIP3 8273 40.577 40.623 -10.893 1.00 0.00 WAT +ATOM 31128 H1 TIP3 8273 41.338 40.595 -11.488 1.00 0.00 WAT +ATOM 31129 H2 TIP3 8273 40.183 41.477 -11.103 1.00 0.00 WAT +ATOM 31130 OH2 TIP3 8274 39.729 32.510 -10.784 1.00 0.00 WAT +ATOM 31131 H1 TIP3 8274 39.461 33.449 -10.893 1.00 0.00 WAT +ATOM 31132 H2 TIP3 8274 39.034 32.059 -11.300 1.00 0.00 WAT +ATOM 31133 OH2 TIP3 8275 41.024 36.923 -7.109 1.00 0.00 WAT +ATOM 31134 H1 TIP3 8275 40.689 36.685 -6.232 1.00 0.00 WAT +ATOM 31135 H2 TIP3 8275 40.204 36.756 -7.630 1.00 0.00 WAT +ATOM 31136 OH2 TIP3 8276 35.350 36.078 -7.046 1.00 0.00 WAT +ATOM 31137 H1 TIP3 8276 35.317 35.289 -7.600 1.00 0.00 WAT +ATOM 31138 H2 TIP3 8276 35.211 35.727 -6.155 1.00 0.00 WAT +ATOM 31139 OH2 TIP3 8277 39.411 31.900 -7.932 1.00 0.00 WAT +ATOM 31140 H1 TIP3 8277 40.060 31.185 -7.906 1.00 0.00 WAT +ATOM 31141 H2 TIP3 8277 39.397 32.112 -8.883 1.00 0.00 WAT +ATOM 31142 OH2 TIP3 8278 40.432 33.702 -6.023 1.00 0.00 WAT +ATOM 31143 H1 TIP3 8278 40.044 33.192 -6.761 1.00 0.00 WAT +ATOM 31144 H2 TIP3 8278 39.794 34.443 -5.944 1.00 0.00 WAT +ATOM 31145 OH2 TIP3 8279 32.742 41.902 -13.792 1.00 0.00 WAT +ATOM 31146 H1 TIP3 8279 32.909 41.902 -14.740 1.00 0.00 WAT +ATOM 31147 H2 TIP3 8279 33.612 41.621 -13.436 1.00 0.00 WAT +ATOM 31148 OH2 TIP3 8280 32.704 37.134 -7.668 1.00 0.00 WAT +ATOM 31149 H1 TIP3 8280 33.646 36.976 -7.455 1.00 0.00 WAT +ATOM 31150 H2 TIP3 8280 32.326 36.257 -7.481 1.00 0.00 WAT +ATOM 31151 OH2 TIP3 8281 33.478 35.480 -14.776 1.00 0.00 WAT +ATOM 31152 H1 TIP3 8281 33.908 34.617 -14.639 1.00 0.00 WAT +ATOM 31153 H2 TIP3 8281 34.151 36.075 -14.393 1.00 0.00 WAT +ATOM 31154 OH2 TIP3 8282 32.021 38.165 -13.712 1.00 0.00 WAT +ATOM 31155 H1 TIP3 8282 32.644 38.122 -14.454 1.00 0.00 WAT +ATOM 31156 H2 TIP3 8282 32.372 38.908 -13.205 1.00 0.00 WAT +ATOM 31157 OH2 TIP3 8283 32.494 34.490 -19.627 1.00 0.00 WAT +ATOM 31158 H1 TIP3 8283 31.548 34.535 -19.848 1.00 0.00 WAT +ATOM 31159 H2 TIP3 8283 32.908 35.072 -20.294 1.00 0.00 WAT +ATOM 31160 OH2 TIP3 8284 32.577 33.435 -11.458 1.00 0.00 WAT +ATOM 31161 H1 TIP3 8284 31.891 33.045 -10.902 1.00 0.00 WAT +ATOM 31162 H2 TIP3 8284 32.043 33.835 -12.163 1.00 0.00 WAT +ATOM 31163 OH2 TIP3 8285 42.630 33.979 -15.214 1.00 0.00 WAT +ATOM 31164 H1 TIP3 8285 41.807 33.478 -15.077 1.00 0.00 WAT +ATOM 31165 H2 TIP3 8285 42.957 33.591 -16.030 1.00 0.00 WAT +ATOM 31166 OH2 TIP3 8286 34.817 33.023 -17.723 1.00 0.00 WAT +ATOM 31167 H1 TIP3 8286 33.943 32.848 -18.123 1.00 0.00 WAT +ATOM 31168 H2 TIP3 8286 35.234 32.145 -17.802 1.00 0.00 WAT +ATOM 31169 OH2 TIP3 8287 33.603 32.507 -21.811 1.00 0.00 WAT +ATOM 31170 H1 TIP3 8287 34.125 33.165 -22.308 1.00 0.00 WAT +ATOM 31171 H2 TIP3 8287 33.220 33.041 -21.098 1.00 0.00 WAT +ATOM 31172 OH2 TIP3 8288 39.320 32.857 -17.791 1.00 0.00 WAT +ATOM 31173 H1 TIP3 8288 40.252 33.137 -17.862 1.00 0.00 WAT +ATOM 31174 H2 TIP3 8288 39.243 32.750 -16.835 1.00 0.00 WAT +ATOM 31175 OH2 TIP3 8289 35.326 34.332 -23.358 1.00 0.00 WAT +ATOM 31176 H1 TIP3 8289 35.919 33.766 -23.882 1.00 0.00 WAT +ATOM 31177 H2 TIP3 8289 35.938 34.654 -22.669 1.00 0.00 WAT +ATOM 31178 OH2 TIP3 8290 40.660 34.508 -20.802 1.00 0.00 WAT +ATOM 31179 H1 TIP3 8290 40.656 33.899 -20.049 1.00 0.00 WAT +ATOM 31180 H2 TIP3 8290 40.612 35.371 -20.348 1.00 0.00 WAT +ATOM 31181 OH2 TIP3 8291 34.578 33.309 -8.101 1.00 0.00 WAT +ATOM 31182 H1 TIP3 8291 34.216 32.467 -7.780 1.00 0.00 WAT +ATOM 31183 H2 TIP3 8291 35.509 33.216 -7.846 1.00 0.00 WAT +ATOM 31184 OH2 TIP3 8292 36.981 32.609 -6.416 1.00 0.00 WAT +ATOM 31185 H1 TIP3 8292 37.809 32.268 -6.809 1.00 0.00 WAT +ATOM 31186 H2 TIP3 8292 36.626 31.809 -6.000 1.00 0.00 WAT +ATOM 31187 OH2 TIP3 8293 -31.609 -33.673 1.448 1.00 0.00 WAT +ATOM 31188 H1 TIP3 8293 -31.601 -32.706 1.552 1.00 0.00 WAT +ATOM 31189 H2 TIP3 8293 -32.370 -33.791 0.863 1.00 0.00 WAT +ATOM 31190 OH2 TIP3 8294 -32.769 -34.217 4.512 1.00 0.00 WAT +ATOM 31191 H1 TIP3 8294 -32.762 -34.783 5.300 1.00 0.00 WAT +ATOM 31192 H2 TIP3 8294 -33.016 -34.846 3.818 1.00 0.00 WAT +ATOM 31193 OH2 TIP3 8295 -40.285 -34.630 6.157 1.00 0.00 WAT +ATOM 31194 H1 TIP3 8295 -40.323 -35.371 6.790 1.00 0.00 WAT +ATOM 31195 H2 TIP3 8295 -39.579 -34.092 6.540 1.00 0.00 WAT +ATOM 31196 OH2 TIP3 8296 -29.083 -31.487 2.831 1.00 0.00 WAT +ATOM 31197 H1 TIP3 8296 -29.439 -32.196 3.382 1.00 0.00 WAT +ATOM 31198 H2 TIP3 8296 -28.764 -30.869 3.503 1.00 0.00 WAT +ATOM 31199 OH2 TIP3 8297 -39.599 -30.025 4.672 1.00 0.00 WAT +ATOM 31200 H1 TIP3 8297 -39.871 -30.922 4.398 1.00 0.00 WAT +ATOM 31201 H2 TIP3 8297 -38.656 -30.166 4.846 1.00 0.00 WAT +ATOM 31202 OH2 TIP3 8298 -42.145 -36.122 -1.067 1.00 0.00 WAT +ATOM 31203 H1 TIP3 8298 -42.266 -35.362 -0.477 1.00 0.00 WAT +ATOM 31204 H2 TIP3 8298 -43.063 -36.386 -1.214 1.00 0.00 WAT +ATOM 31205 OH2 TIP3 8299 -42.042 -34.301 1.650 1.00 0.00 WAT +ATOM 31206 H1 TIP3 8299 -41.877 -34.884 2.410 1.00 0.00 WAT +ATOM 31207 H2 TIP3 8299 -41.204 -33.833 1.563 1.00 0.00 WAT +ATOM 31208 OH2 TIP3 8300 -32.032 -26.141 3.397 1.00 0.00 WAT +ATOM 31209 H1 TIP3 8300 -31.428 -26.833 3.066 1.00 0.00 WAT +ATOM 31210 H2 TIP3 8300 -32.272 -26.488 4.265 1.00 0.00 WAT +ATOM 31211 OH2 TIP3 8301 -34.264 -31.718 5.081 1.00 0.00 WAT +ATOM 31212 H1 TIP3 8301 -33.934 -32.437 4.513 1.00 0.00 WAT +ATOM 31213 H2 TIP3 8301 -33.449 -31.554 5.595 1.00 0.00 WAT +ATOM 31214 OH2 TIP3 8302 -25.631 -40.126 5.537 1.00 0.00 WAT +ATOM 31215 H1 TIP3 8302 -25.322 -39.816 6.404 1.00 0.00 WAT +ATOM 31216 H2 TIP3 8302 -24.959 -39.735 4.958 1.00 0.00 WAT +ATOM 31217 OH2 TIP3 8303 -30.996 -37.404 5.596 1.00 0.00 WAT +ATOM 31218 H1 TIP3 8303 -30.771 -38.350 5.609 1.00 0.00 WAT +ATOM 31219 H2 TIP3 8303 -31.055 -37.237 4.642 1.00 0.00 WAT +ATOM 31220 OH2 TIP3 8304 -38.022 -39.410 2.699 1.00 0.00 WAT +ATOM 31221 H1 TIP3 8304 -37.835 -38.566 2.243 1.00 0.00 WAT +ATOM 31222 H2 TIP3 8304 -38.324 -39.952 1.946 1.00 0.00 WAT +ATOM 31223 OH2 TIP3 8305 -30.108 -39.219 1.020 1.00 0.00 WAT +ATOM 31224 H1 TIP3 8305 -29.500 -39.643 1.660 1.00 0.00 WAT +ATOM 31225 H2 TIP3 8305 -29.479 -38.767 0.438 1.00 0.00 WAT +ATOM 31226 OH2 TIP3 8306 -41.390 -36.627 3.200 1.00 0.00 WAT +ATOM 31227 H1 TIP3 8306 -40.803 -37.051 3.849 1.00 0.00 WAT +ATOM 31228 H2 TIP3 8306 -41.202 -37.163 2.411 1.00 0.00 WAT +ATOM 31229 OH2 TIP3 8307 -35.935 -35.255 2.635 1.00 0.00 WAT +ATOM 31230 H1 TIP3 8307 -35.215 -35.796 3.015 1.00 0.00 WAT +ATOM 31231 H2 TIP3 8307 -36.432 -35.930 2.137 1.00 0.00 WAT +ATOM 31232 OH2 TIP3 8308 -24.723 -38.405 8.188 1.00 0.00 WAT +ATOM 31233 H1 TIP3 8308 -25.601 -38.029 8.030 1.00 0.00 WAT +ATOM 31234 H2 TIP3 8308 -24.864 -39.040 8.896 1.00 0.00 WAT +ATOM 31235 OH2 TIP3 8309 -39.173 -40.512 6.894 1.00 0.00 WAT +ATOM 31236 H1 TIP3 8309 -39.574 -40.095 6.116 1.00 0.00 WAT +ATOM 31237 H2 TIP3 8309 -39.869 -40.342 7.557 1.00 0.00 WAT +ATOM 31238 OH2 TIP3 8310 -31.721 -30.836 0.233 1.00 0.00 WAT +ATOM 31239 H1 TIP3 8310 -31.997 -31.030 -0.666 1.00 0.00 WAT +ATOM 31240 H2 TIP3 8310 -32.150 -29.979 0.406 1.00 0.00 WAT +ATOM 31241 OH2 TIP3 8311 -36.257 -32.701 6.946 1.00 0.00 WAT +ATOM 31242 H1 TIP3 8311 -36.979 -32.090 7.204 1.00 0.00 WAT +ATOM 31243 H2 TIP3 8311 -35.623 -32.102 6.509 1.00 0.00 WAT +ATOM 31244 OH2 TIP3 8312 -28.235 -40.151 3.050 1.00 0.00 WAT +ATOM 31245 H1 TIP3 8312 -28.731 -40.576 3.761 1.00 0.00 WAT +ATOM 31246 H2 TIP3 8312 -27.692 -39.518 3.552 1.00 0.00 WAT +ATOM 31247 OH2 TIP3 8313 -39.584 -38.503 4.759 1.00 0.00 WAT +ATOM 31248 H1 TIP3 8313 -38.932 -37.926 5.209 1.00 0.00 WAT +ATOM 31249 H2 TIP3 8313 -39.020 -38.877 4.045 1.00 0.00 WAT +ATOM 31250 OH2 TIP3 8314 -38.279 -30.834 7.681 1.00 0.00 WAT +ATOM 31251 H1 TIP3 8314 -38.294 -29.918 7.349 1.00 0.00 WAT +ATOM 31252 H2 TIP3 8314 -39.163 -30.882 8.088 1.00 0.00 WAT +ATOM 31253 OH2 TIP3 8315 -41.829 -31.192 -1.417 1.00 0.00 WAT +ATOM 31254 H1 TIP3 8315 -42.638 -31.010 -1.936 1.00 0.00 WAT +ATOM 31255 H2 TIP3 8315 -41.921 -30.584 -0.665 1.00 0.00 WAT +ATOM 31256 OH2 TIP3 8316 -28.516 -29.679 5.328 1.00 0.00 WAT +ATOM 31257 H1 TIP3 8316 -29.481 -29.539 5.332 1.00 0.00 WAT +ATOM 31258 H2 TIP3 8316 -28.210 -28.832 4.958 1.00 0.00 WAT +ATOM 31259 OH2 TIP3 8317 -28.070 -41.112 7.022 1.00 0.00 WAT +ATOM 31260 H1 TIP3 8317 -28.866 -40.757 6.595 1.00 0.00 WAT +ATOM 31261 H2 TIP3 8317 -27.393 -40.958 6.339 1.00 0.00 WAT +ATOM 31262 OH2 TIP3 8318 -34.959 43.814 4.154 1.00 0.00 WAT +ATOM 31263 H1 TIP3 8318 -35.024 42.854 4.147 1.00 0.00 WAT +ATOM 31264 H2 TIP3 8318 -35.863 44.117 4.367 1.00 0.00 WAT +ATOM 31265 OH2 TIP3 8319 -30.203 -27.731 1.888 1.00 0.00 WAT +ATOM 31266 H1 TIP3 8319 -29.718 -28.525 1.585 1.00 0.00 WAT +ATOM 31267 H2 TIP3 8319 -29.512 -27.045 1.793 1.00 0.00 WAT +ATOM 31268 OH2 TIP3 8320 -28.764 -29.869 0.518 1.00 0.00 WAT +ATOM 31269 H1 TIP3 8320 -29.249 -30.338 -0.175 1.00 0.00 WAT +ATOM 31270 H2 TIP3 8320 -28.811 -30.513 1.252 1.00 0.00 WAT +ATOM 31271 OH2 TIP3 8321 -27.226 -31.055 9.007 1.00 0.00 WAT +ATOM 31272 H1 TIP3 8321 -27.311 -31.690 8.272 1.00 0.00 WAT +ATOM 31273 H2 TIP3 8321 -27.091 -30.215 8.525 1.00 0.00 WAT +ATOM 31274 OH2 TIP3 8322 -32.966 -34.155 -1.303 1.00 0.00 WAT +ATOM 31275 H1 TIP3 8322 -33.612 -33.532 -1.686 1.00 0.00 WAT +ATOM 31276 H2 TIP3 8322 -32.232 -34.095 -1.936 1.00 0.00 WAT +ATOM 31277 OH2 TIP3 8323 -32.668 -35.956 -4.253 1.00 0.00 WAT +ATOM 31278 H1 TIP3 8323 -31.985 -35.645 -3.631 1.00 0.00 WAT +ATOM 31279 H2 TIP3 8323 -32.137 -36.526 -4.828 1.00 0.00 WAT +ATOM 31280 OH2 TIP3 8324 -25.458 -34.873 6.986 1.00 0.00 WAT +ATOM 31281 H1 TIP3 8324 -26.173 -34.209 7.017 1.00 0.00 WAT +ATOM 31282 H2 TIP3 8324 -24.960 -34.578 6.199 1.00 0.00 WAT +ATOM 31283 OH2 TIP3 8325 -29.444 -34.157 -0.221 1.00 0.00 WAT +ATOM 31284 H1 TIP3 8325 -30.117 -33.934 0.462 1.00 0.00 WAT +ATOM 31285 H2 TIP3 8325 -28.823 -34.698 0.302 1.00 0.00 WAT +ATOM 31286 OH2 TIP3 8326 -29.605 -35.621 8.613 1.00 0.00 WAT +ATOM 31287 H1 TIP3 8326 -29.536 -34.806 9.137 1.00 0.00 WAT +ATOM 31288 H2 TIP3 8326 -30.237 -35.312 7.941 1.00 0.00 WAT +ATOM 31289 OH2 TIP3 8327 -37.835 -33.370 1.550 1.00 0.00 WAT +ATOM 31290 H1 TIP3 8327 -38.152 -33.810 0.737 1.00 0.00 WAT +ATOM 31291 H2 TIP3 8327 -37.180 -34.010 1.882 1.00 0.00 WAT +ATOM 31292 OH2 TIP3 8328 -36.491 -29.993 4.302 1.00 0.00 WAT +ATOM 31293 H1 TIP3 8328 -36.574 -30.350 3.407 1.00 0.00 WAT +ATOM 31294 H2 TIP3 8328 -35.679 -30.439 4.617 1.00 0.00 WAT +ATOM 31295 OH2 TIP3 8329 -37.281 -34.538 5.034 1.00 0.00 WAT +ATOM 31296 H1 TIP3 8329 -36.695 -34.530 4.252 1.00 0.00 WAT +ATOM 31297 H2 TIP3 8329 -36.856 -33.889 5.627 1.00 0.00 WAT +ATOM 31298 OH2 TIP3 8330 -31.352 -29.035 5.617 1.00 0.00 WAT +ATOM 31299 H1 TIP3 8330 -31.288 -28.372 6.325 1.00 0.00 WAT +ATOM 31300 H2 TIP3 8330 -31.535 -29.863 6.096 1.00 0.00 WAT +ATOM 31301 OH2 TIP3 8331 -36.424 -30.255 9.880 1.00 0.00 WAT +ATOM 31302 H1 TIP3 8331 -36.935 -29.582 10.363 1.00 0.00 WAT +ATOM 31303 H2 TIP3 8331 -37.058 -30.510 9.183 1.00 0.00 WAT +ATOM 31304 OH2 TIP3 8332 -30.487 -34.710 -2.759 1.00 0.00 WAT +ATOM 31305 H1 TIP3 8332 -30.014 -34.429 -1.947 1.00 0.00 WAT +ATOM 31306 H2 TIP3 8332 -29.987 -34.200 -3.445 1.00 0.00 WAT +ATOM 31307 OH2 TIP3 8333 -39.560 -33.902 9.040 1.00 0.00 WAT +ATOM 31308 H1 TIP3 8333 -39.474 -33.290 9.793 1.00 0.00 WAT +ATOM 31309 H2 TIP3 8333 -40.528 -33.931 8.927 1.00 0.00 WAT +ATOM 31310 OH2 TIP3 8334 -33.048 -28.100 0.806 1.00 0.00 WAT +ATOM 31311 H1 TIP3 8334 -32.542 -27.813 1.576 1.00 0.00 WAT +ATOM 31312 H2 TIP3 8334 -33.527 -27.300 0.545 1.00 0.00 WAT +ATOM 31313 OH2 TIP3 8335 -38.357 -28.078 10.716 1.00 0.00 WAT +ATOM 31314 H1 TIP3 8335 -38.424 -28.031 9.746 1.00 0.00 WAT +ATOM 31315 H2 TIP3 8335 -39.272 -28.268 10.989 1.00 0.00 WAT +ATOM 31316 OH2 TIP3 8336 -27.282 -43.245 -3.534 1.00 0.00 WAT +ATOM 31317 H1 TIP3 8336 -27.714 -43.221 -2.668 1.00 0.00 WAT +ATOM 31318 H2 TIP3 8336 -26.518 -42.676 -3.359 1.00 0.00 WAT +ATOM 31319 OH2 TIP3 8337 -38.932 -34.638 -0.918 1.00 0.00 WAT +ATOM 31320 H1 TIP3 8337 -39.160 -33.873 -1.471 1.00 0.00 WAT +ATOM 31321 H2 TIP3 8337 -39.621 -35.275 -1.161 1.00 0.00 WAT +ATOM 31322 OH2 TIP3 8338 -25.655 -28.779 -4.709 1.00 0.00 WAT +ATOM 31323 H1 TIP3 8338 -25.478 -27.852 -4.465 1.00 0.00 WAT +ATOM 31324 H2 TIP3 8338 -24.792 -29.202 -4.524 1.00 0.00 WAT +ATOM 31325 OH2 TIP3 8339 -42.673 -31.804 7.608 1.00 0.00 WAT +ATOM 31326 H1 TIP3 8339 -42.867 -32.148 6.720 1.00 0.00 WAT +ATOM 31327 H2 TIP3 8339 -43.064 -32.499 8.167 1.00 0.00 WAT +ATOM 31328 OH2 TIP3 8340 -42.810 -29.004 4.581 1.00 0.00 WAT +ATOM 31329 H1 TIP3 8340 -41.968 -29.440 4.763 1.00 0.00 WAT +ATOM 31330 H2 TIP3 8340 -42.981 -28.531 5.402 1.00 0.00 WAT +ATOM 31331 OH2 TIP3 8341 -24.414 -28.421 10.559 1.00 0.00 WAT +ATOM 31332 H1 TIP3 8341 -24.522 -29.358 10.318 1.00 0.00 WAT +ATOM 31333 H2 TIP3 8341 -25.335 -28.184 10.803 1.00 0.00 WAT +ATOM 31334 OH2 TIP3 8342 -33.776 -29.197 9.316 1.00 0.00 WAT +ATOM 31335 H1 TIP3 8342 -33.697 -28.371 9.834 1.00 0.00 WAT +ATOM 31336 H2 TIP3 8342 -34.679 -29.492 9.549 1.00 0.00 WAT +ATOM 31337 OH2 TIP3 8343 -33.540 -25.373 -0.719 1.00 0.00 WAT +ATOM 31338 H1 TIP3 8343 -33.464 -25.282 -1.684 1.00 0.00 WAT +ATOM 31339 H2 TIP3 8343 -33.431 -24.462 -0.403 1.00 0.00 WAT +ATOM 31340 OH2 TIP3 8344 -39.787 -26.234 0.929 1.00 0.00 WAT +ATOM 31341 H1 TIP3 8344 -39.530 -26.657 1.773 1.00 0.00 WAT +ATOM 31342 H2 TIP3 8344 -40.554 -26.785 0.699 1.00 0.00 WAT +ATOM 31343 OH2 TIP3 8345 -30.201 -25.965 -3.531 1.00 0.00 WAT +ATOM 31344 H1 TIP3 8345 -29.610 -26.605 -3.974 1.00 0.00 WAT +ATOM 31345 H2 TIP3 8345 -30.238 -26.338 -2.626 1.00 0.00 WAT +ATOM 31346 OH2 TIP3 8346 -30.806 -26.532 -0.738 1.00 0.00 WAT +ATOM 31347 H1 TIP3 8346 -31.755 -26.425 -0.563 1.00 0.00 WAT +ATOM 31348 H2 TIP3 8346 -30.590 -27.227 -0.091 1.00 0.00 WAT +ATOM 31349 OH2 TIP3 8347 -27.628 -37.077 10.922 1.00 0.00 WAT +ATOM 31350 H1 TIP3 8347 -28.118 -36.683 10.187 1.00 0.00 WAT +ATOM 31351 H2 TIP3 8347 -27.550 -38.005 10.629 1.00 0.00 WAT +ATOM 31352 OH2 TIP3 8348 -40.722 -30.402 9.101 1.00 0.00 WAT +ATOM 31353 H1 TIP3 8348 -40.416 -30.985 9.819 1.00 0.00 WAT +ATOM 31354 H2 TIP3 8348 -41.467 -30.902 8.701 1.00 0.00 WAT +ATOM 31355 OH2 TIP3 8349 -37.530 -42.227 4.985 1.00 0.00 WAT +ATOM 31356 H1 TIP3 8349 -38.388 -42.302 4.541 1.00 0.00 WAT +ATOM 31357 H2 TIP3 8349 -37.632 -41.358 5.399 1.00 0.00 WAT +ATOM 31358 OH2 TIP3 8350 -32.902 -42.626 8.539 1.00 0.00 WAT +ATOM 31359 H1 TIP3 8350 -32.703 -43.084 9.361 1.00 0.00 WAT +ATOM 31360 H2 TIP3 8350 -33.853 -42.771 8.456 1.00 0.00 WAT +ATOM 31361 OH2 TIP3 8351 -29.957 -38.639 8.940 1.00 0.00 WAT +ATOM 31362 H1 TIP3 8351 -30.504 -38.747 9.739 1.00 0.00 WAT +ATOM 31363 H2 TIP3 8351 -29.976 -37.679 8.784 1.00 0.00 WAT +ATOM 31364 OH2 TIP3 8352 -28.947 -33.634 -4.764 1.00 0.00 WAT +ATOM 31365 H1 TIP3 8352 -29.136 -33.799 -5.707 1.00 0.00 WAT +ATOM 31366 H2 TIP3 8352 -28.011 -33.368 -4.811 1.00 0.00 WAT +ATOM 31367 OH2 TIP3 8353 -33.292 -39.930 -4.306 1.00 0.00 WAT +ATOM 31368 H1 TIP3 8353 -33.828 -40.037 -3.496 1.00 0.00 WAT +ATOM 31369 H2 TIP3 8353 -33.784 -40.541 -4.898 1.00 0.00 WAT +ATOM 31370 OH2 TIP3 8354 -37.613 -37.145 6.232 1.00 0.00 WAT +ATOM 31371 H1 TIP3 8354 -38.210 -37.028 6.988 1.00 0.00 WAT +ATOM 31372 H2 TIP3 8354 -37.544 -36.235 5.873 1.00 0.00 WAT +ATOM 31373 OH2 TIP3 8355 -37.695 -37.098 1.126 1.00 0.00 WAT +ATOM 31374 H1 TIP3 8355 -38.650 -37.163 0.939 1.00 0.00 WAT +ATOM 31375 H2 TIP3 8355 -37.328 -37.268 0.236 1.00 0.00 WAT +ATOM 31376 OH2 TIP3 8356 -32.062 -36.519 -0.119 1.00 0.00 WAT +ATOM 31377 H1 TIP3 8356 -32.469 -35.687 -0.444 1.00 0.00 WAT +ATOM 31378 H2 TIP3 8356 -31.379 -36.667 -0.793 1.00 0.00 WAT +ATOM 31379 OH2 TIP3 8357 -32.874 -36.312 11.235 1.00 0.00 WAT +ATOM 31380 H1 TIP3 8357 -33.380 -37.067 11.599 1.00 0.00 WAT +ATOM 31381 H2 TIP3 8357 -32.001 -36.436 11.654 1.00 0.00 WAT +ATOM 31382 OH2 TIP3 8358 -31.215 -37.115 2.674 1.00 0.00 WAT +ATOM 31383 H1 TIP3 8358 -31.500 -36.532 1.942 1.00 0.00 WAT +ATOM 31384 H2 TIP3 8358 -31.002 -37.921 2.163 1.00 0.00 WAT +ATOM 31385 OH2 TIP3 8359 -40.261 -36.968 8.065 1.00 0.00 WAT +ATOM 31386 H1 TIP3 8359 -39.948 -36.627 8.910 1.00 0.00 WAT +ATOM 31387 H2 TIP3 8359 -40.525 -37.878 8.302 1.00 0.00 WAT +ATOM 31388 OH2 TIP3 8360 -36.899 -39.395 -5.345 1.00 0.00 WAT +ATOM 31389 H1 TIP3 8360 -37.233 -39.780 -4.514 1.00 0.00 WAT +ATOM 31390 H2 TIP3 8360 -37.698 -39.280 -5.870 1.00 0.00 WAT +ATOM 31391 OH2 TIP3 8361 -43.170 -39.383 1.695 1.00 0.00 WAT +ATOM 31392 H1 TIP3 8361 -43.052 -39.698 2.610 1.00 0.00 WAT +ATOM 31393 H2 TIP3 8361 -42.931 -40.156 1.175 1.00 0.00 WAT +ATOM 31394 OH2 TIP3 8362 -42.071 -38.960 -2.455 1.00 0.00 WAT +ATOM 31395 H1 TIP3 8362 -41.499 -38.646 -3.178 1.00 0.00 WAT +ATOM 31396 H2 TIP3 8362 -42.908 -38.536 -2.664 1.00 0.00 WAT +ATOM 31397 OH2 TIP3 8363 -32.129 -35.436 7.119 1.00 0.00 WAT +ATOM 31398 H1 TIP3 8363 -31.683 -36.160 6.622 1.00 0.00 WAT +ATOM 31399 H2 TIP3 8363 -32.422 -35.899 7.914 1.00 0.00 WAT +ATOM 31400 OH2 TIP3 8364 -34.899 -39.412 2.112 1.00 0.00 WAT +ATOM 31401 H1 TIP3 8364 -35.829 -39.605 2.315 1.00 0.00 WAT +ATOM 31402 H2 TIP3 8364 -34.458 -39.712 2.923 1.00 0.00 WAT +ATOM 31403 OH2 TIP3 8365 -40.391 -38.207 0.756 1.00 0.00 WAT +ATOM 31404 H1 TIP3 8365 -41.163 -38.107 0.183 1.00 0.00 WAT +ATOM 31405 H2 TIP3 8365 -40.023 -39.055 0.441 1.00 0.00 WAT +ATOM 31406 OH2 TIP3 8366 -36.715 -37.908 -1.487 1.00 0.00 WAT +ATOM 31407 H1 TIP3 8366 -35.744 -37.857 -1.439 1.00 0.00 WAT +ATOM 31408 H2 TIP3 8366 -36.942 -37.303 -2.213 1.00 0.00 WAT +ATOM 31409 OH2 TIP3 8367 -30.561 -40.330 5.152 1.00 0.00 WAT +ATOM 31410 H1 TIP3 8367 -31.192 -40.345 5.901 1.00 0.00 WAT +ATOM 31411 H2 TIP3 8367 -31.147 -40.630 4.437 1.00 0.00 WAT +ATOM 31412 OH2 TIP3 8368 -38.253 -36.674 -3.743 1.00 0.00 WAT +ATOM 31413 H1 TIP3 8368 -38.824 -36.985 -4.460 1.00 0.00 WAT +ATOM 31414 H2 TIP3 8368 -37.429 -36.476 -4.222 1.00 0.00 WAT +ATOM 31415 OH2 TIP3 8369 -27.510 -24.550 11.823 1.00 0.00 WAT +ATOM 31416 H1 TIP3 8369 -27.283 -24.115 10.981 1.00 0.00 WAT +ATOM 31417 H2 TIP3 8369 -26.784 -24.246 12.395 1.00 0.00 WAT +ATOM 31418 OH2 TIP3 8370 -39.528 -31.962 11.243 1.00 0.00 WAT +ATOM 31419 H1 TIP3 8370 -38.896 -31.921 11.992 1.00 0.00 WAT +ATOM 31420 H2 TIP3 8370 -40.369 -31.848 11.736 1.00 0.00 WAT +ATOM 31421 OH2 TIP3 8371 -33.894 -36.942 3.966 1.00 0.00 WAT +ATOM 31422 H1 TIP3 8371 -33.158 -37.361 3.494 1.00 0.00 WAT +ATOM 31423 H2 TIP3 8371 -34.042 -37.568 4.701 1.00 0.00 WAT +ATOM 31424 OH2 TIP3 8372 -38.797 -40.600 0.210 1.00 0.00 WAT +ATOM 31425 H1 TIP3 8372 -39.230 -41.463 0.326 1.00 0.00 WAT +ATOM 31426 H2 TIP3 8372 -37.944 -40.850 -0.177 1.00 0.00 WAT +ATOM 31427 OH2 TIP3 8373 -34.933 -38.506 6.230 1.00 0.00 WAT +ATOM 31428 H1 TIP3 8373 -35.674 -37.878 6.217 1.00 0.00 WAT +ATOM 31429 H2 TIP3 8373 -34.426 -38.231 7.022 1.00 0.00 WAT +ATOM 31430 OH2 TIP3 8374 -34.792 -32.078 -1.902 1.00 0.00 WAT +ATOM 31431 H1 TIP3 8374 -35.552 -32.596 -2.240 1.00 0.00 WAT +ATOM 31432 H2 TIP3 8374 -34.970 -32.044 -0.933 1.00 0.00 WAT +ATOM 31433 OH2 TIP3 8375 -27.559 -32.927 6.850 1.00 0.00 WAT +ATOM 31434 H1 TIP3 8375 -27.044 -32.395 6.204 1.00 0.00 WAT +ATOM 31435 H2 TIP3 8375 -28.405 -33.036 6.374 1.00 0.00 WAT +ATOM 31436 OH2 TIP3 8376 -30.606 -39.320 -4.269 1.00 0.00 WAT +ATOM 31437 H1 TIP3 8376 -31.589 -39.377 -4.246 1.00 0.00 WAT +ATOM 31438 H2 TIP3 8376 -30.413 -38.626 -3.606 1.00 0.00 WAT +ATOM 31439 OH2 TIP3 8377 -33.163 -32.096 9.426 1.00 0.00 WAT +ATOM 31440 H1 TIP3 8377 -33.423 -32.395 10.307 1.00 0.00 WAT +ATOM 31441 H2 TIP3 8377 -33.428 -31.164 9.428 1.00 0.00 WAT +ATOM 31442 OH2 TIP3 8378 -29.957 -37.492 -2.133 1.00 0.00 WAT +ATOM 31443 H1 TIP3 8378 -29.094 -37.626 -1.691 1.00 0.00 WAT +ATOM 31444 H2 TIP3 8378 -29.856 -36.596 -2.504 1.00 0.00 WAT +ATOM 31445 OH2 TIP3 8379 -39.781 -32.797 3.798 1.00 0.00 WAT +ATOM 31446 H1 TIP3 8379 -39.091 -32.857 3.113 1.00 0.00 WAT +ATOM 31447 H2 TIP3 8379 -39.608 -33.596 4.323 1.00 0.00 WAT +ATOM 31448 OH2 TIP3 8380 -32.382 -30.733 -2.971 1.00 0.00 WAT +ATOM 31449 H1 TIP3 8380 -32.632 -29.869 -2.584 1.00 0.00 WAT +ATOM 31450 H2 TIP3 8380 -33.136 -31.283 -2.690 1.00 0.00 WAT +ATOM 31451 OH2 TIP3 8381 -42.397 -34.252 9.483 1.00 0.00 WAT +ATOM 31452 H1 TIP3 8381 -42.304 -34.917 10.186 1.00 0.00 WAT +ATOM 31453 H2 TIP3 8381 -42.868 -34.761 8.783 1.00 0.00 WAT +ATOM 31454 OH2 TIP3 8382 -35.407 -34.936 11.184 1.00 0.00 WAT +ATOM 31455 H1 TIP3 8382 -35.744 -35.174 10.303 1.00 0.00 WAT +ATOM 31456 H2 TIP3 8382 -34.473 -35.201 11.094 1.00 0.00 WAT +ATOM 31457 OH2 TIP3 8383 -30.879 -29.530 8.899 1.00 0.00 WAT +ATOM 31458 H1 TIP3 8383 -31.841 -29.409 8.839 1.00 0.00 WAT +ATOM 31459 H2 TIP3 8383 -30.696 -29.236 9.806 1.00 0.00 WAT +ATOM 31460 OH2 TIP3 8384 -25.349 -37.450 -2.318 1.00 0.00 WAT +ATOM 31461 H1 TIP3 8384 -25.905 -37.642 -3.099 1.00 0.00 WAT +ATOM 31462 H2 TIP3 8384 -25.225 -36.489 -2.462 1.00 0.00 WAT +ATOM 31463 OH2 TIP3 8385 -24.892 -31.405 10.484 1.00 0.00 WAT +ATOM 31464 H1 TIP3 8385 -25.827 -31.195 10.279 1.00 0.00 WAT +ATOM 31465 H2 TIP3 8385 -24.550 -31.599 9.587 1.00 0.00 WAT +ATOM 31466 OH2 TIP3 8386 -27.214 -28.856 -2.277 1.00 0.00 WAT +ATOM 31467 H1 TIP3 8386 -27.333 -29.609 -1.679 1.00 0.00 WAT +ATOM 31468 H2 TIP3 8386 -26.579 -29.188 -2.927 1.00 0.00 WAT +ATOM 31469 OH2 TIP3 8387 -29.896 -33.502 5.158 1.00 0.00 WAT +ATOM 31470 H1 TIP3 8387 -30.825 -33.653 4.903 1.00 0.00 WAT +ATOM 31471 H2 TIP3 8387 -29.449 -34.217 4.661 1.00 0.00 WAT +ATOM 31472 OH2 TIP3 8388 -37.280 -29.417 1.210 1.00 0.00 WAT +ATOM 31473 H1 TIP3 8388 -36.846 -28.560 1.070 1.00 0.00 WAT +ATOM 31474 H2 TIP3 8388 -38.189 -29.223 0.948 1.00 0.00 WAT +ATOM 31475 OH2 TIP3 8389 -41.519 -34.445 -4.132 1.00 0.00 WAT +ATOM 31476 H1 TIP3 8389 -40.796 -33.912 -3.742 1.00 0.00 WAT +ATOM 31477 H2 TIP3 8389 -42.276 -33.882 -3.926 1.00 0.00 WAT +ATOM 31478 OH2 TIP3 8390 -35.431 -31.732 0.803 1.00 0.00 WAT +ATOM 31479 H1 TIP3 8390 -35.716 -30.818 0.957 1.00 0.00 WAT +ATOM 31480 H2 TIP3 8390 -36.141 -32.229 1.234 1.00 0.00 WAT +ATOM 31481 OH2 TIP3 8391 -35.263 -27.461 7.161 1.00 0.00 WAT +ATOM 31482 H1 TIP3 8391 -34.701 -26.720 6.873 1.00 0.00 WAT +ATOM 31483 H2 TIP3 8391 -34.641 -27.962 7.713 1.00 0.00 WAT +ATOM 31484 OH2 TIP3 8392 -36.815 -26.524 0.405 1.00 0.00 WAT +ATOM 31485 H1 TIP3 8392 -37.768 -26.369 0.478 1.00 0.00 WAT +ATOM 31486 H2 TIP3 8392 -36.454 -25.650 0.644 1.00 0.00 WAT +ATOM 31487 OH2 TIP3 8393 -31.859 -31.724 6.724 1.00 0.00 WAT +ATOM 31488 H1 TIP3 8393 -32.129 -31.997 7.618 1.00 0.00 WAT +ATOM 31489 H2 TIP3 8393 -31.114 -32.322 6.548 1.00 0.00 WAT +ATOM 31490 OH2 TIP3 8394 -29.711 -30.427 -4.354 1.00 0.00 WAT +ATOM 31491 H1 TIP3 8394 -29.255 -30.850 -3.605 1.00 0.00 WAT +ATOM 31492 H2 TIP3 8394 -30.629 -30.566 -4.065 1.00 0.00 WAT +ATOM 31493 OH2 TIP3 8395 -28.922 -27.139 9.130 1.00 0.00 WAT +ATOM 31494 H1 TIP3 8395 -29.671 -27.579 8.686 1.00 0.00 WAT +ATOM 31495 H2 TIP3 8395 -28.789 -26.348 8.575 1.00 0.00 WAT +ATOM 31496 OH2 TIP3 8396 -24.903 -26.050 -3.762 1.00 0.00 WAT +ATOM 31497 H1 TIP3 8396 -24.301 -25.453 -4.228 1.00 0.00 WAT +ATOM 31498 H2 TIP3 8396 -25.706 -25.496 -3.761 1.00 0.00 WAT +ATOM 31499 OH2 TIP3 8397 -41.065 -39.566 8.833 1.00 0.00 WAT +ATOM 31500 H1 TIP3 8397 -41.963 -39.244 8.645 1.00 0.00 WAT +ATOM 31501 H2 TIP3 8397 -41.240 -40.453 9.223 1.00 0.00 WAT +ATOM 31502 OH2 TIP3 8398 -28.732 -31.801 -1.950 1.00 0.00 WAT +ATOM 31503 H1 TIP3 8398 -28.978 -32.534 -1.360 1.00 0.00 WAT +ATOM 31504 H2 TIP3 8398 -27.760 -31.817 -1.889 1.00 0.00 WAT +ATOM 31505 OH2 TIP3 8399 -41.294 -27.992 7.259 1.00 0.00 WAT +ATOM 31506 H1 TIP3 8399 -41.088 -28.933 7.347 1.00 0.00 WAT +ATOM 31507 H2 TIP3 8399 -40.942 -27.659 8.092 1.00 0.00 WAT +ATOM 31508 OH2 TIP3 8400 -35.466 -29.362 -5.783 1.00 0.00 WAT +ATOM 31509 H1 TIP3 8400 -35.138 -30.144 -6.263 1.00 0.00 WAT +ATOM 31510 H2 TIP3 8400 -35.863 -29.774 -4.997 1.00 0.00 WAT +ATOM 31511 OH2 TIP3 8401 -36.635 -29.861 -3.044 1.00 0.00 WAT +ATOM 31512 H1 TIP3 8401 -36.096 -30.387 -2.434 1.00 0.00 WAT +ATOM 31513 H2 TIP3 8401 -36.471 -28.947 -2.731 1.00 0.00 WAT +ATOM 31514 OH2 TIP3 8402 -39.871 -32.443 -2.724 1.00 0.00 WAT +ATOM 31515 H1 TIP3 8402 -40.564 -32.025 -2.157 1.00 0.00 WAT +ATOM 31516 H2 TIP3 8402 -39.361 -31.649 -2.951 1.00 0.00 WAT +ATOM 31517 OH2 TIP3 8403 -32.168 -40.063 7.456 1.00 0.00 WAT +ATOM 31518 H1 TIP3 8403 -31.512 -39.797 8.117 1.00 0.00 WAT +ATOM 31519 H2 TIP3 8403 -32.492 -40.918 7.795 1.00 0.00 WAT +ATOM 31520 OH2 TIP3 8404 -31.348 -40.573 -1.406 1.00 0.00 WAT +ATOM 31521 H1 TIP3 8404 -31.286 -39.973 -2.165 1.00 0.00 WAT +ATOM 31522 H2 TIP3 8404 -30.997 -40.018 -0.689 1.00 0.00 WAT +ATOM 31523 OH2 TIP3 8405 -33.661 -28.233 -2.431 1.00 0.00 WAT +ATOM 31524 H1 TIP3 8405 -34.468 -27.724 -2.256 1.00 0.00 WAT +ATOM 31525 H2 TIP3 8405 -33.284 -27.757 -3.184 1.00 0.00 WAT +ATOM 31526 OH2 TIP3 8406 -34.027 -38.518 -0.409 1.00 0.00 WAT +ATOM 31527 H1 TIP3 8406 -33.290 -37.884 -0.279 1.00 0.00 WAT +ATOM 31528 H2 TIP3 8406 -34.320 -38.671 0.513 1.00 0.00 WAT +ATOM 31529 OH2 TIP3 8407 -33.718 -37.621 8.725 1.00 0.00 WAT +ATOM 31530 H1 TIP3 8407 -33.605 -37.098 9.536 1.00 0.00 WAT +ATOM 31531 H2 TIP3 8407 -33.119 -38.363 8.875 1.00 0.00 WAT +ATOM 31532 OH2 TIP3 8408 -33.298 -41.738 0.591 1.00 0.00 WAT +ATOM 31533 H1 TIP3 8408 -33.644 -40.989 1.107 1.00 0.00 WAT +ATOM 31534 H2 TIP3 8408 -32.753 -41.283 -0.076 1.00 0.00 WAT +ATOM 31535 OH2 TIP3 8409 -36.465 -27.149 -2.435 1.00 0.00 WAT +ATOM 31536 H1 TIP3 8409 -36.524 -26.332 -2.971 1.00 0.00 WAT +ATOM 31537 H2 TIP3 8409 -36.573 -26.807 -1.528 1.00 0.00 WAT +ATOM 31538 OH2 TIP3 8410 -37.754 -40.505 -2.895 1.00 0.00 WAT +ATOM 31539 H1 TIP3 8410 -37.716 -39.678 -2.380 1.00 0.00 WAT +ATOM 31540 H2 TIP3 8410 -36.877 -40.877 -2.673 1.00 0.00 WAT +ATOM 31541 OH2 TIP3 8411 -27.347 -39.626 9.558 1.00 0.00 WAT +ATOM 31542 H1 TIP3 8411 -28.301 -39.523 9.382 1.00 0.00 WAT +ATOM 31543 H2 TIP3 8411 -27.053 -39.865 8.668 1.00 0.00 WAT +ATOM 31544 OH2 TIP3 8412 -28.894 -35.744 3.641 1.00 0.00 WAT +ATOM 31545 H1 TIP3 8412 -29.703 -36.208 3.361 1.00 0.00 WAT +ATOM 31546 H2 TIP3 8412 -28.393 -36.456 4.099 1.00 0.00 WAT +ATOM 31547 OH2 TIP3 8413 -39.313 -29.570 -3.903 1.00 0.00 WAT +ATOM 31548 H1 TIP3 8413 -38.545 -29.150 -3.480 1.00 0.00 WAT +ATOM 31549 H2 TIP3 8413 -38.855 -30.133 -4.542 1.00 0.00 WAT +ATOM 31550 OH2 TIP3 8414 -41.121 -37.455 -4.764 1.00 0.00 WAT +ATOM 31551 H1 TIP3 8414 -41.063 -36.514 -4.535 1.00 0.00 WAT +ATOM 31552 H2 TIP3 8414 -41.965 -37.539 -5.217 1.00 0.00 WAT +ATOM 31553 OH2 TIP3 8415 -27.878 -26.881 5.030 1.00 0.00 WAT +ATOM 31554 H1 TIP3 8415 -28.041 -26.070 4.512 1.00 0.00 WAT +ATOM 31555 H2 TIP3 8415 -26.941 -26.750 5.253 1.00 0.00 WAT +ATOM 31556 OH2 TIP3 8416 -40.757 -42.364 4.208 1.00 0.00 WAT +ATOM 31557 H1 TIP3 8416 -40.604 -42.558 3.272 1.00 0.00 WAT +ATOM 31558 H2 TIP3 8416 -41.101 -43.218 4.512 1.00 0.00 WAT +ATOM 31559 OH2 TIP3 8417 -41.348 -28.768 0.285 1.00 0.00 WAT +ATOM 31560 H1 TIP3 8417 -42.274 -28.478 0.318 1.00 0.00 WAT +ATOM 31561 H2 TIP3 8417 -41.054 -28.412 -0.564 1.00 0.00 WAT +ATOM 31562 OH2 TIP3 8418 -42.143 -26.046 11.476 1.00 0.00 WAT +ATOM 31563 H1 TIP3 8418 -41.509 -26.039 12.217 1.00 0.00 WAT +ATOM 31564 H2 TIP3 8418 -42.140 -27.008 11.326 1.00 0.00 WAT +ATOM 31565 OH2 TIP3 8419 -37.268 -26.916 13.212 1.00 0.00 WAT +ATOM 31566 H1 TIP3 8419 -36.572 -27.560 13.417 1.00 0.00 WAT +ATOM 31567 H2 TIP3 8419 -37.501 -27.181 12.307 1.00 0.00 WAT +ATOM 31568 OH2 TIP3 8420 -33.226 -27.659 -5.270 1.00 0.00 WAT +ATOM 31569 H1 TIP3 8420 -33.965 -28.294 -5.380 1.00 0.00 WAT +ATOM 31570 H2 TIP3 8420 -32.496 -28.177 -5.648 1.00 0.00 WAT +ATOM 31571 OH2 TIP3 8421 -30.825 -28.633 11.806 1.00 0.00 WAT +ATOM 31572 H1 TIP3 8421 -31.180 -29.465 12.164 1.00 0.00 WAT +ATOM 31573 H2 TIP3 8421 -30.111 -28.422 12.432 1.00 0.00 WAT +ATOM 31574 OH2 TIP3 8422 -28.608 -27.753 -5.172 1.00 0.00 WAT +ATOM 31575 H1 TIP3 8422 -28.424 -28.544 -4.638 1.00 0.00 WAT +ATOM 31576 H2 TIP3 8422 -27.817 -27.705 -5.738 1.00 0.00 WAT +ATOM 31577 OH2 TIP3 8423 -41.998 -32.001 12.103 1.00 0.00 WAT +ATOM 31578 H1 TIP3 8423 -41.892 -32.888 11.729 1.00 0.00 WAT +ATOM 31579 H2 TIP3 8423 -42.866 -31.736 11.764 1.00 0.00 WAT +ATOM 31580 OH2 TIP3 8424 -37.820 -31.955 -5.448 1.00 0.00 WAT +ATOM 31581 H1 TIP3 8424 -37.621 -32.522 -4.684 1.00 0.00 WAT +ATOM 31582 H2 TIP3 8424 -36.954 -31.953 -5.903 1.00 0.00 WAT +ATOM 31583 OH2 TIP3 8425 -35.405 -32.160 11.897 1.00 0.00 WAT +ATOM 31584 H1 TIP3 8425 -35.681 -31.826 11.027 1.00 0.00 WAT +ATOM 31585 H2 TIP3 8425 -35.311 -33.122 11.739 1.00 0.00 WAT +ATOM 31586 OH2 TIP3 8426 -32.613 -30.619 -5.818 1.00 0.00 WAT +ATOM 31587 H1 TIP3 8426 -32.592 -30.652 -4.846 1.00 0.00 WAT +ATOM 31588 H2 TIP3 8426 -32.620 -31.577 -6.024 1.00 0.00 WAT +ATOM 31589 OH2 TIP3 8427 -30.016 -32.534 9.280 1.00 0.00 WAT +ATOM 31590 H1 TIP3 8427 -29.223 -32.015 9.073 1.00 0.00 WAT +ATOM 31591 H2 TIP3 8427 -30.698 -31.843 9.252 1.00 0.00 WAT +ATOM 31592 OH2 TIP3 8428 -41.351 -35.320 11.878 1.00 0.00 WAT +ATOM 31593 H1 TIP3 8428 -40.533 -35.838 11.752 1.00 0.00 WAT +ATOM 31594 H2 TIP3 8428 -41.223 -34.984 12.778 1.00 0.00 WAT +ATOM 31595 OH2 TIP3 8429 -36.747 -33.832 -3.115 1.00 0.00 WAT +ATOM 31596 H1 TIP3 8429 -37.325 -34.356 -2.541 1.00 0.00 WAT +ATOM 31597 H2 TIP3 8429 -36.422 -34.515 -3.737 1.00 0.00 WAT +ATOM 31598 OH2 TIP3 8430 -37.514 -36.083 9.152 1.00 0.00 WAT +ATOM 31599 H1 TIP3 8430 -38.046 -35.285 9.326 1.00 0.00 WAT +ATOM 31600 H2 TIP3 8430 -36.840 -35.739 8.536 1.00 0.00 WAT +ATOM 31601 OH2 TIP3 8431 -35.762 -35.827 -4.844 1.00 0.00 WAT +ATOM 31602 H1 TIP3 8431 -35.785 -35.752 -5.816 1.00 0.00 WAT +ATOM 31603 H2 TIP3 8431 -34.801 -35.878 -4.678 1.00 0.00 WAT +ATOM 31604 OH2 TIP3 8432 -32.191 -33.374 12.712 1.00 0.00 WAT +ATOM 31605 H1 TIP3 8432 -31.294 -33.558 12.393 1.00 0.00 WAT +ATOM 31606 H2 TIP3 8432 -32.434 -34.224 13.105 1.00 0.00 WAT +ATOM 31607 OH2 TIP3 8433 -26.263 -33.327 -5.517 1.00 0.00 WAT +ATOM 31608 H1 TIP3 8433 -26.335 -33.734 -6.393 1.00 0.00 WAT +ATOM 31609 H2 TIP3 8433 -26.328 -32.377 -5.752 1.00 0.00 WAT +ATOM 31610 OH2 TIP3 8434 -36.939 -38.812 10.262 1.00 0.00 WAT +ATOM 31611 H1 TIP3 8434 -36.817 -39.442 9.532 1.00 0.00 WAT +ATOM 31612 H2 TIP3 8434 -37.106 -37.984 9.779 1.00 0.00 WAT +ATOM 31613 OH2 TIP3 8435 -36.514 -40.379 7.684 1.00 0.00 WAT +ATOM 31614 H1 TIP3 8435 -35.990 -39.814 7.076 1.00 0.00 WAT +ATOM 31615 H2 TIP3 8435 -37.429 -40.260 7.347 1.00 0.00 WAT +ATOM 31616 OH2 TIP3 8436 -35.020 -34.880 8.147 1.00 0.00 WAT +ATOM 31617 H1 TIP3 8436 -34.177 -34.959 7.675 1.00 0.00 WAT +ATOM 31618 H2 TIP3 8436 -35.323 -34.002 7.841 1.00 0.00 WAT +ATOM 31619 OH2 TIP3 8437 -30.448 -36.932 12.933 1.00 0.00 WAT +ATOM 31620 H1 TIP3 8437 -30.229 -37.866 13.072 1.00 0.00 WAT +ATOM 31621 H2 TIP3 8437 -29.564 -36.536 12.869 1.00 0.00 WAT +ATOM 31622 OH2 TIP3 8438 -29.481 -34.148 11.418 1.00 0.00 WAT +ATOM 31623 H1 TIP3 8438 -29.816 -33.534 10.730 1.00 0.00 WAT +ATOM 31624 H2 TIP3 8438 -28.576 -34.297 11.075 1.00 0.00 WAT +ATOM 31625 OH2 TIP3 8439 -38.808 -36.915 12.065 1.00 0.00 WAT +ATOM 31626 H1 TIP3 8439 -39.279 -37.767 12.063 1.00 0.00 WAT +ATOM 31627 H2 TIP3 8439 -37.972 -37.155 11.636 1.00 0.00 WAT +ATOM 31628 OH2 TIP3 8440 -36.074 -42.767 8.931 1.00 0.00 WAT +ATOM 31629 H1 TIP3 8440 -35.909 -41.875 8.561 1.00 0.00 WAT +ATOM 31630 H2 TIP3 8440 -36.993 -42.871 8.657 1.00 0.00 WAT +ATOM 31631 OH2 TIP3 8441 -34.570 -38.440 11.860 1.00 0.00 WAT +ATOM 31632 H1 TIP3 8441 -34.879 -38.707 12.743 1.00 0.00 WAT +ATOM 31633 H2 TIP3 8441 -35.376 -38.632 11.340 1.00 0.00 WAT +ATOM 31634 OH2 TIP3 8442 -31.972 -39.445 10.852 1.00 0.00 WAT +ATOM 31635 H1 TIP3 8442 -32.863 -39.315 11.225 1.00 0.00 WAT +ATOM 31636 H2 TIP3 8442 -31.594 -40.105 11.464 1.00 0.00 WAT +ATOM 31637 OH2 TIP3 8443 -30.322 -41.355 12.510 1.00 0.00 WAT +ATOM 31638 H1 TIP3 8443 -30.345 -42.231 12.911 1.00 0.00 WAT +ATOM 31639 H2 TIP3 8443 -30.379 -40.765 13.279 1.00 0.00 WAT +ATOM 31640 OH2 TIP3 8444 -40.022 -39.522 11.945 1.00 0.00 WAT +ATOM 31641 H1 TIP3 8444 -40.228 -40.177 11.256 1.00 0.00 WAT +ATOM 31642 H2 TIP3 8444 -40.401 -39.930 12.741 1.00 0.00 WAT +ATOM 31643 OH2 TIP3 8445 -34.952 -41.475 12.980 1.00 0.00 WAT +ATOM 31644 H1 TIP3 8445 -35.171 -42.287 12.489 1.00 0.00 WAT +ATOM 31645 H2 TIP3 8445 -35.794 -40.991 13.002 1.00 0.00 WAT +ATOM 31646 OH2 TIP3 8446 -36.004 -24.574 -3.737 1.00 0.00 WAT +ATOM 31647 H1 TIP3 8446 -35.045 -24.500 -3.622 1.00 0.00 WAT +ATOM 31648 H2 TIP3 8446 -36.112 -24.180 -4.611 1.00 0.00 WAT +ATOM 31649 OH2 TIP3 8447 -41.989 -29.695 -4.664 1.00 0.00 WAT +ATOM 31650 H1 TIP3 8447 -41.216 -29.752 -4.069 1.00 0.00 WAT +ATOM 31651 H2 TIP3 8447 -42.172 -30.624 -4.865 1.00 0.00 WAT +ATOM 31652 OH2 TIP3 8448 -42.753 -26.899 2.479 1.00 0.00 WAT +ATOM 31653 H1 TIP3 8448 -42.763 -27.803 2.841 1.00 0.00 WAT +ATOM 31654 H2 TIP3 8448 -42.411 -26.419 3.247 1.00 0.00 WAT +ATOM 31655 OH2 TIP3 8449 -25.176 -25.747 5.526 1.00 0.00 WAT +ATOM 31656 H1 TIP3 8449 -24.972 -25.714 6.472 1.00 0.00 WAT +ATOM 31657 H2 TIP3 8449 -24.350 -25.412 5.147 1.00 0.00 WAT +ATOM 31658 OH2 TIP3 8450 -25.302 -26.276 8.428 1.00 0.00 WAT +ATOM 31659 H1 TIP3 8450 -25.751 -27.039 8.022 1.00 0.00 WAT +ATOM 31660 H2 TIP3 8450 -24.673 -26.730 9.009 1.00 0.00 WAT +ATOM 31661 OH2 TIP3 8451 -27.261 -30.862 12.704 1.00 0.00 WAT +ATOM 31662 H1 TIP3 8451 -28.148 -30.766 13.087 1.00 0.00 WAT +ATOM 31663 H2 TIP3 8451 -26.813 -30.044 12.978 1.00 0.00 WAT +ATOM 31664 OH2 TIP3 8452 -25.872 -31.941 -1.576 1.00 0.00 WAT +ATOM 31665 H1 TIP3 8452 -24.966 -31.597 -1.437 1.00 0.00 WAT +ATOM 31666 H2 TIP3 8452 -25.924 -32.575 -0.838 1.00 0.00 WAT +ATOM 31667 OH2 TIP3 8453 -25.356 -33.996 0.432 1.00 0.00 WAT +ATOM 31668 H1 TIP3 8453 -26.048 -34.546 0.845 1.00 0.00 WAT +ATOM 31669 H2 TIP3 8453 -24.694 -33.902 1.142 1.00 0.00 WAT +ATOM 31670 OH2 TIP3 8454 -25.684 -31.502 5.359 1.00 0.00 WAT +ATOM 31671 H1 TIP3 8454 -25.035 -31.991 4.828 1.00 0.00 WAT +ATOM 31672 H2 TIP3 8454 -25.517 -30.585 5.078 1.00 0.00 WAT +ATOM 31673 OH2 TIP3 8455 -26.963 -28.595 7.632 1.00 0.00 WAT +ATOM 31674 H1 TIP3 8455 -27.694 -28.167 8.110 1.00 0.00 WAT +ATOM 31675 H2 TIP3 8455 -27.411 -28.938 6.834 1.00 0.00 WAT +ATOM 31676 OH2 TIP3 8456 -25.172 -34.560 -3.014 1.00 0.00 WAT +ATOM 31677 H1 TIP3 8456 -25.658 -34.253 -3.802 1.00 0.00 WAT +ATOM 31678 H2 TIP3 8456 -25.260 -33.791 -2.430 1.00 0.00 WAT +ATOM 31679 OH2 TIP3 8457 -26.888 -36.985 -4.771 1.00 0.00 WAT +ATOM 31680 H1 TIP3 8457 -26.599 -36.368 -5.459 1.00 0.00 WAT +ATOM 31681 H2 TIP3 8457 -27.115 -37.782 -5.282 1.00 0.00 WAT +ATOM 31682 OH2 TIP3 8458 -27.486 -35.830 1.204 1.00 0.00 WAT +ATOM 31683 H1 TIP3 8458 -27.534 -36.785 1.037 1.00 0.00 WAT +ATOM 31684 H2 TIP3 8458 -27.838 -35.753 2.113 1.00 0.00 WAT +ATOM 31685 OH2 TIP3 8459 -42.558 -33.350 5.188 1.00 0.00 WAT +ATOM 31686 H1 TIP3 8459 -42.223 -33.130 4.307 1.00 0.00 WAT +ATOM 31687 H2 TIP3 8459 -41.762 -33.770 5.585 1.00 0.00 WAT +ATOM 31688 OH2 TIP3 8460 -26.836 -33.939 10.445 1.00 0.00 WAT +ATOM 31689 H1 TIP3 8460 -26.078 -34.550 10.472 1.00 0.00 WAT +ATOM 31690 H2 TIP3 8460 -26.416 -33.117 10.154 1.00 0.00 WAT +ATOM 31691 OH2 TIP3 8461 -25.215 -35.942 11.579 1.00 0.00 WAT +ATOM 31692 H1 TIP3 8461 -26.064 -36.367 11.339 1.00 0.00 WAT +ATOM 31693 H2 TIP3 8461 -24.601 -36.695 11.493 1.00 0.00 WAT +ATOM 31694 OH2 TIP3 8462 -27.451 -39.700 -5.607 1.00 0.00 WAT +ATOM 31695 H1 TIP3 8462 -26.853 -40.119 -4.962 1.00 0.00 WAT +ATOM 31696 H2 TIP3 8462 -28.275 -40.189 -5.487 1.00 0.00 WAT +ATOM 31697 OH2 TIP3 8463 -27.641 -38.273 -0.593 1.00 0.00 WAT +ATOM 31698 H1 TIP3 8463 -27.459 -39.241 -0.543 1.00 0.00 WAT +ATOM 31699 H2 TIP3 8463 -26.821 -37.964 -1.015 1.00 0.00 WAT +ATOM 31700 OH2 TIP3 8464 -27.378 -37.742 4.800 1.00 0.00 WAT +ATOM 31701 H1 TIP3 8464 -26.402 -37.640 4.750 1.00 0.00 WAT +ATOM 31702 H2 TIP3 8464 -27.487 -37.761 5.766 1.00 0.00 WAT +ATOM 31703 OH2 TIP3 8465 -27.232 -37.077 7.667 1.00 0.00 WAT +ATOM 31704 H1 TIP3 8465 -28.059 -36.621 7.904 1.00 0.00 WAT +ATOM 31705 H2 TIP3 8465 -26.643 -36.328 7.450 1.00 0.00 WAT +ATOM 31706 OH2 TIP3 8466 -42.821 -38.378 11.450 1.00 0.00 WAT +ATOM 31707 H1 TIP3 8466 -42.003 -38.801 11.157 1.00 0.00 WAT +ATOM 31708 H2 TIP3 8466 -43.469 -39.099 11.447 1.00 0.00 WAT +ATOM 31709 OH2 TIP3 8467 -24.621 -42.940 13.152 1.00 0.00 WAT +ATOM 31710 H1 TIP3 8467 -24.026 -43.631 12.795 1.00 0.00 WAT +ATOM 31711 H2 TIP3 8467 -24.761 -42.316 12.408 1.00 0.00 WAT +ATOM 31712 OH2 TIP3 8468 -27.335 -40.985 -0.518 1.00 0.00 WAT +ATOM 31713 H1 TIP3 8468 -27.094 -41.476 0.280 1.00 0.00 WAT +ATOM 31714 H2 TIP3 8468 -27.958 -41.604 -0.943 1.00 0.00 WAT +ATOM 31715 OH2 TIP3 8469 -41.938 -39.892 4.374 1.00 0.00 WAT +ATOM 31716 H1 TIP3 8469 -41.602 -40.812 4.426 1.00 0.00 WAT +ATOM 31717 H2 TIP3 8469 -41.136 -39.378 4.568 1.00 0.00 WAT +ATOM 31718 OH2 TIP3 8470 -43.328 -37.266 5.270 1.00 0.00 WAT +ATOM 31719 H1 TIP3 8470 -42.945 -37.785 4.547 1.00 0.00 WAT +ATOM 31720 H2 TIP3 8470 -43.131 -36.367 4.984 1.00 0.00 WAT +ATOM 31721 OH2 TIP3 8471 -25.349 -41.016 11.285 1.00 0.00 WAT +ATOM 31722 H1 TIP3 8471 -26.233 -40.612 11.233 1.00 0.00 WAT +ATOM 31723 H2 TIP3 8471 -25.290 -41.402 10.398 1.00 0.00 WAT +ATOM 31724 OH2 TIP3 8472 -25.212 -40.578 -3.911 1.00 0.00 WAT +ATOM 31725 H1 TIP3 8472 -25.010 -41.423 -4.364 1.00 0.00 WAT +ATOM 31726 H2 TIP3 8472 -24.352 -40.135 -3.879 1.00 0.00 WAT +ATOM 31727 OH2 TIP3 8473 -43.157 -41.082 -1.163 1.00 0.00 WAT +ATOM 31728 H1 TIP3 8473 -43.985 -40.792 -1.566 1.00 0.00 WAT +ATOM 31729 H2 TIP3 8473 -42.545 -40.397 -1.521 1.00 0.00 WAT +ATOM 31730 OH2 TIP3 8474 -28.282 -25.678 1.330 1.00 0.00 WAT +ATOM 31731 H1 TIP3 8474 -27.807 -25.918 0.514 1.00 0.00 WAT +ATOM 31732 H2 TIP3 8474 -27.574 -25.269 1.844 1.00 0.00 WAT +ATOM 31733 OH2 TIP3 8475 -42.917 -41.639 7.193 1.00 0.00 WAT +ATOM 31734 H1 TIP3 8475 -43.500 -42.254 7.690 1.00 0.00 WAT +ATOM 31735 H2 TIP3 8475 -43.280 -41.671 6.298 1.00 0.00 WAT +ATOM 31736 OH2 TIP3 8476 -41.198 -28.613 11.823 1.00 0.00 WAT +ATOM 31737 H1 TIP3 8476 -41.677 -29.264 11.301 1.00 0.00 WAT +ATOM 31738 H2 TIP3 8476 -41.339 -28.961 12.734 1.00 0.00 WAT +ATOM 31739 OH2 TIP3 8477 -38.019 -27.961 7.744 1.00 0.00 WAT +ATOM 31740 H1 TIP3 8477 -38.324 -27.127 7.344 1.00 0.00 WAT +ATOM 31741 H2 TIP3 8477 -37.061 -27.884 7.558 1.00 0.00 WAT +ATOM 31742 OH2 TIP3 8478 -33.529 -26.669 10.733 1.00 0.00 WAT +ATOM 31743 H1 TIP3 8478 -33.352 -26.845 11.670 1.00 0.00 WAT +ATOM 31744 H2 TIP3 8478 -32.700 -26.222 10.460 1.00 0.00 WAT +ATOM 31745 OH2 TIP3 8479 -31.253 -25.230 9.974 1.00 0.00 WAT +ATOM 31746 H1 TIP3 8479 -30.544 -25.841 9.721 1.00 0.00 WAT +ATOM 31747 H2 TIP3 8479 -30.925 -24.905 10.834 1.00 0.00 WAT +ATOM 31748 OH2 TIP3 8480 -26.771 -42.824 9.193 1.00 0.00 WAT +ATOM 31749 H1 TIP3 8480 -27.102 -42.105 8.630 1.00 0.00 WAT +ATOM 31750 H2 TIP3 8480 -26.628 -43.508 8.521 1.00 0.00 WAT +ATOM 31751 OH2 TIP3 8481 -40.697 -24.916 7.978 1.00 0.00 WAT +ATOM 31752 H1 TIP3 8481 -41.373 -24.411 7.492 1.00 0.00 WAT +ATOM 31753 H2 TIP3 8481 -41.020 -24.849 8.882 1.00 0.00 WAT +ATOM 31754 OH2 TIP3 8482 -38.186 -25.256 6.610 1.00 0.00 WAT +ATOM 31755 H1 TIP3 8482 -39.049 -25.055 7.024 1.00 0.00 WAT +ATOM 31756 H2 TIP3 8482 -38.135 -24.580 5.910 1.00 0.00 WAT +ATOM 31757 OH2 TIP3 8483 -33.430 -25.255 6.169 1.00 0.00 WAT +ATOM 31758 H1 TIP3 8483 -33.773 -24.803 5.378 1.00 0.00 WAT +ATOM 31759 H2 TIP3 8483 -33.310 -24.507 6.782 1.00 0.00 WAT +ATOM 31760 OH2 TIP3 8484 -31.085 -26.549 7.091 1.00 0.00 WAT +ATOM 31761 H1 TIP3 8484 -31.917 -26.172 6.749 1.00 0.00 WAT +ATOM 31762 H2 TIP3 8484 -30.491 -25.783 7.046 1.00 0.00 WAT +ATOM 31763 OH2 TIP3 8485 -28.590 -24.817 7.252 1.00 0.00 WAT +ATOM 31764 H1 TIP3 8485 -28.586 -23.859 7.051 1.00 0.00 WAT +ATOM 31765 H2 TIP3 8485 -28.255 -25.172 6.411 1.00 0.00 WAT +ATOM 31766 OH2 TIP3 8486 -41.239 -26.153 4.951 1.00 0.00 WAT +ATOM 31767 H1 TIP3 8486 -41.332 -26.621 5.806 1.00 0.00 WAT +ATOM 31768 H2 TIP3 8486 -40.491 -26.642 4.558 1.00 0.00 WAT +ATOM 31769 OH2 TIP3 8487 -39.106 -27.426 3.466 1.00 0.00 WAT +ATOM 31770 H1 TIP3 8487 -39.257 -28.358 3.724 1.00 0.00 WAT +ATOM 31771 H2 TIP3 8487 -38.193 -27.280 3.781 1.00 0.00 WAT +ATOM 31772 OH2 TIP3 8488 -36.321 -27.016 4.319 1.00 0.00 WAT +ATOM 31773 H1 TIP3 8488 -36.119 -27.939 4.086 1.00 0.00 WAT +ATOM 31774 H2 TIP3 8488 -36.224 -27.053 5.284 1.00 0.00 WAT +ATOM 31775 OH2 TIP3 8489 -33.005 -41.120 3.607 1.00 0.00 WAT +ATOM 31776 H1 TIP3 8489 -33.623 -41.824 3.890 1.00 0.00 WAT +ATOM 31777 H2 TIP3 8489 -32.401 -41.608 3.026 1.00 0.00 WAT +ATOM 31778 OH2 TIP3 8490 -27.717 -43.337 4.039 1.00 0.00 WAT +ATOM 31779 H1 TIP3 8490 -27.122 -42.877 3.423 1.00 0.00 WAT +ATOM 31780 H2 TIP3 8490 -28.588 -43.035 3.751 1.00 0.00 WAT +ATOM 31781 OH2 TIP3 8491 -25.750 -42.265 1.876 1.00 0.00 WAT +ATOM 31782 H1 TIP3 8491 -25.218 -42.418 1.091 1.00 0.00 WAT +ATOM 31783 H2 TIP3 8491 -25.558 -41.320 2.052 1.00 0.00 WAT +ATOM 31784 OH2 TIP3 8492 -40.730 -42.812 0.952 1.00 0.00 WAT +ATOM 31785 H1 TIP3 8492 -41.601 -43.137 0.687 1.00 0.00 WAT +ATOM 31786 H2 TIP3 8492 -40.286 -43.609 1.255 1.00 0.00 WAT +ATOM 31787 OH2 TIP3 8493 -42.053 -43.004 -3.003 1.00 0.00 WAT +ATOM 31788 H1 TIP3 8493 -41.698 -42.329 -3.608 1.00 0.00 WAT +ATOM 31789 H2 TIP3 8493 -42.592 -42.457 -2.399 1.00 0.00 WAT +ATOM 31790 OH2 TIP3 8494 -36.137 -42.191 1.255 1.00 0.00 WAT +ATOM 31791 H1 TIP3 8494 -35.219 -42.342 0.985 1.00 0.00 WAT +ATOM 31792 H2 TIP3 8494 -36.354 -42.982 1.759 1.00 0.00 WAT +ATOM 31793 OH2 TIP3 8495 -30.605 -42.648 2.557 1.00 0.00 WAT +ATOM 31794 H1 TIP3 8495 -30.258 -42.610 1.657 1.00 0.00 WAT +ATOM 31795 H2 TIP3 8495 -30.723 -43.595 2.715 1.00 0.00 WAT +ATOM 31796 OH2 TIP3 8496 -29.496 -42.724 -1.476 1.00 0.00 WAT +ATOM 31797 H1 TIP3 8496 -30.243 -42.123 -1.673 1.00 0.00 WAT +ATOM 31798 H2 TIP3 8496 -29.906 -43.596 -1.520 1.00 0.00 WAT +ATOM 31799 OH2 TIP3 8497 -41.889 -26.918 -1.977 1.00 0.00 WAT +ATOM 31800 H1 TIP3 8497 -42.500 -27.112 -2.696 1.00 0.00 WAT +ATOM 31801 H2 TIP3 8497 -41.821 -25.955 -2.020 1.00 0.00 WAT +ATOM 31802 OH2 TIP3 8498 -40.082 -41.110 -4.437 1.00 0.00 WAT +ATOM 31803 H1 TIP3 8498 -39.426 -41.581 -4.976 1.00 0.00 WAT +ATOM 31804 H2 TIP3 8498 -39.505 -40.698 -3.765 1.00 0.00 WAT +ATOM 31805 OH2 TIP3 8499 -34.920 -40.590 -2.104 1.00 0.00 WAT +ATOM 31806 H1 TIP3 8499 -34.824 -41.431 -1.613 1.00 0.00 WAT +ATOM 31807 H2 TIP3 8499 -34.702 -39.913 -1.434 1.00 0.00 WAT +ATOM 31808 OH2 TIP3 8500 -32.958 -25.131 -3.665 1.00 0.00 WAT +ATOM 31809 H1 TIP3 8500 -31.983 -25.114 -3.703 1.00 0.00 WAT +ATOM 31810 H2 TIP3 8500 -33.139 -25.801 -4.345 1.00 0.00 WAT +ATOM 31811 OH2 TIP3 8501 -26.483 -26.085 -1.028 1.00 0.00 WAT +ATOM 31812 H1 TIP3 8501 -26.651 -26.924 -1.499 1.00 0.00 WAT +ATOM 31813 H2 TIP3 8501 -26.385 -25.466 -1.766 1.00 0.00 WAT +ATOM 31814 OH2 TIP3 8502 -41.099 -41.760 10.388 1.00 0.00 WAT +ATOM 31815 H1 TIP3 8502 -41.591 -42.449 10.880 1.00 0.00 WAT +ATOM 31816 H2 TIP3 8502 -40.269 -42.238 10.240 1.00 0.00 WAT +ATOM 31817 OH2 TIP3 8503 -38.083 -42.770 12.986 1.00 0.00 WAT +ATOM 31818 H1 TIP3 8503 -37.219 -43.026 12.587 1.00 0.00 WAT +ATOM 31819 H2 TIP3 8503 -38.276 -43.547 13.520 1.00 0.00 WAT +ATOM 31820 OH2 TIP3 8504 -40.119 -25.920 -5.002 1.00 0.00 WAT +ATOM 31821 H1 TIP3 8504 -40.394 -25.757 -4.089 1.00 0.00 WAT +ATOM 31822 H2 TIP3 8504 -39.415 -26.582 -4.885 1.00 0.00 WAT +ATOM 31823 OH2 TIP3 8505 -26.971 -27.352 11.333 1.00 0.00 WAT +ATOM 31824 H1 TIP3 8505 -27.679 -27.521 10.685 1.00 0.00 WAT +ATOM 31825 H2 TIP3 8505 -27.095 -26.397 11.490 1.00 0.00 WAT +ATOM 31826 OH2 TIP3 8506 -12.758 -33.670 1.443 1.00 0.00 WAT +ATOM 31827 H1 TIP3 8506 -12.739 -32.701 1.539 1.00 0.00 WAT +ATOM 31828 H2 TIP3 8506 -13.525 -33.776 0.865 1.00 0.00 WAT +ATOM 31829 OH2 TIP3 8507 -13.828 -34.245 4.497 1.00 0.00 WAT +ATOM 31830 H1 TIP3 8507 -13.948 -34.781 5.296 1.00 0.00 WAT +ATOM 31831 H2 TIP3 8507 -14.170 -34.827 3.804 1.00 0.00 WAT +ATOM 31832 OH2 TIP3 8508 -21.549 -34.741 6.431 1.00 0.00 WAT +ATOM 31833 H1 TIP3 8508 -21.322 -35.607 6.796 1.00 0.00 WAT +ATOM 31834 H2 TIP3 8508 -20.680 -34.317 6.421 1.00 0.00 WAT +ATOM 31835 OH2 TIP3 8509 -10.178 -31.519 2.809 1.00 0.00 WAT +ATOM 31836 H1 TIP3 8509 -10.592 -32.169 3.389 1.00 0.00 WAT +ATOM 31837 H2 TIP3 8509 -9.952 -30.821 3.437 1.00 0.00 WAT +ATOM 31838 OH2 TIP3 8510 -20.760 -30.046 4.717 1.00 0.00 WAT +ATOM 31839 H1 TIP3 8510 -20.974 -30.971 4.486 1.00 0.00 WAT +ATOM 31840 H2 TIP3 8510 -19.804 -30.123 4.861 1.00 0.00 WAT +ATOM 31841 OH2 TIP3 8511 -23.823 -36.654 0.068 1.00 0.00 WAT +ATOM 31842 H1 TIP3 8511 -24.154 -35.747 0.179 1.00 0.00 WAT +ATOM 31843 H2 TIP3 8511 -24.556 -37.069 -0.403 1.00 0.00 WAT +ATOM 31844 OH2 TIP3 8512 -22.898 -34.327 2.077 1.00 0.00 WAT +ATOM 31845 H1 TIP3 8512 -22.673 -35.137 2.571 1.00 0.00 WAT +ATOM 31846 H2 TIP3 8512 -22.092 -34.182 1.565 1.00 0.00 WAT +ATOM 31847 OH2 TIP3 8513 -13.242 -26.244 3.363 1.00 0.00 WAT +ATOM 31848 H1 TIP3 8513 -12.504 -26.820 3.099 1.00 0.00 WAT +ATOM 31849 H2 TIP3 8513 -13.389 -26.504 4.278 1.00 0.00 WAT +ATOM 31850 OH2 TIP3 8514 -15.407 -31.717 5.090 1.00 0.00 WAT +ATOM 31851 H1 TIP3 8514 -15.081 -32.394 4.476 1.00 0.00 WAT +ATOM 31852 H2 TIP3 8514 -14.582 -31.547 5.585 1.00 0.00 WAT +ATOM 31853 OH2 TIP3 8515 -6.852 -40.183 5.647 1.00 0.00 WAT +ATOM 31854 H1 TIP3 8515 -6.516 -39.716 6.427 1.00 0.00 WAT +ATOM 31855 H2 TIP3 8515 -6.208 -39.885 4.978 1.00 0.00 WAT +ATOM 31856 OH2 TIP3 8516 -12.144 -37.400 5.624 1.00 0.00 WAT +ATOM 31857 H1 TIP3 8516 -11.920 -38.345 5.593 1.00 0.00 WAT +ATOM 31858 H2 TIP3 8516 -12.195 -37.189 4.677 1.00 0.00 WAT +ATOM 31859 OH2 TIP3 8517 -19.066 -39.438 2.857 1.00 0.00 WAT +ATOM 31860 H1 TIP3 8517 -19.147 -38.491 2.675 1.00 0.00 WAT +ATOM 31861 H2 TIP3 8517 -19.596 -39.816 2.139 1.00 0.00 WAT +ATOM 31862 OH2 TIP3 8518 -11.255 -39.230 1.023 1.00 0.00 WAT +ATOM 31863 H1 TIP3 8518 -10.626 -39.640 1.651 1.00 0.00 WAT +ATOM 31864 H2 TIP3 8518 -10.647 -38.765 0.428 1.00 0.00 WAT +ATOM 31865 OH2 TIP3 8519 -22.082 -36.812 3.401 1.00 0.00 WAT +ATOM 31866 H1 TIP3 8519 -21.477 -37.307 3.973 1.00 0.00 WAT +ATOM 31867 H2 TIP3 8519 -22.052 -37.333 2.581 1.00 0.00 WAT +ATOM 31868 OH2 TIP3 8520 -17.109 -35.238 2.653 1.00 0.00 WAT +ATOM 31869 H1 TIP3 8520 -16.397 -35.781 3.038 1.00 0.00 WAT +ATOM 31870 H2 TIP3 8520 -17.602 -35.904 2.137 1.00 0.00 WAT +ATOM 31871 OH2 TIP3 8521 -5.903 -38.473 8.311 1.00 0.00 WAT +ATOM 31872 H1 TIP3 8521 -6.644 -37.954 7.955 1.00 0.00 WAT +ATOM 31873 H2 TIP3 8521 -6.312 -38.899 9.071 1.00 0.00 WAT +ATOM 31874 OH2 TIP3 8522 -12.886 -30.859 0.231 1.00 0.00 WAT +ATOM 31875 H1 TIP3 8522 -13.098 -30.975 -0.701 1.00 0.00 WAT +ATOM 31876 H2 TIP3 8522 -13.277 -29.986 0.422 1.00 0.00 WAT +ATOM 31877 OH2 TIP3 8523 -17.382 -32.721 6.957 1.00 0.00 WAT +ATOM 31878 H1 TIP3 8523 -18.127 -32.120 7.164 1.00 0.00 WAT +ATOM 31879 H2 TIP3 8523 -16.779 -32.132 6.463 1.00 0.00 WAT +ATOM 31880 OH2 TIP3 8524 -9.370 -40.164 3.059 1.00 0.00 WAT +ATOM 31881 H1 TIP3 8524 -9.880 -40.574 3.768 1.00 0.00 WAT +ATOM 31882 H2 TIP3 8524 -8.852 -39.505 3.553 1.00 0.00 WAT +ATOM 31883 OH2 TIP3 8525 -19.429 -30.831 7.727 1.00 0.00 WAT +ATOM 31884 H1 TIP3 8525 -19.430 -29.944 7.325 1.00 0.00 WAT +ATOM 31885 H2 TIP3 8525 -20.305 -30.818 8.156 1.00 0.00 WAT +ATOM 31886 OH2 TIP3 8526 -23.138 -31.112 -1.438 1.00 0.00 WAT +ATOM 31887 H1 TIP3 8526 -23.273 -30.607 -2.257 1.00 0.00 WAT +ATOM 31888 H2 TIP3 8526 -22.929 -30.409 -0.783 1.00 0.00 WAT +ATOM 31889 OH2 TIP3 8527 -9.657 -29.661 5.337 1.00 0.00 WAT +ATOM 31890 H1 TIP3 8527 -10.624 -29.528 5.326 1.00 0.00 WAT +ATOM 31891 H2 TIP3 8527 -9.362 -28.815 4.954 1.00 0.00 WAT +ATOM 31892 OH2 TIP3 8528 -9.230 -41.111 7.047 1.00 0.00 WAT +ATOM 31893 H1 TIP3 8528 -10.028 -40.773 6.607 1.00 0.00 WAT +ATOM 31894 H2 TIP3 8528 -8.555 -40.958 6.358 1.00 0.00 WAT +ATOM 31895 OH2 TIP3 8529 -16.325 43.828 4.006 1.00 0.00 WAT +ATOM 31896 H1 TIP3 8529 -16.270 42.909 4.291 1.00 0.00 WAT +ATOM 31897 H2 TIP3 8529 -17.081 44.201 4.496 1.00 0.00 WAT +ATOM 31898 OH2 TIP3 8530 -11.157 -27.720 2.044 1.00 0.00 WAT +ATOM 31899 H1 TIP3 8530 -10.828 -28.451 1.488 1.00 0.00 WAT +ATOM 31900 H2 TIP3 8530 -11.018 -26.953 1.481 1.00 0.00 WAT +ATOM 31901 OH2 TIP3 8531 -9.857 -29.777 0.399 1.00 0.00 WAT +ATOM 31902 H1 TIP3 8531 -10.301 -30.280 -0.299 1.00 0.00 WAT +ATOM 31903 H2 TIP3 8531 -9.880 -30.408 1.138 1.00 0.00 WAT +ATOM 31904 OH2 TIP3 8532 -8.347 -31.064 9.011 1.00 0.00 WAT +ATOM 31905 H1 TIP3 8532 -8.459 -31.674 8.260 1.00 0.00 WAT +ATOM 31906 H2 TIP3 8532 -8.260 -30.203 8.548 1.00 0.00 WAT +ATOM 31907 OH2 TIP3 8533 -14.131 -34.174 -1.318 1.00 0.00 WAT +ATOM 31908 H1 TIP3 8533 -14.766 -33.513 -1.659 1.00 0.00 WAT +ATOM 31909 H2 TIP3 8533 -13.387 -34.058 -1.929 1.00 0.00 WAT +ATOM 31910 OH2 TIP3 8534 -13.803 -35.980 -4.241 1.00 0.00 WAT +ATOM 31911 H1 TIP3 8534 -13.130 -35.647 -3.619 1.00 0.00 WAT +ATOM 31912 H2 TIP3 8534 -13.253 -36.516 -4.832 1.00 0.00 WAT +ATOM 31913 OH2 TIP3 8535 -6.610 -34.882 6.945 1.00 0.00 WAT +ATOM 31914 H1 TIP3 8535 -7.326 -34.220 7.012 1.00 0.00 WAT +ATOM 31915 H2 TIP3 8535 -6.119 -34.539 6.171 1.00 0.00 WAT +ATOM 31916 OH2 TIP3 8536 -10.599 -34.178 -0.222 1.00 0.00 WAT +ATOM 31917 H1 TIP3 8536 -11.267 -33.913 0.450 1.00 0.00 WAT +ATOM 31918 H2 TIP3 8536 -9.980 -34.695 0.321 1.00 0.00 WAT +ATOM 31919 OH2 TIP3 8537 -10.778 -35.622 8.607 1.00 0.00 WAT +ATOM 31920 H1 TIP3 8537 -10.691 -34.805 9.127 1.00 0.00 WAT +ATOM 31921 H2 TIP3 8537 -11.396 -35.295 7.929 1.00 0.00 WAT +ATOM 31922 OH2 TIP3 8538 -19.050 -33.404 1.599 1.00 0.00 WAT +ATOM 31923 H1 TIP3 8538 -19.316 -33.810 0.752 1.00 0.00 WAT +ATOM 31924 H2 TIP3 8538 -18.338 -34.000 1.894 1.00 0.00 WAT +ATOM 31925 OH2 TIP3 8539 -17.680 -30.038 4.324 1.00 0.00 WAT +ATOM 31926 H1 TIP3 8539 -17.727 -30.327 3.402 1.00 0.00 WAT +ATOM 31927 H2 TIP3 8539 -16.841 -30.444 4.618 1.00 0.00 WAT +ATOM 31928 OH2 TIP3 8540 -18.505 -34.796 5.143 1.00 0.00 WAT +ATOM 31929 H1 TIP3 8540 -17.936 -34.744 4.354 1.00 0.00 WAT +ATOM 31930 H2 TIP3 8540 -18.091 -34.166 5.753 1.00 0.00 WAT +ATOM 31931 OH2 TIP3 8541 -12.472 -29.055 5.628 1.00 0.00 WAT +ATOM 31932 H1 TIP3 8541 -12.441 -28.348 6.295 1.00 0.00 WAT +ATOM 31933 H2 TIP3 8541 -12.670 -29.858 6.138 1.00 0.00 WAT +ATOM 31934 OH2 TIP3 8542 -17.580 -30.284 9.937 1.00 0.00 WAT +ATOM 31935 H1 TIP3 8542 -18.092 -29.560 10.343 1.00 0.00 WAT +ATOM 31936 H2 TIP3 8542 -18.173 -30.537 9.201 1.00 0.00 WAT +ATOM 31937 OH2 TIP3 8543 -11.608 -34.735 -2.759 1.00 0.00 WAT +ATOM 31938 H1 TIP3 8543 -11.159 -34.417 -1.945 1.00 0.00 WAT +ATOM 31939 H2 TIP3 8543 -11.135 -34.199 -3.443 1.00 0.00 WAT +ATOM 31940 OH2 TIP3 8544 -20.400 -34.173 9.157 1.00 0.00 WAT +ATOM 31941 H1 TIP3 8544 -20.420 -33.467 9.824 1.00 0.00 WAT +ATOM 31942 H2 TIP3 8544 -21.303 -34.139 8.812 1.00 0.00 WAT +ATOM 31943 OH2 TIP3 8545 -14.200 -28.140 0.881 1.00 0.00 WAT +ATOM 31944 H1 TIP3 8545 -13.661 -27.729 1.569 1.00 0.00 WAT +ATOM 31945 H2 TIP3 8545 -14.535 -27.367 0.410 1.00 0.00 WAT +ATOM 31946 OH2 TIP3 8546 -19.442 -28.072 10.719 1.00 0.00 WAT +ATOM 31947 H1 TIP3 8546 -19.523 -27.966 9.752 1.00 0.00 WAT +ATOM 31948 H2 TIP3 8546 -20.341 -28.334 10.984 1.00 0.00 WAT +ATOM 31949 OH2 TIP3 8547 -8.436 -43.233 -3.547 1.00 0.00 WAT +ATOM 31950 H1 TIP3 8547 -8.851 -43.228 -2.673 1.00 0.00 WAT +ATOM 31951 H2 TIP3 8547 -7.662 -42.679 -3.366 1.00 0.00 WAT +ATOM 31952 OH2 TIP3 8548 -20.062 -34.633 -0.915 1.00 0.00 WAT +ATOM 31953 H1 TIP3 8548 -20.258 -33.867 -1.483 1.00 0.00 WAT +ATOM 31954 H2 TIP3 8548 -20.730 -35.268 -1.198 1.00 0.00 WAT +ATOM 31955 OH2 TIP3 8549 -6.851 -28.443 -4.556 1.00 0.00 WAT +ATOM 31956 H1 TIP3 8549 -6.627 -27.529 -4.353 1.00 0.00 WAT +ATOM 31957 H2 TIP3 8549 -6.041 -28.924 -4.313 1.00 0.00 WAT +ATOM 31958 OH2 TIP3 8550 -24.027 -31.954 7.830 1.00 0.00 WAT +ATOM 31959 H1 TIP3 8550 -24.425 -31.956 6.938 1.00 0.00 WAT +ATOM 31960 H2 TIP3 8550 -23.866 -32.904 7.980 1.00 0.00 WAT +ATOM 31961 OH2 TIP3 8551 -23.964 -29.060 4.764 1.00 0.00 WAT +ATOM 31962 H1 TIP3 8551 -23.029 -29.315 4.785 1.00 0.00 WAT +ATOM 31963 H2 TIP3 8551 -23.992 -28.404 5.476 1.00 0.00 WAT +ATOM 31964 OH2 TIP3 8552 -5.573 -28.419 10.564 1.00 0.00 WAT +ATOM 31965 H1 TIP3 8552 -5.692 -29.354 10.325 1.00 0.00 WAT +ATOM 31966 H2 TIP3 8552 -6.491 -28.172 10.809 1.00 0.00 WAT +ATOM 31967 OH2 TIP3 8553 -14.908 -29.221 9.354 1.00 0.00 WAT +ATOM 31968 H1 TIP3 8553 -14.845 -28.368 9.826 1.00 0.00 WAT +ATOM 31969 H2 TIP3 8553 -15.831 -29.481 9.530 1.00 0.00 WAT +ATOM 31970 OH2 TIP3 8554 -20.739 -26.305 0.881 1.00 0.00 WAT +ATOM 31971 H1 TIP3 8554 -20.665 -26.673 1.783 1.00 0.00 WAT +ATOM 31972 H2 TIP3 8554 -21.647 -26.536 0.647 1.00 0.00 WAT +ATOM 31973 OH2 TIP3 8555 -8.795 -37.098 10.928 1.00 0.00 WAT +ATOM 31974 H1 TIP3 8555 -9.267 -36.670 10.200 1.00 0.00 WAT +ATOM 31975 H2 TIP3 8555 -8.705 -38.011 10.600 1.00 0.00 WAT +ATOM 31976 OH2 TIP3 8556 -21.838 -30.402 9.093 1.00 0.00 WAT +ATOM 31977 H1 TIP3 8556 -21.538 -30.924 9.864 1.00 0.00 WAT +ATOM 31978 H2 TIP3 8556 -22.561 -30.942 8.725 1.00 0.00 WAT +ATOM 31979 OH2 TIP3 8557 -18.760 -41.940 5.320 1.00 0.00 WAT +ATOM 31980 H1 TIP3 8557 -19.521 -42.179 4.780 1.00 0.00 WAT +ATOM 31981 H2 TIP3 8557 -18.961 -40.995 5.480 1.00 0.00 WAT +ATOM 31982 OH2 TIP3 8558 -14.062 -42.641 8.541 1.00 0.00 WAT +ATOM 31983 H1 TIP3 8558 -13.902 -43.102 9.369 1.00 0.00 WAT +ATOM 31984 H2 TIP3 8558 -15.024 -42.754 8.442 1.00 0.00 WAT +ATOM 31985 OH2 TIP3 8559 -11.101 -38.651 8.966 1.00 0.00 WAT +ATOM 31986 H1 TIP3 8559 -11.660 -38.730 9.760 1.00 0.00 WAT +ATOM 31987 H2 TIP3 8559 -11.124 -37.698 8.771 1.00 0.00 WAT +ATOM 31988 OH2 TIP3 8560 -10.125 -33.641 -4.787 1.00 0.00 WAT +ATOM 31989 H1 TIP3 8560 -10.264 -33.801 -5.738 1.00 0.00 WAT +ATOM 31990 H2 TIP3 8560 -9.209 -33.310 -4.785 1.00 0.00 WAT +ATOM 31991 OH2 TIP3 8561 -14.424 -39.952 -4.305 1.00 0.00 WAT +ATOM 31992 H1 TIP3 8561 -14.976 -40.031 -3.504 1.00 0.00 WAT +ATOM 31993 H2 TIP3 8561 -14.928 -40.550 -4.898 1.00 0.00 WAT +ATOM 31994 OH2 TIP3 8562 -18.808 -37.042 1.121 1.00 0.00 WAT +ATOM 31995 H1 TIP3 8562 -19.760 -37.182 0.986 1.00 0.00 WAT +ATOM 31996 H2 TIP3 8562 -18.464 -37.297 0.246 1.00 0.00 WAT +ATOM 31997 OH2 TIP3 8563 -13.229 -36.530 -0.129 1.00 0.00 WAT +ATOM 31998 H1 TIP3 8563 -13.630 -35.687 -0.439 1.00 0.00 WAT +ATOM 31999 H2 TIP3 8563 -12.542 -36.657 -0.803 1.00 0.00 WAT +ATOM 32000 OH2 TIP3 8564 -14.077 -36.298 11.275 1.00 0.00 WAT +ATOM 32001 H1 TIP3 8564 -14.559 -37.089 11.571 1.00 0.00 WAT +ATOM 32002 H2 TIP3 8564 -13.188 -36.438 11.655 1.00 0.00 WAT +ATOM 32003 OH2 TIP3 8565 -12.343 -37.122 2.678 1.00 0.00 WAT +ATOM 32004 H1 TIP3 8565 -12.646 -36.517 1.971 1.00 0.00 WAT +ATOM 32005 H2 TIP3 8565 -12.144 -37.913 2.138 1.00 0.00 WAT +ATOM 32006 OH2 TIP3 8566 -18.036 -39.469 -5.350 1.00 0.00 WAT +ATOM 32007 H1 TIP3 8566 -18.398 -39.802 -4.510 1.00 0.00 WAT +ATOM 32008 H2 TIP3 8566 -18.829 -39.264 -5.861 1.00 0.00 WAT +ATOM 32009 OH2 TIP3 8567 -24.603 -39.689 1.767 1.00 0.00 WAT +ATOM 32010 H1 TIP3 8567 -23.979 -39.487 2.487 1.00 0.00 WAT +ATOM 32011 H2 TIP3 8567 -24.020 -39.893 1.028 1.00 0.00 WAT +ATOM 32012 OH2 TIP3 8568 -23.014 -39.118 -2.584 1.00 0.00 WAT +ATOM 32013 H1 TIP3 8568 -22.456 -38.613 -3.210 1.00 0.00 WAT +ATOM 32014 H2 TIP3 8568 -23.707 -38.457 -2.396 1.00 0.00 WAT +ATOM 32015 OH2 TIP3 8569 -13.338 -35.432 7.142 1.00 0.00 WAT +ATOM 32016 H1 TIP3 8569 -12.864 -36.127 6.634 1.00 0.00 WAT +ATOM 32017 H2 TIP3 8569 -13.602 -35.905 7.939 1.00 0.00 WAT +ATOM 32018 OH2 TIP3 8570 -16.276 -39.531 2.134 1.00 0.00 WAT +ATOM 32019 H1 TIP3 8570 -17.216 -39.500 2.411 1.00 0.00 WAT +ATOM 32020 H2 TIP3 8570 -15.832 -39.649 2.985 1.00 0.00 WAT +ATOM 32021 OH2 TIP3 8571 -21.505 -38.259 0.841 1.00 0.00 WAT +ATOM 32022 H1 TIP3 8571 -22.298 -37.939 0.372 1.00 0.00 WAT +ATOM 32023 H2 TIP3 8571 -21.223 -39.040 0.328 1.00 0.00 WAT +ATOM 32024 OH2 TIP3 8572 -17.845 -37.952 -1.524 1.00 0.00 WAT +ATOM 32025 H1 TIP3 8572 -16.885 -37.819 -1.458 1.00 0.00 WAT +ATOM 32026 H2 TIP3 8572 -18.112 -37.326 -2.220 1.00 0.00 WAT +ATOM 32027 OH2 TIP3 8573 -11.707 -40.346 5.152 1.00 0.00 WAT +ATOM 32028 H1 TIP3 8573 -12.354 -40.347 5.885 1.00 0.00 WAT +ATOM 32029 H2 TIP3 8573 -12.290 -40.621 4.422 1.00 0.00 WAT +ATOM 32030 OH2 TIP3 8574 -19.393 -36.739 -3.740 1.00 0.00 WAT +ATOM 32031 H1 TIP3 8574 -19.960 -36.948 -4.497 1.00 0.00 WAT +ATOM 32032 H2 TIP3 8574 -18.576 -36.472 -4.198 1.00 0.00 WAT +ATOM 32033 OH2 TIP3 8575 -8.621 -24.603 11.811 1.00 0.00 WAT +ATOM 32034 H1 TIP3 8575 -8.475 -24.093 10.993 1.00 0.00 WAT +ATOM 32035 H2 TIP3 8575 -7.940 -24.216 12.388 1.00 0.00 WAT +ATOM 32036 OH2 TIP3 8576 -20.724 -31.977 11.227 1.00 0.00 WAT +ATOM 32037 H1 TIP3 8576 -20.063 -31.831 11.930 1.00 0.00 WAT +ATOM 32038 H2 TIP3 8576 -21.540 -31.972 11.760 1.00 0.00 WAT +ATOM 32039 OH2 TIP3 8577 -15.042 -36.969 3.948 1.00 0.00 WAT +ATOM 32040 H1 TIP3 8577 -14.270 -37.397 3.547 1.00 0.00 WAT +ATOM 32041 H2 TIP3 8577 -15.253 -37.561 4.690 1.00 0.00 WAT +ATOM 32042 OH2 TIP3 8578 -19.877 -40.612 0.224 1.00 0.00 WAT +ATOM 32043 H1 TIP3 8578 -20.281 -41.485 0.343 1.00 0.00 WAT +ATOM 32044 H2 TIP3 8578 -19.018 -40.833 -0.160 1.00 0.00 WAT +ATOM 32045 OH2 TIP3 8579 -16.406 -38.367 6.343 1.00 0.00 WAT +ATOM 32046 H1 TIP3 8579 -17.190 -37.804 6.277 1.00 0.00 WAT +ATOM 32047 H2 TIP3 8579 -15.913 -37.991 7.097 1.00 0.00 WAT +ATOM 32048 OH2 TIP3 8580 -15.930 -32.088 -1.903 1.00 0.00 WAT +ATOM 32049 H1 TIP3 8580 -16.707 -32.575 -2.248 1.00 0.00 WAT +ATOM 32050 H2 TIP3 8580 -16.124 -32.030 -0.940 1.00 0.00 WAT +ATOM 32051 OH2 TIP3 8581 -8.696 -32.953 6.845 1.00 0.00 WAT +ATOM 32052 H1 TIP3 8581 -8.196 -32.390 6.213 1.00 0.00 WAT +ATOM 32053 H2 TIP3 8581 -9.551 -33.045 6.378 1.00 0.00 WAT +ATOM 32054 OH2 TIP3 8582 -11.743 -39.317 -4.274 1.00 0.00 WAT +ATOM 32055 H1 TIP3 8582 -12.727 -39.373 -4.253 1.00 0.00 WAT +ATOM 32056 H2 TIP3 8582 -11.553 -38.622 -3.610 1.00 0.00 WAT +ATOM 32057 OH2 TIP3 8583 -14.319 -32.115 9.453 1.00 0.00 WAT +ATOM 32058 H1 TIP3 8583 -14.568 -32.340 10.355 1.00 0.00 WAT +ATOM 32059 H2 TIP3 8583 -14.557 -31.175 9.392 1.00 0.00 WAT +ATOM 32060 OH2 TIP3 8584 -11.095 -37.495 -2.142 1.00 0.00 WAT +ATOM 32061 H1 TIP3 8584 -10.229 -37.607 -1.704 1.00 0.00 WAT +ATOM 32062 H2 TIP3 8584 -11.031 -36.583 -2.486 1.00 0.00 WAT +ATOM 32063 OH2 TIP3 8585 -20.683 -32.870 4.027 1.00 0.00 WAT +ATOM 32064 H1 TIP3 8585 -20.169 -32.880 3.200 1.00 0.00 WAT +ATOM 32065 H2 TIP3 8585 -20.558 -33.779 4.334 1.00 0.00 WAT +ATOM 32066 OH2 TIP3 8586 -13.521 -30.699 -2.931 1.00 0.00 WAT +ATOM 32067 H1 TIP3 8586 -13.771 -29.803 -2.627 1.00 0.00 WAT +ATOM 32068 H2 TIP3 8586 -14.312 -31.208 -2.681 1.00 0.00 WAT +ATOM 32069 OH2 TIP3 8587 -23.631 -34.409 9.271 1.00 0.00 WAT +ATOM 32070 H1 TIP3 8587 -23.373 -34.968 10.023 1.00 0.00 WAT +ATOM 32071 H2 TIP3 8587 -24.108 -35.023 8.689 1.00 0.00 WAT +ATOM 32072 OH2 TIP3 8588 -16.951 -35.412 10.855 1.00 0.00 WAT +ATOM 32073 H1 TIP3 8588 -16.925 -35.136 9.909 1.00 0.00 WAT +ATOM 32074 H2 TIP3 8588 -15.993 -35.360 11.028 1.00 0.00 WAT +ATOM 32075 OH2 TIP3 8589 -12.033 -29.625 8.956 1.00 0.00 WAT +ATOM 32076 H1 TIP3 8589 -12.974 -29.412 8.835 1.00 0.00 WAT +ATOM 32077 H2 TIP3 8589 -11.841 -29.209 9.808 1.00 0.00 WAT +ATOM 32078 OH2 TIP3 8590 -6.484 -37.447 -2.325 1.00 0.00 WAT +ATOM 32079 H1 TIP3 8590 -7.053 -37.622 -3.102 1.00 0.00 WAT +ATOM 32080 H2 TIP3 8590 -6.366 -36.482 -2.451 1.00 0.00 WAT +ATOM 32081 OH2 TIP3 8591 -6.036 -31.436 10.479 1.00 0.00 WAT +ATOM 32082 H1 TIP3 8591 -6.965 -31.193 10.278 1.00 0.00 WAT +ATOM 32083 H2 TIP3 8591 -5.693 -31.580 9.575 1.00 0.00 WAT +ATOM 32084 OH2 TIP3 8592 -11.056 -33.526 5.192 1.00 0.00 WAT +ATOM 32085 H1 TIP3 8592 -11.982 -33.647 4.901 1.00 0.00 WAT +ATOM 32086 H2 TIP3 8592 -10.607 -34.207 4.653 1.00 0.00 WAT +ATOM 32087 OH2 TIP3 8593 -18.413 -29.368 1.197 1.00 0.00 WAT +ATOM 32088 H1 TIP3 8593 -17.935 -28.539 1.040 1.00 0.00 WAT +ATOM 32089 H2 TIP3 8593 -19.301 -29.132 0.901 1.00 0.00 WAT +ATOM 32090 OH2 TIP3 8594 -22.406 -34.632 -4.193 1.00 0.00 WAT +ATOM 32091 H1 TIP3 8594 -21.820 -33.955 -3.805 1.00 0.00 WAT +ATOM 32092 H2 TIP3 8594 -23.278 -34.318 -3.893 1.00 0.00 WAT +ATOM 32093 OH2 TIP3 8595 -16.588 -31.745 0.806 1.00 0.00 WAT +ATOM 32094 H1 TIP3 8595 -16.813 -30.812 0.950 1.00 0.00 WAT +ATOM 32095 H2 TIP3 8595 -17.318 -32.191 1.256 1.00 0.00 WAT +ATOM 32096 OH2 TIP3 8596 -16.404 -27.465 7.180 1.00 0.00 WAT +ATOM 32097 H1 TIP3 8596 -15.892 -26.713 6.825 1.00 0.00 WAT +ATOM 32098 H2 TIP3 8596 -15.725 -27.926 7.692 1.00 0.00 WAT +ATOM 32099 OH2 TIP3 8597 -17.935 -26.431 0.323 1.00 0.00 WAT +ATOM 32100 H1 TIP3 8597 -18.893 -26.276 0.420 1.00 0.00 WAT +ATOM 32101 H2 TIP3 8597 -17.553 -25.650 0.747 1.00 0.00 WAT +ATOM 32102 OH2 TIP3 8598 -12.995 -31.727 6.727 1.00 0.00 WAT +ATOM 32103 H1 TIP3 8598 -13.266 -32.004 7.618 1.00 0.00 WAT +ATOM 32104 H2 TIP3 8598 -12.255 -32.328 6.540 1.00 0.00 WAT +ATOM 32105 OH2 TIP3 8599 -10.819 -30.253 -4.402 1.00 0.00 WAT +ATOM 32106 H1 TIP3 8599 -10.347 -30.682 -3.668 1.00 0.00 WAT +ATOM 32107 H2 TIP3 8599 -11.731 -30.400 -4.104 1.00 0.00 WAT +ATOM 32108 OH2 TIP3 8600 -10.059 -27.149 9.109 1.00 0.00 WAT +ATOM 32109 H1 TIP3 8600 -10.814 -27.544 8.636 1.00 0.00 WAT +ATOM 32110 H2 TIP3 8600 -9.906 -26.335 8.589 1.00 0.00 WAT +ATOM 32111 OH2 TIP3 8601 -9.892 -31.788 -2.012 1.00 0.00 WAT +ATOM 32112 H1 TIP3 8601 -10.075 -32.502 -1.382 1.00 0.00 WAT +ATOM 32113 H2 TIP3 8601 -8.928 -31.684 -1.931 1.00 0.00 WAT +ATOM 32114 OH2 TIP3 8602 -22.486 -28.024 7.221 1.00 0.00 WAT +ATOM 32115 H1 TIP3 8602 -22.127 -28.913 7.356 1.00 0.00 WAT +ATOM 32116 H2 TIP3 8602 -22.193 -27.583 8.029 1.00 0.00 WAT +ATOM 32117 OH2 TIP3 8603 -16.549 -29.301 -5.949 1.00 0.00 WAT +ATOM 32118 H1 TIP3 8603 -16.242 -30.171 -6.248 1.00 0.00 WAT +ATOM 32119 H2 TIP3 8603 -16.988 -29.508 -5.112 1.00 0.00 WAT +ATOM 32120 OH2 TIP3 8604 -17.788 -29.746 -2.950 1.00 0.00 WAT +ATOM 32121 H1 TIP3 8604 -17.192 -30.249 -2.379 1.00 0.00 WAT +ATOM 32122 H2 TIP3 8604 -17.525 -28.824 -2.762 1.00 0.00 WAT +ATOM 32123 OH2 TIP3 8605 -20.922 -32.418 -2.667 1.00 0.00 WAT +ATOM 32124 H1 TIP3 8605 -21.629 -32.012 -2.130 1.00 0.00 WAT +ATOM 32125 H2 TIP3 8605 -20.441 -31.623 -2.962 1.00 0.00 WAT +ATOM 32126 OH2 TIP3 8606 -13.335 -40.059 7.438 1.00 0.00 WAT +ATOM 32127 H1 TIP3 8606 -12.663 -39.811 8.088 1.00 0.00 WAT +ATOM 32128 H2 TIP3 8606 -13.672 -40.911 7.772 1.00 0.00 WAT +ATOM 32129 OH2 TIP3 8607 -12.482 -40.583 -1.410 1.00 0.00 WAT +ATOM 32130 H1 TIP3 8607 -12.450 -39.980 -2.169 1.00 0.00 WAT +ATOM 32131 H2 TIP3 8607 -12.152 -40.011 -0.696 1.00 0.00 WAT +ATOM 32132 OH2 TIP3 8608 -14.814 -28.132 -2.400 1.00 0.00 WAT +ATOM 32133 H1 TIP3 8608 -15.590 -27.553 -2.344 1.00 0.00 WAT +ATOM 32134 H2 TIP3 8608 -14.339 -27.710 -3.142 1.00 0.00 WAT +ATOM 32135 OH2 TIP3 8609 -15.143 -38.579 -0.368 1.00 0.00 WAT +ATOM 32136 H1 TIP3 8609 -14.446 -37.897 -0.249 1.00 0.00 WAT +ATOM 32137 H2 TIP3 8609 -15.514 -38.651 0.531 1.00 0.00 WAT +ATOM 32138 OH2 TIP3 8610 -14.956 -37.633 8.743 1.00 0.00 WAT +ATOM 32139 H1 TIP3 8610 -14.717 -37.087 9.510 1.00 0.00 WAT +ATOM 32140 H2 TIP3 8610 -14.289 -38.333 8.750 1.00 0.00 WAT +ATOM 32141 OH2 TIP3 8611 -14.491 -41.707 0.589 1.00 0.00 WAT +ATOM 32142 H1 TIP3 8611 -14.812 -40.945 1.100 1.00 0.00 WAT +ATOM 32143 H2 TIP3 8611 -13.920 -41.271 -0.069 1.00 0.00 WAT +ATOM 32144 OH2 TIP3 8612 -17.478 -26.905 -2.597 1.00 0.00 WAT +ATOM 32145 H1 TIP3 8612 -17.473 -26.065 -3.071 1.00 0.00 WAT +ATOM 32146 H2 TIP3 8612 -17.728 -26.626 -1.698 1.00 0.00 WAT +ATOM 32147 OH2 TIP3 8613 -18.935 -40.505 -2.863 1.00 0.00 WAT +ATOM 32148 H1 TIP3 8613 -18.885 -39.664 -2.372 1.00 0.00 WAT +ATOM 32149 H2 TIP3 8613 -18.054 -40.871 -2.652 1.00 0.00 WAT +ATOM 32150 OH2 TIP3 8614 -8.461 -39.631 9.534 1.00 0.00 WAT +ATOM 32151 H1 TIP3 8614 -9.426 -39.524 9.427 1.00 0.00 WAT +ATOM 32152 H2 TIP3 8614 -8.243 -39.876 8.623 1.00 0.00 WAT +ATOM 32153 OH2 TIP3 8615 -10.041 -35.740 3.637 1.00 0.00 WAT +ATOM 32154 H1 TIP3 8615 -10.860 -36.185 3.354 1.00 0.00 WAT +ATOM 32155 H2 TIP3 8615 -9.551 -36.463 4.086 1.00 0.00 WAT +ATOM 32156 OH2 TIP3 8616 -20.517 -29.667 -3.896 1.00 0.00 WAT +ATOM 32157 H1 TIP3 8616 -19.838 -29.091 -3.501 1.00 0.00 WAT +ATOM 32158 H2 TIP3 8616 -19.969 -30.110 -4.563 1.00 0.00 WAT +ATOM 32159 OH2 TIP3 8617 -22.346 -37.459 -4.786 1.00 0.00 WAT +ATOM 32160 H1 TIP3 8617 -22.187 -36.520 -4.568 1.00 0.00 WAT +ATOM 32161 H2 TIP3 8617 -23.210 -37.415 -5.214 1.00 0.00 WAT +ATOM 32162 OH2 TIP3 8618 -8.995 -26.848 5.064 1.00 0.00 WAT +ATOM 32163 H1 TIP3 8618 -9.192 -26.085 4.481 1.00 0.00 WAT +ATOM 32164 H2 TIP3 8618 -8.050 -26.687 5.226 1.00 0.00 WAT +ATOM 32165 OH2 TIP3 8619 -22.178 -42.483 4.100 1.00 0.00 WAT +ATOM 32166 H1 TIP3 8619 -21.768 -42.420 3.227 1.00 0.00 WAT +ATOM 32167 H2 TIP3 8619 -21.961 -43.374 4.376 1.00 0.00 WAT +ATOM 32168 OH2 TIP3 8620 -22.573 -28.914 0.215 1.00 0.00 WAT +ATOM 32169 H1 TIP3 8620 -23.284 -28.326 0.503 1.00 0.00 WAT +ATOM 32170 H2 TIP3 8620 -22.104 -28.336 -0.409 1.00 0.00 WAT +ATOM 32171 OH2 TIP3 8621 -23.110 -25.986 11.439 1.00 0.00 WAT +ATOM 32172 H1 TIP3 8621 -22.545 -26.272 12.180 1.00 0.00 WAT +ATOM 32173 H2 TIP3 8621 -23.492 -26.832 11.132 1.00 0.00 WAT +ATOM 32174 OH2 TIP3 8622 -18.140 -26.920 13.406 1.00 0.00 WAT +ATOM 32175 H1 TIP3 8622 -17.628 -27.749 13.373 1.00 0.00 WAT +ATOM 32176 H2 TIP3 8622 -18.552 -26.957 12.527 1.00 0.00 WAT +ATOM 32177 OH2 TIP3 8623 -14.252 -27.765 -5.081 1.00 0.00 WAT +ATOM 32178 H1 TIP3 8623 -15.048 -28.181 -5.457 1.00 0.00 WAT +ATOM 32179 H2 TIP3 8623 -13.579 -27.945 -5.746 1.00 0.00 WAT +ATOM 32180 OH2 TIP3 8624 -12.054 -28.531 11.903 1.00 0.00 WAT +ATOM 32181 H1 TIP3 8624 -12.374 -29.401 12.194 1.00 0.00 WAT +ATOM 32182 H2 TIP3 8624 -11.269 -28.392 12.463 1.00 0.00 WAT +ATOM 32183 OH2 TIP3 8625 -23.160 -32.360 12.556 1.00 0.00 WAT +ATOM 32184 H1 TIP3 8625 -23.041 -33.233 12.152 1.00 0.00 WAT +ATOM 32185 H2 TIP3 8625 -23.921 -32.031 12.037 1.00 0.00 WAT +ATOM 32186 OH2 TIP3 8626 -18.954 -31.948 -5.436 1.00 0.00 WAT +ATOM 32187 H1 TIP3 8626 -18.757 -32.516 -4.673 1.00 0.00 WAT +ATOM 32188 H2 TIP3 8626 -18.077 -31.907 -5.864 1.00 0.00 WAT +ATOM 32189 OH2 TIP3 8627 -16.600 -32.213 11.898 1.00 0.00 WAT +ATOM 32190 H1 TIP3 8627 -16.836 -31.795 11.047 1.00 0.00 WAT +ATOM 32191 H2 TIP3 8627 -16.478 -33.139 11.661 1.00 0.00 WAT +ATOM 32192 OH2 TIP3 8628 -13.692 -30.612 -5.908 1.00 0.00 WAT +ATOM 32193 H1 TIP3 8628 -13.757 -30.524 -4.942 1.00 0.00 WAT +ATOM 32194 H2 TIP3 8628 -13.749 -31.583 -6.014 1.00 0.00 WAT +ATOM 32195 OH2 TIP3 8629 -11.162 -32.524 9.295 1.00 0.00 WAT +ATOM 32196 H1 TIP3 8629 -10.366 -32.017 9.070 1.00 0.00 WAT +ATOM 32197 H2 TIP3 8629 -11.832 -31.820 9.242 1.00 0.00 WAT +ATOM 32198 OH2 TIP3 8630 -22.081 -35.259 11.729 1.00 0.00 WAT +ATOM 32199 H1 TIP3 8630 -21.982 -36.212 11.805 1.00 0.00 WAT +ATOM 32200 H2 TIP3 8630 -22.284 -35.004 12.642 1.00 0.00 WAT +ATOM 32201 OH2 TIP3 8631 -17.876 -33.853 -3.114 1.00 0.00 WAT +ATOM 32202 H1 TIP3 8631 -18.457 -34.368 -2.537 1.00 0.00 WAT +ATOM 32203 H2 TIP3 8631 -17.559 -34.535 -3.739 1.00 0.00 WAT +ATOM 32204 OH2 TIP3 8632 -16.918 -35.853 -4.846 1.00 0.00 WAT +ATOM 32205 H1 TIP3 8632 -16.949 -35.728 -5.813 1.00 0.00 WAT +ATOM 32206 H2 TIP3 8632 -15.955 -35.865 -4.686 1.00 0.00 WAT +ATOM 32207 OH2 TIP3 8633 -13.337 -33.372 12.733 1.00 0.00 WAT +ATOM 32208 H1 TIP3 8633 -12.446 -33.519 12.380 1.00 0.00 WAT +ATOM 32209 H2 TIP3 8633 -13.543 -34.241 13.101 1.00 0.00 WAT +ATOM 32210 OH2 TIP3 8634 -7.427 -33.284 -5.537 1.00 0.00 WAT +ATOM 32211 H1 TIP3 8634 -7.523 -33.621 -6.438 1.00 0.00 WAT +ATOM 32212 H2 TIP3 8634 -7.463 -32.316 -5.693 1.00 0.00 WAT +ATOM 32213 OH2 TIP3 8635 -17.729 -40.323 8.014 1.00 0.00 WAT +ATOM 32214 H1 TIP3 8635 -17.191 -39.773 7.414 1.00 0.00 WAT +ATOM 32215 H2 TIP3 8635 -18.627 -40.057 7.703 1.00 0.00 WAT +ATOM 32216 OH2 TIP3 8636 -16.204 -34.878 8.264 1.00 0.00 WAT +ATOM 32217 H1 TIP3 8636 -15.421 -34.987 7.703 1.00 0.00 WAT +ATOM 32218 H2 TIP3 8636 -16.613 -34.088 7.848 1.00 0.00 WAT +ATOM 32219 OH2 TIP3 8637 -11.608 -36.929 12.947 1.00 0.00 WAT +ATOM 32220 H1 TIP3 8637 -11.365 -37.862 13.036 1.00 0.00 WAT +ATOM 32221 H2 TIP3 8637 -10.735 -36.511 12.863 1.00 0.00 WAT +ATOM 32222 OH2 TIP3 8638 -10.624 -34.159 11.408 1.00 0.00 WAT +ATOM 32223 H1 TIP3 8638 -10.961 -33.532 10.732 1.00 0.00 WAT +ATOM 32224 H2 TIP3 8638 -9.715 -34.284 11.065 1.00 0.00 WAT +ATOM 32225 OH2 TIP3 8639 -16.961 -42.929 8.692 1.00 0.00 WAT +ATOM 32226 H1 TIP3 8639 -17.178 -41.981 8.525 1.00 0.00 WAT +ATOM 32227 H2 TIP3 8639 -17.729 -43.357 8.284 1.00 0.00 WAT +ATOM 32228 OH2 TIP3 8640 -15.934 -38.431 11.758 1.00 0.00 WAT +ATOM 32229 H1 TIP3 8640 -16.088 -38.706 12.679 1.00 0.00 WAT +ATOM 32230 H2 TIP3 8640 -16.506 -39.057 11.302 1.00 0.00 WAT +ATOM 32231 OH2 TIP3 8641 -13.115 -39.395 10.913 1.00 0.00 WAT +ATOM 32232 H1 TIP3 8641 -14.038 -39.360 11.205 1.00 0.00 WAT +ATOM 32233 H2 TIP3 8641 -12.746 -40.092 11.486 1.00 0.00 WAT +ATOM 32234 OH2 TIP3 8642 -11.431 -41.357 12.514 1.00 0.00 WAT +ATOM 32235 H1 TIP3 8642 -11.541 -42.236 12.897 1.00 0.00 WAT +ATOM 32236 H2 TIP3 8642 -11.538 -40.771 13.282 1.00 0.00 WAT +ATOM 32237 OH2 TIP3 8643 -20.745 -39.424 11.760 1.00 0.00 WAT +ATOM 32238 H1 TIP3 8643 -21.152 -40.079 11.158 1.00 0.00 WAT +ATOM 32239 H2 TIP3 8643 -21.252 -39.611 12.569 1.00 0.00 WAT +ATOM 32240 OH2 TIP3 8644 -16.138 -41.398 12.893 1.00 0.00 WAT +ATOM 32241 H1 TIP3 8644 -16.262 -42.281 12.489 1.00 0.00 WAT +ATOM 32242 H2 TIP3 8644 -17.051 -41.126 13.057 1.00 0.00 WAT +ATOM 32243 OH2 TIP3 8645 -23.238 -30.195 -4.222 1.00 0.00 WAT +ATOM 32244 H1 TIP3 8645 -22.283 -30.012 -4.064 1.00 0.00 WAT +ATOM 32245 H2 TIP3 8645 -23.199 -30.993 -4.786 1.00 0.00 WAT +ATOM 32246 OH2 TIP3 8646 -24.171 -24.990 0.566 1.00 0.00 WAT +ATOM 32247 H1 TIP3 8646 -24.882 -25.355 0.018 1.00 0.00 WAT +ATOM 32248 H2 TIP3 8646 -24.053 -25.678 1.248 1.00 0.00 WAT +ATOM 32249 OH2 TIP3 8647 -23.856 -27.012 2.520 1.00 0.00 WAT +ATOM 32250 H1 TIP3 8647 -24.131 -27.876 2.864 1.00 0.00 WAT +ATOM 32251 H2 TIP3 8647 -23.469 -26.632 3.325 1.00 0.00 WAT +ATOM 32252 OH2 TIP3 8648 -6.225 -25.924 5.534 1.00 0.00 WAT +ATOM 32253 H1 TIP3 8648 -6.190 -25.641 6.459 1.00 0.00 WAT +ATOM 32254 H2 TIP3 8648 -5.551 -25.344 5.158 1.00 0.00 WAT +ATOM 32255 OH2 TIP3 8649 -6.446 -26.260 8.481 1.00 0.00 WAT +ATOM 32256 H1 TIP3 8649 -6.894 -26.985 8.014 1.00 0.00 WAT +ATOM 32257 H2 TIP3 8649 -5.852 -26.755 9.061 1.00 0.00 WAT +ATOM 32258 OH2 TIP3 8650 -8.411 -30.853 12.716 1.00 0.00 WAT +ATOM 32259 H1 TIP3 8650 -9.297 -30.736 13.098 1.00 0.00 WAT +ATOM 32260 H2 TIP3 8650 -7.964 -30.025 12.963 1.00 0.00 WAT +ATOM 32261 OH2 TIP3 8651 -6.971 -32.065 -1.632 1.00 0.00 WAT +ATOM 32262 H1 TIP3 8651 -6.119 -31.623 -1.465 1.00 0.00 WAT +ATOM 32263 H2 TIP3 8651 -7.054 -32.611 -0.831 1.00 0.00 WAT +ATOM 32264 OH2 TIP3 8652 -6.532 -34.009 0.413 1.00 0.00 WAT +ATOM 32265 H1 TIP3 8652 -7.206 -34.565 0.850 1.00 0.00 WAT +ATOM 32266 H2 TIP3 8652 -5.858 -33.874 1.104 1.00 0.00 WAT +ATOM 32267 OH2 TIP3 8653 -6.808 -31.496 5.403 1.00 0.00 WAT +ATOM 32268 H1 TIP3 8653 -6.204 -31.955 4.801 1.00 0.00 WAT +ATOM 32269 H2 TIP3 8653 -6.719 -30.575 5.099 1.00 0.00 WAT +ATOM 32270 OH2 TIP3 8654 -8.113 -28.642 7.652 1.00 0.00 WAT +ATOM 32271 H1 TIP3 8654 -8.819 -28.136 8.090 1.00 0.00 WAT +ATOM 32272 H2 TIP3 8654 -8.548 -28.914 6.820 1.00 0.00 WAT +ATOM 32273 OH2 TIP3 8655 -6.303 -34.539 -3.026 1.00 0.00 WAT +ATOM 32274 H1 TIP3 8655 -6.802 -34.234 -3.806 1.00 0.00 WAT +ATOM 32275 H2 TIP3 8655 -6.437 -33.777 -2.433 1.00 0.00 WAT +ATOM 32276 OH2 TIP3 8656 -8.009 -37.009 -4.764 1.00 0.00 WAT +ATOM 32277 H1 TIP3 8656 -7.762 -36.355 -5.434 1.00 0.00 WAT +ATOM 32278 H2 TIP3 8656 -8.251 -37.784 -5.301 1.00 0.00 WAT +ATOM 32279 OH2 TIP3 8657 -8.582 -35.852 1.232 1.00 0.00 WAT +ATOM 32280 H1 TIP3 8657 -8.698 -36.796 1.036 1.00 0.00 WAT +ATOM 32281 H2 TIP3 8657 -8.993 -35.758 2.114 1.00 0.00 WAT +ATOM 32282 OH2 TIP3 8658 -23.729 -33.627 4.946 1.00 0.00 WAT +ATOM 32283 H1 TIP3 8658 -23.450 -33.627 4.013 1.00 0.00 WAT +ATOM 32284 H2 TIP3 8658 -22.891 -33.884 5.385 1.00 0.00 WAT +ATOM 32285 OH2 TIP3 8659 -8.012 -33.933 10.382 1.00 0.00 WAT +ATOM 32286 H1 TIP3 8659 -7.246 -34.519 10.521 1.00 0.00 WAT +ATOM 32287 H2 TIP3 8659 -7.591 -33.094 10.141 1.00 0.00 WAT +ATOM 32288 OH2 TIP3 8660 -6.454 -35.845 11.601 1.00 0.00 WAT +ATOM 32289 H1 TIP3 8660 -7.243 -36.366 11.347 1.00 0.00 WAT +ATOM 32290 H2 TIP3 8660 -5.752 -36.519 11.560 1.00 0.00 WAT +ATOM 32291 OH2 TIP3 8661 -8.585 -39.722 -5.629 1.00 0.00 WAT +ATOM 32292 H1 TIP3 8661 -8.003 -40.118 -4.956 1.00 0.00 WAT +ATOM 32293 H2 TIP3 8661 -9.424 -40.178 -5.484 1.00 0.00 WAT +ATOM 32294 OH2 TIP3 8662 -8.782 -38.272 -0.579 1.00 0.00 WAT +ATOM 32295 H1 TIP3 8662 -8.596 -39.239 -0.544 1.00 0.00 WAT +ATOM 32296 H2 TIP3 8662 -7.969 -37.953 -1.007 1.00 0.00 WAT +ATOM 32297 OH2 TIP3 8663 -8.527 -37.757 4.794 1.00 0.00 WAT +ATOM 32298 H1 TIP3 8663 -7.553 -37.666 4.757 1.00 0.00 WAT +ATOM 32299 H2 TIP3 8663 -8.657 -37.744 5.756 1.00 0.00 WAT +ATOM 32300 OH2 TIP3 8664 -8.381 -37.051 7.673 1.00 0.00 WAT +ATOM 32301 H1 TIP3 8664 -9.223 -36.615 7.901 1.00 0.00 WAT +ATOM 32302 H2 TIP3 8664 -7.823 -36.285 7.433 1.00 0.00 WAT +ATOM 32303 OH2 TIP3 8665 -23.767 -38.379 11.459 1.00 0.00 WAT +ATOM 32304 H1 TIP3 8665 -22.886 -38.691 11.223 1.00 0.00 WAT +ATOM 32305 H2 TIP3 8665 -24.286 -39.195 11.343 1.00 0.00 WAT +ATOM 32306 OH2 TIP3 8666 -6.205 -42.762 13.427 1.00 0.00 WAT +ATOM 32307 H1 TIP3 8666 -5.694 -43.548 13.201 1.00 0.00 WAT +ATOM 32308 H2 TIP3 8666 -6.187 -42.182 12.631 1.00 0.00 WAT +ATOM 32309 OH2 TIP3 8667 -8.471 -40.989 -0.518 1.00 0.00 WAT +ATOM 32310 H1 TIP3 8667 -8.237 -41.482 0.280 1.00 0.00 WAT +ATOM 32311 H2 TIP3 8667 -9.100 -41.601 -0.946 1.00 0.00 WAT +ATOM 32312 OH2 TIP3 8668 -22.804 -39.777 4.162 1.00 0.00 WAT +ATOM 32313 H1 TIP3 8668 -22.591 -40.727 4.245 1.00 0.00 WAT +ATOM 32314 H2 TIP3 8668 -22.205 -39.405 4.833 1.00 0.00 WAT +ATOM 32315 OH2 TIP3 8669 -24.584 -37.183 4.987 1.00 0.00 WAT +ATOM 32316 H1 TIP3 8669 -23.845 -37.400 4.400 1.00 0.00 WAT +ATOM 32317 H2 TIP3 8669 -24.153 -36.565 5.593 1.00 0.00 WAT +ATOM 32318 OH2 TIP3 8670 -6.424 -41.118 11.267 1.00 0.00 WAT +ATOM 32319 H1 TIP3 8670 -7.276 -40.645 11.326 1.00 0.00 WAT +ATOM 32320 H2 TIP3 8670 -6.497 -41.462 10.359 1.00 0.00 WAT +ATOM 32321 OH2 TIP3 8671 -6.362 -40.580 -3.909 1.00 0.00 WAT +ATOM 32322 H1 TIP3 8671 -6.149 -41.424 -4.360 1.00 0.00 WAT +ATOM 32323 H2 TIP3 8671 -5.506 -40.129 -3.867 1.00 0.00 WAT +ATOM 32324 OH2 TIP3 8672 -23.996 -41.061 -0.841 1.00 0.00 WAT +ATOM 32325 H1 TIP3 8672 -24.949 -40.917 -0.978 1.00 0.00 WAT +ATOM 32326 H2 TIP3 8672 -23.598 -40.344 -1.381 1.00 0.00 WAT +ATOM 32327 OH2 TIP3 8673 -8.571 -25.638 0.609 1.00 0.00 WAT +ATOM 32328 H1 TIP3 8673 -8.885 -26.542 0.590 1.00 0.00 WAT +ATOM 32329 H2 TIP3 8673 -8.940 -25.284 1.434 1.00 0.00 WAT +ATOM 32330 OH2 TIP3 8674 -24.591 -41.416 7.768 1.00 0.00 WAT +ATOM 32331 H1 TIP3 8674 -24.095 -42.209 8.032 1.00 0.00 WAT +ATOM 32332 H2 TIP3 8674 -24.336 -41.342 6.839 1.00 0.00 WAT +ATOM 32333 OH2 TIP3 8675 -22.009 -29.027 12.084 1.00 0.00 WAT +ATOM 32334 H1 TIP3 8675 -22.692 -29.004 11.396 1.00 0.00 WAT +ATOM 32335 H2 TIP3 8675 -22.530 -28.960 12.892 1.00 0.00 WAT +ATOM 32336 OH2 TIP3 8676 -19.172 -27.945 7.747 1.00 0.00 WAT +ATOM 32337 H1 TIP3 8676 -19.474 -27.105 7.352 1.00 0.00 WAT +ATOM 32338 H2 TIP3 8676 -18.217 -27.872 7.543 1.00 0.00 WAT +ATOM 32339 OH2 TIP3 8677 -14.677 -26.641 10.803 1.00 0.00 WAT +ATOM 32340 H1 TIP3 8677 -14.402 -26.866 11.702 1.00 0.00 WAT +ATOM 32341 H2 TIP3 8677 -13.845 -26.237 10.462 1.00 0.00 WAT +ATOM 32342 OH2 TIP3 8678 -12.372 -25.389 10.062 1.00 0.00 WAT +ATOM 32343 H1 TIP3 8678 -11.604 -25.908 9.782 1.00 0.00 WAT +ATOM 32344 H2 TIP3 8678 -12.018 -24.941 10.855 1.00 0.00 WAT +ATOM 32345 OH2 TIP3 8679 -7.801 -42.776 9.172 1.00 0.00 WAT +ATOM 32346 H1 TIP3 8679 -8.282 -42.132 8.623 1.00 0.00 WAT +ATOM 32347 H2 TIP3 8679 -7.626 -43.456 8.502 1.00 0.00 WAT +ATOM 32348 OH2 TIP3 8680 -21.831 -25.062 8.079 1.00 0.00 WAT +ATOM 32349 H1 TIP3 8680 -22.381 -24.412 7.602 1.00 0.00 WAT +ATOM 32350 H2 TIP3 8680 -22.132 -24.901 8.983 1.00 0.00 WAT +ATOM 32351 OH2 TIP3 8681 -19.332 -25.281 6.558 1.00 0.00 WAT +ATOM 32352 H1 TIP3 8681 -20.153 -25.018 7.012 1.00 0.00 WAT +ATOM 32353 H2 TIP3 8681 -19.236 -24.587 5.877 1.00 0.00 WAT +ATOM 32354 OH2 TIP3 8682 -14.663 -25.291 6.131 1.00 0.00 WAT +ATOM 32355 H1 TIP3 8682 -14.929 -24.805 5.324 1.00 0.00 WAT +ATOM 32356 H2 TIP3 8682 -14.515 -24.546 6.749 1.00 0.00 WAT +ATOM 32357 OH2 TIP3 8683 -12.261 -26.544 7.083 1.00 0.00 WAT +ATOM 32358 H1 TIP3 8683 -13.092 -26.164 6.740 1.00 0.00 WAT +ATOM 32359 H2 TIP3 8683 -11.681 -25.767 7.050 1.00 0.00 WAT +ATOM 32360 OH2 TIP3 8684 -9.691 -24.833 7.266 1.00 0.00 WAT +ATOM 32361 H1 TIP3 8684 -9.774 -23.877 7.068 1.00 0.00 WAT +ATOM 32362 H2 TIP3 8684 -9.423 -25.168 6.393 1.00 0.00 WAT +ATOM 32363 OH2 TIP3 8685 -22.249 -26.260 4.968 1.00 0.00 WAT +ATOM 32364 H1 TIP3 8685 -22.224 -26.708 5.839 1.00 0.00 WAT +ATOM 32365 H2 TIP3 8685 -21.447 -26.637 4.549 1.00 0.00 WAT +ATOM 32366 OH2 TIP3 8686 -20.215 -27.466 3.461 1.00 0.00 WAT +ATOM 32367 H1 TIP3 8686 -20.318 -28.406 3.703 1.00 0.00 WAT +ATOM 32368 H2 TIP3 8686 -19.287 -27.292 3.731 1.00 0.00 WAT +ATOM 32369 OH2 TIP3 8687 -17.537 -27.063 4.308 1.00 0.00 WAT +ATOM 32370 H1 TIP3 8687 -17.231 -27.962 4.110 1.00 0.00 WAT +ATOM 32371 H2 TIP3 8687 -17.380 -27.016 5.263 1.00 0.00 WAT +ATOM 32372 OH2 TIP3 8688 -14.136 -41.094 3.622 1.00 0.00 WAT +ATOM 32373 H1 TIP3 8688 -14.801 -41.763 3.861 1.00 0.00 WAT +ATOM 32374 H2 TIP3 8688 -13.571 -41.578 3.001 1.00 0.00 WAT +ATOM 32375 OH2 TIP3 8689 -8.876 -43.331 4.044 1.00 0.00 WAT +ATOM 32376 H1 TIP3 8689 -8.260 -42.893 3.430 1.00 0.00 WAT +ATOM 32377 H2 TIP3 8689 -9.733 -43.014 3.734 1.00 0.00 WAT +ATOM 32378 OH2 TIP3 8690 -6.908 -42.249 1.883 1.00 0.00 WAT +ATOM 32379 H1 TIP3 8690 -6.351 -42.439 1.123 1.00 0.00 WAT +ATOM 32380 H2 TIP3 8690 -6.715 -41.300 2.028 1.00 0.00 WAT +ATOM 32381 OH2 TIP3 8691 -21.786 -42.843 0.930 1.00 0.00 WAT +ATOM 32382 H1 TIP3 8691 -22.709 -42.956 0.673 1.00 0.00 WAT +ATOM 32383 H2 TIP3 8691 -21.527 -43.725 1.197 1.00 0.00 WAT +ATOM 32384 OH2 TIP3 8692 -23.213 -42.910 -2.833 1.00 0.00 WAT +ATOM 32385 H1 TIP3 8692 -22.738 -42.434 -3.542 1.00 0.00 WAT +ATOM 32386 H2 TIP3 8692 -23.556 -42.164 -2.307 1.00 0.00 WAT +ATOM 32387 OH2 TIP3 8693 -17.352 -42.615 1.192 1.00 0.00 WAT +ATOM 32388 H1 TIP3 8693 -16.459 -42.312 0.965 1.00 0.00 WAT +ATOM 32389 H2 TIP3 8693 -17.258 -42.834 2.123 1.00 0.00 WAT +ATOM 32390 OH2 TIP3 8694 -11.762 -42.652 2.554 1.00 0.00 WAT +ATOM 32391 H1 TIP3 8694 -11.398 -42.581 1.663 1.00 0.00 WAT +ATOM 32392 H2 TIP3 8694 -11.850 -43.604 2.691 1.00 0.00 WAT +ATOM 32393 OH2 TIP3 8695 -10.643 -42.726 -1.457 1.00 0.00 WAT +ATOM 32394 H1 TIP3 8695 -11.376 -42.111 -1.665 1.00 0.00 WAT +ATOM 32395 H2 TIP3 8695 -11.056 -43.592 -1.549 1.00 0.00 WAT +ATOM 32396 OH2 TIP3 8696 -22.763 -26.887 -1.700 1.00 0.00 WAT +ATOM 32397 H1 TIP3 8696 -23.319 -26.911 -2.490 1.00 0.00 WAT +ATOM 32398 H2 TIP3 8696 -22.636 -25.939 -1.579 1.00 0.00 WAT +ATOM 32399 OH2 TIP3 8697 -21.286 -41.288 -4.377 1.00 0.00 WAT +ATOM 32400 H1 TIP3 8697 -20.575 -41.597 -4.967 1.00 0.00 WAT +ATOM 32401 H2 TIP3 8697 -20.770 -40.747 -3.750 1.00 0.00 WAT +ATOM 32402 OH2 TIP3 8698 -16.060 -40.626 -2.092 1.00 0.00 WAT +ATOM 32403 H1 TIP3 8698 -15.979 -41.423 -1.537 1.00 0.00 WAT +ATOM 32404 H2 TIP3 8698 -15.868 -39.902 -1.465 1.00 0.00 WAT +ATOM 32405 OH2 TIP3 8699 -22.352 -41.605 10.735 1.00 0.00 WAT +ATOM 32406 H1 TIP3 8699 -22.884 -42.396 10.871 1.00 0.00 WAT +ATOM 32407 H2 TIP3 8699 -21.574 -42.021 10.335 1.00 0.00 WAT +ATOM 32408 OH2 TIP3 8700 -19.259 -42.867 13.004 1.00 0.00 WAT +ATOM 32409 H1 TIP3 8700 -18.429 -43.203 12.604 1.00 0.00 WAT +ATOM 32410 H2 TIP3 8700 -19.650 -43.674 13.368 1.00 0.00 WAT +ATOM 32411 OH2 TIP3 8701 -8.143 -27.371 11.356 1.00 0.00 WAT +ATOM 32412 H1 TIP3 8701 -8.835 -27.516 10.686 1.00 0.00 WAT +ATOM 32413 H2 TIP3 8701 -8.236 -26.408 11.501 1.00 0.00 WAT +ATOM 32414 OH2 TIP3 8702 6.111 -33.682 1.422 1.00 0.00 WAT +ATOM 32415 H1 TIP3 8702 6.073 -32.718 1.520 1.00 0.00 WAT +ATOM 32416 H2 TIP3 8702 5.360 -33.848 0.829 1.00 0.00 WAT +ATOM 32417 OH2 TIP3 8703 4.975 -34.217 4.508 1.00 0.00 WAT +ATOM 32418 H1 TIP3 8703 4.945 -34.801 5.281 1.00 0.00 WAT +ATOM 32419 H2 TIP3 8703 4.719 -34.827 3.799 1.00 0.00 WAT +ATOM 32420 OH2 TIP3 8704 -2.558 -34.644 6.180 1.00 0.00 WAT +ATOM 32421 H1 TIP3 8704 -2.568 -35.380 6.818 1.00 0.00 WAT +ATOM 32422 H2 TIP3 8704 -1.842 -34.096 6.530 1.00 0.00 WAT +ATOM 32423 OH2 TIP3 8705 8.688 -31.454 2.860 1.00 0.00 WAT +ATOM 32424 H1 TIP3 8705 8.292 -32.157 3.393 1.00 0.00 WAT +ATOM 32425 H2 TIP3 8705 8.901 -30.788 3.525 1.00 0.00 WAT +ATOM 32426 OH2 TIP3 8706 -1.893 -29.991 4.686 1.00 0.00 WAT +ATOM 32427 H1 TIP3 8706 -2.147 -30.904 4.434 1.00 0.00 WAT +ATOM 32428 H2 TIP3 8706 -0.961 -30.131 4.905 1.00 0.00 WAT +ATOM 32429 OH2 TIP3 8707 -4.925 -36.634 0.086 1.00 0.00 WAT +ATOM 32430 H1 TIP3 8707 -5.277 -35.731 0.164 1.00 0.00 WAT +ATOM 32431 H2 TIP3 8707 -5.656 -37.078 -0.361 1.00 0.00 WAT +ATOM 32432 OH2 TIP3 8708 -4.095 -34.145 1.947 1.00 0.00 WAT +ATOM 32433 H1 TIP3 8708 -3.941 -34.982 2.424 1.00 0.00 WAT +ATOM 32434 H2 TIP3 8708 -3.276 -34.047 1.442 1.00 0.00 WAT +ATOM 32435 OH2 TIP3 8709 5.705 -26.160 3.369 1.00 0.00 WAT +ATOM 32436 H1 TIP3 8709 6.313 -26.900 3.182 1.00 0.00 WAT +ATOM 32437 H2 TIP3 8709 5.416 -26.347 4.273 1.00 0.00 WAT +ATOM 32438 OH2 TIP3 8710 3.451 -31.710 5.077 1.00 0.00 WAT +ATOM 32439 H1 TIP3 8710 3.762 -32.428 4.497 1.00 0.00 WAT +ATOM 32440 H2 TIP3 8710 4.264 -31.578 5.601 1.00 0.00 WAT +ATOM 32441 OH2 TIP3 8711 12.009 -40.184 5.661 1.00 0.00 WAT +ATOM 32442 H1 TIP3 8711 12.348 -39.710 6.438 1.00 0.00 WAT +ATOM 32443 H2 TIP3 8711 12.644 -39.883 4.985 1.00 0.00 WAT +ATOM 32444 OH2 TIP3 8712 6.734 -37.405 5.568 1.00 0.00 WAT +ATOM 32445 H1 TIP3 8712 6.897 -38.361 5.541 1.00 0.00 WAT +ATOM 32446 H2 TIP3 8712 6.600 -37.206 4.627 1.00 0.00 WAT +ATOM 32447 OH2 TIP3 8713 -0.124 -39.430 2.725 1.00 0.00 WAT +ATOM 32448 H1 TIP3 8713 0.306 -38.653 2.324 1.00 0.00 WAT +ATOM 32449 H2 TIP3 8713 -0.380 -39.910 1.920 1.00 0.00 WAT +ATOM 32450 OH2 TIP3 8714 7.640 -39.241 1.112 1.00 0.00 WAT +ATOM 32451 H1 TIP3 8714 8.344 -39.602 1.679 1.00 0.00 WAT +ATOM 32452 H2 TIP3 8714 8.150 -38.813 0.409 1.00 0.00 WAT +ATOM 32453 OH2 TIP3 8715 -3.597 -36.659 3.184 1.00 0.00 WAT +ATOM 32454 H1 TIP3 8715 -2.943 -37.125 3.726 1.00 0.00 WAT +ATOM 32455 H2 TIP3 8715 -3.501 -37.121 2.331 1.00 0.00 WAT +ATOM 32456 OH2 TIP3 8716 1.768 -35.252 2.648 1.00 0.00 WAT +ATOM 32457 H1 TIP3 8716 2.499 -35.797 2.995 1.00 0.00 WAT +ATOM 32458 H2 TIP3 8716 1.293 -35.904 2.096 1.00 0.00 WAT +ATOM 32459 OH2 TIP3 8717 12.939 -38.490 8.283 1.00 0.00 WAT +ATOM 32460 H1 TIP3 8717 12.185 -37.968 7.964 1.00 0.00 WAT +ATOM 32461 H2 TIP3 8717 12.574 -38.890 9.080 1.00 0.00 WAT +ATOM 32462 OH2 TIP3 8718 -1.502 -40.552 6.832 1.00 0.00 WAT +ATOM 32463 H1 TIP3 8718 -1.791 -39.990 6.090 1.00 0.00 WAT +ATOM 32464 H2 TIP3 8718 -2.176 -40.317 7.501 1.00 0.00 WAT +ATOM 32465 OH2 TIP3 8719 6.025 -30.809 0.241 1.00 0.00 WAT +ATOM 32466 H1 TIP3 8719 5.706 -31.080 -0.624 1.00 0.00 WAT +ATOM 32467 H2 TIP3 8719 5.556 -29.967 0.389 1.00 0.00 WAT +ATOM 32468 OH2 TIP3 8720 1.463 -32.693 6.956 1.00 0.00 WAT +ATOM 32469 H1 TIP3 8720 0.723 -32.101 7.209 1.00 0.00 WAT +ATOM 32470 H2 TIP3 8720 2.074 -32.078 6.511 1.00 0.00 WAT +ATOM 32471 OH2 TIP3 8721 9.520 -40.229 3.101 1.00 0.00 WAT +ATOM 32472 H1 TIP3 8721 8.925 -40.515 3.804 1.00 0.00 WAT +ATOM 32473 H2 TIP3 8721 10.010 -39.516 3.550 1.00 0.00 WAT +ATOM 32474 OH2 TIP3 8722 -1.768 -38.632 4.710 1.00 0.00 WAT +ATOM 32475 H1 TIP3 8722 -1.153 -38.001 5.141 1.00 0.00 WAT +ATOM 32476 H2 TIP3 8722 -1.189 -38.939 3.970 1.00 0.00 WAT +ATOM 32477 OH2 TIP3 8723 -0.559 -30.816 7.684 1.00 0.00 WAT +ATOM 32478 H1 TIP3 8723 -0.590 -29.898 7.356 1.00 0.00 WAT +ATOM 32479 H2 TIP3 8723 -1.432 -30.860 8.122 1.00 0.00 WAT +ATOM 32480 OH2 TIP3 8724 -4.239 -31.102 -1.457 1.00 0.00 WAT +ATOM 32481 H1 TIP3 8724 -4.451 -30.661 -2.305 1.00 0.00 WAT +ATOM 32482 H2 TIP3 8724 -4.099 -30.355 -0.845 1.00 0.00 WAT +ATOM 32483 OH2 TIP3 8725 9.283 -29.274 5.093 1.00 0.00 WAT +ATOM 32484 H1 TIP3 8725 8.323 -29.473 5.146 1.00 0.00 WAT +ATOM 32485 H2 TIP3 8725 9.235 -28.326 5.209 1.00 0.00 WAT +ATOM 32486 OH2 TIP3 8726 9.615 -41.117 7.036 1.00 0.00 WAT +ATOM 32487 H1 TIP3 8726 8.815 -40.761 6.616 1.00 0.00 WAT +ATOM 32488 H2 TIP3 8726 10.288 -40.947 6.349 1.00 0.00 WAT +ATOM 32489 OH2 TIP3 8727 2.717 43.578 3.986 1.00 0.00 WAT +ATOM 32490 H1 TIP3 8727 2.491 42.752 4.429 1.00 0.00 WAT +ATOM 32491 H2 TIP3 8727 2.011 44.169 4.327 1.00 0.00 WAT +ATOM 32492 OH2 TIP3 8728 7.651 -27.773 2.103 1.00 0.00 WAT +ATOM 32493 H1 TIP3 8728 7.957 -28.554 1.601 1.00 0.00 WAT +ATOM 32494 H2 TIP3 8728 8.073 -27.054 1.605 1.00 0.00 WAT +ATOM 32495 OH2 TIP3 8729 8.962 -29.875 0.538 1.00 0.00 WAT +ATOM 32496 H1 TIP3 8729 8.480 -30.336 -0.165 1.00 0.00 WAT +ATOM 32497 H2 TIP3 8729 8.893 -30.524 1.265 1.00 0.00 WAT +ATOM 32498 OH2 TIP3 8730 10.506 -31.018 8.998 1.00 0.00 WAT +ATOM 32499 H1 TIP3 8730 10.395 -31.683 8.293 1.00 0.00 WAT +ATOM 32500 H2 TIP3 8730 10.667 -30.202 8.499 1.00 0.00 WAT +ATOM 32501 OH2 TIP3 8731 4.766 -34.191 -1.226 1.00 0.00 WAT +ATOM 32502 H1 TIP3 8731 4.122 -33.572 -1.617 1.00 0.00 WAT +ATOM 32503 H2 TIP3 8731 5.491 -34.169 -1.872 1.00 0.00 WAT +ATOM 32504 OH2 TIP3 8732 5.033 -35.950 -4.260 1.00 0.00 WAT +ATOM 32505 H1 TIP3 8732 5.716 -35.640 -3.638 1.00 0.00 WAT +ATOM 32506 H2 TIP3 8732 5.566 -36.510 -4.843 1.00 0.00 WAT +ATOM 32507 OH2 TIP3 8733 12.250 -34.884 6.944 1.00 0.00 WAT +ATOM 32508 H1 TIP3 8733 11.533 -34.228 7.035 1.00 0.00 WAT +ATOM 32509 H2 TIP3 8733 12.725 -34.542 6.163 1.00 0.00 WAT +ATOM 32510 OH2 TIP3 8734 8.289 -34.124 -0.225 1.00 0.00 WAT +ATOM 32511 H1 TIP3 8734 7.578 -33.932 0.430 1.00 0.00 WAT +ATOM 32512 H2 TIP3 8734 8.854 -34.722 0.295 1.00 0.00 WAT +ATOM 32513 OH2 TIP3 8735 8.116 -35.618 8.615 1.00 0.00 WAT +ATOM 32514 H1 TIP3 8735 8.161 -34.796 9.133 1.00 0.00 WAT +ATOM 32515 H2 TIP3 8735 7.454 -35.339 7.956 1.00 0.00 WAT +ATOM 32516 OH2 TIP3 8736 -0.133 -33.370 1.556 1.00 0.00 WAT +ATOM 32517 H1 TIP3 8736 -0.454 -33.787 0.732 1.00 0.00 WAT +ATOM 32518 H2 TIP3 8736 0.503 -34.030 1.883 1.00 0.00 WAT +ATOM 32519 OH2 TIP3 8737 1.245 -29.960 4.282 1.00 0.00 WAT +ATOM 32520 H1 TIP3 8737 1.114 -30.374 3.419 1.00 0.00 WAT +ATOM 32521 H2 TIP3 8737 2.029 -30.439 4.615 1.00 0.00 WAT +ATOM 32522 OH2 TIP3 8738 0.460 -34.597 5.075 1.00 0.00 WAT +ATOM 32523 H1 TIP3 8738 0.996 -34.570 4.258 1.00 0.00 WAT +ATOM 32524 H2 TIP3 8738 0.863 -33.895 5.619 1.00 0.00 WAT +ATOM 32525 OH2 TIP3 8739 6.567 -29.085 5.642 1.00 0.00 WAT +ATOM 32526 H1 TIP3 8739 6.390 -28.380 6.288 1.00 0.00 WAT +ATOM 32527 H2 TIP3 8739 6.200 -29.876 6.076 1.00 0.00 WAT +ATOM 32528 OH2 TIP3 8740 1.282 -30.269 9.896 1.00 0.00 WAT +ATOM 32529 H1 TIP3 8740 0.782 -29.572 10.360 1.00 0.00 WAT +ATOM 32530 H2 TIP3 8740 0.652 -30.508 9.189 1.00 0.00 WAT +ATOM 32531 OH2 TIP3 8741 7.229 -34.705 -2.769 1.00 0.00 WAT +ATOM 32532 H1 TIP3 8741 7.703 -34.439 -1.954 1.00 0.00 WAT +ATOM 32533 H2 TIP3 8741 7.725 -34.188 -3.451 1.00 0.00 WAT +ATOM 32534 OH2 TIP3 8742 -1.759 -33.884 9.029 1.00 0.00 WAT +ATOM 32535 H1 TIP3 8742 -1.714 -33.263 9.781 1.00 0.00 WAT +ATOM 32536 H2 TIP3 8742 -2.720 -33.960 8.905 1.00 0.00 WAT +ATOM 32537 OH2 TIP3 8743 4.761 -28.134 0.830 1.00 0.00 WAT +ATOM 32538 H1 TIP3 8743 5.193 -27.807 1.628 1.00 0.00 WAT +ATOM 32539 H2 TIP3 8743 4.164 -27.420 0.593 1.00 0.00 WAT +ATOM 32540 OH2 TIP3 8744 -0.591 -28.091 10.685 1.00 0.00 WAT +ATOM 32541 H1 TIP3 8744 -0.710 -28.012 9.723 1.00 0.00 WAT +ATOM 32542 H2 TIP3 8744 -1.484 -28.323 10.998 1.00 0.00 WAT +ATOM 32543 OH2 TIP3 8745 10.483 -43.307 -3.525 1.00 0.00 WAT +ATOM 32544 H1 TIP3 8745 9.905 -43.202 -2.748 1.00 0.00 WAT +ATOM 32545 H2 TIP3 8745 11.187 -42.679 -3.306 1.00 0.00 WAT +ATOM 32546 OH2 TIP3 8746 -1.232 -34.589 -0.915 1.00 0.00 WAT +ATOM 32547 H1 TIP3 8746 -1.433 -33.825 -1.488 1.00 0.00 WAT +ATOM 32548 H2 TIP3 8746 -1.879 -35.238 -1.221 1.00 0.00 WAT +ATOM 32549 OH2 TIP3 8747 12.034 -28.774 -4.660 1.00 0.00 WAT +ATOM 32550 H1 TIP3 8747 12.215 -27.824 -4.528 1.00 0.00 WAT +ATOM 32551 H2 TIP3 8747 12.910 -29.173 -4.493 1.00 0.00 WAT +ATOM 32552 OH2 TIP3 8748 -5.138 -31.957 7.819 1.00 0.00 WAT +ATOM 32553 H1 TIP3 8748 -5.589 -31.928 6.950 1.00 0.00 WAT +ATOM 32554 H2 TIP3 8748 -5.032 -32.915 7.961 1.00 0.00 WAT +ATOM 32555 OH2 TIP3 8749 -5.103 -29.053 4.741 1.00 0.00 WAT +ATOM 32556 H1 TIP3 8749 -4.166 -29.279 4.821 1.00 0.00 WAT +ATOM 32557 H2 TIP3 8749 -5.201 -28.372 5.424 1.00 0.00 WAT +ATOM 32558 OH2 TIP3 8750 13.282 -28.402 10.501 1.00 0.00 WAT +ATOM 32559 H1 TIP3 8750 13.173 -29.352 10.327 1.00 0.00 WAT +ATOM 32560 H2 TIP3 8750 12.370 -28.153 10.768 1.00 0.00 WAT +ATOM 32561 OH2 TIP3 8751 3.942 -29.198 9.319 1.00 0.00 WAT +ATOM 32562 H1 TIP3 8751 4.024 -28.373 9.844 1.00 0.00 WAT +ATOM 32563 H2 TIP3 8751 3.036 -29.480 9.551 1.00 0.00 WAT +ATOM 32564 OH2 TIP3 8752 -1.947 -26.222 0.940 1.00 0.00 WAT +ATOM 32565 H1 TIP3 8752 -1.876 -26.689 1.798 1.00 0.00 WAT +ATOM 32566 H2 TIP3 8752 -2.785 -26.587 0.613 1.00 0.00 WAT +ATOM 32567 OH2 TIP3 8753 7.544 -25.946 -3.094 1.00 0.00 WAT +ATOM 32568 H1 TIP3 8753 8.111 -26.397 -3.748 1.00 0.00 WAT +ATOM 32569 H2 TIP3 8753 7.523 -26.624 -2.405 1.00 0.00 WAT +ATOM 32570 OH2 TIP3 8754 10.077 -37.086 10.914 1.00 0.00 WAT +ATOM 32571 H1 TIP3 8754 9.569 -36.683 10.196 1.00 0.00 WAT +ATOM 32572 H2 TIP3 8754 10.149 -38.010 10.614 1.00 0.00 WAT +ATOM 32573 OH2 TIP3 8755 -2.961 -30.412 9.052 1.00 0.00 WAT +ATOM 32574 H1 TIP3 8755 -2.699 -30.882 9.869 1.00 0.00 WAT +ATOM 32575 H2 TIP3 8755 -3.704 -30.946 8.715 1.00 0.00 WAT +ATOM 32576 OH2 TIP3 8756 0.294 -42.195 4.944 1.00 0.00 WAT +ATOM 32577 H1 TIP3 8756 -0.560 -42.456 4.567 1.00 0.00 WAT +ATOM 32578 H2 TIP3 8756 0.070 -41.330 5.319 1.00 0.00 WAT +ATOM 32579 OH2 TIP3 8757 4.795 -42.662 8.522 1.00 0.00 WAT +ATOM 32580 H1 TIP3 8757 4.997 -43.088 9.360 1.00 0.00 WAT +ATOM 32581 H2 TIP3 8757 3.834 -42.754 8.481 1.00 0.00 WAT +ATOM 32582 OH2 TIP3 8758 7.785 -38.635 8.975 1.00 0.00 WAT +ATOM 32583 H1 TIP3 8758 7.192 -38.743 9.741 1.00 0.00 WAT +ATOM 32584 H2 TIP3 8758 7.726 -37.683 8.783 1.00 0.00 WAT +ATOM 32585 OH2 TIP3 8759 8.789 -33.598 -4.747 1.00 0.00 WAT +ATOM 32586 H1 TIP3 8759 8.566 -33.776 -5.683 1.00 0.00 WAT +ATOM 32587 H2 TIP3 8759 9.731 -33.363 -4.828 1.00 0.00 WAT +ATOM 32588 OH2 TIP3 8760 4.334 -39.979 -4.058 1.00 0.00 WAT +ATOM 32589 H1 TIP3 8760 3.829 -40.059 -3.239 1.00 0.00 WAT +ATOM 32590 H2 TIP3 8760 3.843 -40.591 -4.650 1.00 0.00 WAT +ATOM 32591 OH2 TIP3 8761 0.071 -37.158 6.243 1.00 0.00 WAT +ATOM 32592 H1 TIP3 8761 -0.571 -37.029 6.961 1.00 0.00 WAT +ATOM 32593 H2 TIP3 8761 0.155 -36.252 5.871 1.00 0.00 WAT +ATOM 32594 OH2 TIP3 8762 0.087 -37.030 1.107 1.00 0.00 WAT +ATOM 32595 H1 TIP3 8762 -0.860 -37.196 0.960 1.00 0.00 WAT +ATOM 32596 H2 TIP3 8762 0.460 -37.295 0.246 1.00 0.00 WAT +ATOM 32597 OH2 TIP3 8763 5.443 -36.631 -0.049 1.00 0.00 WAT +ATOM 32598 H1 TIP3 8763 4.990 -35.877 -0.471 1.00 0.00 WAT +ATOM 32599 H2 TIP3 8763 5.986 -36.972 -0.772 1.00 0.00 WAT +ATOM 32600 OH2 TIP3 8764 4.848 -36.321 11.227 1.00 0.00 WAT +ATOM 32601 H1 TIP3 8764 4.327 -37.059 11.602 1.00 0.00 WAT +ATOM 32602 H2 TIP3 8764 5.714 -36.441 11.660 1.00 0.00 WAT +ATOM 32603 OH2 TIP3 8765 6.540 -37.028 2.539 1.00 0.00 WAT +ATOM 32604 H1 TIP3 8765 6.127 -36.516 1.811 1.00 0.00 WAT +ATOM 32605 H2 TIP3 8765 6.649 -37.877 2.064 1.00 0.00 WAT +ATOM 32606 OH2 TIP3 8766 -2.525 -36.981 8.049 1.00 0.00 WAT +ATOM 32607 H1 TIP3 8766 -2.271 -36.669 8.925 1.00 0.00 WAT +ATOM 32608 H2 TIP3 8766 -2.933 -37.843 8.259 1.00 0.00 WAT +ATOM 32609 OH2 TIP3 8767 0.808 -39.455 -5.373 1.00 0.00 WAT +ATOM 32610 H1 TIP3 8767 0.503 -39.793 -4.512 1.00 0.00 WAT +ATOM 32611 H2 TIP3 8767 -0.015 -39.304 -5.858 1.00 0.00 WAT +ATOM 32612 OH2 TIP3 8768 -5.774 -39.650 1.729 1.00 0.00 WAT +ATOM 32613 H1 TIP3 8768 -5.187 -39.538 2.501 1.00 0.00 WAT +ATOM 32614 H2 TIP3 8768 -5.163 -39.886 1.023 1.00 0.00 WAT +ATOM 32615 OH2 TIP3 8769 -4.164 -39.112 -2.584 1.00 0.00 WAT +ATOM 32616 H1 TIP3 8769 -3.603 -38.601 -3.201 1.00 0.00 WAT +ATOM 32617 H2 TIP3 8769 -4.863 -38.454 -2.400 1.00 0.00 WAT +ATOM 32618 OH2 TIP3 8770 5.635 -35.436 7.137 1.00 0.00 WAT +ATOM 32619 H1 TIP3 8770 6.039 -36.162 6.610 1.00 0.00 WAT +ATOM 32620 H2 TIP3 8770 5.264 -35.916 7.888 1.00 0.00 WAT +ATOM 32621 OH2 TIP3 8771 -2.661 -38.296 0.878 1.00 0.00 WAT +ATOM 32622 H1 TIP3 8771 -3.417 -37.979 0.352 1.00 0.00 WAT +ATOM 32623 H2 TIP3 8771 -2.336 -39.074 0.386 1.00 0.00 WAT +ATOM 32624 OH2 TIP3 8772 1.109 -37.918 -1.546 1.00 0.00 WAT +ATOM 32625 H1 TIP3 8772 2.059 -37.915 -1.349 1.00 0.00 WAT +ATOM 32626 H2 TIP3 8772 0.992 -37.192 -2.176 1.00 0.00 WAT +ATOM 32627 OH2 TIP3 8773 7.108 -40.377 5.088 1.00 0.00 WAT +ATOM 32628 H1 TIP3 8773 6.500 -40.362 5.855 1.00 0.00 WAT +ATOM 32629 H2 TIP3 8773 6.443 -40.595 4.398 1.00 0.00 WAT +ATOM 32630 OH2 TIP3 8774 -0.549 -36.728 -3.716 1.00 0.00 WAT +ATOM 32631 H1 TIP3 8774 -1.106 -36.959 -4.472 1.00 0.00 WAT +ATOM 32632 H2 TIP3 8774 0.291 -36.525 -4.160 1.00 0.00 WAT +ATOM 32633 OH2 TIP3 8775 10.185 -24.524 11.818 1.00 0.00 WAT +ATOM 32634 H1 TIP3 8775 10.405 -24.123 10.956 1.00 0.00 WAT +ATOM 32635 H2 TIP3 8775 10.920 -24.211 12.372 1.00 0.00 WAT +ATOM 32636 OH2 TIP3 8776 -1.895 -31.978 11.244 1.00 0.00 WAT +ATOM 32637 H1 TIP3 8776 -1.215 -31.864 11.941 1.00 0.00 WAT +ATOM 32638 H2 TIP3 8776 -2.698 -31.923 11.797 1.00 0.00 WAT +ATOM 32639 OH2 TIP3 8777 3.857 -36.964 3.996 1.00 0.00 WAT +ATOM 32640 H1 TIP3 8777 4.384 -37.467 3.358 1.00 0.00 WAT +ATOM 32641 H2 TIP3 8777 3.672 -37.636 4.676 1.00 0.00 WAT +ATOM 32642 OH2 TIP3 8778 -1.024 -40.629 0.193 1.00 0.00 WAT +ATOM 32643 H1 TIP3 8778 -1.443 -41.505 0.231 1.00 0.00 WAT +ATOM 32644 H2 TIP3 8778 -0.204 -40.779 -0.299 1.00 0.00 WAT +ATOM 32645 OH2 TIP3 8779 2.764 -38.528 6.279 1.00 0.00 WAT +ATOM 32646 H1 TIP3 8779 2.040 -37.888 6.185 1.00 0.00 WAT +ATOM 32647 H2 TIP3 8779 3.258 -38.189 7.053 1.00 0.00 WAT +ATOM 32648 OH2 TIP3 8780 2.967 -32.128 -1.873 1.00 0.00 WAT +ATOM 32649 H1 TIP3 8780 2.205 -32.619 -2.250 1.00 0.00 WAT +ATOM 32650 H2 TIP3 8780 2.743 -32.090 -0.916 1.00 0.00 WAT +ATOM 32651 OH2 TIP3 8781 10.148 -32.921 6.856 1.00 0.00 WAT +ATOM 32652 H1 TIP3 8781 10.648 -32.419 6.179 1.00 0.00 WAT +ATOM 32653 H2 TIP3 8781 9.301 -33.084 6.395 1.00 0.00 WAT +ATOM 32654 OH2 TIP3 8782 7.009 -39.250 -4.288 1.00 0.00 WAT +ATOM 32655 H1 TIP3 8782 6.040 -39.372 -4.173 1.00 0.00 WAT +ATOM 32656 H2 TIP3 8782 7.235 -38.658 -3.541 1.00 0.00 WAT +ATOM 32657 OH2 TIP3 8783 4.584 -32.078 9.428 1.00 0.00 WAT +ATOM 32658 H1 TIP3 8783 4.275 -32.392 10.289 1.00 0.00 WAT +ATOM 32659 H2 TIP3 8783 4.284 -31.155 9.425 1.00 0.00 WAT +ATOM 32660 OH2 TIP3 8784 7.719 -37.487 -2.088 1.00 0.00 WAT +ATOM 32661 H1 TIP3 8784 8.584 -37.612 -1.651 1.00 0.00 WAT +ATOM 32662 H2 TIP3 8784 7.795 -36.582 -2.439 1.00 0.00 WAT +ATOM 32663 OH2 TIP3 8785 -1.901 -32.699 3.943 1.00 0.00 WAT +ATOM 32664 H1 TIP3 8785 -1.380 -32.804 3.129 1.00 0.00 WAT +ATOM 32665 H2 TIP3 8785 -1.824 -33.576 4.349 1.00 0.00 WAT +ATOM 32666 OH2 TIP3 8786 5.327 -30.726 -2.972 1.00 0.00 WAT +ATOM 32667 H1 TIP3 8786 5.071 -29.892 -2.541 1.00 0.00 WAT +ATOM 32668 H2 TIP3 8786 4.603 -31.318 -2.698 1.00 0.00 WAT +ATOM 32669 OH2 TIP3 8787 -4.683 -34.436 9.200 1.00 0.00 WAT +ATOM 32670 H1 TIP3 8787 -4.512 -34.895 10.046 1.00 0.00 WAT +ATOM 32671 H2 TIP3 8787 -5.268 -35.050 8.728 1.00 0.00 WAT +ATOM 32672 OH2 TIP3 8788 2.300 -34.946 11.190 1.00 0.00 WAT +ATOM 32673 H1 TIP3 8788 1.945 -35.172 10.312 1.00 0.00 WAT +ATOM 32674 H2 TIP3 8788 3.236 -35.191 11.072 1.00 0.00 WAT +ATOM 32675 OH2 TIP3 8789 6.851 -29.506 8.909 1.00 0.00 WAT +ATOM 32676 H1 TIP3 8789 5.886 -29.402 8.849 1.00 0.00 WAT +ATOM 32677 H2 TIP3 8789 7.019 -29.220 9.823 1.00 0.00 WAT +ATOM 32678 OH2 TIP3 8790 12.378 -37.461 -2.332 1.00 0.00 WAT +ATOM 32679 H1 TIP3 8790 11.807 -37.644 -3.105 1.00 0.00 WAT +ATOM 32680 H2 TIP3 8790 12.490 -36.497 -2.462 1.00 0.00 WAT +ATOM 32681 OH2 TIP3 8791 12.816 -31.415 10.483 1.00 0.00 WAT +ATOM 32682 H1 TIP3 8791 11.881 -31.183 10.298 1.00 0.00 WAT +ATOM 32683 H2 TIP3 8791 13.150 -31.577 9.580 1.00 0.00 WAT +ATOM 32684 OH2 TIP3 8792 10.576 -28.827 -2.194 1.00 0.00 WAT +ATOM 32685 H1 TIP3 8792 10.375 -29.654 -1.731 1.00 0.00 WAT +ATOM 32686 H2 TIP3 8792 11.067 -29.131 -2.974 1.00 0.00 WAT +ATOM 32687 OH2 TIP3 8793 7.832 -33.500 5.151 1.00 0.00 WAT +ATOM 32688 H1 TIP3 8793 6.895 -33.643 4.915 1.00 0.00 WAT +ATOM 32689 H2 TIP3 8793 8.251 -34.227 4.648 1.00 0.00 WAT +ATOM 32690 OH2 TIP3 8794 0.454 -29.413 1.147 1.00 0.00 WAT +ATOM 32691 H1 TIP3 8794 0.859 -28.541 1.053 1.00 0.00 WAT +ATOM 32692 H2 TIP3 8794 -0.473 -29.232 0.938 1.00 0.00 WAT +ATOM 32693 OH2 TIP3 8795 -3.555 -34.634 -4.183 1.00 0.00 WAT +ATOM 32694 H1 TIP3 8795 -2.986 -33.936 -3.810 1.00 0.00 WAT +ATOM 32695 H2 TIP3 8795 -4.434 -34.335 -3.882 1.00 0.00 WAT +ATOM 32696 OH2 TIP3 8796 2.281 -31.710 0.831 1.00 0.00 WAT +ATOM 32697 H1 TIP3 8796 1.926 -30.814 0.951 1.00 0.00 WAT +ATOM 32698 H2 TIP3 8796 1.583 -32.244 1.238 1.00 0.00 WAT +ATOM 32699 OH2 TIP3 8797 2.484 -27.456 7.130 1.00 0.00 WAT +ATOM 32700 H1 TIP3 8797 3.011 -26.666 6.916 1.00 0.00 WAT +ATOM 32701 H2 TIP3 8797 3.072 -27.912 7.753 1.00 0.00 WAT +ATOM 32702 OH2 TIP3 8798 0.962 -26.320 0.397 1.00 0.00 WAT +ATOM 32703 H1 TIP3 8798 -0.008 -26.356 0.481 1.00 0.00 WAT +ATOM 32704 H2 TIP3 8798 1.187 -25.616 1.014 1.00 0.00 WAT +ATOM 32705 OH2 TIP3 8799 5.858 -31.720 6.735 1.00 0.00 WAT +ATOM 32706 H1 TIP3 8799 5.555 -31.979 7.624 1.00 0.00 WAT +ATOM 32707 H2 TIP3 8799 6.576 -32.354 6.577 1.00 0.00 WAT +ATOM 32708 OH2 TIP3 8800 8.049 -30.365 -4.336 1.00 0.00 WAT +ATOM 32709 H1 TIP3 8800 8.449 -30.864 -3.600 1.00 0.00 WAT +ATOM 32710 H2 TIP3 8800 7.112 -30.538 -4.142 1.00 0.00 WAT +ATOM 32711 OH2 TIP3 8801 8.833 -27.140 9.093 1.00 0.00 WAT +ATOM 32712 H1 TIP3 8801 7.985 -27.504 8.778 1.00 0.00 WAT +ATOM 32713 H2 TIP3 8801 8.913 -26.323 8.567 1.00 0.00 WAT +ATOM 32714 OH2 TIP3 8802 12.781 -25.998 -3.897 1.00 0.00 WAT +ATOM 32715 H1 TIP3 8802 13.494 -25.339 -3.982 1.00 0.00 WAT +ATOM 32716 H2 TIP3 8802 12.011 -25.405 -3.838 1.00 0.00 WAT +ATOM 32717 OH2 TIP3 8803 -3.344 -39.611 8.792 1.00 0.00 WAT +ATOM 32718 H1 TIP3 8803 -4.255 -39.414 8.479 1.00 0.00 WAT +ATOM 32719 H2 TIP3 8803 -3.508 -40.480 9.217 1.00 0.00 WAT +ATOM 32720 OH2 TIP3 8804 8.998 -31.772 -1.943 1.00 0.00 WAT +ATOM 32721 H1 TIP3 8804 8.713 -32.519 -1.386 1.00 0.00 WAT +ATOM 32722 H2 TIP3 8804 9.967 -31.841 -1.879 1.00 0.00 WAT +ATOM 32723 OH2 TIP3 8805 -3.567 -28.021 7.197 1.00 0.00 WAT +ATOM 32724 H1 TIP3 8805 -3.290 -28.930 7.377 1.00 0.00 WAT +ATOM 32725 H2 TIP3 8805 -3.380 -27.600 8.044 1.00 0.00 WAT +ATOM 32726 OH2 TIP3 8806 2.304 -29.363 -5.761 1.00 0.00 WAT +ATOM 32727 H1 TIP3 8806 2.557 -30.155 -6.267 1.00 0.00 WAT +ATOM 32728 H2 TIP3 8806 1.844 -29.759 -4.998 1.00 0.00 WAT +ATOM 32729 OH2 TIP3 8807 1.209 -29.854 -3.113 1.00 0.00 WAT +ATOM 32730 H1 TIP3 8807 1.595 -30.386 -2.405 1.00 0.00 WAT +ATOM 32731 H2 TIP3 8807 1.248 -28.948 -2.747 1.00 0.00 WAT +ATOM 32732 OH2 TIP3 8808 -2.030 -32.403 -2.637 1.00 0.00 WAT +ATOM 32733 H1 TIP3 8808 -2.798 -32.025 -2.164 1.00 0.00 WAT +ATOM 32734 H2 TIP3 8808 -1.645 -31.585 -3.001 1.00 0.00 WAT +ATOM 32735 OH2 TIP3 8809 5.574 -40.074 7.444 1.00 0.00 WAT +ATOM 32736 H1 TIP3 8809 6.207 -39.808 8.125 1.00 0.00 WAT +ATOM 32737 H2 TIP3 8809 5.215 -40.912 7.784 1.00 0.00 WAT +ATOM 32738 OH2 TIP3 8810 6.640 -40.707 -1.460 1.00 0.00 WAT +ATOM 32739 H1 TIP3 8810 6.296 -40.085 -2.112 1.00 0.00 WAT +ATOM 32740 H2 TIP3 8810 6.407 -40.259 -0.632 1.00 0.00 WAT +ATOM 32741 OH2 TIP3 8811 4.082 -28.034 -2.338 1.00 0.00 WAT +ATOM 32742 H1 TIP3 8811 3.152 -27.742 -2.329 1.00 0.00 WAT +ATOM 32743 H2 TIP3 8811 4.355 -27.808 -3.241 1.00 0.00 WAT +ATOM 32744 OH2 TIP3 8812 4.002 -37.612 8.725 1.00 0.00 WAT +ATOM 32745 H1 TIP3 8812 4.107 -37.087 9.537 1.00 0.00 WAT +ATOM 32746 H2 TIP3 8812 4.598 -38.354 8.880 1.00 0.00 WAT +ATOM 32747 OH2 TIP3 8813 1.336 -27.159 -2.410 1.00 0.00 WAT +ATOM 32748 H1 TIP3 8813 1.103 -26.441 -3.034 1.00 0.00 WAT +ATOM 32749 H2 TIP3 8813 1.086 -26.762 -1.557 1.00 0.00 WAT +ATOM 32750 OH2 TIP3 8814 0.210 -40.530 -2.815 1.00 0.00 WAT +ATOM 32751 H1 TIP3 8814 0.229 -39.677 -2.340 1.00 0.00 WAT +ATOM 32752 H2 TIP3 8814 1.068 -40.898 -2.549 1.00 0.00 WAT +ATOM 32753 OH2 TIP3 8815 10.396 -39.634 9.534 1.00 0.00 WAT +ATOM 32754 H1 TIP3 8815 9.431 -39.519 9.433 1.00 0.00 WAT +ATOM 32755 H2 TIP3 8815 10.609 -39.873 8.621 1.00 0.00 WAT +ATOM 32756 OH2 TIP3 8816 8.803 -35.731 3.639 1.00 0.00 WAT +ATOM 32757 H1 TIP3 8816 7.991 -36.159 3.297 1.00 0.00 WAT +ATOM 32758 H2 TIP3 8816 9.266 -36.477 4.077 1.00 0.00 WAT +ATOM 32759 OH2 TIP3 8817 -1.621 -29.718 -3.863 1.00 0.00 WAT +ATOM 32760 H1 TIP3 8817 -1.000 -29.030 -3.582 1.00 0.00 WAT +ATOM 32761 H2 TIP3 8817 -1.092 -30.162 -4.543 1.00 0.00 WAT +ATOM 32762 OH2 TIP3 8818 -3.480 -37.451 -4.800 1.00 0.00 WAT +ATOM 32763 H1 TIP3 8818 -3.330 -36.513 -4.568 1.00 0.00 WAT +ATOM 32764 H2 TIP3 8818 -4.359 -37.408 -5.199 1.00 0.00 WAT +ATOM 32765 OH2 TIP3 8819 -3.381 -42.438 4.167 1.00 0.00 WAT +ATOM 32766 H1 TIP3 8819 -2.970 -42.408 3.294 1.00 0.00 WAT +ATOM 32767 H2 TIP3 8819 -3.112 -43.328 4.442 1.00 0.00 WAT +ATOM 32768 OH2 TIP3 8820 -3.627 -28.755 0.221 1.00 0.00 WAT +ATOM 32769 H1 TIP3 8820 -4.455 -28.288 0.399 1.00 0.00 WAT +ATOM 32770 H2 TIP3 8820 -3.335 -28.311 -0.588 1.00 0.00 WAT +ATOM 32771 OH2 TIP3 8821 -4.208 -25.987 11.401 1.00 0.00 WAT +ATOM 32772 H1 TIP3 8821 -3.698 -26.245 12.193 1.00 0.00 WAT +ATOM 32773 H2 TIP3 8821 -4.650 -26.822 11.154 1.00 0.00 WAT +ATOM 32774 OH2 TIP3 8822 0.482 -26.922 13.235 1.00 0.00 WAT +ATOM 32775 H1 TIP3 8822 1.153 -27.603 13.398 1.00 0.00 WAT +ATOM 32776 H2 TIP3 8822 0.226 -27.137 12.324 1.00 0.00 WAT +ATOM 32777 OH2 TIP3 8823 4.500 -27.692 -5.145 1.00 0.00 WAT +ATOM 32778 H1 TIP3 8823 3.715 -28.244 -5.362 1.00 0.00 WAT +ATOM 32779 H2 TIP3 8823 5.187 -28.177 -5.630 1.00 0.00 WAT +ATOM 32780 OH2 TIP3 8824 6.937 -28.698 11.775 1.00 0.00 WAT +ATOM 32781 H1 TIP3 8824 6.521 -29.480 12.179 1.00 0.00 WAT +ATOM 32782 H2 TIP3 8824 7.593 -28.434 12.442 1.00 0.00 WAT +ATOM 32783 OH2 TIP3 8825 9.062 -27.645 -5.073 1.00 0.00 WAT +ATOM 32784 H1 TIP3 8825 9.185 -28.508 -4.643 1.00 0.00 WAT +ATOM 32785 H2 TIP3 8825 9.826 -27.612 -5.677 1.00 0.00 WAT +ATOM 32786 OH2 TIP3 8826 -4.319 -32.380 12.560 1.00 0.00 WAT +ATOM 32787 H1 TIP3 8826 -4.210 -33.255 12.156 1.00 0.00 WAT +ATOM 32788 H2 TIP3 8826 -5.067 -32.033 12.037 1.00 0.00 WAT +ATOM 32789 OH2 TIP3 8827 -0.077 -31.937 -5.437 1.00 0.00 WAT +ATOM 32790 H1 TIP3 8827 0.089 -32.513 -4.673 1.00 0.00 WAT +ATOM 32791 H2 TIP3 8827 0.786 -31.973 -5.891 1.00 0.00 WAT +ATOM 32792 OH2 TIP3 8828 2.329 -32.164 11.889 1.00 0.00 WAT +ATOM 32793 H1 TIP3 8828 2.021 -31.813 11.036 1.00 0.00 WAT +ATOM 32794 H2 TIP3 8828 2.386 -33.127 11.723 1.00 0.00 WAT +ATOM 32795 OH2 TIP3 8829 5.182 -30.604 -5.829 1.00 0.00 WAT +ATOM 32796 H1 TIP3 8829 5.088 -30.645 -4.861 1.00 0.00 WAT +ATOM 32797 H2 TIP3 8829 5.116 -31.558 -6.046 1.00 0.00 WAT +ATOM 32798 OH2 TIP3 8830 7.700 -32.538 9.282 1.00 0.00 WAT +ATOM 32799 H1 TIP3 8830 8.473 -31.982 9.102 1.00 0.00 WAT +ATOM 32800 H2 TIP3 8830 6.990 -31.875 9.270 1.00 0.00 WAT +ATOM 32801 OH2 TIP3 8831 -3.452 -35.259 11.715 1.00 0.00 WAT +ATOM 32802 H1 TIP3 8831 -2.683 -35.852 11.737 1.00 0.00 WAT +ATOM 32803 H2 TIP3 8831 -3.491 -34.979 12.643 1.00 0.00 WAT +ATOM 32804 OH2 TIP3 8832 1.026 -33.862 -3.081 1.00 0.00 WAT +ATOM 32805 H1 TIP3 8832 0.377 -34.343 -2.547 1.00 0.00 WAT +ATOM 32806 H2 TIP3 8832 1.295 -34.542 -3.730 1.00 0.00 WAT +ATOM 32807 OH2 TIP3 8833 0.209 -36.080 9.183 1.00 0.00 WAT +ATOM 32808 H1 TIP3 8833 -0.339 -35.285 9.330 1.00 0.00 WAT +ATOM 32809 H2 TIP3 8833 0.842 -35.754 8.518 1.00 0.00 WAT +ATOM 32810 OH2 TIP3 8834 1.948 -35.851 -4.843 1.00 0.00 WAT +ATOM 32811 H1 TIP3 8834 1.905 -35.733 -5.811 1.00 0.00 WAT +ATOM 32812 H2 TIP3 8834 2.913 -35.866 -4.696 1.00 0.00 WAT +ATOM 32813 OH2 TIP3 8835 5.525 -33.379 12.718 1.00 0.00 WAT +ATOM 32814 H1 TIP3 8835 6.423 -33.559 12.404 1.00 0.00 WAT +ATOM 32815 H2 TIP3 8835 5.276 -34.230 13.103 1.00 0.00 WAT +ATOM 32816 OH2 TIP3 8836 11.470 -33.314 -5.521 1.00 0.00 WAT +ATOM 32817 H1 TIP3 8836 11.347 -33.731 -6.386 1.00 0.00 WAT +ATOM 32818 H2 TIP3 8836 11.360 -32.367 -5.757 1.00 0.00 WAT +ATOM 32819 OH2 TIP3 8837 0.799 -38.793 10.256 1.00 0.00 WAT +ATOM 32820 H1 TIP3 8837 0.888 -39.428 9.528 1.00 0.00 WAT +ATOM 32821 H2 TIP3 8837 0.608 -37.969 9.774 1.00 0.00 WAT +ATOM 32822 OH2 TIP3 8838 1.186 -40.388 7.673 1.00 0.00 WAT +ATOM 32823 H1 TIP3 8838 1.724 -39.809 7.087 1.00 0.00 WAT +ATOM 32824 H2 TIP3 8838 0.282 -40.251 7.322 1.00 0.00 WAT +ATOM 32825 OH2 TIP3 8839 2.710 -34.870 8.157 1.00 0.00 WAT +ATOM 32826 H1 TIP3 8839 3.529 -34.941 7.648 1.00 0.00 WAT +ATOM 32827 H2 TIP3 8839 2.374 -34.004 7.850 1.00 0.00 WAT +ATOM 32828 OH2 TIP3 8840 7.262 -36.934 12.933 1.00 0.00 WAT +ATOM 32829 H1 TIP3 8840 7.488 -37.867 13.068 1.00 0.00 WAT +ATOM 32830 H2 TIP3 8840 8.143 -36.529 12.882 1.00 0.00 WAT +ATOM 32831 OH2 TIP3 8841 8.244 -34.152 11.416 1.00 0.00 WAT +ATOM 32832 H1 TIP3 8841 7.892 -33.536 10.739 1.00 0.00 WAT +ATOM 32833 H2 TIP3 8841 9.139 -34.297 11.049 1.00 0.00 WAT +ATOM 32834 OH2 TIP3 8842 -0.969 -36.976 12.137 1.00 0.00 WAT +ATOM 32835 H1 TIP3 8842 -1.487 -37.797 12.084 1.00 0.00 WAT +ATOM 32836 H2 TIP3 8842 -0.175 -37.213 11.634 1.00 0.00 WAT +ATOM 32837 OH2 TIP3 8843 1.667 -42.779 8.853 1.00 0.00 WAT +ATOM 32838 H1 TIP3 8843 1.804 -41.858 8.541 1.00 0.00 WAT +ATOM 32839 H2 TIP3 8843 0.721 -42.848 8.676 1.00 0.00 WAT +ATOM 32840 OH2 TIP3 8844 3.150 -38.457 11.860 1.00 0.00 WAT +ATOM 32841 H1 TIP3 8844 2.812 -38.700 12.739 1.00 0.00 WAT +ATOM 32842 H2 TIP3 8844 2.345 -38.621 11.327 1.00 0.00 WAT +ATOM 32843 OH2 TIP3 8845 5.738 -39.452 10.840 1.00 0.00 WAT +ATOM 32844 H1 TIP3 8845 4.848 -39.295 11.207 1.00 0.00 WAT +ATOM 32845 H2 TIP3 8845 6.104 -40.096 11.471 1.00 0.00 WAT +ATOM 32846 OH2 TIP3 8846 7.446 -41.368 12.522 1.00 0.00 WAT +ATOM 32847 H1 TIP3 8846 7.320 -42.240 12.914 1.00 0.00 WAT +ATOM 32848 H2 TIP3 8846 7.324 -40.771 13.279 1.00 0.00 WAT +ATOM 32849 OH2 TIP3 8847 -2.164 -39.610 11.971 1.00 0.00 WAT +ATOM 32850 H1 TIP3 8847 -2.448 -40.190 11.243 1.00 0.00 WAT +ATOM 32851 H2 TIP3 8847 -2.659 -39.969 12.721 1.00 0.00 WAT +ATOM 32852 OH2 TIP3 8848 2.760 -41.476 12.995 1.00 0.00 WAT +ATOM 32853 H1 TIP3 8848 2.538 -42.283 12.496 1.00 0.00 WAT +ATOM 32854 H2 TIP3 8848 1.923 -40.978 13.000 1.00 0.00 WAT +ATOM 32855 OH2 TIP3 8849 1.670 -24.425 -3.657 1.00 0.00 WAT +ATOM 32856 H1 TIP3 8849 2.629 -24.453 -3.693 1.00 0.00 WAT +ATOM 32857 H2 TIP3 8849 1.463 -24.203 -4.581 1.00 0.00 WAT +ATOM 32858 OH2 TIP3 8850 -4.466 -30.227 -4.120 1.00 0.00 WAT +ATOM 32859 H1 TIP3 8850 -3.562 -29.857 -4.144 1.00 0.00 WAT +ATOM 32860 H2 TIP3 8850 -4.434 -30.871 -4.849 1.00 0.00 WAT +ATOM 32861 OH2 TIP3 8851 -5.602 -25.132 0.248 1.00 0.00 WAT +ATOM 32862 H1 TIP3 8851 -6.525 -25.309 -0.003 1.00 0.00 WAT +ATOM 32863 H2 TIP3 8851 -5.496 -25.725 1.011 1.00 0.00 WAT +ATOM 32864 OH2 TIP3 8852 -4.967 -26.929 2.486 1.00 0.00 WAT +ATOM 32865 H1 TIP3 8852 -5.276 -27.802 2.768 1.00 0.00 WAT +ATOM 32866 H2 TIP3 8852 -4.740 -26.550 3.347 1.00 0.00 WAT +ATOM 32867 OH2 TIP3 8853 12.444 -26.168 8.375 1.00 0.00 WAT +ATOM 32868 H1 TIP3 8853 11.943 -26.883 7.954 1.00 0.00 WAT +ATOM 32869 H2 TIP3 8853 13.033 -26.669 8.954 1.00 0.00 WAT +ATOM 32870 OH2 TIP3 8854 10.456 -30.861 12.695 1.00 0.00 WAT +ATOM 32871 H1 TIP3 8854 9.565 -30.768 13.072 1.00 0.00 WAT +ATOM 32872 H2 TIP3 8854 10.899 -30.045 12.984 1.00 0.00 WAT +ATOM 32873 OH2 TIP3 8855 11.842 -31.944 -1.572 1.00 0.00 WAT +ATOM 32874 H1 TIP3 8855 12.751 -31.620 -1.429 1.00 0.00 WAT +ATOM 32875 H2 TIP3 8855 11.771 -32.588 -0.843 1.00 0.00 WAT +ATOM 32876 OH2 TIP3 8856 12.305 -33.966 0.404 1.00 0.00 WAT +ATOM 32877 H1 TIP3 8856 11.641 -34.551 0.822 1.00 0.00 WAT +ATOM 32878 H2 TIP3 8856 12.995 -33.881 1.089 1.00 0.00 WAT +ATOM 32879 OH2 TIP3 8857 11.989 -31.472 5.369 1.00 0.00 WAT +ATOM 32880 H1 TIP3 8857 12.587 -32.002 4.817 1.00 0.00 WAT +ATOM 32881 H2 TIP3 8857 12.209 -30.566 5.100 1.00 0.00 WAT +ATOM 32882 OH2 TIP3 8858 10.712 -28.453 7.470 1.00 0.00 WAT +ATOM 32883 H1 TIP3 8858 10.035 -28.097 8.083 1.00 0.00 WAT +ATOM 32884 H2 TIP3 8858 10.188 -29.013 6.871 1.00 0.00 WAT +ATOM 32885 OH2 TIP3 8859 12.569 -34.540 -3.022 1.00 0.00 WAT +ATOM 32886 H1 TIP3 8859 12.058 -34.263 -3.806 1.00 0.00 WAT +ATOM 32887 H2 TIP3 8859 12.434 -33.778 -2.437 1.00 0.00 WAT +ATOM 32888 OH2 TIP3 8860 10.868 -36.999 -4.768 1.00 0.00 WAT +ATOM 32889 H1 TIP3 8860 11.099 -36.380 -5.475 1.00 0.00 WAT +ATOM 32890 H2 TIP3 8860 10.591 -37.790 -5.265 1.00 0.00 WAT +ATOM 32891 OH2 TIP3 8861 10.288 -35.848 1.233 1.00 0.00 WAT +ATOM 32892 H1 TIP3 8861 10.163 -36.786 1.007 1.00 0.00 WAT +ATOM 32893 H2 TIP3 8861 9.850 -35.775 2.104 1.00 0.00 WAT +ATOM 32894 OH2 TIP3 8862 -4.913 -33.678 4.911 1.00 0.00 WAT +ATOM 32895 H1 TIP3 8862 -4.674 -33.590 3.972 1.00 0.00 WAT +ATOM 32896 H2 TIP3 8862 -4.034 -33.860 5.303 1.00 0.00 WAT +ATOM 32897 OH2 TIP3 8863 10.857 -33.920 10.350 1.00 0.00 WAT +ATOM 32898 H1 TIP3 8863 11.586 -34.546 10.517 1.00 0.00 WAT +ATOM 32899 H2 TIP3 8863 11.329 -33.092 10.186 1.00 0.00 WAT +ATOM 32900 OH2 TIP3 8864 12.400 -35.834 11.578 1.00 0.00 WAT +ATOM 32901 H1 TIP3 8864 11.613 -36.369 11.340 1.00 0.00 WAT +ATOM 32902 H2 TIP3 8864 13.102 -36.510 11.557 1.00 0.00 WAT +ATOM 32903 OH2 TIP3 8865 10.263 -39.700 -5.605 1.00 0.00 WAT +ATOM 32904 H1 TIP3 8865 10.840 -40.122 -4.945 1.00 0.00 WAT +ATOM 32905 H2 TIP3 8865 9.433 -40.188 -5.514 1.00 0.00 WAT +ATOM 32906 OH2 TIP3 8866 10.107 -38.258 -0.579 1.00 0.00 WAT +ATOM 32907 H1 TIP3 8866 10.247 -39.233 -0.545 1.00 0.00 WAT +ATOM 32908 H2 TIP3 8866 10.921 -37.982 -1.034 1.00 0.00 WAT +ATOM 32909 OH2 TIP3 8867 10.333 -37.765 4.788 1.00 0.00 WAT +ATOM 32910 H1 TIP3 8867 11.308 -37.673 4.765 1.00 0.00 WAT +ATOM 32911 H2 TIP3 8867 10.190 -37.750 5.749 1.00 0.00 WAT +ATOM 32912 OH2 TIP3 8868 10.485 -37.065 7.656 1.00 0.00 WAT +ATOM 32913 H1 TIP3 8868 9.642 -36.641 7.907 1.00 0.00 WAT +ATOM 32914 H2 TIP3 8868 11.036 -36.292 7.431 1.00 0.00 WAT +ATOM 32915 OH2 TIP3 8869 -5.047 -38.369 11.477 1.00 0.00 WAT +ATOM 32916 H1 TIP3 8869 -4.137 -38.580 11.228 1.00 0.00 WAT +ATOM 32917 H2 TIP3 8869 -5.485 -39.230 11.401 1.00 0.00 WAT +ATOM 32918 OH2 TIP3 8870 12.626 -42.784 13.417 1.00 0.00 WAT +ATOM 32919 H1 TIP3 8870 13.182 -43.541 13.204 1.00 0.00 WAT +ATOM 32920 H2 TIP3 8870 12.672 -42.178 12.642 1.00 0.00 WAT +ATOM 32921 OH2 TIP3 8871 10.379 -40.977 -0.521 1.00 0.00 WAT +ATOM 32922 H1 TIP3 8871 10.602 -41.505 0.256 1.00 0.00 WAT +ATOM 32923 H2 TIP3 8871 9.778 -41.578 -0.997 1.00 0.00 WAT +ATOM 32924 OH2 TIP3 8872 -4.291 -39.891 4.145 1.00 0.00 WAT +ATOM 32925 H1 TIP3 8872 -3.990 -40.822 4.237 1.00 0.00 WAT +ATOM 32926 H2 TIP3 8872 -3.495 -39.404 4.427 1.00 0.00 WAT +ATOM 32927 OH2 TIP3 8873 -5.694 -37.278 5.154 1.00 0.00 WAT +ATOM 32928 H1 TIP3 8873 -5.097 -37.331 4.390 1.00 0.00 WAT +ATOM 32929 H2 TIP3 8873 -5.325 -36.514 5.616 1.00 0.00 WAT +ATOM 32930 OH2 TIP3 8874 12.439 -41.114 11.266 1.00 0.00 WAT +ATOM 32931 H1 TIP3 8874 11.587 -40.644 11.340 1.00 0.00 WAT +ATOM 32932 H2 TIP3 8874 12.345 -41.468 10.364 1.00 0.00 WAT +ATOM 32933 OH2 TIP3 8875 12.511 -40.590 -3.892 1.00 0.00 WAT +ATOM 32934 H1 TIP3 8875 12.701 -41.429 -4.363 1.00 0.00 WAT +ATOM 32935 H2 TIP3 8875 13.366 -40.138 -3.903 1.00 0.00 WAT +ATOM 32936 OH2 TIP3 8876 -5.145 -41.068 -0.848 1.00 0.00 WAT +ATOM 32937 H1 TIP3 8876 -6.097 -40.915 -0.983 1.00 0.00 WAT +ATOM 32938 H2 TIP3 8876 -4.743 -40.345 -1.375 1.00 0.00 WAT +ATOM 32939 OH2 TIP3 8877 9.291 -25.616 1.050 1.00 0.00 WAT +ATOM 32940 H1 TIP3 8877 9.931 -25.928 0.382 1.00 0.00 WAT +ATOM 32941 H2 TIP3 8877 9.854 -25.099 1.642 1.00 0.00 WAT +ATOM 32942 OH2 TIP3 8878 -5.418 -41.265 7.764 1.00 0.00 WAT +ATOM 32943 H1 TIP3 8878 -5.345 -42.214 7.988 1.00 0.00 WAT +ATOM 32944 H2 TIP3 8878 -5.573 -41.310 6.809 1.00 0.00 WAT +ATOM 32945 OH2 TIP3 8879 -3.165 -29.071 12.054 1.00 0.00 WAT +ATOM 32946 H1 TIP3 8879 -3.883 -28.962 11.412 1.00 0.00 WAT +ATOM 32947 H2 TIP3 8879 -3.614 -28.930 12.896 1.00 0.00 WAT +ATOM 32948 OH2 TIP3 8880 -0.311 -27.959 7.692 1.00 0.00 WAT +ATOM 32949 H1 TIP3 8880 -0.623 -27.087 7.396 1.00 0.00 WAT +ATOM 32950 H2 TIP3 8880 0.644 -27.860 7.507 1.00 0.00 WAT +ATOM 32951 OH2 TIP3 8881 4.073 -26.761 10.761 1.00 0.00 WAT +ATOM 32952 H1 TIP3 8881 4.369 -26.850 11.677 1.00 0.00 WAT +ATOM 32953 H2 TIP3 8881 4.813 -26.216 10.392 1.00 0.00 WAT +ATOM 32954 OH2 TIP3 8882 6.210 -25.375 9.954 1.00 0.00 WAT +ATOM 32955 H1 TIP3 8882 7.044 -25.668 9.582 1.00 0.00 WAT +ATOM 32956 H2 TIP3 8882 6.491 -24.638 10.513 1.00 0.00 WAT +ATOM 32957 OH2 TIP3 8883 11.058 -42.764 9.175 1.00 0.00 WAT +ATOM 32958 H1 TIP3 8883 10.556 -42.148 8.613 1.00 0.00 WAT +ATOM 32959 H2 TIP3 8883 11.300 -43.429 8.510 1.00 0.00 WAT +ATOM 32960 OH2 TIP3 8884 -2.892 -25.003 8.064 1.00 0.00 WAT +ATOM 32961 H1 TIP3 8884 -3.535 -24.453 7.575 1.00 0.00 WAT +ATOM 32962 H2 TIP3 8884 -3.272 -24.957 8.949 1.00 0.00 WAT +ATOM 32963 OH2 TIP3 8885 -0.285 -25.127 6.775 1.00 0.00 WAT +ATOM 32964 H1 TIP3 8885 -1.133 -25.007 7.249 1.00 0.00 WAT +ATOM 32965 H2 TIP3 8885 -0.409 -24.541 6.019 1.00 0.00 WAT +ATOM 32966 OH2 TIP3 8886 4.272 -25.132 6.266 1.00 0.00 WAT +ATOM 32967 H1 TIP3 8886 3.919 -24.616 5.520 1.00 0.00 WAT +ATOM 32968 H2 TIP3 8886 4.424 -24.427 6.921 1.00 0.00 WAT +ATOM 32969 OH2 TIP3 8887 6.667 -26.428 6.985 1.00 0.00 WAT +ATOM 32970 H1 TIP3 8887 5.763 -26.098 6.824 1.00 0.00 WAT +ATOM 32971 H2 TIP3 8887 7.124 -25.578 7.097 1.00 0.00 WAT +ATOM 32972 OH2 TIP3 8888 9.338 -25.006 7.032 1.00 0.00 WAT +ATOM 32973 H1 TIP3 8888 9.037 -24.077 7.144 1.00 0.00 WAT +ATOM 32974 H2 TIP3 8888 9.515 -24.989 6.084 1.00 0.00 WAT +ATOM 32975 OH2 TIP3 8889 -3.262 -26.185 5.007 1.00 0.00 WAT +ATOM 32976 H1 TIP3 8889 -3.362 -26.691 5.841 1.00 0.00 WAT +ATOM 32977 H2 TIP3 8889 -2.573 -26.701 4.549 1.00 0.00 WAT +ATOM 32978 OH2 TIP3 8890 -1.318 -27.496 3.422 1.00 0.00 WAT +ATOM 32979 H1 TIP3 8890 -1.508 -28.417 3.699 1.00 0.00 WAT +ATOM 32980 H2 TIP3 8890 -0.420 -27.357 3.778 1.00 0.00 WAT +ATOM 32981 OH2 TIP3 8891 1.404 -27.043 4.326 1.00 0.00 WAT +ATOM 32982 H1 TIP3 8891 1.576 -27.984 4.141 1.00 0.00 WAT +ATOM 32983 H2 TIP3 8891 1.517 -27.034 5.291 1.00 0.00 WAT +ATOM 32984 OH2 TIP3 8892 4.922 -41.149 3.669 1.00 0.00 WAT +ATOM 32985 H1 TIP3 8892 4.023 -41.495 3.691 1.00 0.00 WAT +ATOM 32986 H2 TIP3 8892 5.211 -41.310 2.762 1.00 0.00 WAT +ATOM 32987 OH2 TIP3 8893 10.019 -43.365 4.023 1.00 0.00 WAT +ATOM 32988 H1 TIP3 8893 10.635 -42.898 3.430 1.00 0.00 WAT +ATOM 32989 H2 TIP3 8893 9.177 -42.963 3.803 1.00 0.00 WAT +ATOM 32990 OH2 TIP3 8894 11.976 -42.260 1.905 1.00 0.00 WAT +ATOM 32991 H1 TIP3 8894 12.473 -42.450 1.102 1.00 0.00 WAT +ATOM 32992 H2 TIP3 8894 12.129 -41.302 2.013 1.00 0.00 WAT +ATOM 32993 OH2 TIP3 8895 -2.915 -42.852 0.915 1.00 0.00 WAT +ATOM 32994 H1 TIP3 8895 -3.843 -43.021 0.719 1.00 0.00 WAT +ATOM 32995 H2 TIP3 8895 -2.621 -43.685 1.294 1.00 0.00 WAT +ATOM 32996 OH2 TIP3 8896 -4.332 -42.900 -2.843 1.00 0.00 WAT +ATOM 32997 H1 TIP3 8896 -3.848 -42.404 -3.531 1.00 0.00 WAT +ATOM 32998 H2 TIP3 8896 -4.700 -42.171 -2.311 1.00 0.00 WAT +ATOM 32999 OH2 TIP3 8897 2.038 -42.942 1.220 1.00 0.00 WAT +ATOM 33000 H1 TIP3 8897 2.279 -42.049 0.846 1.00 0.00 WAT +ATOM 33001 H2 TIP3 8897 1.330 -42.668 1.820 1.00 0.00 WAT +ATOM 33002 OH2 TIP3 8898 6.640 -43.038 2.207 1.00 0.00 WAT +ATOM 33003 H1 TIP3 8898 7.299 -42.593 1.650 1.00 0.00 WAT +ATOM 33004 H2 TIP3 8898 7.188 -43.570 2.793 1.00 0.00 WAT +ATOM 33005 OH2 TIP3 8899 8.343 -42.816 -1.641 1.00 0.00 WAT +ATOM 33006 H1 TIP3 8899 7.657 -42.104 -1.666 1.00 0.00 WAT +ATOM 33007 H2 TIP3 8899 7.809 -43.596 -1.445 1.00 0.00 WAT +ATOM 33008 OH2 TIP3 8900 -4.258 -26.980 -1.983 1.00 0.00 WAT +ATOM 33009 H1 TIP3 8900 -4.691 -27.032 -2.840 1.00 0.00 WAT +ATOM 33010 H2 TIP3 8900 -4.140 -26.016 -1.927 1.00 0.00 WAT +ATOM 33011 OH2 TIP3 8901 -2.315 -41.288 -4.287 1.00 0.00 WAT +ATOM 33012 H1 TIP3 8901 -1.629 -41.575 -4.919 1.00 0.00 WAT +ATOM 33013 H2 TIP3 8901 -1.796 -40.713 -3.699 1.00 0.00 WAT +ATOM 33014 OH2 TIP3 8902 4.918 -24.987 -3.388 1.00 0.00 WAT +ATOM 33015 H1 TIP3 8902 5.809 -25.185 -3.729 1.00 0.00 WAT +ATOM 33016 H2 TIP3 8902 4.410 -25.623 -3.918 1.00 0.00 WAT +ATOM 33017 OH2 TIP3 8903 11.302 -26.128 -1.057 1.00 0.00 WAT +ATOM 33018 H1 TIP3 8903 11.127 -26.962 -1.540 1.00 0.00 WAT +ATOM 33019 H2 TIP3 8903 11.273 -25.481 -1.784 1.00 0.00 WAT +ATOM 33020 OH2 TIP3 8904 -3.315 -41.782 10.407 1.00 0.00 WAT +ATOM 33021 H1 TIP3 8904 -3.755 -42.590 10.703 1.00 0.00 WAT +ATOM 33022 H2 TIP3 8904 -2.426 -42.140 10.265 1.00 0.00 WAT +ATOM 33023 OH2 TIP3 8905 -0.373 -42.790 13.035 1.00 0.00 WAT +ATOM 33024 H1 TIP3 8905 0.496 -43.050 12.658 1.00 0.00 WAT +ATOM 33025 H2 TIP3 8905 -0.613 -43.582 13.527 1.00 0.00 WAT +ATOM 33026 OH2 TIP3 8906 10.740 -27.346 11.301 1.00 0.00 WAT +ATOM 33027 H1 TIP3 8906 9.995 -27.508 10.692 1.00 0.00 WAT +ATOM 33028 H2 TIP3 8906 10.604 -26.400 11.495 1.00 0.00 WAT +ATOM 33029 OH2 TIP3 8907 24.967 -33.665 1.439 1.00 0.00 WAT +ATOM 33030 H1 TIP3 8907 24.958 -32.699 1.545 1.00 0.00 WAT +ATOM 33031 H2 TIP3 8907 24.196 -33.796 0.870 1.00 0.00 WAT +ATOM 33032 OH2 TIP3 8908 23.834 -34.225 4.509 1.00 0.00 WAT +ATOM 33033 H1 TIP3 8908 23.803 -34.787 5.299 1.00 0.00 WAT +ATOM 33034 H2 TIP3 8908 23.544 -34.840 3.819 1.00 0.00 WAT +ATOM 33035 OH2 TIP3 8909 16.285 -34.637 6.182 1.00 0.00 WAT +ATOM 33036 H1 TIP3 8909 16.277 -35.387 6.806 1.00 0.00 WAT +ATOM 33037 H2 TIP3 8909 17.001 -34.099 6.550 1.00 0.00 WAT +ATOM 33038 OH2 TIP3 8910 27.515 -31.500 2.832 1.00 0.00 WAT +ATOM 33039 H1 TIP3 8910 27.120 -32.195 3.375 1.00 0.00 WAT +ATOM 33040 H2 TIP3 8910 27.766 -30.853 3.505 1.00 0.00 WAT +ATOM 33041 OH2 TIP3 8911 16.924 -30.020 4.681 1.00 0.00 WAT +ATOM 33042 H1 TIP3 8911 16.734 -30.949 4.429 1.00 0.00 WAT +ATOM 33043 H2 TIP3 8911 17.868 -30.098 4.886 1.00 0.00 WAT +ATOM 33044 OH2 TIP3 8912 13.936 -36.614 0.075 1.00 0.00 WAT +ATOM 33045 H1 TIP3 8912 13.545 -35.729 0.149 1.00 0.00 WAT +ATOM 33046 H2 TIP3 8912 13.211 -37.106 -0.329 1.00 0.00 WAT +ATOM 33047 OH2 TIP3 8913 14.754 -34.132 1.937 1.00 0.00 WAT +ATOM 33048 H1 TIP3 8913 14.902 -34.976 2.408 1.00 0.00 WAT +ATOM 33049 H2 TIP3 8913 15.580 -34.039 1.445 1.00 0.00 WAT +ATOM 33050 OH2 TIP3 8914 24.567 -26.137 3.384 1.00 0.00 WAT +ATOM 33051 H1 TIP3 8914 25.164 -26.848 3.085 1.00 0.00 WAT +ATOM 33052 H2 TIP3 8914 24.277 -26.459 4.246 1.00 0.00 WAT +ATOM 33053 OH2 TIP3 8915 22.304 -31.718 5.083 1.00 0.00 WAT +ATOM 33054 H1 TIP3 8915 22.631 -32.426 4.501 1.00 0.00 WAT +ATOM 33055 H2 TIP3 8915 23.120 -31.557 5.595 1.00 0.00 WAT +ATOM 33056 OH2 TIP3 8916 30.862 -40.171 5.642 1.00 0.00 WAT +ATOM 33057 H1 TIP3 8916 31.199 -39.723 6.433 1.00 0.00 WAT +ATOM 33058 H2 TIP3 8916 31.515 -39.877 4.981 1.00 0.00 WAT +ATOM 33059 OH2 TIP3 8917 25.588 -37.405 5.600 1.00 0.00 WAT +ATOM 33060 H1 TIP3 8917 25.785 -38.357 5.605 1.00 0.00 WAT +ATOM 33061 H2 TIP3 8917 25.504 -37.235 4.648 1.00 0.00 WAT +ATOM 33062 OH2 TIP3 8918 18.544 -39.412 2.694 1.00 0.00 WAT +ATOM 33063 H1 TIP3 8918 18.720 -38.564 2.242 1.00 0.00 WAT +ATOM 33064 H2 TIP3 8918 18.226 -39.944 1.939 1.00 0.00 WAT +ATOM 33065 OH2 TIP3 8919 26.457 -39.216 1.024 1.00 0.00 WAT +ATOM 33066 H1 TIP3 8919 27.069 -39.645 1.656 1.00 0.00 WAT +ATOM 33067 H2 TIP3 8919 27.083 -38.770 0.434 1.00 0.00 WAT +ATOM 33068 OH2 TIP3 8920 15.264 -36.622 3.166 1.00 0.00 WAT +ATOM 33069 H1 TIP3 8920 15.872 -37.114 3.740 1.00 0.00 WAT +ATOM 33070 H2 TIP3 8920 15.338 -37.119 2.332 1.00 0.00 WAT +ATOM 33071 OH2 TIP3 8921 20.645 -35.252 2.628 1.00 0.00 WAT +ATOM 33072 H1 TIP3 8921 21.351 -35.801 3.019 1.00 0.00 WAT +ATOM 33073 H2 TIP3 8921 20.141 -35.919 2.126 1.00 0.00 WAT +ATOM 33074 OH2 TIP3 8922 31.806 -38.470 8.305 1.00 0.00 WAT +ATOM 33075 H1 TIP3 8922 31.047 -37.969 7.960 1.00 0.00 WAT +ATOM 33076 H2 TIP3 8922 31.412 -38.907 9.069 1.00 0.00 WAT +ATOM 33077 OH2 TIP3 8923 17.363 -40.563 6.843 1.00 0.00 WAT +ATOM 33078 H1 TIP3 8923 17.031 -40.005 6.119 1.00 0.00 WAT +ATOM 33079 H2 TIP3 8923 16.695 -40.363 7.530 1.00 0.00 WAT +ATOM 33080 OH2 TIP3 8924 24.871 -30.815 0.224 1.00 0.00 WAT +ATOM 33081 H1 TIP3 8924 24.563 -31.020 -0.663 1.00 0.00 WAT +ATOM 33082 H2 TIP3 8924 24.421 -29.970 0.410 1.00 0.00 WAT +ATOM 33083 OH2 TIP3 8925 20.314 -32.694 6.952 1.00 0.00 WAT +ATOM 33084 H1 TIP3 8925 19.574 -32.098 7.198 1.00 0.00 WAT +ATOM 33085 H2 TIP3 8925 20.929 -32.086 6.505 1.00 0.00 WAT +ATOM 33086 OH2 TIP3 8926 28.342 -40.141 3.046 1.00 0.00 WAT +ATOM 33087 H1 TIP3 8926 27.850 -40.604 3.735 1.00 0.00 WAT +ATOM 33088 H2 TIP3 8926 28.851 -39.500 3.571 1.00 0.00 WAT +ATOM 33089 OH2 TIP3 8927 16.977 -38.560 4.788 1.00 0.00 WAT +ATOM 33090 H1 TIP3 8927 17.608 -37.948 5.222 1.00 0.00 WAT +ATOM 33091 H2 TIP3 8927 17.540 -38.897 4.055 1.00 0.00 WAT +ATOM 33092 OH2 TIP3 8928 18.291 -30.833 7.675 1.00 0.00 WAT +ATOM 33093 H1 TIP3 8928 18.269 -29.911 7.359 1.00 0.00 WAT +ATOM 33094 H2 TIP3 8928 17.429 -30.876 8.132 1.00 0.00 WAT +ATOM 33095 OH2 TIP3 8929 14.601 -31.106 -1.440 1.00 0.00 WAT +ATOM 33096 H1 TIP3 8929 14.425 -30.633 -2.275 1.00 0.00 WAT +ATOM 33097 H2 TIP3 8929 14.766 -30.390 -0.800 1.00 0.00 WAT +ATOM 33098 OH2 TIP3 8930 28.062 -29.668 5.335 1.00 0.00 WAT +ATOM 33099 H1 TIP3 8930 27.091 -29.557 5.353 1.00 0.00 WAT +ATOM 33100 H2 TIP3 8930 28.327 -28.809 4.958 1.00 0.00 WAT +ATOM 33101 OH2 TIP3 8931 28.488 -41.097 7.056 1.00 0.00 WAT +ATOM 33102 H1 TIP3 8931 27.681 -40.779 6.618 1.00 0.00 WAT +ATOM 33103 H2 TIP3 8931 29.149 -40.968 6.351 1.00 0.00 WAT +ATOM 33104 OH2 TIP3 8932 21.594 43.813 4.089 1.00 0.00 WAT +ATOM 33105 H1 TIP3 8932 21.552 42.854 4.175 1.00 0.00 WAT +ATOM 33106 H2 TIP3 8932 20.715 44.121 4.389 1.00 0.00 WAT +ATOM 33107 OH2 TIP3 8933 26.393 -27.762 1.937 1.00 0.00 WAT +ATOM 33108 H1 TIP3 8933 26.881 -28.525 1.572 1.00 0.00 WAT +ATOM 33109 H2 TIP3 8933 27.019 -27.032 1.767 1.00 0.00 WAT +ATOM 33110 OH2 TIP3 8934 27.837 -29.898 0.507 1.00 0.00 WAT +ATOM 33111 H1 TIP3 8934 27.285 -30.324 -0.163 1.00 0.00 WAT +ATOM 33112 H2 TIP3 8934 27.752 -30.526 1.250 1.00 0.00 WAT +ATOM 33113 OH2 TIP3 8935 29.377 -31.051 9.004 1.00 0.00 WAT +ATOM 33114 H1 TIP3 8935 29.243 -31.693 8.283 1.00 0.00 WAT +ATOM 33115 H2 TIP3 8935 29.462 -30.212 8.510 1.00 0.00 WAT +ATOM 33116 OH2 TIP3 8936 23.609 -34.162 -1.295 1.00 0.00 WAT +ATOM 33117 H1 TIP3 8936 22.950 -33.537 -1.656 1.00 0.00 WAT +ATOM 33118 H2 TIP3 8936 24.324 -34.091 -1.947 1.00 0.00 WAT +ATOM 33119 OH2 TIP3 8937 23.904 -35.961 -4.245 1.00 0.00 WAT +ATOM 33120 H1 TIP3 8937 24.592 -35.646 -3.630 1.00 0.00 WAT +ATOM 33121 H2 TIP3 8937 24.428 -36.529 -4.827 1.00 0.00 WAT +ATOM 33122 OH2 TIP3 8938 31.114 -34.870 6.952 1.00 0.00 WAT +ATOM 33123 H1 TIP3 8938 30.382 -34.226 7.020 1.00 0.00 WAT +ATOM 33124 H2 TIP3 8938 31.584 -34.533 6.164 1.00 0.00 WAT +ATOM 33125 OH2 TIP3 8939 27.129 -34.150 -0.220 1.00 0.00 WAT +ATOM 33126 H1 TIP3 8939 26.442 -33.924 0.448 1.00 0.00 WAT +ATOM 33127 H2 TIP3 8939 27.727 -34.705 0.311 1.00 0.00 WAT +ATOM 33128 OH2 TIP3 8940 26.969 -35.616 8.614 1.00 0.00 WAT +ATOM 33129 H1 TIP3 8940 27.017 -34.799 9.137 1.00 0.00 WAT +ATOM 33130 H2 TIP3 8940 26.317 -35.326 7.950 1.00 0.00 WAT +ATOM 33131 OH2 TIP3 8941 18.702 -33.381 1.564 1.00 0.00 WAT +ATOM 33132 H1 TIP3 8941 18.404 -33.803 0.735 1.00 0.00 WAT +ATOM 33133 H2 TIP3 8941 19.373 -34.010 1.882 1.00 0.00 WAT +ATOM 33134 OH2 TIP3 8942 20.057 -29.994 4.314 1.00 0.00 WAT +ATOM 33135 H1 TIP3 8942 19.973 -30.334 3.412 1.00 0.00 WAT +ATOM 33136 H2 TIP3 8942 20.872 -30.436 4.620 1.00 0.00 WAT +ATOM 33137 OH2 TIP3 8943 19.321 -34.583 5.057 1.00 0.00 WAT +ATOM 33138 H1 TIP3 8943 19.876 -34.533 4.254 1.00 0.00 WAT +ATOM 33139 H2 TIP3 8943 19.708 -33.891 5.626 1.00 0.00 WAT +ATOM 33140 OH2 TIP3 8944 25.281 -29.062 5.625 1.00 0.00 WAT +ATOM 33141 H1 TIP3 8944 25.271 -28.379 6.317 1.00 0.00 WAT +ATOM 33142 H2 TIP3 8944 25.029 -29.873 6.101 1.00 0.00 WAT +ATOM 33143 OH2 TIP3 8945 20.146 -30.254 9.887 1.00 0.00 WAT +ATOM 33144 H1 TIP3 8945 19.635 -29.574 10.364 1.00 0.00 WAT +ATOM 33145 H2 TIP3 8945 19.513 -30.507 9.188 1.00 0.00 WAT +ATOM 33146 OH2 TIP3 8946 26.095 -34.725 -2.760 1.00 0.00 WAT +ATOM 33147 H1 TIP3 8946 26.554 -34.426 -1.947 1.00 0.00 WAT +ATOM 33148 H2 TIP3 8946 26.582 -34.204 -3.446 1.00 0.00 WAT +ATOM 33149 OH2 TIP3 8947 17.088 -33.852 9.005 1.00 0.00 WAT +ATOM 33150 H1 TIP3 8947 17.136 -33.267 9.784 1.00 0.00 WAT +ATOM 33151 H2 TIP3 8947 16.128 -33.982 8.922 1.00 0.00 WAT +ATOM 33152 OH2 TIP3 8948 23.545 -28.102 0.811 1.00 0.00 WAT +ATOM 33153 H1 TIP3 8948 23.983 -27.768 1.602 1.00 0.00 WAT +ATOM 33154 H2 TIP3 8948 23.060 -27.323 0.494 1.00 0.00 WAT +ATOM 33155 OH2 TIP3 8949 18.264 -28.081 10.697 1.00 0.00 WAT +ATOM 33156 H1 TIP3 8949 18.148 -28.007 9.734 1.00 0.00 WAT +ATOM 33157 H2 TIP3 8949 17.375 -28.332 11.010 1.00 0.00 WAT +ATOM 33158 OH2 TIP3 8950 29.272 -43.207 -3.544 1.00 0.00 WAT +ATOM 33159 H1 TIP3 8950 28.847 -43.237 -2.676 1.00 0.00 WAT +ATOM 33160 H2 TIP3 8950 30.059 -42.687 -3.329 1.00 0.00 WAT +ATOM 33161 OH2 TIP3 8951 17.629 -34.626 -0.896 1.00 0.00 WAT +ATOM 33162 H1 TIP3 8951 17.446 -33.869 -1.480 1.00 0.00 WAT +ATOM 33163 H2 TIP3 8951 16.979 -35.272 -1.202 1.00 0.00 WAT +ATOM 33164 OH2 TIP3 8952 30.895 -28.835 -4.711 1.00 0.00 WAT +ATOM 33165 H1 TIP3 8952 31.041 -27.891 -4.502 1.00 0.00 WAT +ATOM 33166 H2 TIP3 8952 31.770 -29.221 -4.517 1.00 0.00 WAT +ATOM 33167 OH2 TIP3 8953 13.685 -31.967 7.812 1.00 0.00 WAT +ATOM 33168 H1 TIP3 8953 13.278 -32.007 6.926 1.00 0.00 WAT +ATOM 33169 H2 TIP3 8953 13.842 -32.911 8.005 1.00 0.00 WAT +ATOM 33170 OH2 TIP3 8954 13.686 -28.962 4.876 1.00 0.00 WAT +ATOM 33171 H1 TIP3 8954 14.549 -29.376 4.710 1.00 0.00 WAT +ATOM 33172 H2 TIP3 8954 13.912 -28.463 5.682 1.00 0.00 WAT +ATOM 33173 OH2 TIP3 8955 32.145 -28.414 10.517 1.00 0.00 WAT +ATOM 33174 H1 TIP3 8955 32.034 -29.362 10.323 1.00 0.00 WAT +ATOM 33175 H2 TIP3 8955 31.233 -28.181 10.803 1.00 0.00 WAT +ATOM 33176 OH2 TIP3 8956 22.797 -29.204 9.326 1.00 0.00 WAT +ATOM 33177 H1 TIP3 8956 22.866 -28.370 9.834 1.00 0.00 WAT +ATOM 33178 H2 TIP3 8956 21.888 -29.491 9.544 1.00 0.00 WAT +ATOM 33179 OH2 TIP3 8957 23.173 -25.402 -0.731 1.00 0.00 WAT +ATOM 33180 H1 TIP3 8957 23.089 -25.254 -1.690 1.00 0.00 WAT +ATOM 33181 H2 TIP3 8957 23.084 -24.505 -0.373 1.00 0.00 WAT +ATOM 33182 OH2 TIP3 8958 16.967 -26.383 0.838 1.00 0.00 WAT +ATOM 33183 H1 TIP3 8958 17.049 -26.649 1.773 1.00 0.00 WAT +ATOM 33184 H2 TIP3 8958 16.052 -26.609 0.638 1.00 0.00 WAT +ATOM 33185 OH2 TIP3 8959 26.396 -25.955 -3.533 1.00 0.00 WAT +ATOM 33186 H1 TIP3 8959 26.955 -26.622 -3.978 1.00 0.00 WAT +ATOM 33187 H2 TIP3 8959 26.323 -26.331 -2.632 1.00 0.00 WAT +ATOM 33188 OH2 TIP3 8960 25.783 -26.554 -0.731 1.00 0.00 WAT +ATOM 33189 H1 TIP3 8960 24.838 -26.332 -0.616 1.00 0.00 WAT +ATOM 33190 H2 TIP3 8960 25.874 -27.267 -0.078 1.00 0.00 WAT +ATOM 33191 OH2 TIP3 8961 28.946 -37.083 10.915 1.00 0.00 WAT +ATOM 33192 H1 TIP3 8961 28.426 -36.683 10.203 1.00 0.00 WAT +ATOM 33193 H2 TIP3 8961 29.007 -38.009 10.617 1.00 0.00 WAT +ATOM 33194 OH2 TIP3 8962 15.896 -30.421 9.076 1.00 0.00 WAT +ATOM 33195 H1 TIP3 8962 16.172 -30.896 9.887 1.00 0.00 WAT +ATOM 33196 H2 TIP3 8962 15.167 -30.968 8.735 1.00 0.00 WAT +ATOM 33197 OH2 TIP3 8963 19.106 -42.204 4.983 1.00 0.00 WAT +ATOM 33198 H1 TIP3 8963 18.285 -42.423 4.522 1.00 0.00 WAT +ATOM 33199 H2 TIP3 8963 18.866 -41.360 5.394 1.00 0.00 WAT +ATOM 33200 OH2 TIP3 8964 23.668 -42.621 8.552 1.00 0.00 WAT +ATOM 33201 H1 TIP3 8964 23.850 -43.093 9.370 1.00 0.00 WAT +ATOM 33202 H2 TIP3 8964 22.720 -42.775 8.445 1.00 0.00 WAT +ATOM 33203 OH2 TIP3 8965 26.645 -38.631 8.981 1.00 0.00 WAT +ATOM 33204 H1 TIP3 8965 26.044 -38.748 9.740 1.00 0.00 WAT +ATOM 33205 H2 TIP3 8965 26.574 -37.680 8.788 1.00 0.00 WAT +ATOM 33206 OH2 TIP3 8966 27.633 -33.651 -4.765 1.00 0.00 WAT +ATOM 33207 H1 TIP3 8966 27.434 -33.797 -5.709 1.00 0.00 WAT +ATOM 33208 H2 TIP3 8966 28.559 -33.356 -4.814 1.00 0.00 WAT +ATOM 33209 OH2 TIP3 8967 23.289 -39.944 -4.304 1.00 0.00 WAT +ATOM 33210 H1 TIP3 8967 22.744 -40.042 -3.499 1.00 0.00 WAT +ATOM 33211 H2 TIP3 8967 22.786 -40.540 -4.902 1.00 0.00 WAT +ATOM 33212 OH2 TIP3 8968 18.950 -37.157 6.236 1.00 0.00 WAT +ATOM 33213 H1 TIP3 8968 18.360 -37.026 6.996 1.00 0.00 WAT +ATOM 33214 H2 TIP3 8968 19.035 -36.246 5.877 1.00 0.00 WAT +ATOM 33215 OH2 TIP3 8969 18.894 -37.091 1.129 1.00 0.00 WAT +ATOM 33216 H1 TIP3 8969 17.938 -37.175 0.959 1.00 0.00 WAT +ATOM 33217 H2 TIP3 8969 19.249 -37.266 0.235 1.00 0.00 WAT +ATOM 33218 OH2 TIP3 8970 24.511 -36.516 -0.112 1.00 0.00 WAT +ATOM 33219 H1 TIP3 8970 24.098 -35.686 -0.439 1.00 0.00 WAT +ATOM 33220 H2 TIP3 8970 25.178 -36.671 -0.800 1.00 0.00 WAT +ATOM 33221 OH2 TIP3 8971 23.698 -36.320 11.227 1.00 0.00 WAT +ATOM 33222 H1 TIP3 8971 23.178 -37.058 11.603 1.00 0.00 WAT +ATOM 33223 H2 TIP3 8971 24.564 -36.441 11.659 1.00 0.00 WAT +ATOM 33224 OH2 TIP3 8972 25.362 -37.111 2.672 1.00 0.00 WAT +ATOM 33225 H1 TIP3 8972 25.065 -36.532 1.941 1.00 0.00 WAT +ATOM 33226 H2 TIP3 8972 25.567 -37.920 2.161 1.00 0.00 WAT +ATOM 33227 OH2 TIP3 8973 16.310 -36.962 8.059 1.00 0.00 WAT +ATOM 33228 H1 TIP3 8973 16.593 -36.686 8.938 1.00 0.00 WAT +ATOM 33229 H2 TIP3 8973 15.919 -37.837 8.250 1.00 0.00 WAT +ATOM 33230 OH2 TIP3 8974 19.680 -39.445 -5.362 1.00 0.00 WAT +ATOM 33231 H1 TIP3 8974 19.327 -39.787 -4.520 1.00 0.00 WAT +ATOM 33232 H2 TIP3 8974 18.880 -39.262 -5.871 1.00 0.00 WAT +ATOM 33233 OH2 TIP3 8975 13.112 -39.558 1.710 1.00 0.00 WAT +ATOM 33234 H1 TIP3 8975 13.694 -39.561 2.494 1.00 0.00 WAT +ATOM 33235 H2 TIP3 8975 13.666 -39.931 1.012 1.00 0.00 WAT +ATOM 33236 OH2 TIP3 8976 14.715 -39.107 -2.578 1.00 0.00 WAT +ATOM 33237 H1 TIP3 8976 15.253 -38.598 -3.217 1.00 0.00 WAT +ATOM 33238 H2 TIP3 8976 14.000 -38.466 -2.399 1.00 0.00 WAT +ATOM 33239 OH2 TIP3 8977 24.464 -35.433 7.133 1.00 0.00 WAT +ATOM 33240 H1 TIP3 8977 24.890 -36.162 6.627 1.00 0.00 WAT +ATOM 33241 H2 TIP3 8977 24.122 -35.905 7.905 1.00 0.00 WAT +ATOM 33242 OH2 TIP3 8978 21.665 -39.431 2.110 1.00 0.00 WAT +ATOM 33243 H1 TIP3 8978 20.728 -39.582 2.316 1.00 0.00 WAT +ATOM 33244 H2 TIP3 8978 22.094 -39.717 2.934 1.00 0.00 WAT +ATOM 33245 OH2 TIP3 8979 16.225 -38.267 0.823 1.00 0.00 WAT +ATOM 33246 H1 TIP3 8979 15.417 -37.983 0.358 1.00 0.00 WAT +ATOM 33247 H2 TIP3 8979 16.494 -39.076 0.347 1.00 0.00 WAT +ATOM 33248 OH2 TIP3 8980 19.857 -37.904 -1.481 1.00 0.00 WAT +ATOM 33249 H1 TIP3 8980 20.827 -37.834 -1.459 1.00 0.00 WAT +ATOM 33250 H2 TIP3 8980 19.602 -37.332 -2.227 1.00 0.00 WAT +ATOM 33251 OH2 TIP3 8981 26.007 -40.328 5.157 1.00 0.00 WAT +ATOM 33252 H1 TIP3 8981 25.371 -40.346 5.901 1.00 0.00 WAT +ATOM 33253 H2 TIP3 8981 25.427 -40.634 4.438 1.00 0.00 WAT +ATOM 33254 OH2 TIP3 8982 18.335 -36.730 -3.728 1.00 0.00 WAT +ATOM 33255 H1 TIP3 8982 17.741 -36.946 -4.463 1.00 0.00 WAT +ATOM 33256 H2 TIP3 8982 19.140 -36.480 -4.215 1.00 0.00 WAT +ATOM 33257 OH2 TIP3 8983 29.061 -24.583 11.822 1.00 0.00 WAT +ATOM 33258 H1 TIP3 8983 29.254 -24.117 10.991 1.00 0.00 WAT +ATOM 33259 H2 TIP3 8983 29.757 -24.249 12.410 1.00 0.00 WAT +ATOM 33260 OH2 TIP3 8984 16.966 -31.961 11.248 1.00 0.00 WAT +ATOM 33261 H1 TIP3 8984 17.645 -31.867 11.949 1.00 0.00 WAT +ATOM 33262 H2 TIP3 8984 16.163 -31.955 11.803 1.00 0.00 WAT +ATOM 33263 OH2 TIP3 8985 22.682 -36.940 3.975 1.00 0.00 WAT +ATOM 33264 H1 TIP3 8985 23.401 -37.376 3.494 1.00 0.00 WAT +ATOM 33265 H2 TIP3 8985 22.518 -37.566 4.706 1.00 0.00 WAT +ATOM 33266 OH2 TIP3 8986 17.810 -40.660 0.192 1.00 0.00 WAT +ATOM 33267 H1 TIP3 8986 17.360 -41.515 0.315 1.00 0.00 WAT +ATOM 33268 H2 TIP3 8986 18.662 -40.930 -0.180 1.00 0.00 WAT +ATOM 33269 OH2 TIP3 8987 21.642 -38.495 6.229 1.00 0.00 WAT +ATOM 33270 H1 TIP3 8987 20.889 -37.882 6.216 1.00 0.00 WAT +ATOM 33271 H2 TIP3 8987 22.137 -38.218 7.027 1.00 0.00 WAT +ATOM 33272 OH2 TIP3 8988 21.794 -32.103 -1.892 1.00 0.00 WAT +ATOM 33273 H1 TIP3 8988 21.026 -32.599 -2.248 1.00 0.00 WAT +ATOM 33274 H2 TIP3 8988 21.589 -32.053 -0.930 1.00 0.00 WAT +ATOM 33275 OH2 TIP3 8989 29.014 -32.936 6.848 1.00 0.00 WAT +ATOM 33276 H1 TIP3 8989 29.508 -32.390 6.199 1.00 0.00 WAT +ATOM 33277 H2 TIP3 8989 28.159 -33.051 6.388 1.00 0.00 WAT +ATOM 33278 OH2 TIP3 8990 25.962 -39.302 -4.285 1.00 0.00 WAT +ATOM 33279 H1 TIP3 8990 24.980 -39.383 -4.251 1.00 0.00 WAT +ATOM 33280 H2 TIP3 8990 26.147 -38.626 -3.601 1.00 0.00 WAT +ATOM 33281 OH2 TIP3 8991 23.438 -32.083 9.434 1.00 0.00 WAT +ATOM 33282 H1 TIP3 8991 23.129 -32.400 10.293 1.00 0.00 WAT +ATOM 33283 H2 TIP3 8991 23.129 -31.164 9.427 1.00 0.00 WAT +ATOM 33284 OH2 TIP3 8992 26.613 -37.495 -2.135 1.00 0.00 WAT +ATOM 33285 H1 TIP3 8992 27.477 -37.622 -1.697 1.00 0.00 WAT +ATOM 33286 H2 TIP3 8992 26.698 -36.593 -2.497 1.00 0.00 WAT +ATOM 33287 OH2 TIP3 8993 16.936 -32.705 3.929 1.00 0.00 WAT +ATOM 33288 H1 TIP3 8993 17.488 -32.810 3.135 1.00 0.00 WAT +ATOM 33289 H2 TIP3 8993 17.031 -33.570 4.356 1.00 0.00 WAT +ATOM 33290 OH2 TIP3 8994 24.190 -30.739 -2.952 1.00 0.00 WAT +ATOM 33291 H1 TIP3 8994 23.924 -29.865 -2.598 1.00 0.00 WAT +ATOM 33292 H2 TIP3 8994 23.424 -31.280 -2.688 1.00 0.00 WAT +ATOM 33293 OH2 TIP3 8995 14.172 -34.423 9.199 1.00 0.00 WAT +ATOM 33294 H1 TIP3 8995 14.349 -34.875 10.048 1.00 0.00 WAT +ATOM 33295 H2 TIP3 8995 13.593 -35.051 8.737 1.00 0.00 WAT +ATOM 33296 OH2 TIP3 8996 21.162 -34.926 11.176 1.00 0.00 WAT +ATOM 33297 H1 TIP3 8996 20.815 -35.172 10.302 1.00 0.00 WAT +ATOM 33298 H2 TIP3 8996 22.093 -35.197 11.082 1.00 0.00 WAT +ATOM 33299 OH2 TIP3 8997 25.702 -29.502 8.907 1.00 0.00 WAT +ATOM 33300 H1 TIP3 8997 24.737 -29.416 8.832 1.00 0.00 WAT +ATOM 33301 H2 TIP3 8997 25.852 -29.242 9.831 1.00 0.00 WAT +ATOM 33302 OH2 TIP3 8998 31.231 -37.457 -2.327 1.00 0.00 WAT +ATOM 33303 H1 TIP3 8998 30.663 -37.646 -3.100 1.00 0.00 WAT +ATOM 33304 H2 TIP3 8998 31.343 -36.494 -2.460 1.00 0.00 WAT +ATOM 33305 OH2 TIP3 8999 31.688 -31.392 10.472 1.00 0.00 WAT +ATOM 33306 H1 TIP3 8999 30.747 -31.189 10.281 1.00 0.00 WAT +ATOM 33307 H2 TIP3 8999 32.013 -31.588 9.571 1.00 0.00 WAT +ATOM 33308 OH2 TIP3 9000 29.430 -28.834 -2.225 1.00 0.00 WAT +ATOM 33309 H1 TIP3 9000 29.216 -29.616 -1.696 1.00 0.00 WAT +ATOM 33310 H2 TIP3 9000 29.951 -29.196 -2.956 1.00 0.00 WAT +ATOM 33311 OH2 TIP3 9001 26.674 -33.506 5.161 1.00 0.00 WAT +ATOM 33312 H1 TIP3 9001 25.741 -33.649 4.912 1.00 0.00 WAT +ATOM 33313 H2 TIP3 9001 27.108 -34.221 4.654 1.00 0.00 WAT +ATOM 33314 OH2 TIP3 9002 19.282 -29.399 1.222 1.00 0.00 WAT +ATOM 33315 H1 TIP3 9002 19.724 -28.544 1.084 1.00 0.00 WAT +ATOM 33316 H2 TIP3 9002 18.385 -29.186 0.938 1.00 0.00 WAT +ATOM 33317 OH2 TIP3 9003 15.305 -34.632 -4.191 1.00 0.00 WAT +ATOM 33318 H1 TIP3 9003 15.875 -33.939 -3.811 1.00 0.00 WAT +ATOM 33319 H2 TIP3 9003 14.425 -34.343 -3.883 1.00 0.00 WAT +ATOM 33320 OH2 TIP3 9004 21.136 -31.736 0.812 1.00 0.00 WAT +ATOM 33321 H1 TIP3 9004 20.864 -30.815 0.955 1.00 0.00 WAT +ATOM 33322 H2 TIP3 9004 20.414 -32.216 1.241 1.00 0.00 WAT +ATOM 33323 OH2 TIP3 9005 21.299 -27.473 7.166 1.00 0.00 WAT +ATOM 33324 H1 TIP3 9005 21.836 -26.721 6.863 1.00 0.00 WAT +ATOM 33325 H2 TIP3 9005 21.935 -27.946 7.726 1.00 0.00 WAT +ATOM 33326 OH2 TIP3 9006 19.745 -26.550 0.419 1.00 0.00 WAT +ATOM 33327 H1 TIP3 9006 18.791 -26.352 0.475 1.00 0.00 WAT +ATOM 33328 H2 TIP3 9006 20.129 -25.671 0.637 1.00 0.00 WAT +ATOM 33329 OH2 TIP3 9007 24.714 -31.718 6.733 1.00 0.00 WAT +ATOM 33330 H1 TIP3 9007 24.423 -31.996 7.619 1.00 0.00 WAT +ATOM 33331 H2 TIP3 9007 25.446 -32.331 6.558 1.00 0.00 WAT +ATOM 33332 OH2 TIP3 9008 26.884 -30.429 -4.354 1.00 0.00 WAT +ATOM 33333 H1 TIP3 9008 27.300 -30.873 -3.593 1.00 0.00 WAT +ATOM 33334 H2 TIP3 9008 25.952 -30.546 -4.104 1.00 0.00 WAT +ATOM 33335 OH2 TIP3 9009 27.667 -27.153 9.117 1.00 0.00 WAT +ATOM 33336 H1 TIP3 9009 26.903 -27.608 8.711 1.00 0.00 WAT +ATOM 33337 H2 TIP3 9009 27.745 -26.354 8.563 1.00 0.00 WAT +ATOM 33338 OH2 TIP3 9010 31.636 -26.155 -3.822 1.00 0.00 WAT +ATOM 33339 H1 TIP3 9010 32.302 -25.498 -4.081 1.00 0.00 WAT +ATOM 33340 H2 TIP3 9010 30.850 -25.578 -3.791 1.00 0.00 WAT +ATOM 33341 OH2 TIP3 9011 15.522 -39.609 8.785 1.00 0.00 WAT +ATOM 33342 H1 TIP3 9011 14.610 -39.427 8.470 1.00 0.00 WAT +ATOM 33343 H2 TIP3 9011 15.364 -40.473 9.224 1.00 0.00 WAT +ATOM 33344 OH2 TIP3 9012 27.844 -31.811 -1.970 1.00 0.00 WAT +ATOM 33345 H1 TIP3 9012 27.576 -32.524 -1.364 1.00 0.00 WAT +ATOM 33346 H2 TIP3 9012 28.812 -31.822 -1.874 1.00 0.00 WAT +ATOM 33347 OH2 TIP3 9013 15.212 -28.078 7.223 1.00 0.00 WAT +ATOM 33348 H1 TIP3 9013 15.633 -28.937 7.379 1.00 0.00 WAT +ATOM 33349 H2 TIP3 9013 15.469 -27.612 8.030 1.00 0.00 WAT +ATOM 33350 OH2 TIP3 9014 21.129 -29.364 -5.780 1.00 0.00 WAT +ATOM 33351 H1 TIP3 9014 21.415 -30.159 -6.264 1.00 0.00 WAT +ATOM 33352 H2 TIP3 9014 20.701 -29.753 -4.998 1.00 0.00 WAT +ATOM 33353 OH2 TIP3 9015 19.972 -29.851 -3.059 1.00 0.00 WAT +ATOM 33354 H1 TIP3 9015 20.494 -30.357 -2.421 1.00 0.00 WAT +ATOM 33355 H2 TIP3 9015 20.110 -28.928 -2.753 1.00 0.00 WAT +ATOM 33356 OH2 TIP3 9016 16.813 -32.411 -2.654 1.00 0.00 WAT +ATOM 33357 H1 TIP3 9016 16.077 -32.020 -2.144 1.00 0.00 WAT +ATOM 33358 H2 TIP3 9016 17.268 -31.609 -2.963 1.00 0.00 WAT +ATOM 33359 OH2 TIP3 9017 24.416 -40.074 7.449 1.00 0.00 WAT +ATOM 33360 H1 TIP3 9017 25.048 -39.813 8.133 1.00 0.00 WAT +ATOM 33361 H2 TIP3 9017 24.060 -40.916 7.787 1.00 0.00 WAT +ATOM 33362 OH2 TIP3 9018 25.222 -40.577 -1.406 1.00 0.00 WAT +ATOM 33363 H1 TIP3 9018 25.262 -39.974 -2.163 1.00 0.00 WAT +ATOM 33364 H2 TIP3 9018 25.565 -40.017 -0.690 1.00 0.00 WAT +ATOM 33365 OH2 TIP3 9019 22.898 -28.256 -2.442 1.00 0.00 WAT +ATOM 33366 H1 TIP3 9019 22.106 -27.734 -2.232 1.00 0.00 WAT +ATOM 33367 H2 TIP3 9019 23.279 -27.740 -3.167 1.00 0.00 WAT +ATOM 33368 OH2 TIP3 9020 22.557 -38.527 -0.407 1.00 0.00 WAT +ATOM 33369 H1 TIP3 9020 23.281 -37.881 -0.271 1.00 0.00 WAT +ATOM 33370 H2 TIP3 9020 22.246 -38.671 0.510 1.00 0.00 WAT +ATOM 33371 OH2 TIP3 9021 22.876 -37.607 8.712 1.00 0.00 WAT +ATOM 33372 H1 TIP3 9021 22.955 -37.095 9.535 1.00 0.00 WAT +ATOM 33373 H2 TIP3 9021 23.444 -38.366 8.889 1.00 0.00 WAT +ATOM 33374 OH2 TIP3 9022 23.267 -41.730 0.601 1.00 0.00 WAT +ATOM 33375 H1 TIP3 9022 22.920 -40.974 1.103 1.00 0.00 WAT +ATOM 33376 H2 TIP3 9022 23.805 -41.285 -0.079 1.00 0.00 WAT +ATOM 33377 OH2 TIP3 9023 20.106 -27.150 -2.430 1.00 0.00 WAT +ATOM 33378 H1 TIP3 9023 20.064 -26.340 -2.985 1.00 0.00 WAT +ATOM 33379 H2 TIP3 9023 19.960 -26.786 -1.537 1.00 0.00 WAT +ATOM 33380 OH2 TIP3 9024 18.803 -40.508 -2.907 1.00 0.00 WAT +ATOM 33381 H1 TIP3 9024 18.823 -39.687 -2.385 1.00 0.00 WAT +ATOM 33382 H2 TIP3 9024 19.683 -40.871 -2.685 1.00 0.00 WAT +ATOM 33383 OH2 TIP3 9025 29.259 -39.630 9.532 1.00 0.00 WAT +ATOM 33384 H1 TIP3 9025 28.292 -39.520 9.442 1.00 0.00 WAT +ATOM 33385 H2 TIP3 9025 29.454 -39.888 8.620 1.00 0.00 WAT +ATOM 33386 OH2 TIP3 9026 27.671 -35.739 3.631 1.00 0.00 WAT +ATOM 33387 H1 TIP3 9026 26.851 -36.191 3.359 1.00 0.00 WAT +ATOM 33388 H2 TIP3 9026 28.160 -36.458 4.090 1.00 0.00 WAT +ATOM 33389 OH2 TIP3 9027 17.227 -29.628 -3.885 1.00 0.00 WAT +ATOM 33390 H1 TIP3 9027 17.949 -29.093 -3.512 1.00 0.00 WAT +ATOM 33391 H2 TIP3 9027 17.727 -30.098 -4.572 1.00 0.00 WAT +ATOM 33392 OH2 TIP3 9028 15.377 -37.448 -4.789 1.00 0.00 WAT +ATOM 33393 H1 TIP3 9028 15.501 -36.506 -4.562 1.00 0.00 WAT +ATOM 33394 H2 TIP3 9028 14.511 -37.432 -5.218 1.00 0.00 WAT +ATOM 33395 OH2 TIP3 9029 28.697 -26.889 5.032 1.00 0.00 WAT +ATOM 33396 H1 TIP3 9029 28.493 -26.092 4.505 1.00 0.00 WAT +ATOM 33397 H2 TIP3 9029 29.625 -26.717 5.253 1.00 0.00 WAT +ATOM 33398 OH2 TIP3 9030 15.510 -42.425 4.181 1.00 0.00 WAT +ATOM 33399 H1 TIP3 9030 15.900 -42.411 3.299 1.00 0.00 WAT +ATOM 33400 H2 TIP3 9030 15.737 -43.332 4.440 1.00 0.00 WAT +ATOM 33401 OH2 TIP3 9031 15.135 -28.794 0.374 1.00 0.00 WAT +ATOM 33402 H1 TIP3 9031 14.322 -28.298 0.233 1.00 0.00 WAT +ATOM 33403 H2 TIP3 9031 15.693 -28.419 -0.324 1.00 0.00 WAT +ATOM 33404 OH2 TIP3 9032 14.595 -25.961 11.432 1.00 0.00 WAT +ATOM 33405 H1 TIP3 9032 15.152 -26.244 12.183 1.00 0.00 WAT +ATOM 33406 H2 TIP3 9032 14.191 -26.805 11.151 1.00 0.00 WAT +ATOM 33407 OH2 TIP3 9033 19.278 -26.936 13.227 1.00 0.00 WAT +ATOM 33408 H1 TIP3 9033 19.985 -27.572 13.416 1.00 0.00 WAT +ATOM 33409 H2 TIP3 9033 19.063 -27.168 12.309 1.00 0.00 WAT +ATOM 33410 OH2 TIP3 9034 23.354 -27.665 -5.277 1.00 0.00 WAT +ATOM 33411 H1 TIP3 9034 22.588 -28.271 -5.369 1.00 0.00 WAT +ATOM 33412 H2 TIP3 9034 24.053 -28.208 -5.671 1.00 0.00 WAT +ATOM 33413 OH2 TIP3 9035 25.777 -28.656 11.782 1.00 0.00 WAT +ATOM 33414 H1 TIP3 9035 25.367 -29.459 12.151 1.00 0.00 WAT +ATOM 33415 H2 TIP3 9035 26.450 -28.438 12.449 1.00 0.00 WAT +ATOM 33416 OH2 TIP3 9036 27.967 -27.750 -5.152 1.00 0.00 WAT +ATOM 33417 H1 TIP3 9036 28.144 -28.572 -4.666 1.00 0.00 WAT +ATOM 33418 H2 TIP3 9036 28.729 -27.699 -5.758 1.00 0.00 WAT +ATOM 33419 OH2 TIP3 9037 14.550 -32.355 12.549 1.00 0.00 WAT +ATOM 33420 H1 TIP3 9037 14.645 -33.257 12.202 1.00 0.00 WAT +ATOM 33421 H2 TIP3 9037 13.785 -32.040 12.030 1.00 0.00 WAT +ATOM 33422 OH2 TIP3 9038 18.763 -31.938 -5.438 1.00 0.00 WAT +ATOM 33423 H1 TIP3 9038 18.940 -32.522 -4.682 1.00 0.00 WAT +ATOM 33424 H2 TIP3 9038 19.626 -31.957 -5.893 1.00 0.00 WAT +ATOM 33425 OH2 TIP3 9039 21.191 -32.160 11.888 1.00 0.00 WAT +ATOM 33426 H1 TIP3 9039 20.876 -31.824 11.032 1.00 0.00 WAT +ATOM 33427 H2 TIP3 9039 21.249 -33.125 11.735 1.00 0.00 WAT +ATOM 33428 OH2 TIP3 9040 24.007 -30.609 -5.823 1.00 0.00 WAT +ATOM 33429 H1 TIP3 9040 23.954 -30.642 -4.853 1.00 0.00 WAT +ATOM 33430 H2 TIP3 9040 23.951 -31.565 -6.032 1.00 0.00 WAT +ATOM 33431 OH2 TIP3 9041 26.553 -32.539 9.286 1.00 0.00 WAT +ATOM 33432 H1 TIP3 9041 27.326 -31.995 9.074 1.00 0.00 WAT +ATOM 33433 H2 TIP3 9041 25.845 -31.875 9.260 1.00 0.00 WAT +ATOM 33434 OH2 TIP3 9042 15.414 -35.230 11.713 1.00 0.00 WAT +ATOM 33435 H1 TIP3 9042 16.164 -35.850 11.725 1.00 0.00 WAT +ATOM 33436 H2 TIP3 9042 15.369 -34.993 12.653 1.00 0.00 WAT +ATOM 33437 OH2 TIP3 9043 19.858 -33.854 -3.095 1.00 0.00 WAT +ATOM 33438 H1 TIP3 9043 19.248 -34.365 -2.545 1.00 0.00 WAT +ATOM 33439 H2 TIP3 9043 20.157 -34.532 -3.735 1.00 0.00 WAT +ATOM 33440 OH2 TIP3 9044 19.064 -36.089 9.151 1.00 0.00 WAT +ATOM 33441 H1 TIP3 9044 18.532 -35.296 9.350 1.00 0.00 WAT +ATOM 33442 H2 TIP3 9044 19.718 -35.730 8.524 1.00 0.00 WAT +ATOM 33443 OH2 TIP3 9045 20.797 -35.839 -4.841 1.00 0.00 WAT +ATOM 33444 H1 TIP3 9045 20.756 -35.746 -5.811 1.00 0.00 WAT +ATOM 33445 H2 TIP3 9045 21.760 -35.866 -4.690 1.00 0.00 WAT +ATOM 33446 OH2 TIP3 9046 24.382 -33.376 12.717 1.00 0.00 WAT +ATOM 33447 H1 TIP3 9046 25.276 -33.572 12.403 1.00 0.00 WAT +ATOM 33448 H2 TIP3 9046 24.122 -34.220 13.110 1.00 0.00 WAT +ATOM 33449 OH2 TIP3 9047 30.336 -33.323 -5.522 1.00 0.00 WAT +ATOM 33450 H1 TIP3 9047 30.207 -33.723 -6.393 1.00 0.00 WAT +ATOM 33451 H2 TIP3 9047 30.207 -32.373 -5.739 1.00 0.00 WAT +ATOM 33452 OH2 TIP3 9048 19.660 -38.792 10.261 1.00 0.00 WAT +ATOM 33453 H1 TIP3 9048 19.745 -39.437 9.540 1.00 0.00 WAT +ATOM 33454 H2 TIP3 9048 19.459 -37.975 9.770 1.00 0.00 WAT +ATOM 33455 OH2 TIP3 9049 20.044 -40.373 7.685 1.00 0.00 WAT +ATOM 33456 H1 TIP3 9049 20.572 -39.816 7.075 1.00 0.00 WAT +ATOM 33457 H2 TIP3 9049 19.135 -40.261 7.338 1.00 0.00 WAT +ATOM 33458 OH2 TIP3 9050 21.552 -34.874 8.148 1.00 0.00 WAT +ATOM 33459 H1 TIP3 9050 22.385 -34.947 7.661 1.00 0.00 WAT +ATOM 33460 H2 TIP3 9050 21.232 -34.001 7.842 1.00 0.00 WAT +ATOM 33461 OH2 TIP3 9051 26.118 -36.929 12.918 1.00 0.00 WAT +ATOM 33462 H1 TIP3 9051 26.319 -37.863 13.092 1.00 0.00 WAT +ATOM 33463 H2 TIP3 9051 27.007 -36.543 12.875 1.00 0.00 WAT +ATOM 33464 OH2 TIP3 9052 27.103 -34.148 11.420 1.00 0.00 WAT +ATOM 33465 H1 TIP3 9052 26.747 -33.537 10.740 1.00 0.00 WAT +ATOM 33466 H2 TIP3 9052 27.995 -34.297 11.048 1.00 0.00 WAT +ATOM 33467 OH2 TIP3 9053 17.874 -36.961 12.089 1.00 0.00 WAT +ATOM 33468 H1 TIP3 9053 17.357 -37.784 12.099 1.00 0.00 WAT +ATOM 33469 H2 TIP3 9053 18.682 -37.246 11.636 1.00 0.00 WAT +ATOM 33470 OH2 TIP3 9054 20.511 -42.774 8.900 1.00 0.00 WAT +ATOM 33471 H1 TIP3 9054 20.657 -41.872 8.547 1.00 0.00 WAT +ATOM 33472 H2 TIP3 9054 19.575 -42.869 8.685 1.00 0.00 WAT +ATOM 33473 OH2 TIP3 9055 21.999 -38.439 11.863 1.00 0.00 WAT +ATOM 33474 H1 TIP3 9055 21.688 -38.712 12.744 1.00 0.00 WAT +ATOM 33475 H2 TIP3 9055 21.191 -38.631 11.342 1.00 0.00 WAT +ATOM 33476 OH2 TIP3 9056 24.591 -39.445 10.843 1.00 0.00 WAT +ATOM 33477 H1 TIP3 9056 23.697 -39.302 11.207 1.00 0.00 WAT +ATOM 33478 H2 TIP3 9056 24.954 -40.095 11.469 1.00 0.00 WAT +ATOM 33479 OH2 TIP3 9057 26.345 -41.368 12.538 1.00 0.00 WAT +ATOM 33480 H1 TIP3 9057 26.156 -42.237 12.910 1.00 0.00 WAT +ATOM 33481 H2 TIP3 9057 26.170 -40.770 13.283 1.00 0.00 WAT +ATOM 33482 OH2 TIP3 9058 16.670 -39.598 11.964 1.00 0.00 WAT +ATOM 33483 H1 TIP3 9058 16.398 -40.203 11.253 1.00 0.00 WAT +ATOM 33484 H2 TIP3 9058 16.225 -39.979 12.737 1.00 0.00 WAT +ATOM 33485 OH2 TIP3 9059 21.630 -41.453 12.944 1.00 0.00 WAT +ATOM 33486 H1 TIP3 9059 21.397 -42.284 12.491 1.00 0.00 WAT +ATOM 33487 H2 TIP3 9059 20.776 -40.994 13.022 1.00 0.00 WAT +ATOM 33488 OH2 TIP3 9060 20.595 -24.655 -3.783 1.00 0.00 WAT +ATOM 33489 H1 TIP3 9060 21.521 -24.440 -3.601 1.00 0.00 WAT +ATOM 33490 H2 TIP3 9060 20.439 -24.099 -4.558 1.00 0.00 WAT +ATOM 33491 OH2 TIP3 9061 14.482 -30.217 -4.177 1.00 0.00 WAT +ATOM 33492 H1 TIP3 9061 15.437 -30.006 -4.083 1.00 0.00 WAT +ATOM 33493 H2 TIP3 9061 14.503 -30.974 -4.794 1.00 0.00 WAT +ATOM 33494 OH2 TIP3 9062 13.571 -24.958 0.522 1.00 0.00 WAT +ATOM 33495 H1 TIP3 9062 12.862 -25.274 -0.059 1.00 0.00 WAT +ATOM 33496 H2 TIP3 9062 13.599 -25.616 1.226 1.00 0.00 WAT +ATOM 33497 OH2 TIP3 9063 13.512 -27.007 2.766 1.00 0.00 WAT +ATOM 33498 H1 TIP3 9063 13.788 -27.940 2.734 1.00 0.00 WAT +ATOM 33499 H2 TIP3 9063 14.245 -26.640 3.307 1.00 0.00 WAT +ATOM 33500 OH2 TIP3 9064 31.421 -25.727 5.521 1.00 0.00 WAT +ATOM 33501 H1 TIP3 9064 31.579 -25.756 6.476 1.00 0.00 WAT +ATOM 33502 H2 TIP3 9064 32.274 -25.425 5.185 1.00 0.00 WAT +ATOM 33503 OH2 TIP3 9065 31.337 -26.278 8.395 1.00 0.00 WAT +ATOM 33504 H1 TIP3 9065 30.788 -27.000 8.034 1.00 0.00 WAT +ATOM 33505 H2 TIP3 9065 31.857 -26.773 9.046 1.00 0.00 WAT +ATOM 33506 OH2 TIP3 9066 29.314 -30.856 12.694 1.00 0.00 WAT +ATOM 33507 H1 TIP3 9066 28.423 -30.773 13.075 1.00 0.00 WAT +ATOM 33508 H2 TIP3 9066 29.756 -30.044 12.995 1.00 0.00 WAT +ATOM 33509 OH2 TIP3 9067 30.710 -31.948 -1.582 1.00 0.00 WAT +ATOM 33510 H1 TIP3 9067 31.614 -31.622 -1.416 1.00 0.00 WAT +ATOM 33511 H2 TIP3 9067 30.620 -32.583 -0.848 1.00 0.00 WAT +ATOM 33512 OH2 TIP3 9068 31.168 -33.983 0.392 1.00 0.00 WAT +ATOM 33513 H1 TIP3 9068 30.497 -34.548 0.824 1.00 0.00 WAT +ATOM 33514 H2 TIP3 9068 31.849 -33.871 1.082 1.00 0.00 WAT +ATOM 33515 OH2 TIP3 9069 30.906 -31.489 5.397 1.00 0.00 WAT +ATOM 33516 H1 TIP3 9069 31.504 -31.981 4.812 1.00 0.00 WAT +ATOM 33517 H2 TIP3 9069 31.003 -30.580 5.065 1.00 0.00 WAT +ATOM 33518 OH2 TIP3 9070 29.611 -28.573 7.623 1.00 0.00 WAT +ATOM 33519 H1 TIP3 9070 28.873 -28.163 8.109 1.00 0.00 WAT +ATOM 33520 H2 TIP3 9070 29.157 -28.921 6.829 1.00 0.00 WAT +ATOM 33521 OH2 TIP3 9071 31.427 -34.539 -3.028 1.00 0.00 WAT +ATOM 33522 H1 TIP3 9071 30.913 -34.253 -3.807 1.00 0.00 WAT +ATOM 33523 H2 TIP3 9071 31.286 -33.788 -2.430 1.00 0.00 WAT +ATOM 33524 OH2 TIP3 9072 29.706 -36.994 -4.766 1.00 0.00 WAT +ATOM 33525 H1 TIP3 9072 29.957 -36.377 -5.467 1.00 0.00 WAT +ATOM 33526 H2 TIP3 9072 29.450 -37.791 -5.266 1.00 0.00 WAT +ATOM 33527 OH2 TIP3 9073 29.118 -35.842 1.222 1.00 0.00 WAT +ATOM 33528 H1 TIP3 9073 29.030 -36.790 1.031 1.00 0.00 WAT +ATOM 33529 H2 TIP3 9073 28.718 -35.764 2.111 1.00 0.00 WAT +ATOM 33530 OH2 TIP3 9074 13.937 -33.608 4.918 1.00 0.00 WAT +ATOM 33531 H1 TIP3 9074 14.183 -33.595 3.977 1.00 0.00 WAT +ATOM 33532 H2 TIP3 9074 14.801 -33.843 5.319 1.00 0.00 WAT +ATOM 33533 OH2 TIP3 9075 29.707 -33.929 10.368 1.00 0.00 WAT +ATOM 33534 H1 TIP3 9075 30.451 -34.542 10.517 1.00 0.00 WAT +ATOM 33535 H2 TIP3 9075 30.156 -33.100 10.155 1.00 0.00 WAT +ATOM 33536 OH2 TIP3 9076 31.270 -35.839 11.577 1.00 0.00 WAT +ATOM 33537 H1 TIP3 9076 30.472 -36.358 11.339 1.00 0.00 WAT +ATOM 33538 H2 TIP3 9076 31.958 -36.529 11.553 1.00 0.00 WAT +ATOM 33539 OH2 TIP3 9077 29.117 -39.694 -5.606 1.00 0.00 WAT +ATOM 33540 H1 TIP3 9077 29.708 -40.125 -4.963 1.00 0.00 WAT +ATOM 33541 H2 TIP3 9077 28.291 -40.185 -5.498 1.00 0.00 WAT +ATOM 33542 OH2 TIP3 9078 28.935 -38.270 -0.590 1.00 0.00 WAT +ATOM 33543 H1 TIP3 9078 29.106 -39.240 -0.538 1.00 0.00 WAT +ATOM 33544 H2 TIP3 9078 29.758 -37.973 -1.016 1.00 0.00 WAT +ATOM 33545 OH2 TIP3 9079 29.192 -37.739 4.792 1.00 0.00 WAT +ATOM 33546 H1 TIP3 9079 30.168 -37.676 4.774 1.00 0.00 WAT +ATOM 33547 H2 TIP3 9079 29.047 -37.761 5.753 1.00 0.00 WAT +ATOM 33548 OH2 TIP3 9080 29.344 -37.063 7.655 1.00 0.00 WAT +ATOM 33549 H1 TIP3 9080 28.498 -36.646 7.908 1.00 0.00 WAT +ATOM 33550 H2 TIP3 9080 29.890 -36.286 7.432 1.00 0.00 WAT +ATOM 33551 OH2 TIP3 9081 13.797 -38.356 11.439 1.00 0.00 WAT +ATOM 33552 H1 TIP3 9081 14.723 -38.577 11.267 1.00 0.00 WAT +ATOM 33553 H2 TIP3 9081 13.371 -39.227 11.411 1.00 0.00 WAT +ATOM 33554 OH2 TIP3 9082 31.523 -42.750 13.432 1.00 0.00 WAT +ATOM 33555 H1 TIP3 9082 31.982 -43.562 13.193 1.00 0.00 WAT +ATOM 33556 H2 TIP3 9082 31.522 -42.182 12.628 1.00 0.00 WAT +ATOM 33557 OH2 TIP3 9083 29.232 -40.986 -0.512 1.00 0.00 WAT +ATOM 33558 H1 TIP3 9083 29.469 -41.496 0.275 1.00 0.00 WAT +ATOM 33559 H2 TIP3 9083 28.613 -41.596 -0.955 1.00 0.00 WAT +ATOM 33560 OH2 TIP3 9084 14.555 -39.899 4.118 1.00 0.00 WAT +ATOM 33561 H1 TIP3 9084 14.867 -40.826 4.226 1.00 0.00 WAT +ATOM 33562 H2 TIP3 9084 15.308 -39.400 4.486 1.00 0.00 WAT +ATOM 33563 OH2 TIP3 9085 13.160 -37.280 5.144 1.00 0.00 WAT +ATOM 33564 H1 TIP3 9085 13.747 -37.336 4.374 1.00 0.00 WAT +ATOM 33565 H2 TIP3 9085 13.550 -36.537 5.622 1.00 0.00 WAT +ATOM 33566 OH2 TIP3 9086 31.289 -41.115 11.265 1.00 0.00 WAT +ATOM 33567 H1 TIP3 9086 30.437 -40.644 11.335 1.00 0.00 WAT +ATOM 33568 H2 TIP3 9086 31.197 -41.472 10.364 1.00 0.00 WAT +ATOM 33569 OH2 TIP3 9087 31.368 -40.575 -3.916 1.00 0.00 WAT +ATOM 33570 H1 TIP3 9087 31.545 -41.431 -4.360 1.00 0.00 WAT +ATOM 33571 H2 TIP3 9087 32.238 -40.152 -3.901 1.00 0.00 WAT +ATOM 33572 OH2 TIP3 9088 13.712 -41.015 -0.800 1.00 0.00 WAT +ATOM 33573 H1 TIP3 9088 12.760 -40.938 -0.986 1.00 0.00 WAT +ATOM 33574 H2 TIP3 9088 14.099 -40.326 -1.381 1.00 0.00 WAT +ATOM 33575 OH2 TIP3 9089 28.312 -25.700 1.317 1.00 0.00 WAT +ATOM 33576 H1 TIP3 9089 28.780 -25.929 0.498 1.00 0.00 WAT +ATOM 33577 H2 TIP3 9089 29.013 -25.322 1.859 1.00 0.00 WAT +ATOM 33578 OH2 TIP3 9090 13.493 -41.275 7.730 1.00 0.00 WAT +ATOM 33579 H1 TIP3 9090 13.469 -42.217 7.986 1.00 0.00 WAT +ATOM 33580 H2 TIP3 9090 13.273 -41.327 6.789 1.00 0.00 WAT +ATOM 33581 OH2 TIP3 9091 15.697 -28.996 12.048 1.00 0.00 WAT +ATOM 33582 H1 TIP3 9091 14.978 -28.970 11.400 1.00 0.00 WAT +ATOM 33583 H2 TIP3 9091 15.224 -28.974 12.890 1.00 0.00 WAT +ATOM 33584 OH2 TIP3 9092 18.533 -27.974 7.717 1.00 0.00 WAT +ATOM 33585 H1 TIP3 9092 18.230 -27.122 7.356 1.00 0.00 WAT +ATOM 33586 H2 TIP3 9092 19.492 -27.889 7.540 1.00 0.00 WAT +ATOM 33587 OH2 TIP3 9093 23.057 -26.691 10.726 1.00 0.00 WAT +ATOM 33588 H1 TIP3 9093 23.197 -26.837 11.675 1.00 0.00 WAT +ATOM 33589 H2 TIP3 9093 23.878 -26.224 10.472 1.00 0.00 WAT +ATOM 33590 OH2 TIP3 9094 25.345 -25.212 9.966 1.00 0.00 WAT +ATOM 33591 H1 TIP3 9094 26.021 -25.868 9.740 1.00 0.00 WAT +ATOM 33592 H2 TIP3 9094 25.643 -24.919 10.847 1.00 0.00 WAT +ATOM 33593 OH2 TIP3 9095 29.927 -42.763 9.173 1.00 0.00 WAT +ATOM 33594 H1 TIP3 9095 29.417 -42.145 8.619 1.00 0.00 WAT +ATOM 33595 H2 TIP3 9095 30.128 -43.441 8.508 1.00 0.00 WAT +ATOM 33596 OH2 TIP3 9096 15.884 -25.059 8.018 1.00 0.00 WAT +ATOM 33597 H1 TIP3 9096 15.307 -24.416 7.567 1.00 0.00 WAT +ATOM 33598 H2 TIP3 9096 15.585 -24.946 8.929 1.00 0.00 WAT +ATOM 33599 OH2 TIP3 9097 18.396 -25.250 6.573 1.00 0.00 WAT +ATOM 33600 H1 TIP3 9097 17.561 -25.028 7.028 1.00 0.00 WAT +ATOM 33601 H2 TIP3 9097 18.433 -24.565 5.878 1.00 0.00 WAT +ATOM 33602 OH2 TIP3 9098 23.159 -25.264 6.161 1.00 0.00 WAT +ATOM 33603 H1 TIP3 9098 22.771 -24.844 5.365 1.00 0.00 WAT +ATOM 33604 H2 TIP3 9098 23.233 -24.494 6.753 1.00 0.00 WAT +ATOM 33605 OH2 TIP3 9099 25.484 -26.537 7.091 1.00 0.00 WAT +ATOM 33606 H1 TIP3 9099 24.636 -26.194 6.747 1.00 0.00 WAT +ATOM 33607 H2 TIP3 9099 26.035 -25.744 7.043 1.00 0.00 WAT +ATOM 33608 OH2 TIP3 9100 28.061 -24.807 7.276 1.00 0.00 WAT +ATOM 33609 H1 TIP3 9100 27.956 -23.865 7.042 1.00 0.00 WAT +ATOM 33610 H2 TIP3 9100 28.288 -25.179 6.406 1.00 0.00 WAT +ATOM 33611 OH2 TIP3 9101 15.207 -26.282 4.942 1.00 0.00 WAT +ATOM 33612 H1 TIP3 9101 15.252 -26.580 5.874 1.00 0.00 WAT +ATOM 33613 H2 TIP3 9101 16.099 -26.530 4.633 1.00 0.00 WAT +ATOM 33614 OH2 TIP3 9102 17.415 -27.417 3.497 1.00 0.00 WAT +ATOM 33615 H1 TIP3 9102 17.331 -28.359 3.745 1.00 0.00 WAT +ATOM 33616 H2 TIP3 9102 18.342 -27.230 3.744 1.00 0.00 WAT +ATOM 33617 OH2 TIP3 9103 20.231 -27.021 4.310 1.00 0.00 WAT +ATOM 33618 H1 TIP3 9103 20.440 -27.944 4.090 1.00 0.00 WAT +ATOM 33619 H2 TIP3 9103 20.317 -27.037 5.274 1.00 0.00 WAT +ATOM 33620 OH2 TIP3 9104 23.571 -41.123 3.619 1.00 0.00 WAT +ATOM 33621 H1 TIP3 9104 22.943 -41.822 3.888 1.00 0.00 WAT +ATOM 33622 H2 TIP3 9104 24.160 -41.605 3.019 1.00 0.00 WAT +ATOM 33623 OH2 TIP3 9105 28.851 -43.297 4.071 1.00 0.00 WAT +ATOM 33624 H1 TIP3 9105 29.448 -42.894 3.417 1.00 0.00 WAT +ATOM 33625 H2 TIP3 9105 27.979 -43.053 3.735 1.00 0.00 WAT +ATOM 33626 OH2 TIP3 9106 30.804 -42.246 1.889 1.00 0.00 WAT +ATOM 33627 H1 TIP3 9106 31.358 -42.460 1.132 1.00 0.00 WAT +ATOM 33628 H2 TIP3 9106 30.988 -41.297 2.014 1.00 0.00 WAT +ATOM 33629 OH2 TIP3 9107 15.933 -42.838 0.907 1.00 0.00 WAT +ATOM 33630 H1 TIP3 9107 15.007 -43.039 0.727 1.00 0.00 WAT +ATOM 33631 H2 TIP3 9107 16.258 -43.653 1.299 1.00 0.00 WAT +ATOM 33632 OH2 TIP3 9108 14.498 -42.911 -2.820 1.00 0.00 WAT +ATOM 33633 H1 TIP3 9108 14.964 -42.437 -3.537 1.00 0.00 WAT +ATOM 33634 H2 TIP3 9108 14.141 -42.166 -2.306 1.00 0.00 WAT +ATOM 33635 OH2 TIP3 9109 20.408 -42.265 1.212 1.00 0.00 WAT +ATOM 33636 H1 TIP3 9109 21.345 -42.347 0.981 1.00 0.00 WAT +ATOM 33637 H2 TIP3 9109 20.292 -42.934 1.890 1.00 0.00 WAT +ATOM 33638 OH2 TIP3 9110 25.993 -42.652 2.565 1.00 0.00 WAT +ATOM 33639 H1 TIP3 9110 26.305 -42.616 1.652 1.00 0.00 WAT +ATOM 33640 H2 TIP3 9110 25.833 -43.594 2.713 1.00 0.00 WAT +ATOM 33641 OH2 TIP3 9111 27.076 -42.721 -1.471 1.00 0.00 WAT +ATOM 33642 H1 TIP3 9111 26.324 -42.129 -1.675 1.00 0.00 WAT +ATOM 33643 H2 TIP3 9111 26.677 -43.599 -1.511 1.00 0.00 WAT +ATOM 33644 OH2 TIP3 9112 14.777 -26.967 -1.800 1.00 0.00 WAT +ATOM 33645 H1 TIP3 9112 14.207 -26.998 -2.583 1.00 0.00 WAT +ATOM 33646 H2 TIP3 9112 14.926 -26.012 -1.733 1.00 0.00 WAT +ATOM 33647 OH2 TIP3 9113 16.423 -41.276 -4.389 1.00 0.00 WAT +ATOM 33648 H1 TIP3 9113 17.132 -41.599 -4.972 1.00 0.00 WAT +ATOM 33649 H2 TIP3 9113 16.941 -40.740 -3.760 1.00 0.00 WAT +ATOM 33650 OH2 TIP3 9114 21.661 -40.605 -2.106 1.00 0.00 WAT +ATOM 33651 H1 TIP3 9114 21.729 -41.435 -1.593 1.00 0.00 WAT +ATOM 33652 H2 TIP3 9114 21.849 -39.914 -1.442 1.00 0.00 WAT +ATOM 33653 OH2 TIP3 9115 23.621 -25.148 -3.649 1.00 0.00 WAT +ATOM 33654 H1 TIP3 9115 24.592 -25.113 -3.710 1.00 0.00 WAT +ATOM 33655 H2 TIP3 9115 23.416 -25.784 -4.353 1.00 0.00 WAT +ATOM 33656 OH2 TIP3 9116 30.154 -26.103 -1.080 1.00 0.00 WAT +ATOM 33657 H1 TIP3 9116 29.893 -26.944 -1.509 1.00 0.00 WAT +ATOM 33658 H2 TIP3 9116 30.043 -25.476 -1.816 1.00 0.00 WAT +ATOM 33659 OH2 TIP3 9117 15.549 -41.786 10.392 1.00 0.00 WAT +ATOM 33660 H1 TIP3 9117 15.102 -42.580 10.719 1.00 0.00 WAT +ATOM 33661 H2 TIP3 9117 16.437 -42.155 10.272 1.00 0.00 WAT +ATOM 33662 OH2 TIP3 9118 18.484 -42.782 13.037 1.00 0.00 WAT +ATOM 33663 H1 TIP3 9118 19.352 -43.049 12.661 1.00 0.00 WAT +ATOM 33664 H2 TIP3 9118 18.250 -43.563 13.550 1.00 0.00 WAT +ATOM 33665 OH2 TIP3 9119 16.345 -26.075 -4.973 1.00 0.00 WAT +ATOM 33666 H1 TIP3 9119 16.171 -25.688 -4.102 1.00 0.00 WAT +ATOM 33667 H2 TIP3 9119 17.183 -26.549 -4.835 1.00 0.00 WAT +ATOM 33668 OH2 TIP3 9120 29.626 -27.338 11.302 1.00 0.00 WAT +ATOM 33669 H1 TIP3 9120 28.895 -27.543 10.690 1.00 0.00 WAT +ATOM 33670 H2 TIP3 9120 29.430 -26.404 11.506 1.00 0.00 WAT +ATOM 33671 OH2 TIP3 9121 42.114 -34.555 4.593 1.00 0.00 WAT +ATOM 33672 H1 TIP3 9121 42.915 -34.296 5.086 1.00 0.00 WAT +ATOM 33673 H2 TIP3 9121 42.445 -34.624 3.690 1.00 0.00 WAT +ATOM 33674 OH2 TIP3 9122 35.145 -34.638 6.182 1.00 0.00 WAT +ATOM 33675 H1 TIP3 9122 35.134 -35.386 6.807 1.00 0.00 WAT +ATOM 33676 H2 TIP3 9122 35.866 -34.103 6.544 1.00 0.00 WAT +ATOM 33677 OH2 TIP3 9123 35.811 -29.997 4.688 1.00 0.00 WAT +ATOM 33678 H1 TIP3 9123 35.565 -30.911 4.428 1.00 0.00 WAT +ATOM 33679 H2 TIP3 9123 36.744 -30.138 4.906 1.00 0.00 WAT +ATOM 33680 OH2 TIP3 9124 32.795 -36.613 0.071 1.00 0.00 WAT +ATOM 33681 H1 TIP3 9124 32.404 -35.728 0.155 1.00 0.00 WAT +ATOM 33682 H2 TIP3 9124 32.067 -37.102 -0.332 1.00 0.00 WAT +ATOM 33683 OH2 TIP3 9125 33.614 -34.134 1.930 1.00 0.00 WAT +ATOM 33684 H1 TIP3 9125 33.754 -34.973 2.411 1.00 0.00 WAT +ATOM 33685 H2 TIP3 9125 34.445 -34.047 1.446 1.00 0.00 WAT +ATOM 33686 OH2 TIP3 9126 41.196 -31.707 5.181 1.00 0.00 WAT +ATOM 33687 H1 TIP3 9126 41.445 -32.461 4.620 1.00 0.00 WAT +ATOM 33688 H2 TIP3 9126 42.035 -31.512 5.616 1.00 0.00 WAT +ATOM 33689 OH2 TIP3 9127 37.422 -39.414 2.690 1.00 0.00 WAT +ATOM 33690 H1 TIP3 9127 37.585 -38.558 2.246 1.00 0.00 WAT +ATOM 33691 H2 TIP3 9127 37.081 -39.934 1.937 1.00 0.00 WAT +ATOM 33692 OH2 TIP3 9128 34.122 -36.622 3.164 1.00 0.00 WAT +ATOM 33693 H1 TIP3 9128 34.727 -37.112 3.742 1.00 0.00 WAT +ATOM 33694 H2 TIP3 9128 34.197 -37.123 2.333 1.00 0.00 WAT +ATOM 33695 OH2 TIP3 9129 39.513 -35.284 2.652 1.00 0.00 WAT +ATOM 33696 H1 TIP3 9129 40.269 -35.807 2.992 1.00 0.00 WAT +ATOM 33697 H2 TIP3 9129 39.024 -35.975 2.171 1.00 0.00 WAT +ATOM 33698 OH2 TIP3 9130 36.222 -40.563 6.846 1.00 0.00 WAT +ATOM 33699 H1 TIP3 9130 35.890 -40.010 6.119 1.00 0.00 WAT +ATOM 33700 H2 TIP3 9130 35.552 -40.362 7.531 1.00 0.00 WAT +ATOM 33701 OH2 TIP3 9131 39.158 -32.756 6.973 1.00 0.00 WAT +ATOM 33702 H1 TIP3 9131 38.428 -32.150 7.218 1.00 0.00 WAT +ATOM 33703 H2 TIP3 9131 39.808 -32.148 6.579 1.00 0.00 WAT +ATOM 33704 OH2 TIP3 9132 35.839 -38.560 4.781 1.00 0.00 WAT +ATOM 33705 H1 TIP3 9132 36.472 -37.949 5.215 1.00 0.00 WAT +ATOM 33706 H2 TIP3 9132 36.403 -38.902 4.052 1.00 0.00 WAT +ATOM 33707 OH2 TIP3 9133 37.154 -30.834 7.686 1.00 0.00 WAT +ATOM 33708 H1 TIP3 9133 37.123 -29.915 7.364 1.00 0.00 WAT +ATOM 33709 H2 TIP3 9133 36.282 -30.891 8.119 1.00 0.00 WAT +ATOM 33710 OH2 TIP3 9134 33.477 -31.118 -1.442 1.00 0.00 WAT +ATOM 33711 H1 TIP3 9134 33.269 -30.629 -2.258 1.00 0.00 WAT +ATOM 33712 H2 TIP3 9134 33.630 -30.410 -0.784 1.00 0.00 WAT +ATOM 33713 OH2 TIP3 9135 40.476 43.796 4.106 1.00 0.00 WAT +ATOM 33714 H1 TIP3 9135 40.421 42.834 4.180 1.00 0.00 WAT +ATOM 33715 H2 TIP3 9135 39.596 44.111 4.390 1.00 0.00 WAT +ATOM 33716 OH2 TIP3 9136 42.666 -34.285 -1.426 1.00 0.00 WAT +ATOM 33717 H1 TIP3 9136 41.977 -33.599 -1.523 1.00 0.00 WAT +ATOM 33718 H2 TIP3 9136 43.300 -34.000 -2.083 1.00 0.00 WAT +ATOM 33719 OH2 TIP3 9137 42.905 -35.789 -4.239 1.00 0.00 WAT +ATOM 33720 H1 TIP3 9137 43.667 -35.842 -3.642 1.00 0.00 WAT +ATOM 33721 H2 TIP3 9137 42.935 -36.623 -4.717 1.00 0.00 WAT +ATOM 33722 OH2 TIP3 9138 37.589 -33.388 1.560 1.00 0.00 WAT +ATOM 33723 H1 TIP3 9138 37.278 -33.823 0.743 1.00 0.00 WAT +ATOM 33724 H2 TIP3 9138 38.232 -34.036 1.901 1.00 0.00 WAT +ATOM 33725 OH2 TIP3 9139 38.983 -29.984 4.309 1.00 0.00 WAT +ATOM 33726 H1 TIP3 9139 38.875 -30.395 3.440 1.00 0.00 WAT +ATOM 33727 H2 TIP3 9139 39.770 -30.450 4.651 1.00 0.00 WAT +ATOM 33728 OH2 TIP3 9140 38.156 -34.568 5.040 1.00 0.00 WAT +ATOM 33729 H1 TIP3 9140 38.755 -34.587 4.267 1.00 0.00 WAT +ATOM 33730 H2 TIP3 9140 38.584 -33.912 5.623 1.00 0.00 WAT +ATOM 33731 OH2 TIP3 9141 39.039 -30.208 9.860 1.00 0.00 WAT +ATOM 33732 H1 TIP3 9141 38.510 -29.566 10.363 1.00 0.00 WAT +ATOM 33733 H2 TIP3 9141 38.402 -30.496 9.180 1.00 0.00 WAT +ATOM 33734 OH2 TIP3 9142 35.950 -33.865 9.009 1.00 0.00 WAT +ATOM 33735 H1 TIP3 9142 35.992 -33.276 9.783 1.00 0.00 WAT +ATOM 33736 H2 TIP3 9142 34.989 -33.982 8.909 1.00 0.00 WAT +ATOM 33737 OH2 TIP3 9143 42.501 -28.146 0.750 1.00 0.00 WAT +ATOM 33738 H1 TIP3 9143 42.988 -27.648 1.428 1.00 0.00 WAT +ATOM 33739 H2 TIP3 9143 41.991 -27.451 0.315 1.00 0.00 WAT +ATOM 33740 OH2 TIP3 9144 37.096 -28.023 10.709 1.00 0.00 WAT +ATOM 33741 H1 TIP3 9144 37.000 -28.034 9.740 1.00 0.00 WAT +ATOM 33742 H2 TIP3 9144 36.224 -28.334 11.019 1.00 0.00 WAT +ATOM 33743 OH2 TIP3 9145 36.496 -34.629 -0.908 1.00 0.00 WAT +ATOM 33744 H1 TIP3 9145 36.296 -33.867 -1.479 1.00 0.00 WAT +ATOM 33745 H2 TIP3 9145 35.832 -35.270 -1.193 1.00 0.00 WAT +ATOM 33746 OH2 TIP3 9146 32.572 -31.958 7.815 1.00 0.00 WAT +ATOM 33747 H1 TIP3 9146 32.116 -31.956 6.949 1.00 0.00 WAT +ATOM 33748 H2 TIP3 9146 32.687 -32.913 7.977 1.00 0.00 WAT +ATOM 33749 OH2 TIP3 9147 32.624 -29.012 4.730 1.00 0.00 WAT +ATOM 33750 H1 TIP3 9147 33.538 -29.327 4.797 1.00 0.00 WAT +ATOM 33751 H2 TIP3 9147 32.557 -28.438 5.506 1.00 0.00 WAT +ATOM 33752 OH2 TIP3 9148 41.723 -29.204 9.364 1.00 0.00 WAT +ATOM 33753 H1 TIP3 9148 41.791 -28.325 9.760 1.00 0.00 WAT +ATOM 33754 H2 TIP3 9148 40.816 -29.487 9.586 1.00 0.00 WAT +ATOM 33755 OH2 TIP3 9149 41.779 -25.342 -0.727 1.00 0.00 WAT +ATOM 33756 H1 TIP3 9149 42.044 -25.382 -1.657 1.00 0.00 WAT +ATOM 33757 H2 TIP3 9149 42.114 -24.490 -0.425 1.00 0.00 WAT +ATOM 33758 OH2 TIP3 9150 35.740 -26.223 0.923 1.00 0.00 WAT +ATOM 33759 H1 TIP3 9150 35.869 -26.702 1.767 1.00 0.00 WAT +ATOM 33760 H2 TIP3 9150 34.926 -26.636 0.597 1.00 0.00 WAT +ATOM 33761 OH2 TIP3 9151 34.738 -30.398 9.068 1.00 0.00 WAT +ATOM 33762 H1 TIP3 9151 35.023 -30.885 9.869 1.00 0.00 WAT +ATOM 33763 H2 TIP3 9151 34.013 -30.950 8.722 1.00 0.00 WAT +ATOM 33764 OH2 TIP3 9152 37.978 -42.214 4.991 1.00 0.00 WAT +ATOM 33765 H1 TIP3 9152 37.162 -42.470 4.537 1.00 0.00 WAT +ATOM 33766 H2 TIP3 9152 37.710 -41.373 5.394 1.00 0.00 WAT +ATOM 33767 OH2 TIP3 9153 42.261 -43.057 8.592 1.00 0.00 WAT +ATOM 33768 H1 TIP3 9153 42.558 -43.150 9.501 1.00 0.00 WAT +ATOM 33769 H2 TIP3 9153 41.333 -42.800 8.696 1.00 0.00 WAT +ATOM 33770 OH2 TIP3 9154 42.252 -39.879 -4.277 1.00 0.00 WAT +ATOM 33771 H1 TIP3 9154 41.642 -40.000 -3.528 1.00 0.00 WAT +ATOM 33772 H2 TIP3 9154 41.855 -40.521 -4.900 1.00 0.00 WAT +ATOM 33773 OH2 TIP3 9155 37.790 -37.143 6.240 1.00 0.00 WAT +ATOM 33774 H1 TIP3 9155 37.170 -37.026 6.979 1.00 0.00 WAT +ATOM 33775 H2 TIP3 9155 37.868 -36.236 5.875 1.00 0.00 WAT +ATOM 33776 OH2 TIP3 9156 37.742 -37.098 1.132 1.00 0.00 WAT +ATOM 33777 H1 TIP3 9156 36.786 -37.178 0.964 1.00 0.00 WAT +ATOM 33778 H2 TIP3 9156 38.096 -37.256 0.235 1.00 0.00 WAT +ATOM 33779 OH2 TIP3 9157 42.784 -36.708 0.615 1.00 0.00 WAT +ATOM 33780 H1 TIP3 9157 42.803 -35.753 0.452 1.00 0.00 WAT +ATOM 33781 H2 TIP3 9157 43.714 -36.952 0.715 1.00 0.00 WAT +ATOM 33782 OH2 TIP3 9158 42.498 -36.262 11.438 1.00 0.00 WAT +ATOM 33783 H1 TIP3 9158 41.930 -37.055 11.557 1.00 0.00 WAT +ATOM 33784 H2 TIP3 9158 43.371 -36.703 11.466 1.00 0.00 WAT +ATOM 33785 OH2 TIP3 9159 35.197 -36.967 8.059 1.00 0.00 WAT +ATOM 33786 H1 TIP3 9159 35.422 -36.684 8.952 1.00 0.00 WAT +ATOM 33787 H2 TIP3 9159 34.783 -37.836 8.235 1.00 0.00 WAT +ATOM 33788 OH2 TIP3 9160 38.591 -39.363 -5.341 1.00 0.00 WAT +ATOM 33789 H1 TIP3 9160 38.222 -39.767 -4.536 1.00 0.00 WAT +ATOM 33790 H2 TIP3 9160 37.817 -39.261 -5.908 1.00 0.00 WAT +ATOM 33791 OH2 TIP3 9161 31.970 -39.554 1.702 1.00 0.00 WAT +ATOM 33792 H1 TIP3 9161 32.543 -39.560 2.494 1.00 0.00 WAT +ATOM 33793 H2 TIP3 9161 32.526 -39.941 1.014 1.00 0.00 WAT +ATOM 33794 OH2 TIP3 9162 33.570 -39.108 -2.575 1.00 0.00 WAT +ATOM 33795 H1 TIP3 9162 34.109 -38.604 -3.215 1.00 0.00 WAT +ATOM 33796 H2 TIP3 9162 32.856 -38.466 -2.397 1.00 0.00 WAT +ATOM 33797 OH2 TIP3 9163 43.508 -35.722 7.485 1.00 0.00 WAT +ATOM 33798 H1 TIP3 9163 43.802 -36.382 6.822 1.00 0.00 WAT +ATOM 33799 H2 TIP3 9163 42.721 -36.159 7.831 1.00 0.00 WAT +ATOM 33800 OH2 TIP3 9164 40.501 -39.700 2.089 1.00 0.00 WAT +ATOM 33801 H1 TIP3 9164 39.572 -39.628 2.359 1.00 0.00 WAT +ATOM 33802 H2 TIP3 9164 40.946 -39.552 2.940 1.00 0.00 WAT +ATOM 33803 OH2 TIP3 9165 35.086 -38.265 0.818 1.00 0.00 WAT +ATOM 33804 H1 TIP3 9165 34.272 -37.989 0.360 1.00 0.00 WAT +ATOM 33805 H2 TIP3 9165 35.350 -39.080 0.351 1.00 0.00 WAT +ATOM 33806 OH2 TIP3 9166 38.693 -37.909 -1.488 1.00 0.00 WAT +ATOM 33807 H1 TIP3 9166 39.661 -37.838 -1.451 1.00 0.00 WAT +ATOM 33808 H2 TIP3 9166 38.444 -37.316 -2.218 1.00 0.00 WAT +ATOM 33809 OH2 TIP3 9167 37.222 -36.701 -3.740 1.00 0.00 WAT +ATOM 33810 H1 TIP3 9167 36.616 -36.943 -4.457 1.00 0.00 WAT +ATOM 33811 H2 TIP3 9167 38.041 -36.543 -4.237 1.00 0.00 WAT +ATOM 33812 OH2 TIP3 9168 35.822 -31.933 11.244 1.00 0.00 WAT +ATOM 33813 H1 TIP3 9168 36.499 -31.864 11.949 1.00 0.00 WAT +ATOM 33814 H2 TIP3 9168 35.017 -31.973 11.797 1.00 0.00 WAT +ATOM 33815 OH2 TIP3 9169 41.385 -37.340 3.565 1.00 0.00 WAT +ATOM 33816 H1 TIP3 9169 42.164 -37.654 3.090 1.00 0.00 WAT +ATOM 33817 H2 TIP3 9169 41.649 -37.463 4.492 1.00 0.00 WAT +ATOM 33818 OH2 TIP3 9170 36.674 -40.664 0.202 1.00 0.00 WAT +ATOM 33819 H1 TIP3 9170 36.209 -41.513 0.314 1.00 0.00 WAT +ATOM 33820 H2 TIP3 9170 37.511 -40.942 -0.196 1.00 0.00 WAT +ATOM 33821 OH2 TIP3 9171 40.489 -38.585 6.277 1.00 0.00 WAT +ATOM 33822 H1 TIP3 9171 39.795 -37.929 6.094 1.00 0.00 WAT +ATOM 33823 H2 TIP3 9171 40.996 -38.147 6.979 1.00 0.00 WAT +ATOM 33824 OH2 TIP3 9172 40.730 -32.253 -1.846 1.00 0.00 WAT +ATOM 33825 H1 TIP3 9172 39.943 -32.705 -2.216 1.00 0.00 WAT +ATOM 33826 H2 TIP3 9172 40.489 -32.143 -0.897 1.00 0.00 WAT +ATOM 33827 OH2 TIP3 9173 42.046 -32.239 9.382 1.00 0.00 WAT +ATOM 33828 H1 TIP3 9173 41.842 -32.338 10.315 1.00 0.00 WAT +ATOM 33829 H2 TIP3 9173 42.137 -31.279 9.268 1.00 0.00 WAT +ATOM 33830 OH2 TIP3 9174 35.797 -32.697 3.933 1.00 0.00 WAT +ATOM 33831 H1 TIP3 9174 36.347 -32.812 3.140 1.00 0.00 WAT +ATOM 33832 H2 TIP3 9174 35.889 -33.561 4.365 1.00 0.00 WAT +ATOM 33833 OH2 TIP3 9175 42.865 -30.820 -2.890 1.00 0.00 WAT +ATOM 33834 H1 TIP3 9175 42.598 -29.928 -2.587 1.00 0.00 WAT +ATOM 33835 H2 TIP3 9175 42.108 -31.350 -2.560 1.00 0.00 WAT +ATOM 33836 OH2 TIP3 9176 33.032 -34.429 9.201 1.00 0.00 WAT +ATOM 33837 H1 TIP3 9176 33.193 -34.888 10.048 1.00 0.00 WAT +ATOM 33838 H2 TIP3 9176 32.442 -35.042 8.731 1.00 0.00 WAT +ATOM 33839 OH2 TIP3 9177 40.018 -34.923 11.215 1.00 0.00 WAT +ATOM 33840 H1 TIP3 9177 39.655 -35.234 10.367 1.00 0.00 WAT +ATOM 33841 H2 TIP3 9177 40.955 -35.176 11.122 1.00 0.00 WAT +ATOM 33842 OH2 TIP3 9178 38.147 -29.420 1.190 1.00 0.00 WAT +ATOM 33843 H1 TIP3 9178 38.575 -28.559 1.059 1.00 0.00 WAT +ATOM 33844 H2 TIP3 9178 37.233 -29.229 0.944 1.00 0.00 WAT +ATOM 33845 OH2 TIP3 9179 34.155 -34.629 -4.196 1.00 0.00 WAT +ATOM 33846 H1 TIP3 9179 34.725 -33.941 -3.808 1.00 0.00 WAT +ATOM 33847 H2 TIP3 9179 33.276 -34.350 -3.877 1.00 0.00 WAT +ATOM 33848 OH2 TIP3 9180 39.948 -31.738 0.786 1.00 0.00 WAT +ATOM 33849 H1 TIP3 9180 39.676 -30.821 0.952 1.00 0.00 WAT +ATOM 33850 H2 TIP3 9180 39.236 -32.230 1.223 1.00 0.00 WAT +ATOM 33851 OH2 TIP3 9181 40.196 -27.426 7.209 1.00 0.00 WAT +ATOM 33852 H1 TIP3 9181 40.791 -26.727 6.862 1.00 0.00 WAT +ATOM 33853 H2 TIP3 9181 40.830 -27.977 7.691 1.00 0.00 WAT +ATOM 33854 OH2 TIP3 9182 38.591 -26.519 0.405 1.00 0.00 WAT +ATOM 33855 H1 TIP3 9182 37.635 -26.368 0.490 1.00 0.00 WAT +ATOM 33856 H2 TIP3 9182 38.954 -25.644 0.630 1.00 0.00 WAT +ATOM 33857 OH2 TIP3 9183 34.374 -39.610 8.786 1.00 0.00 WAT +ATOM 33858 H1 TIP3 9183 33.461 -39.425 8.472 1.00 0.00 WAT +ATOM 33859 H2 TIP3 9183 34.216 -40.474 9.224 1.00 0.00 WAT +ATOM 33860 OH2 TIP3 9184 34.142 -28.016 7.209 1.00 0.00 WAT +ATOM 33861 H1 TIP3 9184 34.404 -28.938 7.346 1.00 0.00 WAT +ATOM 33862 H2 TIP3 9184 34.350 -27.648 8.076 1.00 0.00 WAT +ATOM 33863 OH2 TIP3 9185 39.945 -29.332 -5.768 1.00 0.00 WAT +ATOM 33864 H1 TIP3 9185 40.297 -30.097 -6.261 1.00 0.00 WAT +ATOM 33865 H2 TIP3 9185 39.566 -29.773 -4.988 1.00 0.00 WAT +ATOM 33866 OH2 TIP3 9186 38.871 -29.898 -3.027 1.00 0.00 WAT +ATOM 33867 H1 TIP3 9186 39.339 -30.401 -2.347 1.00 0.00 WAT +ATOM 33868 H2 TIP3 9186 38.988 -28.976 -2.720 1.00 0.00 WAT +ATOM 33869 OH2 TIP3 9187 35.668 -32.412 -2.660 1.00 0.00 WAT +ATOM 33870 H1 TIP3 9187 34.930 -32.029 -2.144 1.00 0.00 WAT +ATOM 33871 H2 TIP3 9187 36.123 -31.604 -2.952 1.00 0.00 WAT +ATOM 33872 OH2 TIP3 9188 43.296 -39.286 7.937 1.00 0.00 WAT +ATOM 33873 H1 TIP3 9188 43.912 -40.034 7.820 1.00 0.00 WAT +ATOM 33874 H2 TIP3 9188 42.694 -39.540 7.220 1.00 0.00 WAT +ATOM 33875 OH2 TIP3 9189 41.693 -28.224 -2.487 1.00 0.00 WAT +ATOM 33876 H1 TIP3 9189 40.878 -27.728 -2.293 1.00 0.00 WAT +ATOM 33877 H2 TIP3 9189 42.092 -27.686 -3.178 1.00 0.00 WAT +ATOM 33878 OH2 TIP3 9190 41.331 -38.675 -0.424 1.00 0.00 WAT +ATOM 33879 H1 TIP3 9190 41.948 -37.959 -0.145 1.00 0.00 WAT +ATOM 33880 H2 TIP3 9190 40.973 -38.887 0.460 1.00 0.00 WAT +ATOM 33881 OH2 TIP3 9191 41.474 -37.628 8.910 1.00 0.00 WAT +ATOM 33882 H1 TIP3 9191 41.840 -37.019 9.562 1.00 0.00 WAT +ATOM 33883 H2 TIP3 9191 42.208 -38.262 8.764 1.00 0.00 WAT +ATOM 33884 OH2 TIP3 9192 42.031 -41.709 0.880 1.00 0.00 WAT +ATOM 33885 H1 TIP3 9192 41.704 -40.844 1.206 1.00 0.00 WAT +ATOM 33886 H2 TIP3 9192 42.695 -41.461 0.211 1.00 0.00 WAT +ATOM 33887 OH2 TIP3 9193 38.951 -27.173 -2.440 1.00 0.00 WAT +ATOM 33888 H1 TIP3 9193 38.895 -26.360 -2.982 1.00 0.00 WAT +ATOM 33889 H2 TIP3 9193 38.817 -26.824 -1.538 1.00 0.00 WAT +ATOM 33890 OH2 TIP3 9194 37.661 -40.496 -2.922 1.00 0.00 WAT +ATOM 33891 H1 TIP3 9194 37.666 -39.677 -2.396 1.00 0.00 WAT +ATOM 33892 H2 TIP3 9194 38.552 -40.838 -2.719 1.00 0.00 WAT +ATOM 33893 OH2 TIP3 9195 36.113 -29.605 -3.885 1.00 0.00 WAT +ATOM 33894 H1 TIP3 9195 36.851 -29.111 -3.491 1.00 0.00 WAT +ATOM 33895 H2 TIP3 9195 36.595 -30.102 -4.565 1.00 0.00 WAT +ATOM 33896 OH2 TIP3 9196 34.242 -37.435 -4.791 1.00 0.00 WAT +ATOM 33897 H1 TIP3 9196 34.356 -36.493 -4.560 1.00 0.00 WAT +ATOM 33898 H2 TIP3 9196 33.368 -37.432 -5.201 1.00 0.00 WAT +ATOM 33899 OH2 TIP3 9197 34.351 -42.423 4.173 1.00 0.00 WAT +ATOM 33900 H1 TIP3 9197 34.759 -42.434 3.297 1.00 0.00 WAT +ATOM 33901 H2 TIP3 9197 34.571 -43.324 4.456 1.00 0.00 WAT +ATOM 33902 OH2 TIP3 9198 34.066 -28.880 0.291 1.00 0.00 WAT +ATOM 33903 H1 TIP3 9198 33.271 -28.381 0.524 1.00 0.00 WAT +ATOM 33904 H2 TIP3 9198 34.411 -28.361 -0.452 1.00 0.00 WAT +ATOM 33905 OH2 TIP3 9199 33.464 -25.968 11.398 1.00 0.00 WAT +ATOM 33906 H1 TIP3 9199 34.040 -26.252 12.133 1.00 0.00 WAT +ATOM 33907 H2 TIP3 9199 33.071 -26.821 11.125 1.00 0.00 WAT +ATOM 33908 OH2 TIP3 9200 38.183 -26.887 13.192 1.00 0.00 WAT +ATOM 33909 H1 TIP3 9200 38.820 -27.583 13.421 1.00 0.00 WAT +ATOM 33910 H2 TIP3 9200 37.899 -27.183 12.311 1.00 0.00 WAT +ATOM 33911 OH2 TIP3 9201 42.301 -27.684 -5.442 1.00 0.00 WAT +ATOM 33912 H1 TIP3 9201 41.470 -28.203 -5.451 1.00 0.00 WAT +ATOM 33913 H2 TIP3 9201 42.937 -28.407 -5.586 1.00 0.00 WAT +ATOM 33914 OH2 TIP3 9202 33.414 -32.351 12.543 1.00 0.00 WAT +ATOM 33915 H1 TIP3 9202 33.501 -33.258 12.206 1.00 0.00 WAT +ATOM 33916 H2 TIP3 9202 32.640 -32.044 12.032 1.00 0.00 WAT +ATOM 33917 OH2 TIP3 9203 37.626 -31.919 -5.431 1.00 0.00 WAT +ATOM 33918 H1 TIP3 9203 37.785 -32.515 -4.680 1.00 0.00 WAT +ATOM 33919 H2 TIP3 9203 38.483 -31.962 -5.889 1.00 0.00 WAT +ATOM 33920 OH2 TIP3 9204 40.072 -32.138 11.870 1.00 0.00 WAT +ATOM 33921 H1 TIP3 9204 39.790 -31.824 10.994 1.00 0.00 WAT +ATOM 33922 H2 TIP3 9204 40.154 -33.105 11.735 1.00 0.00 WAT +ATOM 33923 OH2 TIP3 9205 42.615 -30.601 -5.891 1.00 0.00 WAT +ATOM 33924 H1 TIP3 9205 42.780 -30.499 -4.937 1.00 0.00 WAT +ATOM 33925 H2 TIP3 9205 42.423 -31.553 -5.946 1.00 0.00 WAT +ATOM 33926 OH2 TIP3 9206 34.279 -35.222 11.717 1.00 0.00 WAT +ATOM 33927 H1 TIP3 9206 35.019 -35.853 11.730 1.00 0.00 WAT +ATOM 33928 H2 TIP3 9206 34.217 -35.001 12.661 1.00 0.00 WAT +ATOM 33929 OH2 TIP3 9207 38.706 -33.865 -3.123 1.00 0.00 WAT +ATOM 33930 H1 TIP3 9207 38.085 -34.357 -2.566 1.00 0.00 WAT +ATOM 33931 H2 TIP3 9207 39.017 -34.565 -3.730 1.00 0.00 WAT +ATOM 33932 OH2 TIP3 9208 37.968 -36.041 9.196 1.00 0.00 WAT +ATOM 33933 H1 TIP3 9208 37.391 -35.268 9.340 1.00 0.00 WAT +ATOM 33934 H2 TIP3 9208 38.524 -35.737 8.461 1.00 0.00 WAT +ATOM 33935 OH2 TIP3 9209 39.786 -35.850 -4.811 1.00 0.00 WAT +ATOM 33936 H1 TIP3 9209 39.687 -35.794 -5.778 1.00 0.00 WAT +ATOM 33937 H2 TIP3 9209 40.742 -35.725 -4.706 1.00 0.00 WAT +ATOM 33938 OH2 TIP3 9210 42.831 -33.587 12.867 1.00 0.00 WAT +ATOM 33939 H1 TIP3 9210 43.531 -33.894 12.284 1.00 0.00 WAT +ATOM 33940 H2 TIP3 9210 42.659 -34.399 13.375 1.00 0.00 WAT +ATOM 33941 OH2 TIP3 9211 38.528 -38.787 10.290 1.00 0.00 WAT +ATOM 33942 H1 TIP3 9211 38.634 -39.424 9.566 1.00 0.00 WAT +ATOM 33943 H2 TIP3 9211 38.396 -37.958 9.797 1.00 0.00 WAT +ATOM 33944 OH2 TIP3 9212 38.908 -40.372 7.673 1.00 0.00 WAT +ATOM 33945 H1 TIP3 9212 39.424 -39.783 7.077 1.00 0.00 WAT +ATOM 33946 H2 TIP3 9212 37.996 -40.255 7.337 1.00 0.00 WAT +ATOM 33947 OH2 TIP3 9213 40.678 -34.931 8.042 1.00 0.00 WAT +ATOM 33948 H1 TIP3 9213 41.363 -34.915 7.364 1.00 0.00 WAT +ATOM 33949 H2 TIP3 9213 40.290 -34.048 7.926 1.00 0.00 WAT +ATOM 33950 OH2 TIP3 9214 36.752 -36.981 12.116 1.00 0.00 WAT +ATOM 33951 H1 TIP3 9214 36.221 -37.796 12.086 1.00 0.00 WAT +ATOM 33952 H2 TIP3 9214 37.542 -37.250 11.621 1.00 0.00 WAT +ATOM 33953 OH2 TIP3 9215 39.344 -42.721 8.933 1.00 0.00 WAT +ATOM 33954 H1 TIP3 9215 39.444 -41.834 8.521 1.00 0.00 WAT +ATOM 33955 H2 TIP3 9215 38.440 -42.911 8.652 1.00 0.00 WAT +ATOM 33956 OH2 TIP3 9216 41.055 -38.557 11.835 1.00 0.00 WAT +ATOM 33957 H1 TIP3 9216 40.692 -38.871 12.677 1.00 0.00 WAT +ATOM 33958 H2 TIP3 9216 40.306 -38.749 11.240 1.00 0.00 WAT +ATOM 33959 OH2 TIP3 9217 35.517 -39.592 11.958 1.00 0.00 WAT +ATOM 33960 H1 TIP3 9217 35.258 -40.201 11.244 1.00 0.00 WAT +ATOM 33961 H2 TIP3 9217 35.069 -39.979 12.725 1.00 0.00 WAT +ATOM 33962 OH2 TIP3 9218 40.538 -41.457 13.002 1.00 0.00 WAT +ATOM 33963 H1 TIP3 9218 40.282 -42.281 12.546 1.00 0.00 WAT +ATOM 33964 H2 TIP3 9218 39.703 -40.960 13.032 1.00 0.00 WAT +ATOM 33965 OH2 TIP3 9219 39.564 -24.578 -3.689 1.00 0.00 WAT +ATOM 33966 H1 TIP3 9219 40.531 -24.563 -3.692 1.00 0.00 WAT +ATOM 33967 H2 TIP3 9219 39.373 -24.166 -4.543 1.00 0.00 WAT +ATOM 33968 OH2 TIP3 9220 33.346 -30.209 -4.187 1.00 0.00 WAT +ATOM 33969 H1 TIP3 9220 34.302 -30.020 -4.081 1.00 0.00 WAT +ATOM 33970 H2 TIP3 9220 33.354 -30.978 -4.791 1.00 0.00 WAT +ATOM 33971 OH2 TIP3 9221 32.344 -25.003 0.514 1.00 0.00 WAT +ATOM 33972 H1 TIP3 9221 31.629 -25.374 -0.041 1.00 0.00 WAT +ATOM 33973 H2 TIP3 9221 32.421 -25.690 1.207 1.00 0.00 WAT +ATOM 33974 OH2 TIP3 9222 32.734 -26.985 2.508 1.00 0.00 WAT +ATOM 33975 H1 TIP3 9222 32.426 -27.855 2.812 1.00 0.00 WAT +ATOM 33976 H2 TIP3 9222 33.047 -26.629 3.352 1.00 0.00 WAT +ATOM 33977 OH2 TIP3 9223 32.803 -33.643 4.908 1.00 0.00 WAT +ATOM 33978 H1 TIP3 9223 33.052 -33.594 3.970 1.00 0.00 WAT +ATOM 33979 H2 TIP3 9223 33.670 -33.860 5.311 1.00 0.00 WAT +ATOM 33980 OH2 TIP3 9224 32.669 -38.355 11.468 1.00 0.00 WAT +ATOM 33981 H1 TIP3 9224 33.583 -38.590 11.255 1.00 0.00 WAT +ATOM 33982 H2 TIP3 9224 32.220 -39.212 11.403 1.00 0.00 WAT +ATOM 33983 OH2 TIP3 9225 33.409 -39.895 4.115 1.00 0.00 WAT +ATOM 33984 H1 TIP3 9225 33.715 -40.825 4.215 1.00 0.00 WAT +ATOM 33985 H2 TIP3 9225 34.166 -39.404 4.484 1.00 0.00 WAT +ATOM 33986 OH2 TIP3 9226 32.022 -37.278 5.149 1.00 0.00 WAT +ATOM 33987 H1 TIP3 9226 32.606 -37.332 4.378 1.00 0.00 WAT +ATOM 33988 H2 TIP3 9226 32.399 -36.524 5.619 1.00 0.00 WAT +ATOM 33989 OH2 TIP3 9227 32.556 -41.029 -0.804 1.00 0.00 WAT +ATOM 33990 H1 TIP3 9227 31.606 -40.936 -0.991 1.00 0.00 WAT +ATOM 33991 H2 TIP3 9227 32.954 -40.338 -1.374 1.00 0.00 WAT +ATOM 33992 OH2 TIP3 9228 32.328 -41.264 7.728 1.00 0.00 WAT +ATOM 33993 H1 TIP3 9228 32.333 -42.206 7.989 1.00 0.00 WAT +ATOM 33994 H2 TIP3 9228 32.128 -41.335 6.784 1.00 0.00 WAT +ATOM 33995 OH2 TIP3 9229 34.556 -28.924 12.051 1.00 0.00 WAT +ATOM 33996 H1 TIP3 9229 33.841 -28.998 11.402 1.00 0.00 WAT +ATOM 33997 H2 TIP3 9229 34.084 -29.026 12.888 1.00 0.00 WAT +ATOM 33998 OH2 TIP3 9230 37.405 -27.973 7.725 1.00 0.00 WAT +ATOM 33999 H1 TIP3 9230 37.098 -27.125 7.364 1.00 0.00 WAT +ATOM 34000 H2 TIP3 9230 38.363 -27.888 7.551 1.00 0.00 WAT +ATOM 34001 OH2 TIP3 9231 42.187 -26.329 10.623 1.00 0.00 WAT +ATOM 34002 H1 TIP3 9231 42.047 -26.723 11.499 1.00 0.00 WAT +ATOM 34003 H2 TIP3 9231 43.143 -26.142 10.674 1.00 0.00 WAT +ATOM 34004 OH2 TIP3 9232 34.803 -24.983 8.056 1.00 0.00 WAT +ATOM 34005 H1 TIP3 9232 34.171 -24.399 7.601 1.00 0.00 WAT +ATOM 34006 H2 TIP3 9232 34.394 -25.044 8.926 1.00 0.00 WAT +ATOM 34007 OH2 TIP3 9233 37.303 -25.222 6.648 1.00 0.00 WAT +ATOM 34008 H1 TIP3 9233 36.431 -25.073 7.066 1.00 0.00 WAT +ATOM 34009 H2 TIP3 9233 37.296 -24.573 5.925 1.00 0.00 WAT +ATOM 34010 OH2 TIP3 9234 41.953 -25.476 6.183 1.00 0.00 WAT +ATOM 34011 H1 TIP3 9234 41.782 -25.003 5.354 1.00 0.00 WAT +ATOM 34012 H2 TIP3 9234 42.582 -24.903 6.632 1.00 0.00 WAT +ATOM 34013 OH2 TIP3 9235 34.376 -26.210 5.015 1.00 0.00 WAT +ATOM 34014 H1 TIP3 9235 34.336 -26.734 5.846 1.00 0.00 WAT +ATOM 34015 H2 TIP3 9235 35.100 -26.675 4.548 1.00 0.00 WAT +ATOM 34016 OH2 TIP3 9236 36.358 -27.469 3.451 1.00 0.00 WAT +ATOM 34017 H1 TIP3 9236 36.205 -28.408 3.690 1.00 0.00 WAT +ATOM 34018 H2 TIP3 9236 37.280 -27.338 3.747 1.00 0.00 WAT +ATOM 34019 OH2 TIP3 9237 39.130 -26.985 4.321 1.00 0.00 WAT +ATOM 34020 H1 TIP3 9237 39.346 -27.902 4.078 1.00 0.00 WAT +ATOM 34021 H2 TIP3 9237 39.213 -27.033 5.287 1.00 0.00 WAT +ATOM 34022 OH2 TIP3 9238 42.580 -41.420 3.692 1.00 0.00 WAT +ATOM 34023 H1 TIP3 9238 41.799 -41.980 3.854 1.00 0.00 WAT +ATOM 34024 H2 TIP3 9238 42.879 -41.760 2.842 1.00 0.00 WAT +ATOM 34025 OH2 TIP3 9239 34.779 -42.822 0.933 1.00 0.00 WAT +ATOM 34026 H1 TIP3 9239 33.870 -43.055 0.717 1.00 0.00 WAT +ATOM 34027 H2 TIP3 9239 35.133 -43.651 1.271 1.00 0.00 WAT +ATOM 34028 OH2 TIP3 9240 33.367 -42.910 -2.820 1.00 0.00 WAT +ATOM 34029 H1 TIP3 9240 33.828 -42.447 -3.544 1.00 0.00 WAT +ATOM 34030 H2 TIP3 9240 33.017 -42.165 -2.302 1.00 0.00 WAT +ATOM 34031 OH2 TIP3 9241 39.342 -42.483 0.999 1.00 0.00 WAT +ATOM 34032 H1 TIP3 9241 40.288 -42.251 1.053 1.00 0.00 WAT +ATOM 34033 H2 TIP3 9241 39.186 -42.885 1.859 1.00 0.00 WAT +ATOM 34034 OH2 TIP3 9242 33.810 -26.958 -1.773 1.00 0.00 WAT +ATOM 34035 H1 TIP3 9242 33.163 -27.095 -2.484 1.00 0.00 WAT +ATOM 34036 H2 TIP3 9242 33.777 -25.993 -1.704 1.00 0.00 WAT +ATOM 34037 OH2 TIP3 9243 35.287 -41.240 -4.421 1.00 0.00 WAT +ATOM 34038 H1 TIP3 9243 35.988 -41.635 -4.969 1.00 0.00 WAT +ATOM 34039 H2 TIP3 9243 35.821 -40.736 -3.778 1.00 0.00 WAT +ATOM 34040 OH2 TIP3 9244 40.529 -40.635 -2.166 1.00 0.00 WAT +ATOM 34041 H1 TIP3 9244 40.647 -41.495 -1.717 1.00 0.00 WAT +ATOM 34042 H2 TIP3 9244 40.637 -39.977 -1.446 1.00 0.00 WAT +ATOM 34043 OH2 TIP3 9245 42.630 -25.315 -3.690 1.00 0.00 WAT +ATOM 34044 H1 TIP3 9245 43.515 -24.951 -3.869 1.00 0.00 WAT +ATOM 34045 H2 TIP3 9245 42.492 -25.910 -4.448 1.00 0.00 WAT +ATOM 34046 OH2 TIP3 9246 34.410 -41.779 10.405 1.00 0.00 WAT +ATOM 34047 H1 TIP3 9246 33.950 -42.576 10.705 1.00 0.00 WAT +ATOM 34048 H2 TIP3 9246 35.290 -42.159 10.265 1.00 0.00 WAT +ATOM 34049 OH2 TIP3 9247 37.333 -42.781 13.047 1.00 0.00 WAT +ATOM 34050 H1 TIP3 9247 38.202 -43.040 12.667 1.00 0.00 WAT +ATOM 34051 H2 TIP3 9247 37.080 -43.586 13.513 1.00 0.00 WAT +ATOM 34052 OH2 TIP3 9248 35.236 -26.016 -4.973 1.00 0.00 WAT +ATOM 34053 H1 TIP3 9248 34.982 -25.738 -4.080 1.00 0.00 WAT +ATOM 34054 H2 TIP3 9248 36.001 -26.589 -4.811 1.00 0.00 WAT +ATOM 34055 OH2 TIP3 9249 -31.618 -14.808 1.422 1.00 0.00 WAT +ATOM 34056 H1 TIP3 9249 -31.570 -13.847 1.575 1.00 0.00 WAT +ATOM 34057 H2 TIP3 9249 -32.421 -14.871 0.897 1.00 0.00 WAT +ATOM 34058 OH2 TIP3 9250 -32.655 -15.331 4.515 1.00 0.00 WAT +ATOM 34059 H1 TIP3 9250 -32.654 -15.849 5.338 1.00 0.00 WAT +ATOM 34060 H2 TIP3 9250 -32.880 -15.985 3.845 1.00 0.00 WAT +ATOM 34061 OH2 TIP3 9251 -40.310 -15.766 6.188 1.00 0.00 WAT +ATOM 34062 H1 TIP3 9251 -40.299 -16.511 6.816 1.00 0.00 WAT +ATOM 34063 H2 TIP3 9251 -39.563 -15.239 6.505 1.00 0.00 WAT +ATOM 34064 OH2 TIP3 9252 -29.043 -12.493 3.008 1.00 0.00 WAT +ATOM 34065 H1 TIP3 9252 -29.356 -13.153 3.633 1.00 0.00 WAT +ATOM 34066 H2 TIP3 9252 -28.928 -11.720 3.570 1.00 0.00 WAT +ATOM 34067 OH2 TIP3 9253 -39.579 -11.156 4.705 1.00 0.00 WAT +ATOM 34068 H1 TIP3 9253 -39.822 -12.047 4.394 1.00 0.00 WAT +ATOM 34069 H2 TIP3 9253 -38.612 -11.258 4.797 1.00 0.00 WAT +ATOM 34070 OH2 TIP3 9254 -42.971 -17.373 0.679 1.00 0.00 WAT +ATOM 34071 H1 TIP3 9254 -42.998 -16.526 1.174 1.00 0.00 WAT +ATOM 34072 H2 TIP3 9254 -43.889 -17.619 0.587 1.00 0.00 WAT +ATOM 34073 OH2 TIP3 9255 -42.108 -15.174 2.021 1.00 0.00 WAT +ATOM 34074 H1 TIP3 9255 -41.765 -15.896 2.577 1.00 0.00 WAT +ATOM 34075 H2 TIP3 9255 -41.287 -14.796 1.670 1.00 0.00 WAT +ATOM 34076 OH2 TIP3 9256 -34.191 -12.904 5.138 1.00 0.00 WAT +ATOM 34077 H1 TIP3 9256 -33.801 -13.614 4.601 1.00 0.00 WAT +ATOM 34078 H2 TIP3 9256 -33.383 -12.672 5.649 1.00 0.00 WAT +ATOM 34079 OH2 TIP3 9257 -25.577 -21.312 5.650 1.00 0.00 WAT +ATOM 34080 H1 TIP3 9257 -25.326 -20.783 6.433 1.00 0.00 WAT +ATOM 34081 H2 TIP3 9257 -24.867 -21.080 5.019 1.00 0.00 WAT +ATOM 34082 OH2 TIP3 9258 -30.995 -18.537 5.587 1.00 0.00 WAT +ATOM 34083 H1 TIP3 9258 -30.820 -19.492 5.619 1.00 0.00 WAT +ATOM 34084 H2 TIP3 9258 -31.037 -18.380 4.631 1.00 0.00 WAT +ATOM 34085 OH2 TIP3 9259 -38.028 -20.515 2.666 1.00 0.00 WAT +ATOM 34086 H1 TIP3 9259 -37.842 -19.664 2.222 1.00 0.00 WAT +ATOM 34087 H2 TIP3 9259 -38.337 -21.046 1.906 1.00 0.00 WAT +ATOM 34088 OH2 TIP3 9260 -30.133 -20.336 0.979 1.00 0.00 WAT +ATOM 34089 H1 TIP3 9260 -29.581 -20.750 1.679 1.00 0.00 WAT +ATOM 34090 H2 TIP3 9260 -29.437 -19.925 0.439 1.00 0.00 WAT +ATOM 34091 OH2 TIP3 9261 -41.402 -17.750 3.276 1.00 0.00 WAT +ATOM 34092 H1 TIP3 9261 -40.740 -18.205 3.825 1.00 0.00 WAT +ATOM 34093 H2 TIP3 9261 -41.280 -18.194 2.421 1.00 0.00 WAT +ATOM 34094 OH2 TIP3 9262 -35.924 -16.383 2.611 1.00 0.00 WAT +ATOM 34095 H1 TIP3 9262 -35.210 -16.914 3.018 1.00 0.00 WAT +ATOM 34096 H2 TIP3 9262 -36.440 -17.071 2.156 1.00 0.00 WAT +ATOM 34097 OH2 TIP3 9263 -25.039 -20.053 8.110 1.00 0.00 WAT +ATOM 34098 H1 TIP3 9263 -25.265 -19.138 7.866 1.00 0.00 WAT +ATOM 34099 H2 TIP3 9263 -24.876 -19.944 9.053 1.00 0.00 WAT +ATOM 34100 OH2 TIP3 9264 -39.195 -21.711 6.833 1.00 0.00 WAT +ATOM 34101 H1 TIP3 9264 -39.619 -21.245 6.099 1.00 0.00 WAT +ATOM 34102 H2 TIP3 9264 -39.814 -21.521 7.565 1.00 0.00 WAT +ATOM 34103 OH2 TIP3 9265 -31.731 -12.035 0.254 1.00 0.00 WAT +ATOM 34104 H1 TIP3 9265 -32.112 -12.145 -0.612 1.00 0.00 WAT +ATOM 34105 H2 TIP3 9265 -32.016 -11.136 0.502 1.00 0.00 WAT +ATOM 34106 OH2 TIP3 9266 -36.277 -13.850 6.941 1.00 0.00 WAT +ATOM 34107 H1 TIP3 9266 -36.977 -13.203 7.165 1.00 0.00 WAT +ATOM 34108 H2 TIP3 9266 -35.606 -13.286 6.505 1.00 0.00 WAT +ATOM 34109 OH2 TIP3 9267 -28.319 -21.037 3.070 1.00 0.00 WAT +ATOM 34110 H1 TIP3 9267 -28.642 -21.644 3.747 1.00 0.00 WAT +ATOM 34111 H2 TIP3 9267 -27.683 -20.500 3.572 1.00 0.00 WAT +ATOM 34112 OH2 TIP3 9268 -39.589 -19.649 4.751 1.00 0.00 WAT +ATOM 34113 H1 TIP3 9268 -38.935 -19.086 5.223 1.00 0.00 WAT +ATOM 34114 H2 TIP3 9268 -39.010 -20.024 4.049 1.00 0.00 WAT +ATOM 34115 OH2 TIP3 9269 -38.294 -11.974 7.686 1.00 0.00 WAT +ATOM 34116 H1 TIP3 9269 -38.270 -11.092 7.274 1.00 0.00 WAT +ATOM 34117 H2 TIP3 9269 -39.176 -11.958 8.090 1.00 0.00 WAT +ATOM 34118 OH2 TIP3 9270 -41.853 -12.374 -1.465 1.00 0.00 WAT +ATOM 34119 H1 TIP3 9270 -42.676 -12.174 -1.949 1.00 0.00 WAT +ATOM 34120 H2 TIP3 9270 -41.864 -11.707 -0.749 1.00 0.00 WAT +ATOM 34121 OH2 TIP3 9271 -28.154 -21.978 6.828 1.00 0.00 WAT +ATOM 34122 H1 TIP3 9271 -28.915 -21.556 6.387 1.00 0.00 WAT +ATOM 34123 H2 TIP3 9271 -27.414 -21.742 6.237 1.00 0.00 WAT +ATOM 34124 OH2 TIP3 9272 -35.062 -24.234 3.889 1.00 0.00 WAT +ATOM 34125 H1 TIP3 9272 -35.273 -25.185 3.856 1.00 0.00 WAT +ATOM 34126 H2 TIP3 9272 -35.878 -23.862 4.285 1.00 0.00 WAT +ATOM 34127 OH2 TIP3 9273 -28.647 -10.868 0.290 1.00 0.00 WAT +ATOM 34128 H1 TIP3 9273 -29.362 -11.390 -0.082 1.00 0.00 WAT +ATOM 34129 H2 TIP3 9273 -28.786 -11.015 1.238 1.00 0.00 WAT +ATOM 34130 OH2 TIP3 9274 -33.196 -14.812 -1.534 1.00 0.00 WAT +ATOM 34131 H1 TIP3 9274 -33.688 -15.073 -2.309 1.00 0.00 WAT +ATOM 34132 H2 TIP3 9274 -32.282 -15.008 -1.807 1.00 0.00 WAT +ATOM 34133 OH2 TIP3 9275 -32.767 -17.076 -4.222 1.00 0.00 WAT +ATOM 34134 H1 TIP3 9275 -32.025 -16.799 -3.651 1.00 0.00 WAT +ATOM 34135 H2 TIP3 9275 -32.302 -17.687 -4.815 1.00 0.00 WAT +ATOM 34136 OH2 TIP3 9276 -29.476 -15.344 -0.239 1.00 0.00 WAT +ATOM 34137 H1 TIP3 9276 -30.087 -15.080 0.486 1.00 0.00 WAT +ATOM 34138 H2 TIP3 9276 -28.796 -15.833 0.268 1.00 0.00 WAT +ATOM 34139 OH2 TIP3 9277 -29.579 -16.803 8.633 1.00 0.00 WAT +ATOM 34140 H1 TIP3 9277 -29.639 -16.099 9.296 1.00 0.00 WAT +ATOM 34141 H2 TIP3 9277 -30.096 -16.407 7.906 1.00 0.00 WAT +ATOM 34142 OH2 TIP3 9278 -37.910 -14.576 1.545 1.00 0.00 WAT +ATOM 34143 H1 TIP3 9278 -38.100 -15.015 0.694 1.00 0.00 WAT +ATOM 34144 H2 TIP3 9278 -37.189 -15.123 1.902 1.00 0.00 WAT +ATOM 34145 OH2 TIP3 9279 -36.679 -11.295 4.391 1.00 0.00 WAT +ATOM 34146 H1 TIP3 9279 -36.543 -11.321 3.435 1.00 0.00 WAT +ATOM 34147 H2 TIP3 9279 -35.762 -11.367 4.709 1.00 0.00 WAT +ATOM 34148 OH2 TIP3 9280 -37.286 -15.683 5.041 1.00 0.00 WAT +ATOM 34149 H1 TIP3 9280 -36.696 -15.652 4.264 1.00 0.00 WAT +ATOM 34150 H2 TIP3 9280 -36.875 -15.020 5.632 1.00 0.00 WAT +ATOM 34151 OH2 TIP3 9281 -36.471 -11.440 9.929 1.00 0.00 WAT +ATOM 34152 H1 TIP3 9281 -36.948 -10.695 10.329 1.00 0.00 WAT +ATOM 34153 H2 TIP3 9281 -37.041 -11.650 9.165 1.00 0.00 WAT +ATOM 34154 OH2 TIP3 9282 -30.651 -15.748 -2.731 1.00 0.00 WAT +ATOM 34155 H1 TIP3 9282 -30.107 -15.565 -1.932 1.00 0.00 WAT +ATOM 34156 H2 TIP3 9282 -30.092 -15.312 -3.422 1.00 0.00 WAT +ATOM 34157 OH2 TIP3 9283 -39.565 -15.064 9.058 1.00 0.00 WAT +ATOM 34158 H1 TIP3 9283 -39.463 -14.432 9.792 1.00 0.00 WAT +ATOM 34159 H2 TIP3 9283 -40.528 -15.063 8.926 1.00 0.00 WAT +ATOM 34160 OH2 TIP3 9284 -32.832 -9.165 0.817 1.00 0.00 WAT +ATOM 34161 H1 TIP3 9284 -32.268 -8.930 1.583 1.00 0.00 WAT +ATOM 34162 H2 TIP3 9284 -33.441 -8.413 0.787 1.00 0.00 WAT +ATOM 34163 OH2 TIP3 9285 -38.355 -9.192 10.731 1.00 0.00 WAT +ATOM 34164 H1 TIP3 9285 -38.380 -9.121 9.759 1.00 0.00 WAT +ATOM 34165 H2 TIP3 9285 -39.273 -9.416 10.957 1.00 0.00 WAT +ATOM 34166 OH2 TIP3 9286 -27.061 -24.081 -3.313 1.00 0.00 WAT +ATOM 34167 H1 TIP3 9286 -27.899 -23.997 -2.825 1.00 0.00 WAT +ATOM 34168 H2 TIP3 9286 -26.683 -23.193 -3.208 1.00 0.00 WAT +ATOM 34169 OH2 TIP3 9287 -38.713 -15.711 -0.962 1.00 0.00 WAT +ATOM 34170 H1 TIP3 9287 -39.046 -14.967 -1.484 1.00 0.00 WAT +ATOM 34171 H2 TIP3 9287 -39.335 -16.414 -1.185 1.00 0.00 WAT +ATOM 34172 OH2 TIP3 9288 -42.733 -12.965 7.620 1.00 0.00 WAT +ATOM 34173 H1 TIP3 9288 -42.876 -13.278 6.710 1.00 0.00 WAT +ATOM 34174 H2 TIP3 9288 -43.012 -13.739 8.133 1.00 0.00 WAT +ATOM 34175 OH2 TIP3 9289 -42.850 -10.232 4.623 1.00 0.00 WAT +ATOM 34176 H1 TIP3 9289 -41.949 -10.561 4.743 1.00 0.00 WAT +ATOM 34177 H2 TIP3 9289 -42.958 -9.650 5.384 1.00 0.00 WAT +ATOM 34178 OH2 TIP3 9290 -33.755 -10.402 9.379 1.00 0.00 WAT +ATOM 34179 H1 TIP3 9290 -33.720 -9.495 9.717 1.00 0.00 WAT +ATOM 34180 H2 TIP3 9290 -34.689 -10.638 9.515 1.00 0.00 WAT +ATOM 34181 OH2 TIP3 9291 -33.594 -6.501 -0.818 1.00 0.00 WAT +ATOM 34182 H1 TIP3 9291 -33.391 -6.318 -1.749 1.00 0.00 WAT +ATOM 34183 H2 TIP3 9291 -33.426 -5.652 -0.379 1.00 0.00 WAT +ATOM 34184 OH2 TIP3 9292 -39.794 -7.415 0.973 1.00 0.00 WAT +ATOM 34185 H1 TIP3 9292 -39.455 -7.766 1.819 1.00 0.00 WAT +ATOM 34186 H2 TIP3 9292 -40.590 -7.953 0.856 1.00 0.00 WAT +ATOM 34187 OH2 TIP3 9293 -30.147 -7.131 -3.558 1.00 0.00 WAT +ATOM 34188 H1 TIP3 9293 -29.704 -7.896 -3.946 1.00 0.00 WAT +ATOM 34189 H2 TIP3 9293 -30.129 -7.362 -2.603 1.00 0.00 WAT +ATOM 34190 OH2 TIP3 9294 -30.657 -7.586 -0.700 1.00 0.00 WAT +ATOM 34191 H1 TIP3 9294 -31.588 -7.572 -0.425 1.00 0.00 WAT +ATOM 34192 H2 TIP3 9294 -30.286 -8.099 0.044 1.00 0.00 WAT +ATOM 34193 OH2 TIP3 9295 -27.981 -18.331 10.980 1.00 0.00 WAT +ATOM 34194 H1 TIP3 9295 -28.169 -17.868 10.157 1.00 0.00 WAT +ATOM 34195 H2 TIP3 9295 -27.703 -19.213 10.660 1.00 0.00 WAT +ATOM 34196 OH2 TIP3 9296 -40.765 -11.537 9.169 1.00 0.00 WAT +ATOM 34197 H1 TIP3 9296 -40.397 -12.168 9.814 1.00 0.00 WAT +ATOM 34198 H2 TIP3 9296 -41.471 -12.042 8.716 1.00 0.00 WAT +ATOM 34199 OH2 TIP3 9297 -37.488 -23.098 4.831 1.00 0.00 WAT +ATOM 34200 H1 TIP3 9297 -38.312 -23.167 4.317 1.00 0.00 WAT +ATOM 34201 H2 TIP3 9297 -37.704 -22.350 5.409 1.00 0.00 WAT +ATOM 34202 OH2 TIP3 9298 -33.114 -23.505 8.488 1.00 0.00 WAT +ATOM 34203 H1 TIP3 9298 -32.575 -24.038 9.106 1.00 0.00 WAT +ATOM 34204 H2 TIP3 9298 -34.010 -23.872 8.602 1.00 0.00 WAT +ATOM 34205 OH2 TIP3 9299 -29.992 -19.746 8.887 1.00 0.00 WAT +ATOM 34206 H1 TIP3 9299 -30.479 -19.859 9.722 1.00 0.00 WAT +ATOM 34207 H2 TIP3 9299 -29.936 -18.779 8.787 1.00 0.00 WAT +ATOM 34208 OH2 TIP3 9300 -29.004 -14.788 -4.760 1.00 0.00 WAT +ATOM 34209 H1 TIP3 9300 -29.142 -15.019 -5.691 1.00 0.00 WAT +ATOM 34210 H2 TIP3 9300 -28.048 -14.581 -4.772 1.00 0.00 WAT +ATOM 34211 OH2 TIP3 9301 -33.349 -20.950 -4.268 1.00 0.00 WAT +ATOM 34212 H1 TIP3 9301 -33.773 -21.155 -3.422 1.00 0.00 WAT +ATOM 34213 H2 TIP3 9301 -33.688 -21.674 -4.822 1.00 0.00 WAT +ATOM 34214 OH2 TIP3 9302 -37.657 -18.290 6.196 1.00 0.00 WAT +ATOM 34215 H1 TIP3 9302 -38.147 -18.144 7.019 1.00 0.00 WAT +ATOM 34216 H2 TIP3 9302 -37.521 -17.376 5.866 1.00 0.00 WAT +ATOM 34217 OH2 TIP3 9303 -37.725 -18.223 1.102 1.00 0.00 WAT +ATOM 34218 H1 TIP3 9303 -38.676 -18.354 0.922 1.00 0.00 WAT +ATOM 34219 H2 TIP3 9303 -37.346 -18.398 0.221 1.00 0.00 WAT +ATOM 34220 OH2 TIP3 9304 -32.143 -17.584 -0.185 1.00 0.00 WAT +ATOM 34221 H1 TIP3 9304 -32.541 -16.769 -0.516 1.00 0.00 WAT +ATOM 34222 H2 TIP3 9304 -31.381 -17.703 -0.778 1.00 0.00 WAT +ATOM 34223 OH2 TIP3 9305 -32.881 -17.427 11.297 1.00 0.00 WAT +ATOM 34224 H1 TIP3 9305 -33.385 -18.215 11.587 1.00 0.00 WAT +ATOM 34225 H2 TIP3 9305 -31.996 -17.617 11.655 1.00 0.00 WAT +ATOM 34226 OH2 TIP3 9306 -31.273 -18.274 2.657 1.00 0.00 WAT +ATOM 34227 H1 TIP3 9306 -31.491 -17.657 1.933 1.00 0.00 WAT +ATOM 34228 H2 TIP3 9306 -30.995 -19.053 2.132 1.00 0.00 WAT +ATOM 34229 OH2 TIP3 9307 -40.357 -18.107 8.107 1.00 0.00 WAT +ATOM 34230 H1 TIP3 9307 -39.895 -17.766 8.883 1.00 0.00 WAT +ATOM 34231 H2 TIP3 9307 -40.504 -19.037 8.351 1.00 0.00 WAT +ATOM 34232 OH2 TIP3 9308 -36.896 -20.407 -5.292 1.00 0.00 WAT +ATOM 34233 H1 TIP3 9308 -37.241 -20.882 -4.510 1.00 0.00 WAT +ATOM 34234 H2 TIP3 9308 -37.650 -20.406 -5.893 1.00 0.00 WAT +ATOM 34235 OH2 TIP3 9309 -43.271 -20.511 1.665 1.00 0.00 WAT +ATOM 34236 H1 TIP3 9309 -43.077 -20.723 2.599 1.00 0.00 WAT +ATOM 34237 H2 TIP3 9309 -42.805 -21.223 1.215 1.00 0.00 WAT +ATOM 34238 OH2 TIP3 9310 -41.986 -20.182 -2.424 1.00 0.00 WAT +ATOM 34239 H1 TIP3 9310 -41.462 -19.902 -3.197 1.00 0.00 WAT +ATOM 34240 H2 TIP3 9310 -42.827 -19.738 -2.609 1.00 0.00 WAT +ATOM 34241 OH2 TIP3 9311 -32.205 -16.616 7.124 1.00 0.00 WAT +ATOM 34242 H1 TIP3 9311 -31.677 -17.274 6.619 1.00 0.00 WAT +ATOM 34243 H2 TIP3 9311 -32.400 -17.106 7.930 1.00 0.00 WAT +ATOM 34244 OH2 TIP3 9312 -34.918 -20.634 2.130 1.00 0.00 WAT +ATOM 34245 H1 TIP3 9312 -35.845 -20.694 2.409 1.00 0.00 WAT +ATOM 34246 H2 TIP3 9312 -34.452 -20.790 2.970 1.00 0.00 WAT +ATOM 34247 OH2 TIP3 9313 -40.362 -19.339 0.719 1.00 0.00 WAT +ATOM 34248 H1 TIP3 9313 -41.272 -19.323 0.399 1.00 0.00 WAT +ATOM 34249 H2 TIP3 9313 -40.031 -20.194 0.381 1.00 0.00 WAT +ATOM 34250 OH2 TIP3 9314 -36.725 -19.084 -1.510 1.00 0.00 WAT +ATOM 34251 H1 TIP3 9314 -35.756 -19.034 -1.401 1.00 0.00 WAT +ATOM 34252 H2 TIP3 9314 -36.925 -18.399 -2.166 1.00 0.00 WAT +ATOM 34253 OH2 TIP3 9315 -30.519 -21.493 5.179 1.00 0.00 WAT +ATOM 34254 H1 TIP3 9315 -31.169 -21.484 5.914 1.00 0.00 WAT +ATOM 34255 H2 TIP3 9315 -31.082 -21.814 4.456 1.00 0.00 WAT +ATOM 34256 OH2 TIP3 9316 -38.346 -17.719 -3.739 1.00 0.00 WAT +ATOM 34257 H1 TIP3 9316 -38.820 -18.151 -4.468 1.00 0.00 WAT +ATOM 34258 H2 TIP3 9316 -37.488 -17.542 -4.139 1.00 0.00 WAT +ATOM 34259 OH2 TIP3 9317 -27.521 -5.546 11.652 1.00 0.00 WAT +ATOM 34260 H1 TIP3 9317 -27.220 -5.210 10.796 1.00 0.00 WAT +ATOM 34261 H2 TIP3 9317 -26.721 -5.470 12.194 1.00 0.00 WAT +ATOM 34262 OH2 TIP3 9318 -39.564 -13.135 11.251 1.00 0.00 WAT +ATOM 34263 H1 TIP3 9318 -38.895 -13.077 11.966 1.00 0.00 WAT +ATOM 34264 H2 TIP3 9318 -40.375 -12.972 11.775 1.00 0.00 WAT +ATOM 34265 OH2 TIP3 9319 -33.925 -18.100 3.934 1.00 0.00 WAT +ATOM 34266 H1 TIP3 9319 -33.115 -18.431 3.514 1.00 0.00 WAT +ATOM 34267 H2 TIP3 9319 -34.005 -18.686 4.709 1.00 0.00 WAT +ATOM 34268 OH2 TIP3 9320 -38.733 -21.720 0.210 1.00 0.00 WAT +ATOM 34269 H1 TIP3 9320 -39.144 -22.593 0.260 1.00 0.00 WAT +ATOM 34270 H2 TIP3 9320 -37.905 -21.924 -0.249 1.00 0.00 WAT +ATOM 34271 OH2 TIP3 9321 -34.951 -19.676 6.228 1.00 0.00 WAT +ATOM 34272 H1 TIP3 9321 -35.667 -19.024 6.219 1.00 0.00 WAT +ATOM 34273 H2 TIP3 9321 -34.418 -19.408 7.004 1.00 0.00 WAT +ATOM 34274 OH2 TIP3 9322 -30.624 -20.415 -4.100 1.00 0.00 WAT +ATOM 34275 H1 TIP3 9322 -31.604 -20.397 -4.137 1.00 0.00 WAT +ATOM 34276 H2 TIP3 9322 -30.404 -19.679 -3.493 1.00 0.00 WAT +ATOM 34277 OH2 TIP3 9323 -33.211 -13.319 9.392 1.00 0.00 WAT +ATOM 34278 H1 TIP3 9323 -33.407 -13.499 10.313 1.00 0.00 WAT +ATOM 34279 H2 TIP3 9323 -33.284 -12.352 9.338 1.00 0.00 WAT +ATOM 34280 OH2 TIP3 9324 -29.959 -18.550 -2.084 1.00 0.00 WAT +ATOM 34281 H1 TIP3 9324 -29.119 -18.757 -1.625 1.00 0.00 WAT +ATOM 34282 H2 TIP3 9324 -29.749 -17.704 -2.511 1.00 0.00 WAT +ATOM 34283 OH2 TIP3 9325 -39.791 -13.956 3.799 1.00 0.00 WAT +ATOM 34284 H1 TIP3 9325 -39.088 -13.966 3.124 1.00 0.00 WAT +ATOM 34285 H2 TIP3 9325 -39.562 -14.735 4.329 1.00 0.00 WAT +ATOM 34286 OH2 TIP3 9326 -32.668 -12.019 -3.049 1.00 0.00 WAT +ATOM 34287 H1 TIP3 9326 -32.807 -11.113 -2.690 1.00 0.00 WAT +ATOM 34288 H2 TIP3 9326 -33.007 -12.577 -2.342 1.00 0.00 WAT +ATOM 34289 OH2 TIP3 9327 -42.453 -15.387 9.487 1.00 0.00 WAT +ATOM 34290 H1 TIP3 9327 -42.276 -16.058 10.170 1.00 0.00 WAT +ATOM 34291 H2 TIP3 9327 -42.889 -15.922 8.785 1.00 0.00 WAT +ATOM 34292 OH2 TIP3 9328 -35.417 -16.102 11.178 1.00 0.00 WAT +ATOM 34293 H1 TIP3 9328 -35.713 -16.292 10.272 1.00 0.00 WAT +ATOM 34294 H2 TIP3 9328 -34.476 -16.350 11.107 1.00 0.00 WAT +ATOM 34295 OH2 TIP3 9329 -30.716 -10.903 9.222 1.00 0.00 WAT +ATOM 34296 H1 TIP3 9329 -31.450 -10.573 8.689 1.00 0.00 WAT +ATOM 34297 H2 TIP3 9329 -30.661 -10.271 9.939 1.00 0.00 WAT +ATOM 34298 OH2 TIP3 9330 -25.587 -18.418 -2.139 1.00 0.00 WAT +ATOM 34299 H1 TIP3 9330 -25.970 -18.685 -2.991 1.00 0.00 WAT +ATOM 34300 H2 TIP3 9330 -25.430 -17.468 -2.312 1.00 0.00 WAT +ATOM 34301 OH2 TIP3 9331 -27.198 -10.091 -2.647 1.00 0.00 WAT +ATOM 34302 H1 TIP3 9331 -27.381 -10.434 -1.754 1.00 0.00 WAT +ATOM 34303 H2 TIP3 9331 -26.261 -10.269 -2.755 1.00 0.00 WAT +ATOM 34304 OH2 TIP3 9332 -29.810 -14.739 5.539 1.00 0.00 WAT +ATOM 34305 H1 TIP3 9332 -30.676 -14.814 5.109 1.00 0.00 WAT +ATOM 34306 H2 TIP3 9332 -29.241 -15.271 4.960 1.00 0.00 WAT +ATOM 34307 OH2 TIP3 9333 -37.282 -10.574 1.170 1.00 0.00 WAT +ATOM 34308 H1 TIP3 9333 -36.787 -9.741 1.176 1.00 0.00 WAT +ATOM 34309 H2 TIP3 9333 -38.173 -10.270 0.967 1.00 0.00 WAT +ATOM 34310 OH2 TIP3 9334 -41.540 -15.620 -4.076 1.00 0.00 WAT +ATOM 34311 H1 TIP3 9334 -40.863 -15.030 -3.703 1.00 0.00 WAT +ATOM 34312 H2 TIP3 9334 -42.351 -15.125 -3.888 1.00 0.00 WAT +ATOM 34313 OH2 TIP3 9335 -35.551 -12.878 0.276 1.00 0.00 WAT +ATOM 34314 H1 TIP3 9335 -35.619 -11.984 0.648 1.00 0.00 WAT +ATOM 34315 H2 TIP3 9335 -35.981 -13.385 0.976 1.00 0.00 WAT +ATOM 34316 OH2 TIP3 9336 -35.275 -8.580 7.296 1.00 0.00 WAT +ATOM 34317 H1 TIP3 9336 -34.963 -8.039 6.557 1.00 0.00 WAT +ATOM 34318 H2 TIP3 9336 -34.481 -9.078 7.526 1.00 0.00 WAT +ATOM 34319 OH2 TIP3 9337 -36.847 -7.683 0.158 1.00 0.00 WAT +ATOM 34320 H1 TIP3 9337 -37.738 -7.487 0.477 1.00 0.00 WAT +ATOM 34321 H2 TIP3 9337 -36.310 -7.169 0.792 1.00 0.00 WAT +ATOM 34322 OH2 TIP3 9338 -31.845 -12.854 6.619 1.00 0.00 WAT +ATOM 34323 H1 TIP3 9338 -31.911 -12.832 7.583 1.00 0.00 WAT +ATOM 34324 H2 TIP3 9338 -30.957 -13.221 6.483 1.00 0.00 WAT +ATOM 34325 OH2 TIP3 9339 -29.699 -11.597 -4.263 1.00 0.00 WAT +ATOM 34326 H1 TIP3 9339 -29.226 -11.988 -3.501 1.00 0.00 WAT +ATOM 34327 H2 TIP3 9339 -30.606 -11.820 -4.020 1.00 0.00 WAT +ATOM 34328 OH2 TIP3 9340 -41.008 -20.842 8.837 1.00 0.00 WAT +ATOM 34329 H1 TIP3 9340 -41.875 -20.449 8.644 1.00 0.00 WAT +ATOM 34330 H2 TIP3 9340 -41.217 -21.696 9.257 1.00 0.00 WAT +ATOM 34331 OH2 TIP3 9341 -28.608 -12.947 -1.976 1.00 0.00 WAT +ATOM 34332 H1 TIP3 9341 -28.869 -13.603 -1.311 1.00 0.00 WAT +ATOM 34333 H2 TIP3 9341 -27.677 -12.799 -1.747 1.00 0.00 WAT +ATOM 34334 OH2 TIP3 9342 -41.339 -9.125 7.283 1.00 0.00 WAT +ATOM 34335 H1 TIP3 9342 -41.053 -10.046 7.322 1.00 0.00 WAT +ATOM 34336 H2 TIP3 9342 -40.903 -8.768 8.065 1.00 0.00 WAT +ATOM 34337 OH2 TIP3 9343 -35.584 -10.533 -5.633 1.00 0.00 WAT +ATOM 34338 H1 TIP3 9343 -35.176 -11.251 -6.149 1.00 0.00 WAT +ATOM 34339 H2 TIP3 9343 -35.581 -10.885 -4.741 1.00 0.00 WAT +ATOM 34340 OH2 TIP3 9344 -39.779 -13.479 -2.735 1.00 0.00 WAT +ATOM 34341 H1 TIP3 9344 -40.536 -13.205 -2.162 1.00 0.00 WAT +ATOM 34342 H2 TIP3 9344 -39.453 -12.585 -2.959 1.00 0.00 WAT +ATOM 34343 OH2 TIP3 9345 -32.130 -21.080 7.362 1.00 0.00 WAT +ATOM 34344 H1 TIP3 9345 -31.465 -20.791 8.009 1.00 0.00 WAT +ATOM 34345 H2 TIP3 9345 -32.573 -21.825 7.812 1.00 0.00 WAT +ATOM 34346 OH2 TIP3 9346 -31.494 -21.603 -1.392 1.00 0.00 WAT +ATOM 34347 H1 TIP3 9346 -31.227 -21.104 -2.180 1.00 0.00 WAT +ATOM 34348 H2 TIP3 9346 -30.993 -21.152 -0.691 1.00 0.00 WAT +ATOM 34349 OH2 TIP3 9347 -33.708 -9.488 -2.603 1.00 0.00 WAT +ATOM 34350 H1 TIP3 9347 -34.380 -8.973 -2.126 1.00 0.00 WAT +ATOM 34351 H2 TIP3 9347 -33.154 -8.781 -2.956 1.00 0.00 WAT +ATOM 34352 OH2 TIP3 9348 -34.085 -19.598 -0.438 1.00 0.00 WAT +ATOM 34353 H1 TIP3 9348 -33.289 -19.040 -0.305 1.00 0.00 WAT +ATOM 34354 H2 TIP3 9348 -34.321 -19.816 0.485 1.00 0.00 WAT +ATOM 34355 OH2 TIP3 9349 -33.755 -18.787 8.755 1.00 0.00 WAT +ATOM 34356 H1 TIP3 9349 -33.622 -18.220 9.529 1.00 0.00 WAT +ATOM 34357 H2 TIP3 9349 -33.129 -19.506 8.918 1.00 0.00 WAT +ATOM 34358 OH2 TIP3 9350 -33.481 -22.631 0.481 1.00 0.00 WAT +ATOM 34359 H1 TIP3 9350 -33.642 -21.971 1.182 1.00 0.00 WAT +ATOM 34360 H2 TIP3 9350 -32.721 -22.228 0.013 1.00 0.00 WAT +ATOM 34361 OH2 TIP3 9351 -36.689 -8.547 -2.586 1.00 0.00 WAT +ATOM 34362 H1 TIP3 9351 -36.566 -7.696 -3.047 1.00 0.00 WAT +ATOM 34363 H2 TIP3 9351 -36.690 -8.255 -1.651 1.00 0.00 WAT +ATOM 34364 OH2 TIP3 9352 -37.736 -21.626 -2.916 1.00 0.00 WAT +ATOM 34365 H1 TIP3 9352 -37.637 -20.825 -2.372 1.00 0.00 WAT +ATOM 34366 H2 TIP3 9352 -36.924 -22.116 -2.670 1.00 0.00 WAT +ATOM 34367 OH2 TIP3 9353 -27.446 -20.723 9.645 1.00 0.00 WAT +ATOM 34368 H1 TIP3 9353 -28.376 -20.643 9.358 1.00 0.00 WAT +ATOM 34369 H2 TIP3 9353 -27.022 -20.871 8.784 1.00 0.00 WAT +ATOM 34370 OH2 TIP3 9354 -28.858 -16.914 3.630 1.00 0.00 WAT +ATOM 34371 H1 TIP3 9354 -29.677 -17.378 3.397 1.00 0.00 WAT +ATOM 34372 H2 TIP3 9354 -28.335 -17.607 4.087 1.00 0.00 WAT +ATOM 34373 OH2 TIP3 9355 -39.048 -10.835 -3.689 1.00 0.00 WAT +ATOM 34374 H1 TIP3 9355 -38.532 -10.048 -3.434 1.00 0.00 WAT +ATOM 34375 H2 TIP3 9355 -38.620 -11.083 -4.514 1.00 0.00 WAT +ATOM 34376 OH2 TIP3 9356 -41.138 -18.588 -4.739 1.00 0.00 WAT +ATOM 34377 H1 TIP3 9356 -41.118 -17.645 -4.513 1.00 0.00 WAT +ATOM 34378 H2 TIP3 9356 -41.963 -18.697 -5.223 1.00 0.00 WAT +ATOM 34379 OH2 TIP3 9357 -40.302 -23.593 3.984 1.00 0.00 WAT +ATOM 34380 H1 TIP3 9357 -40.579 -23.644 3.052 1.00 0.00 WAT +ATOM 34381 H2 TIP3 9357 -40.677 -24.419 4.353 1.00 0.00 WAT +ATOM 34382 OH2 TIP3 9358 -41.412 -10.036 0.215 1.00 0.00 WAT +ATOM 34383 H1 TIP3 9358 -42.265 -9.585 0.297 1.00 0.00 WAT +ATOM 34384 H2 TIP3 9358 -40.988 -9.538 -0.495 1.00 0.00 WAT +ATOM 34385 OH2 TIP3 9359 -42.148 -7.186 11.485 1.00 0.00 WAT +ATOM 34386 H1 TIP3 9359 -41.512 -7.196 12.223 1.00 0.00 WAT +ATOM 34387 H2 TIP3 9359 -42.136 -8.142 11.300 1.00 0.00 WAT +ATOM 34388 OH2 TIP3 9360 -37.217 -8.060 13.251 1.00 0.00 WAT +ATOM 34389 H1 TIP3 9360 -36.551 -8.753 13.390 1.00 0.00 WAT +ATOM 34390 H2 TIP3 9360 -37.493 -8.271 12.342 1.00 0.00 WAT +ATOM 34391 OH2 TIP3 9361 -33.088 -8.828 -5.503 1.00 0.00 WAT +ATOM 34392 H1 TIP3 9361 -33.899 -9.336 -5.329 1.00 0.00 WAT +ATOM 34393 H2 TIP3 9361 -32.478 -9.561 -5.691 1.00 0.00 WAT +ATOM 34394 OH2 TIP3 9362 -30.735 -9.574 12.140 1.00 0.00 WAT +ATOM 34395 H1 TIP3 9362 -31.081 -10.482 12.166 1.00 0.00 WAT +ATOM 34396 H2 TIP3 9362 -29.820 -9.712 12.423 1.00 0.00 WAT +ATOM 34397 OH2 TIP3 9363 -28.769 -9.095 -5.664 1.00 0.00 WAT +ATOM 34398 H1 TIP3 9363 -28.637 -9.640 -4.867 1.00 0.00 WAT +ATOM 34399 H2 TIP3 9363 -27.899 -8.674 -5.784 1.00 0.00 WAT +ATOM 34400 OH2 TIP3 9364 -42.026 -13.158 12.166 1.00 0.00 WAT +ATOM 34401 H1 TIP3 9364 -41.854 -14.013 11.742 1.00 0.00 WAT +ATOM 34402 H2 TIP3 9364 -42.826 -12.856 11.713 1.00 0.00 WAT +ATOM 34403 OH2 TIP3 9365 -37.378 -13.274 -4.928 1.00 0.00 WAT +ATOM 34404 H1 TIP3 9365 -37.916 -14.060 -5.103 1.00 0.00 WAT +ATOM 34405 H2 TIP3 9365 -36.901 -13.165 -5.785 1.00 0.00 WAT +ATOM 34406 OH2 TIP3 9366 -35.423 -13.309 11.911 1.00 0.00 WAT +ATOM 34407 H1 TIP3 9366 -35.642 -12.942 11.035 1.00 0.00 WAT +ATOM 34408 H2 TIP3 9366 -35.300 -14.260 11.717 1.00 0.00 WAT +ATOM 34409 OH2 TIP3 9367 -32.651 -11.704 -5.852 1.00 0.00 WAT +ATOM 34410 H1 TIP3 9367 -32.539 -11.758 -4.887 1.00 0.00 WAT +ATOM 34411 H2 TIP3 9367 -32.528 -12.645 -6.090 1.00 0.00 WAT +ATOM 34412 OH2 TIP3 9368 -41.365 -16.469 11.867 1.00 0.00 WAT +ATOM 34413 H1 TIP3 9368 -40.547 -16.985 11.725 1.00 0.00 WAT +ATOM 34414 H2 TIP3 9368 -41.213 -16.137 12.764 1.00 0.00 WAT +ATOM 34415 OH2 TIP3 9369 -37.552 -17.237 9.090 1.00 0.00 WAT +ATOM 34416 H1 TIP3 9369 -38.032 -16.419 9.317 1.00 0.00 WAT +ATOM 34417 H2 TIP3 9369 -36.820 -16.886 8.546 1.00 0.00 WAT +ATOM 34418 OH2 TIP3 9370 -35.633 -16.389 -4.608 1.00 0.00 WAT +ATOM 34419 H1 TIP3 9370 -35.820 -16.602 -5.540 1.00 0.00 WAT +ATOM 34420 H2 TIP3 9370 -34.726 -16.745 -4.524 1.00 0.00 WAT +ATOM 34421 OH2 TIP3 9371 -32.145 -14.497 12.757 1.00 0.00 WAT +ATOM 34422 H1 TIP3 9371 -31.288 -14.659 12.342 1.00 0.00 WAT +ATOM 34423 H2 TIP3 9371 -32.397 -15.382 13.055 1.00 0.00 WAT +ATOM 34424 OH2 TIP3 9372 -26.383 -14.434 -5.567 1.00 0.00 WAT +ATOM 34425 H1 TIP3 9372 -26.385 -14.815 -6.463 1.00 0.00 WAT +ATOM 34426 H2 TIP3 9372 -25.994 -13.565 -5.744 1.00 0.00 WAT +ATOM 34427 OH2 TIP3 9373 -36.951 -19.950 10.306 1.00 0.00 WAT +ATOM 34428 H1 TIP3 9373 -36.820 -20.600 9.588 1.00 0.00 WAT +ATOM 34429 H2 TIP3 9373 -37.087 -19.134 9.796 1.00 0.00 WAT +ATOM 34430 OH2 TIP3 9374 -36.573 -21.456 7.762 1.00 0.00 WAT +ATOM 34431 H1 TIP3 9374 -36.024 -20.944 7.132 1.00 0.00 WAT +ATOM 34432 H2 TIP3 9374 -37.465 -21.420 7.362 1.00 0.00 WAT +ATOM 34433 OH2 TIP3 9375 -35.042 -16.040 8.149 1.00 0.00 WAT +ATOM 34434 H1 TIP3 9375 -34.174 -16.115 7.713 1.00 0.00 WAT +ATOM 34435 H2 TIP3 9375 -35.309 -15.149 7.843 1.00 0.00 WAT +ATOM 34436 OH2 TIP3 9376 -30.405 -18.038 12.988 1.00 0.00 WAT +ATOM 34437 H1 TIP3 9376 -30.224 -18.988 12.955 1.00 0.00 WAT +ATOM 34438 H2 TIP3 9376 -29.506 -17.698 12.841 1.00 0.00 WAT +ATOM 34439 OH2 TIP3 9377 -29.183 -14.943 11.065 1.00 0.00 WAT +ATOM 34440 H1 TIP3 9377 -29.374 -14.216 10.452 1.00 0.00 WAT +ATOM 34441 H2 TIP3 9377 -28.271 -15.168 10.828 1.00 0.00 WAT +ATOM 34442 OH2 TIP3 9378 -38.826 -18.029 12.051 1.00 0.00 WAT +ATOM 34443 H1 TIP3 9378 -39.298 -18.881 12.060 1.00 0.00 WAT +ATOM 34444 H2 TIP3 9378 -37.983 -18.274 11.640 1.00 0.00 WAT +ATOM 34445 OH2 TIP3 9379 -35.871 -24.142 8.117 1.00 0.00 WAT +ATOM 34446 H1 TIP3 9379 -36.016 -23.189 7.935 1.00 0.00 WAT +ATOM 34447 H2 TIP3 9379 -36.562 -24.551 7.562 1.00 0.00 WAT +ATOM 34448 OH2 TIP3 9380 -34.593 -19.560 11.904 1.00 0.00 WAT +ATOM 34449 H1 TIP3 9380 -34.944 -19.785 12.783 1.00 0.00 WAT +ATOM 34450 H2 TIP3 9380 -35.376 -19.758 11.351 1.00 0.00 WAT +ATOM 34451 OH2 TIP3 9381 -32.041 -20.496 10.785 1.00 0.00 WAT +ATOM 34452 H1 TIP3 9381 -32.931 -20.496 11.179 1.00 0.00 WAT +ATOM 34453 H2 TIP3 9381 -31.572 -21.154 11.335 1.00 0.00 WAT +ATOM 34454 OH2 TIP3 9382 -30.260 -22.025 12.475 1.00 0.00 WAT +ATOM 34455 H1 TIP3 9382 -30.348 -22.986 12.636 1.00 0.00 WAT +ATOM 34456 H2 TIP3 9382 -30.367 -21.637 13.361 1.00 0.00 WAT +ATOM 34457 OH2 TIP3 9383 -40.191 -20.588 11.915 1.00 0.00 WAT +ATOM 34458 H1 TIP3 9383 -40.143 -21.319 11.278 1.00 0.00 WAT +ATOM 34459 H2 TIP3 9383 -40.316 -21.064 12.758 1.00 0.00 WAT +ATOM 34460 OH2 TIP3 9384 -36.007 -24.643 10.913 1.00 0.00 WAT +ATOM 34461 H1 TIP3 9384 -35.413 -25.410 10.965 1.00 0.00 WAT +ATOM 34462 H2 TIP3 9384 -36.033 -24.499 9.945 1.00 0.00 WAT +ATOM 34463 OH2 TIP3 9385 -35.078 -22.803 12.792 1.00 0.00 WAT +ATOM 34464 H1 TIP3 9385 -35.335 -23.386 12.047 1.00 0.00 WAT +ATOM 34465 H2 TIP3 9385 -35.757 -22.116 12.762 1.00 0.00 WAT +ATOM 34466 OH2 TIP3 9386 -36.007 -5.846 -3.769 1.00 0.00 WAT +ATOM 34467 H1 TIP3 9386 -35.089 -5.677 -3.518 1.00 0.00 WAT +ATOM 34468 H2 TIP3 9386 -36.087 -5.285 -4.550 1.00 0.00 WAT +ATOM 34469 OH2 TIP3 9387 -41.985 -10.936 -4.514 1.00 0.00 WAT +ATOM 34470 H1 TIP3 9387 -41.211 -11.004 -3.933 1.00 0.00 WAT +ATOM 34471 H2 TIP3 9387 -42.107 -11.840 -4.840 1.00 0.00 WAT +ATOM 34472 OH2 TIP3 9388 -42.738 -8.092 2.441 1.00 0.00 WAT +ATOM 34473 H1 TIP3 9388 -42.763 -8.962 2.873 1.00 0.00 WAT +ATOM 34474 H2 TIP3 9388 -42.396 -7.553 3.171 1.00 0.00 WAT +ATOM 34475 OH2 TIP3 9389 -25.486 -13.036 -1.599 1.00 0.00 WAT +ATOM 34476 H1 TIP3 9389 -24.696 -12.573 -1.289 1.00 0.00 WAT +ATOM 34477 H2 TIP3 9389 -25.668 -13.610 -0.837 1.00 0.00 WAT +ATOM 34478 OH2 TIP3 9390 -25.163 -15.232 0.478 1.00 0.00 WAT +ATOM 34479 H1 TIP3 9390 -25.914 -15.719 0.855 1.00 0.00 WAT +ATOM 34480 H2 TIP3 9390 -24.598 -15.070 1.266 1.00 0.00 WAT +ATOM 34481 OH2 TIP3 9391 -25.141 -15.589 -3.061 1.00 0.00 WAT +ATOM 34482 H1 TIP3 9391 -25.586 -15.251 -3.858 1.00 0.00 WAT +ATOM 34483 H2 TIP3 9391 -25.167 -14.805 -2.485 1.00 0.00 WAT +ATOM 34484 OH2 TIP3 9392 -27.094 -18.025 -4.857 1.00 0.00 WAT +ATOM 34485 H1 TIP3 9392 -26.569 -17.517 -5.491 1.00 0.00 WAT +ATOM 34486 H2 TIP3 9392 -27.121 -18.915 -5.257 1.00 0.00 WAT +ATOM 34487 OH2 TIP3 9393 -27.551 -16.963 1.167 1.00 0.00 WAT +ATOM 34488 H1 TIP3 9393 -27.515 -17.928 1.088 1.00 0.00 WAT +ATOM 34489 H2 TIP3 9393 -27.828 -16.842 2.098 1.00 0.00 WAT +ATOM 34490 OH2 TIP3 9394 -42.552 -14.506 5.178 1.00 0.00 WAT +ATOM 34491 H1 TIP3 9394 -42.199 -14.256 4.309 1.00 0.00 WAT +ATOM 34492 H2 TIP3 9394 -41.749 -14.905 5.582 1.00 0.00 WAT +ATOM 34493 OH2 TIP3 9395 -25.783 -16.652 11.451 1.00 0.00 WAT +ATOM 34494 H1 TIP3 9395 -26.163 -17.435 11.031 1.00 0.00 WAT +ATOM 34495 H2 TIP3 9395 -24.833 -16.712 11.214 1.00 0.00 WAT +ATOM 34496 OH2 TIP3 9396 -27.396 -20.784 -5.560 1.00 0.00 WAT +ATOM 34497 H1 TIP3 9396 -26.755 -21.240 -4.978 1.00 0.00 WAT +ATOM 34498 H2 TIP3 9396 -28.168 -21.364 -5.546 1.00 0.00 WAT +ATOM 34499 OH2 TIP3 9397 -27.714 -19.546 -0.522 1.00 0.00 WAT +ATOM 34500 H1 TIP3 9397 -27.378 -20.469 -0.499 1.00 0.00 WAT +ATOM 34501 H2 TIP3 9397 -26.933 -19.092 -0.897 1.00 0.00 WAT +ATOM 34502 OH2 TIP3 9398 -27.126 -18.748 4.782 1.00 0.00 WAT +ATOM 34503 H1 TIP3 9398 -26.185 -18.551 4.657 1.00 0.00 WAT +ATOM 34504 H2 TIP3 9398 -27.198 -18.711 5.751 1.00 0.00 WAT +ATOM 34505 OH2 TIP3 9399 -27.070 -17.893 7.599 1.00 0.00 WAT +ATOM 34506 H1 TIP3 9399 -27.949 -17.552 7.838 1.00 0.00 WAT +ATOM 34507 H2 TIP3 9399 -26.566 -17.082 7.444 1.00 0.00 WAT +ATOM 34508 OH2 TIP3 9400 -42.858 -19.549 11.264 1.00 0.00 WAT +ATOM 34509 H1 TIP3 9400 -41.952 -19.903 11.266 1.00 0.00 WAT +ATOM 34510 H2 TIP3 9400 -43.402 -20.327 11.447 1.00 0.00 WAT +ATOM 34511 OH2 TIP3 9401 -24.657 -24.052 12.926 1.00 0.00 WAT +ATOM 34512 H1 TIP3 9401 -24.232 -24.720 12.356 1.00 0.00 WAT +ATOM 34513 H2 TIP3 9401 -24.612 -23.258 12.355 1.00 0.00 WAT +ATOM 34514 OH2 TIP3 9402 -27.116 -22.289 -0.647 1.00 0.00 WAT +ATOM 34515 H1 TIP3 9402 -26.912 -22.626 0.246 1.00 0.00 WAT +ATOM 34516 H2 TIP3 9402 -27.914 -22.803 -0.879 1.00 0.00 WAT +ATOM 34517 OH2 TIP3 9403 -41.947 -20.992 4.379 1.00 0.00 WAT +ATOM 34518 H1 TIP3 9403 -41.596 -21.897 4.403 1.00 0.00 WAT +ATOM 34519 H2 TIP3 9403 -41.151 -20.467 4.585 1.00 0.00 WAT +ATOM 34520 OH2 TIP3 9404 -43.345 -18.377 5.269 1.00 0.00 WAT +ATOM 34521 H1 TIP3 9404 -42.882 -18.922 4.615 1.00 0.00 WAT +ATOM 34522 H2 TIP3 9404 -43.053 -17.496 5.005 1.00 0.00 WAT +ATOM 34523 OH2 TIP3 9405 -25.274 -21.984 11.206 1.00 0.00 WAT +ATOM 34524 H1 TIP3 9405 -26.144 -21.548 11.172 1.00 0.00 WAT +ATOM 34525 H2 TIP3 9405 -25.312 -22.509 10.387 1.00 0.00 WAT +ATOM 34526 OH2 TIP3 9406 -25.195 -21.730 -4.058 1.00 0.00 WAT +ATOM 34527 H1 TIP3 9406 -24.792 -22.542 -4.397 1.00 0.00 WAT +ATOM 34528 H2 TIP3 9406 -24.421 -21.200 -3.783 1.00 0.00 WAT +ATOM 34529 OH2 TIP3 9407 -43.163 -22.263 -1.180 1.00 0.00 WAT +ATOM 34530 H1 TIP3 9407 -43.983 -22.020 -1.639 1.00 0.00 WAT +ATOM 34531 H2 TIP3 9407 -42.540 -21.599 -1.560 1.00 0.00 WAT +ATOM 34532 OH2 TIP3 9408 -42.914 -23.258 7.152 1.00 0.00 WAT +ATOM 34533 H1 TIP3 9408 -43.593 -23.376 7.860 1.00 0.00 WAT +ATOM 34534 H2 TIP3 9408 -43.393 -22.844 6.421 1.00 0.00 WAT +ATOM 34535 OH2 TIP3 9409 -41.200 -9.749 11.839 1.00 0.00 WAT +ATOM 34536 H1 TIP3 9409 -41.639 -10.390 11.272 1.00 0.00 WAT +ATOM 34537 H2 TIP3 9409 -41.373 -10.118 12.735 1.00 0.00 WAT +ATOM 34538 OH2 TIP3 9410 -38.017 -9.071 7.739 1.00 0.00 WAT +ATOM 34539 H1 TIP3 9410 -38.292 -8.236 7.316 1.00 0.00 WAT +ATOM 34540 H2 TIP3 9410 -37.058 -9.020 7.527 1.00 0.00 WAT +ATOM 34541 OH2 TIP3 9411 -33.608 -7.702 10.799 1.00 0.00 WAT +ATOM 34542 H1 TIP3 9411 -33.312 -8.035 11.655 1.00 0.00 WAT +ATOM 34543 H2 TIP3 9411 -32.759 -7.393 10.412 1.00 0.00 WAT +ATOM 34544 OH2 TIP3 9412 -31.194 -6.740 9.964 1.00 0.00 WAT +ATOM 34545 H1 TIP3 9412 -30.472 -7.299 9.642 1.00 0.00 WAT +ATOM 34546 H2 TIP3 9412 -30.765 -6.227 10.663 1.00 0.00 WAT +ATOM 34547 OH2 TIP3 9413 -26.426 -23.775 9.194 1.00 0.00 WAT +ATOM 34548 H1 TIP3 9413 -27.188 -23.542 8.638 1.00 0.00 WAT +ATOM 34549 H2 TIP3 9413 -26.180 -24.656 8.838 1.00 0.00 WAT +ATOM 34550 OH2 TIP3 9414 -40.725 -6.063 7.985 1.00 0.00 WAT +ATOM 34551 H1 TIP3 9414 -41.385 -5.551 7.481 1.00 0.00 WAT +ATOM 34552 H2 TIP3 9414 -41.061 -5.981 8.882 1.00 0.00 WAT +ATOM 34553 OH2 TIP3 9415 -38.210 -6.375 6.659 1.00 0.00 WAT +ATOM 34554 H1 TIP3 9415 -39.073 -6.120 7.036 1.00 0.00 WAT +ATOM 34555 H2 TIP3 9415 -38.175 -5.881 5.829 1.00 0.00 WAT +ATOM 34556 OH2 TIP3 9416 -32.782 -6.078 6.079 1.00 0.00 WAT +ATOM 34557 H1 TIP3 9416 -33.445 -6.393 5.453 1.00 0.00 WAT +ATOM 34558 H2 TIP3 9416 -33.265 -5.870 6.874 1.00 0.00 WAT +ATOM 34559 OH2 TIP3 9417 -41.193 -7.375 4.899 1.00 0.00 WAT +ATOM 34560 H1 TIP3 9417 -41.270 -7.793 5.779 1.00 0.00 WAT +ATOM 34561 H2 TIP3 9417 -40.368 -7.781 4.568 1.00 0.00 WAT +ATOM 34562 OH2 TIP3 9418 -38.900 -8.509 3.572 1.00 0.00 WAT +ATOM 34563 H1 TIP3 9418 -38.957 -9.442 3.849 1.00 0.00 WAT +ATOM 34564 H2 TIP3 9418 -37.967 -8.288 3.777 1.00 0.00 WAT +ATOM 34565 OH2 TIP3 9419 -32.986 -22.265 3.599 1.00 0.00 WAT +ATOM 34566 H1 TIP3 9419 -33.662 -22.955 3.741 1.00 0.00 WAT +ATOM 34567 H2 TIP3 9419 -32.336 -22.732 3.047 1.00 0.00 WAT +ATOM 34568 OH2 TIP3 9420 -28.018 -24.236 4.084 1.00 0.00 WAT +ATOM 34569 H1 TIP3 9420 -27.239 -23.807 3.687 1.00 0.00 WAT +ATOM 34570 H2 TIP3 9420 -28.741 -23.917 3.524 1.00 0.00 WAT +ATOM 34571 OH2 TIP3 9421 -25.972 -23.152 1.899 1.00 0.00 WAT +ATOM 34572 H1 TIP3 9421 -25.212 -23.588 1.467 1.00 0.00 WAT +ATOM 34573 H2 TIP3 9421 -25.599 -22.253 2.028 1.00 0.00 WAT +ATOM 34574 OH2 TIP3 9422 -41.083 -23.690 1.163 1.00 0.00 WAT +ATOM 34575 H1 TIP3 9422 -41.800 -23.991 0.591 1.00 0.00 WAT +ATOM 34576 H2 TIP3 9422 -40.451 -24.427 1.063 1.00 0.00 WAT +ATOM 34577 OH2 TIP3 9423 -41.820 -24.081 -3.032 1.00 0.00 WAT +ATOM 34578 H1 TIP3 9423 -41.300 -23.417 -3.528 1.00 0.00 WAT +ATOM 34579 H2 TIP3 9423 -42.329 -23.514 -2.429 1.00 0.00 WAT +ATOM 34580 OH2 TIP3 9424 -36.175 -23.715 1.078 1.00 0.00 WAT +ATOM 34581 H1 TIP3 9424 -35.269 -23.413 0.891 1.00 0.00 WAT +ATOM 34582 H2 TIP3 9424 -36.134 -23.829 2.035 1.00 0.00 WAT +ATOM 34583 OH2 TIP3 9425 -30.608 -23.669 2.438 1.00 0.00 WAT +ATOM 34584 H1 TIP3 9425 -30.262 -23.839 1.551 1.00 0.00 WAT +ATOM 34585 H2 TIP3 9425 -30.920 -24.553 2.703 1.00 0.00 WAT +ATOM 34586 OH2 TIP3 9426 -29.459 -23.689 -1.514 1.00 0.00 WAT +ATOM 34587 H1 TIP3 9426 -30.280 -23.201 -1.704 1.00 0.00 WAT +ATOM 34588 H2 TIP3 9426 -29.794 -24.596 -1.407 1.00 0.00 WAT +ATOM 34589 OH2 TIP3 9427 -41.917 -8.072 -1.987 1.00 0.00 WAT +ATOM 34590 H1 TIP3 9427 -42.526 -8.194 -2.722 1.00 0.00 WAT +ATOM 34591 H2 TIP3 9427 -41.792 -7.114 -1.990 1.00 0.00 WAT +ATOM 34592 OH2 TIP3 9428 -40.058 -22.202 -4.488 1.00 0.00 WAT +ATOM 34593 H1 TIP3 9428 -39.483 -22.786 -5.012 1.00 0.00 WAT +ATOM 34594 H2 TIP3 9428 -39.436 -21.906 -3.794 1.00 0.00 WAT +ATOM 34595 OH2 TIP3 9429 -35.007 -22.044 -1.876 1.00 0.00 WAT +ATOM 34596 H1 TIP3 9429 -34.625 -22.636 -1.208 1.00 0.00 WAT +ATOM 34597 H2 TIP3 9429 -34.766 -21.185 -1.492 1.00 0.00 WAT +ATOM 34598 OH2 TIP3 9430 -32.895 -6.324 -3.681 1.00 0.00 WAT +ATOM 34599 H1 TIP3 9430 -31.920 -6.285 -3.711 1.00 0.00 WAT +ATOM 34600 H2 TIP3 9430 -33.072 -6.946 -4.402 1.00 0.00 WAT +ATOM 34601 OH2 TIP3 9431 -26.482 -7.268 -0.632 1.00 0.00 WAT +ATOM 34602 H1 TIP3 9431 -26.480 -8.041 -1.200 1.00 0.00 WAT +ATOM 34603 H2 TIP3 9431 -26.063 -6.579 -1.150 1.00 0.00 WAT +ATOM 34604 OH2 TIP3 9432 -40.798 -23.290 10.694 1.00 0.00 WAT +ATOM 34605 H1 TIP3 9432 -41.242 -24.060 11.087 1.00 0.00 WAT +ATOM 34606 H2 TIP3 9432 -39.877 -23.454 10.964 1.00 0.00 WAT +ATOM 34607 OH2 TIP3 9433 -38.440 -23.921 12.445 1.00 0.00 WAT +ATOM 34608 H1 TIP3 9433 -37.616 -24.266 12.043 1.00 0.00 WAT +ATOM 34609 H2 TIP3 9433 -38.770 -24.721 12.893 1.00 0.00 WAT +ATOM 34610 OH2 TIP3 9434 -40.160 -7.130 -4.999 1.00 0.00 WAT +ATOM 34611 H1 TIP3 9434 -40.398 -6.875 -4.097 1.00 0.00 WAT +ATOM 34612 H2 TIP3 9434 -39.346 -7.648 -4.864 1.00 0.00 WAT +ATOM 34613 OH2 TIP3 9435 -30.302 -24.823 12.625 1.00 0.00 WAT +ATOM 34614 H1 TIP3 9435 -30.247 -25.242 13.505 1.00 0.00 WAT +ATOM 34615 H2 TIP3 9435 -29.370 -24.863 12.337 1.00 0.00 WAT +ATOM 34616 OH2 TIP3 9436 -23.488 -17.758 0.282 1.00 0.00 WAT +ATOM 34617 H1 TIP3 9436 -23.975 -16.919 0.278 1.00 0.00 WAT +ATOM 34618 H2 TIP3 9436 -24.117 -18.364 -0.119 1.00 0.00 WAT +ATOM 34619 OH2 TIP3 9437 -23.055 -15.322 2.325 1.00 0.00 WAT +ATOM 34620 H1 TIP3 9437 -22.936 -15.983 3.025 1.00 0.00 WAT +ATOM 34621 H2 TIP3 9437 -22.237 -15.374 1.826 1.00 0.00 WAT +ATOM 34622 OH2 TIP3 9438 -6.608 -21.483 5.728 1.00 0.00 WAT +ATOM 34623 H1 TIP3 9438 -6.661 -20.800 6.415 1.00 0.00 WAT +ATOM 34624 H2 TIP3 9438 -6.217 -20.997 4.984 1.00 0.00 WAT +ATOM 34625 OH2 TIP3 9439 -11.658 -20.354 1.291 1.00 0.00 WAT +ATOM 34626 H1 TIP3 9439 -11.010 -20.914 1.745 1.00 0.00 WAT +ATOM 34627 H2 TIP3 9439 -11.242 -20.210 0.443 1.00 0.00 WAT +ATOM 34628 OH2 TIP3 9440 -22.883 -18.166 3.414 1.00 0.00 WAT +ATOM 34629 H1 TIP3 9440 -22.135 -18.025 4.006 1.00 0.00 WAT +ATOM 34630 H2 TIP3 9440 -22.524 -18.219 2.521 1.00 0.00 WAT +ATOM 34631 OH2 TIP3 9441 -6.418 -20.067 8.323 1.00 0.00 WAT +ATOM 34632 H1 TIP3 9441 -6.845 -19.236 8.050 1.00 0.00 WAT +ATOM 34633 H2 TIP3 9441 -6.252 -19.887 9.262 1.00 0.00 WAT +ATOM 34634 OH2 TIP3 9442 -20.445 -21.427 6.605 1.00 0.00 WAT +ATOM 34635 H1 TIP3 9442 -20.539 -20.638 6.067 1.00 0.00 WAT +ATOM 34636 H2 TIP3 9442 -20.922 -21.186 7.412 1.00 0.00 WAT +ATOM 34637 OH2 TIP3 9443 -9.236 -21.142 3.110 1.00 0.00 WAT +ATOM 34638 H1 TIP3 9443 -9.948 -21.483 3.673 1.00 0.00 WAT +ATOM 34639 H2 TIP3 9443 -8.895 -20.401 3.637 1.00 0.00 WAT +ATOM 34640 OH2 TIP3 9444 -9.386 -21.922 6.817 1.00 0.00 WAT +ATOM 34641 H1 TIP3 9444 -10.167 -21.554 6.356 1.00 0.00 WAT +ATOM 34642 H2 TIP3 9444 -8.685 -21.754 6.166 1.00 0.00 WAT +ATOM 34643 OH2 TIP3 9445 -16.161 -24.223 3.824 1.00 0.00 WAT +ATOM 34644 H1 TIP3 9445 -16.420 -25.151 3.730 1.00 0.00 WAT +ATOM 34645 H2 TIP3 9445 -16.996 -23.796 4.089 1.00 0.00 WAT +ATOM 34646 OH2 TIP3 9446 -18.698 -23.060 4.813 1.00 0.00 WAT +ATOM 34647 H1 TIP3 9446 -19.534 -23.126 4.320 1.00 0.00 WAT +ATOM 34648 H2 TIP3 9446 -18.885 -22.297 5.387 1.00 0.00 WAT +ATOM 34649 OH2 TIP3 9447 -14.366 -23.766 8.512 1.00 0.00 WAT +ATOM 34650 H1 TIP3 9447 -13.918 -24.242 9.232 1.00 0.00 WAT +ATOM 34651 H2 TIP3 9447 -15.314 -23.940 8.653 1.00 0.00 WAT +ATOM 34652 OH2 TIP3 9448 -12.504 -18.023 2.578 1.00 0.00 WAT +ATOM 34653 H1 TIP3 9448 -12.817 -17.660 1.754 1.00 0.00 WAT +ATOM 34654 H2 TIP3 9448 -12.517 -18.980 2.395 1.00 0.00 WAT +ATOM 34655 OH2 TIP3 9449 -24.511 -20.819 1.662 1.00 0.00 WAT +ATOM 34656 H1 TIP3 9449 -23.963 -20.567 2.424 1.00 0.00 WAT +ATOM 34657 H2 TIP3 9449 -23.851 -21.089 1.009 1.00 0.00 WAT +ATOM 34658 OH2 TIP3 9450 -23.291 -19.822 -2.783 1.00 0.00 WAT +ATOM 34659 H1 TIP3 9450 -22.631 -19.216 -3.155 1.00 0.00 WAT +ATOM 34660 H2 TIP3 9450 -23.922 -19.204 -2.372 1.00 0.00 WAT +ATOM 34661 OH2 TIP3 9451 -11.606 -21.451 4.937 1.00 0.00 WAT +ATOM 34662 H1 TIP3 9451 -12.176 -21.285 5.711 1.00 0.00 WAT +ATOM 34663 H2 TIP3 9451 -12.299 -21.582 4.262 1.00 0.00 WAT +ATOM 34664 OH2 TIP3 9452 -12.091 -10.684 9.479 1.00 0.00 WAT +ATOM 34665 H1 TIP3 9452 -12.729 -10.314 8.851 1.00 0.00 WAT +ATOM 34666 H2 TIP3 9452 -12.346 -10.344 10.331 1.00 0.00 WAT +ATOM 34667 OH2 TIP3 9453 -11.151 -14.804 4.987 1.00 0.00 WAT +ATOM 34668 H1 TIP3 9453 -11.840 -15.408 5.264 1.00 0.00 WAT +ATOM 34669 H2 TIP3 9453 -10.440 -15.384 4.677 1.00 0.00 WAT +ATOM 34670 OH2 TIP3 9454 -22.374 -15.732 -4.316 1.00 0.00 WAT +ATOM 34671 H1 TIP3 9454 -21.779 -15.159 -3.795 1.00 0.00 WAT +ATOM 34672 H2 TIP3 9454 -23.213 -15.604 -3.847 1.00 0.00 WAT +ATOM 34673 OH2 TIP3 9455 -12.251 -12.737 6.832 1.00 0.00 WAT +ATOM 34674 H1 TIP3 9455 -13.063 -13.008 7.248 1.00 0.00 WAT +ATOM 34675 H2 TIP3 9455 -11.791 -13.542 6.578 1.00 0.00 WAT +ATOM 34676 OH2 TIP3 9456 -22.156 -20.773 9.182 1.00 0.00 WAT +ATOM 34677 H1 TIP3 9456 -22.768 -20.332 8.574 1.00 0.00 WAT +ATOM 34678 H2 TIP3 9456 -22.379 -21.714 9.106 1.00 0.00 WAT +ATOM 34679 OH2 TIP3 9457 -21.095 -13.558 -2.690 1.00 0.00 WAT +ATOM 34680 H1 TIP3 9457 -21.600 -13.158 -1.978 1.00 0.00 WAT +ATOM 34681 H2 TIP3 9457 -20.395 -12.903 -2.819 1.00 0.00 WAT +ATOM 34682 OH2 TIP3 9458 -12.892 -21.516 7.585 1.00 0.00 WAT +ATOM 34683 H1 TIP3 9458 -12.795 -21.078 8.444 1.00 0.00 WAT +ATOM 34684 H2 TIP3 9458 -13.539 -22.208 7.809 1.00 0.00 WAT +ATOM 34685 OH2 TIP3 9459 -8.945 -20.708 9.716 1.00 0.00 WAT +ATOM 34686 H1 TIP3 9459 -9.843 -20.466 9.466 1.00 0.00 WAT +ATOM 34687 H2 TIP3 9459 -8.512 -20.763 8.853 1.00 0.00 WAT +ATOM 34688 OH2 TIP3 9460 -10.041 -16.971 3.239 1.00 0.00 WAT +ATOM 34689 H1 TIP3 9460 -10.907 -17.429 3.222 1.00 0.00 WAT +ATOM 34690 H2 TIP3 9460 -9.471 -17.584 3.715 1.00 0.00 WAT +ATOM 34691 OH2 TIP3 9461 -21.434 -23.515 3.976 1.00 0.00 WAT +ATOM 34692 H1 TIP3 9461 -21.601 -23.505 3.004 1.00 0.00 WAT +ATOM 34693 H2 TIP3 9461 -21.790 -24.382 4.232 1.00 0.00 WAT +ATOM 34694 OH2 TIP3 9462 -18.909 -13.305 -5.445 1.00 0.00 WAT +ATOM 34695 H1 TIP3 9462 -18.718 -13.795 -4.639 1.00 0.00 WAT +ATOM 34696 H2 TIP3 9462 -18.033 -13.020 -5.717 1.00 0.00 WAT +ATOM 34697 OH2 TIP3 9463 -10.332 -13.418 9.362 1.00 0.00 WAT +ATOM 34698 H1 TIP3 9463 -9.823 -12.696 8.974 1.00 0.00 WAT +ATOM 34699 H2 TIP3 9463 -11.220 -13.079 9.187 1.00 0.00 WAT +ATOM 34700 OH2 TIP3 9464 -22.963 -16.090 11.727 1.00 0.00 WAT +ATOM 34701 H1 TIP3 9464 -22.280 -16.470 11.155 1.00 0.00 WAT +ATOM 34702 H2 TIP3 9464 -22.520 -15.916 12.570 1.00 0.00 WAT +ATOM 34703 OH2 TIP3 9465 -17.556 -21.322 7.593 1.00 0.00 WAT +ATOM 34704 H1 TIP3 9465 -17.070 -20.574 7.219 1.00 0.00 WAT +ATOM 34705 H2 TIP3 9465 -18.460 -20.984 7.604 1.00 0.00 WAT +ATOM 34706 OH2 TIP3 9466 -17.182 -23.950 8.201 1.00 0.00 WAT +ATOM 34707 H1 TIP3 9466 -17.204 -22.987 7.969 1.00 0.00 WAT +ATOM 34708 H2 TIP3 9466 -17.790 -24.300 7.527 1.00 0.00 WAT +ATOM 34709 OH2 TIP3 9467 -15.625 -19.865 11.669 1.00 0.00 WAT +ATOM 34710 H1 TIP3 9467 -15.943 -19.580 12.534 1.00 0.00 WAT +ATOM 34711 H2 TIP3 9467 -16.327 -19.549 11.085 1.00 0.00 WAT +ATOM 34712 OH2 TIP3 9468 -13.053 -20.546 10.460 1.00 0.00 WAT +ATOM 34713 H1 TIP3 9468 -13.890 -20.261 10.880 1.00 0.00 WAT +ATOM 34714 H2 TIP3 9468 -12.550 -20.904 11.207 1.00 0.00 WAT +ATOM 34715 OH2 TIP3 9469 -11.214 -21.962 12.531 1.00 0.00 WAT +ATOM 34716 H1 TIP3 9469 -11.470 -22.884 12.701 1.00 0.00 WAT +ATOM 34717 H2 TIP3 9469 -11.459 -21.488 13.340 1.00 0.00 WAT +ATOM 34718 OH2 TIP3 9470 -20.671 -20.830 11.989 1.00 0.00 WAT +ATOM 34719 H1 TIP3 9470 -21.037 -20.848 11.087 1.00 0.00 WAT +ATOM 34720 H2 TIP3 9470 -21.450 -20.661 12.531 1.00 0.00 WAT +ATOM 34721 OH2 TIP3 9471 -17.102 -24.691 10.942 1.00 0.00 WAT +ATOM 34722 H1 TIP3 9471 -16.462 -25.410 10.811 1.00 0.00 WAT +ATOM 34723 H2 TIP3 9471 -17.245 -24.410 10.009 1.00 0.00 WAT +ATOM 34724 OH2 TIP3 9472 -16.335 -23.154 13.222 1.00 0.00 WAT +ATOM 34725 H1 TIP3 9472 -16.477 -23.488 12.308 1.00 0.00 WAT +ATOM 34726 H2 TIP3 9472 -16.816 -22.306 13.154 1.00 0.00 WAT +ATOM 34727 OH2 TIP3 9473 -6.637 -16.833 11.466 1.00 0.00 WAT +ATOM 34728 H1 TIP3 9473 -7.355 -17.361 11.117 1.00 0.00 WAT +ATOM 34729 H2 TIP3 9473 -5.860 -17.273 11.108 1.00 0.00 WAT +ATOM 34730 OH2 TIP3 9474 -8.174 -18.853 4.880 1.00 0.00 WAT +ATOM 34731 H1 TIP3 9474 -7.364 -18.341 4.735 1.00 0.00 WAT +ATOM 34732 H2 TIP3 9474 -8.428 -18.559 5.772 1.00 0.00 WAT +ATOM 34733 OH2 TIP3 9475 -8.390 -17.791 7.616 1.00 0.00 WAT +ATOM 34734 H1 TIP3 9475 -9.261 -17.464 7.881 1.00 0.00 WAT +ATOM 34735 H2 TIP3 9475 -7.925 -16.954 7.447 1.00 0.00 WAT +ATOM 34736 OH2 TIP3 9476 -23.787 -19.475 11.686 1.00 0.00 WAT +ATOM 34737 H1 TIP3 9476 -23.078 -19.404 11.030 1.00 0.00 WAT +ATOM 34738 H2 TIP3 9476 -24.248 -20.289 11.422 1.00 0.00 WAT +ATOM 34739 OH2 TIP3 9477 -5.795 -24.001 12.889 1.00 0.00 WAT +ATOM 34740 H1 TIP3 9477 -5.408 -24.661 12.289 1.00 0.00 WAT +ATOM 34741 H2 TIP3 9477 -5.835 -23.208 12.315 1.00 0.00 WAT +ATOM 34742 OH2 TIP3 9478 -22.982 -21.106 4.298 1.00 0.00 WAT +ATOM 34743 H1 TIP3 9478 -22.385 -21.880 4.308 1.00 0.00 WAT +ATOM 34744 H2 TIP3 9478 -22.391 -20.370 4.491 1.00 0.00 WAT +ATOM 34745 OH2 TIP3 9479 -6.614 -21.971 11.195 1.00 0.00 WAT +ATOM 34746 H1 TIP3 9479 -7.443 -21.452 11.191 1.00 0.00 WAT +ATOM 34747 H2 TIP3 9479 -6.725 -22.457 10.356 1.00 0.00 WAT +ATOM 34748 OH2 TIP3 9480 -23.970 -22.277 -1.020 1.00 0.00 WAT +ATOM 34749 H1 TIP3 9480 -24.893 -21.999 -1.072 1.00 0.00 WAT +ATOM 34750 H2 TIP3 9480 -23.477 -21.551 -1.432 1.00 0.00 WAT +ATOM 34751 OH2 TIP3 9481 -23.988 -23.257 7.373 1.00 0.00 WAT +ATOM 34752 H1 TIP3 9481 -24.713 -23.428 7.986 1.00 0.00 WAT +ATOM 34753 H2 TIP3 9481 -24.414 -22.685 6.713 1.00 0.00 WAT +ATOM 34754 OH2 TIP3 9482 -7.593 -23.697 9.184 1.00 0.00 WAT +ATOM 34755 H1 TIP3 9482 -8.355 -23.415 8.647 1.00 0.00 WAT +ATOM 34756 H2 TIP3 9482 -7.388 -24.572 8.798 1.00 0.00 WAT +ATOM 34757 OH2 TIP3 9483 -14.031 -22.265 3.474 1.00 0.00 WAT +ATOM 34758 H1 TIP3 9483 -14.820 -22.832 3.470 1.00 0.00 WAT +ATOM 34759 H2 TIP3 9483 -13.563 -22.546 2.680 1.00 0.00 WAT +ATOM 34760 OH2 TIP3 9484 -9.051 -24.302 3.884 1.00 0.00 WAT +ATOM 34761 H1 TIP3 9484 -8.384 -23.760 3.418 1.00 0.00 WAT +ATOM 34762 H2 TIP3 9484 -9.875 -23.939 3.498 1.00 0.00 WAT +ATOM 34763 OH2 TIP3 9485 -7.079 -23.181 1.920 1.00 0.00 WAT +ATOM 34764 H1 TIP3 9485 -6.481 -23.499 1.231 1.00 0.00 WAT +ATOM 34765 H2 TIP3 9485 -7.036 -22.216 1.865 1.00 0.00 WAT +ATOM 34766 OH2 TIP3 9486 -21.767 -23.469 1.293 1.00 0.00 WAT +ATOM 34767 H1 TIP3 9486 -22.470 -23.483 0.620 1.00 0.00 WAT +ATOM 34768 H2 TIP3 9486 -21.114 -24.058 0.895 1.00 0.00 WAT +ATOM 34769 OH2 TIP3 9487 -11.442 -23.875 2.424 1.00 0.00 WAT +ATOM 34770 H1 TIP3 9487 -11.602 -23.753 1.456 1.00 0.00 WAT +ATOM 34771 H2 TIP3 9487 -12.146 -24.499 2.651 1.00 0.00 WAT +ATOM 34772 OH2 TIP3 9488 -22.068 -23.367 10.626 1.00 0.00 WAT +ATOM 34773 H1 TIP3 9488 -22.309 -24.171 11.109 1.00 0.00 WAT +ATOM 34774 H2 TIP3 9488 -21.181 -23.167 10.960 1.00 0.00 WAT +ATOM 34775 OH2 TIP3 9489 -19.508 -23.955 12.572 1.00 0.00 WAT +ATOM 34776 H1 TIP3 9489 -18.759 -24.256 12.023 1.00 0.00 WAT +ATOM 34777 H2 TIP3 9489 -20.016 -24.761 12.716 1.00 0.00 WAT +ATOM 34778 OH2 TIP3 9490 -11.438 -24.784 12.625 1.00 0.00 WAT +ATOM 34779 H1 TIP3 9490 -11.396 -25.168 13.515 1.00 0.00 WAT +ATOM 34780 H2 TIP3 9490 -10.498 -24.773 12.361 1.00 0.00 WAT +ATOM 34781 OH2 TIP3 9491 12.152 -21.097 5.890 1.00 0.00 WAT +ATOM 34782 H1 TIP3 9491 12.112 -20.302 6.438 1.00 0.00 WAT +ATOM 34783 H2 TIP3 9491 12.738 -20.815 5.161 1.00 0.00 WAT +ATOM 34784 OH2 TIP3 9492 7.547 -20.791 0.616 1.00 0.00 WAT +ATOM 34785 H1 TIP3 9492 7.976 -20.816 1.484 1.00 0.00 WAT +ATOM 34786 H2 TIP3 9492 7.854 -19.935 0.280 1.00 0.00 WAT +ATOM 34787 OH2 TIP3 9493 -4.084 -18.030 3.366 1.00 0.00 WAT +ATOM 34788 H1 TIP3 9493 -3.294 -18.123 3.891 1.00 0.00 WAT +ATOM 34789 H2 TIP3 9493 -3.788 -18.062 2.457 1.00 0.00 WAT +ATOM 34790 OH2 TIP3 9494 1.373 -16.613 3.200 1.00 0.00 WAT +ATOM 34791 H1 TIP3 9494 2.330 -16.641 3.356 1.00 0.00 WAT +ATOM 34792 H2 TIP3 9494 1.286 -16.832 2.269 1.00 0.00 WAT +ATOM 34793 OH2 TIP3 9495 -1.119 -21.641 6.817 1.00 0.00 WAT +ATOM 34794 H1 TIP3 9495 -1.430 -20.945 6.221 1.00 0.00 WAT +ATOM 34795 H2 TIP3 9495 -1.751 -21.548 7.558 1.00 0.00 WAT +ATOM 34796 OH2 TIP3 9496 9.472 -21.273 3.190 1.00 0.00 WAT +ATOM 34797 H1 TIP3 9496 8.990 -21.607 3.950 1.00 0.00 WAT +ATOM 34798 H2 TIP3 9496 9.806 -20.420 3.528 1.00 0.00 WAT +ATOM 34799 OH2 TIP3 9497 -1.362 -19.559 4.732 1.00 0.00 WAT +ATOM 34800 H1 TIP3 9497 -0.889 -18.754 4.975 1.00 0.00 WAT +ATOM 34801 H2 TIP3 9497 -0.929 -19.798 3.910 1.00 0.00 WAT +ATOM 34802 OH2 TIP3 9498 9.644 -22.193 6.677 1.00 0.00 WAT +ATOM 34803 H1 TIP3 9498 8.956 -21.582 6.998 1.00 0.00 WAT +ATOM 34804 H2 TIP3 9498 10.325 -21.581 6.342 1.00 0.00 WAT +ATOM 34805 OH2 TIP3 9499 2.721 -24.278 3.847 1.00 0.00 WAT +ATOM 34806 H1 TIP3 9499 2.424 -25.203 3.867 1.00 0.00 WAT +ATOM 34807 H2 TIP3 9499 1.917 -23.795 4.113 1.00 0.00 WAT +ATOM 34808 OH2 TIP3 9500 5.387 -17.856 -3.868 1.00 0.00 WAT +ATOM 34809 H1 TIP3 9500 5.549 -16.959 -3.568 1.00 0.00 WAT +ATOM 34810 H2 TIP3 9500 5.149 -17.726 -4.789 1.00 0.00 WAT +ATOM 34811 OH2 TIP3 9501 1.129 -11.360 10.133 1.00 0.00 WAT +ATOM 34812 H1 TIP3 9501 0.916 -10.451 10.364 1.00 0.00 WAT +ATOM 34813 H2 TIP3 9501 0.790 -11.409 9.239 1.00 0.00 WAT +ATOM 34814 OH2 TIP3 9502 10.523 -24.153 -3.182 1.00 0.00 WAT +ATOM 34815 H1 TIP3 9502 9.706 -23.857 -2.770 1.00 0.00 WAT +ATOM 34816 H2 TIP3 9502 10.982 -23.296 -3.307 1.00 0.00 WAT +ATOM 34817 OH2 TIP3 9503 -1.051 -15.643 -0.262 1.00 0.00 WAT +ATOM 34818 H1 TIP3 9503 -1.048 -14.751 -0.632 1.00 0.00 WAT +ATOM 34819 H2 TIP3 9503 -1.891 -16.001 -0.568 1.00 0.00 WAT +ATOM 34820 OH2 TIP3 9504 0.171 -22.812 4.465 1.00 0.00 WAT +ATOM 34821 H1 TIP3 9504 -0.751 -23.122 4.364 1.00 0.00 WAT +ATOM 34822 H2 TIP3 9504 0.103 -22.307 5.298 1.00 0.00 WAT +ATOM 34823 OH2 TIP3 9505 4.470 -21.162 -4.297 1.00 0.00 WAT +ATOM 34824 H1 TIP3 9505 3.861 -20.924 -3.593 1.00 0.00 WAT +ATOM 34825 H2 TIP3 9505 3.916 -21.700 -4.887 1.00 0.00 WAT +ATOM 34826 OH2 TIP3 9506 0.040 -18.727 1.100 1.00 0.00 WAT +ATOM 34827 H1 TIP3 9506 -0.862 -18.366 1.059 1.00 0.00 WAT +ATOM 34828 H2 TIP3 9506 0.388 -18.401 0.252 1.00 0.00 WAT +ATOM 34829 OH2 TIP3 9507 5.444 -17.613 -0.098 1.00 0.00 WAT +ATOM 34830 H1 TIP3 9507 5.180 -16.685 -0.159 1.00 0.00 WAT +ATOM 34831 H2 TIP3 9507 6.265 -17.643 -0.625 1.00 0.00 WAT +ATOM 34832 OH2 TIP3 9508 6.987 -18.212 2.430 1.00 0.00 WAT +ATOM 34833 H1 TIP3 9508 6.374 -17.599 2.013 1.00 0.00 WAT +ATOM 34834 H2 TIP3 9508 6.577 -19.062 2.285 1.00 0.00 WAT +ATOM 34835 OH2 TIP3 9509 0.861 -20.589 -5.162 1.00 0.00 WAT +ATOM 34836 H1 TIP3 9509 0.270 -21.185 -4.697 1.00 0.00 WAT +ATOM 34837 H2 TIP3 9509 0.221 -20.002 -5.611 1.00 0.00 WAT +ATOM 34838 OH2 TIP3 9510 -5.556 -20.416 1.584 1.00 0.00 WAT +ATOM 34839 H1 TIP3 9510 -5.155 -20.532 2.464 1.00 0.00 WAT +ATOM 34840 H2 TIP3 9510 -5.190 -21.135 1.056 1.00 0.00 WAT +ATOM 34841 OH2 TIP3 9511 -4.496 -20.330 -2.765 1.00 0.00 WAT +ATOM 34842 H1 TIP3 9511 -3.966 -19.955 -3.482 1.00 0.00 WAT +ATOM 34843 H2 TIP3 9511 -5.074 -19.593 -2.534 1.00 0.00 WAT +ATOM 34844 OH2 TIP3 9512 1.939 -20.929 2.227 1.00 0.00 WAT +ATOM 34845 H1 TIP3 9512 1.658 -20.209 2.807 1.00 0.00 WAT +ATOM 34846 H2 TIP3 9512 2.852 -21.066 2.559 1.00 0.00 WAT +ATOM 34847 OH2 TIP3 9513 -2.723 -19.450 0.695 1.00 0.00 WAT +ATOM 34848 H1 TIP3 9513 -3.597 -19.057 0.545 1.00 0.00 WAT +ATOM 34849 H2 TIP3 9513 -2.740 -20.165 0.055 1.00 0.00 WAT +ATOM 34850 OH2 TIP3 9514 0.969 -18.845 -1.775 1.00 0.00 WAT +ATOM 34851 H1 TIP3 9514 1.910 -18.819 -1.546 1.00 0.00 WAT +ATOM 34852 H2 TIP3 9514 0.913 -18.156 -2.458 1.00 0.00 WAT +ATOM 34853 OH2 TIP3 9515 7.062 -20.652 -3.557 1.00 0.00 WAT +ATOM 34854 H1 TIP3 9515 6.112 -20.602 -3.803 1.00 0.00 WAT +ATOM 34855 H2 TIP3 9515 7.181 -19.786 -3.130 1.00 0.00 WAT +ATOM 34856 OH2 TIP3 9516 7.799 -18.086 -2.001 1.00 0.00 WAT +ATOM 34857 H1 TIP3 9516 8.648 -18.402 -1.629 1.00 0.00 WAT +ATOM 34858 H2 TIP3 9516 8.069 -17.586 -2.777 1.00 0.00 WAT +ATOM 34859 OH2 TIP3 9517 12.134 -18.191 -2.483 1.00 0.00 WAT +ATOM 34860 H1 TIP3 9517 12.196 -18.716 -3.291 1.00 0.00 WAT +ATOM 34861 H2 TIP3 9517 12.758 -17.470 -2.640 1.00 0.00 WAT +ATOM 34862 OH2 TIP3 9518 -3.415 -21.266 8.736 1.00 0.00 WAT +ATOM 34863 H1 TIP3 9518 -4.219 -20.725 8.765 1.00 0.00 WAT +ATOM 34864 H2 TIP3 9518 -3.632 -21.990 9.348 1.00 0.00 WAT +ATOM 34865 OH2 TIP3 9519 3.560 -9.750 -3.190 1.00 0.00 WAT +ATOM 34866 H1 TIP3 9519 3.961 -10.065 -2.377 1.00 0.00 WAT +ATOM 34867 H2 TIP3 9519 4.099 -9.005 -3.447 1.00 0.00 WAT +ATOM 34868 OH2 TIP3 9520 3.653 -19.704 -0.424 1.00 0.00 WAT +ATOM 34869 H1 TIP3 9520 4.390 -19.049 -0.386 1.00 0.00 WAT +ATOM 34870 H2 TIP3 9520 3.433 -19.762 0.511 1.00 0.00 WAT +ATOM 34871 OH2 TIP3 9521 -0.153 -21.696 -2.186 1.00 0.00 WAT +ATOM 34872 H1 TIP3 9521 0.032 -20.753 -2.329 1.00 0.00 WAT +ATOM 34873 H2 TIP3 9521 0.614 -22.143 -2.573 1.00 0.00 WAT +ATOM 34874 OH2 TIP3 9522 -2.475 -23.606 3.914 1.00 0.00 WAT +ATOM 34875 H1 TIP3 9522 -2.836 -23.590 3.008 1.00 0.00 WAT +ATOM 34876 H2 TIP3 9522 -2.916 -24.393 4.295 1.00 0.00 WAT +ATOM 34877 OH2 TIP3 9523 2.008 -23.650 8.152 1.00 0.00 WAT +ATOM 34878 H1 TIP3 9523 1.829 -22.724 7.947 1.00 0.00 WAT +ATOM 34879 H2 TIP3 9523 1.341 -24.118 7.625 1.00 0.00 WAT +ATOM 34880 OH2 TIP3 9524 6.821 -22.096 12.817 1.00 0.00 WAT +ATOM 34881 H1 TIP3 9524 7.329 -22.721 12.275 1.00 0.00 WAT +ATOM 34882 H2 TIP3 9524 7.269 -21.259 12.651 1.00 0.00 WAT +ATOM 34883 OH2 TIP3 9525 -2.234 -20.495 11.756 1.00 0.00 WAT +ATOM 34884 H1 TIP3 9525 -2.399 -21.249 11.178 1.00 0.00 WAT +ATOM 34885 H2 TIP3 9525 -2.476 -20.817 12.632 1.00 0.00 WAT +ATOM 34886 OH2 TIP3 9526 1.818 -24.565 10.880 1.00 0.00 WAT +ATOM 34887 H1 TIP3 9526 2.366 -25.365 10.834 1.00 0.00 WAT +ATOM 34888 H2 TIP3 9526 1.847 -24.277 9.941 1.00 0.00 WAT +ATOM 34889 OH2 TIP3 9527 2.872 -22.900 13.070 1.00 0.00 WAT +ATOM 34890 H1 TIP3 9527 2.673 -23.455 12.285 1.00 0.00 WAT +ATOM 34891 H2 TIP3 9527 2.140 -22.270 13.006 1.00 0.00 WAT +ATOM 34892 OH2 TIP3 9528 10.044 -19.152 -0.608 1.00 0.00 WAT +ATOM 34893 H1 TIP3 9528 10.311 -20.051 -0.377 1.00 0.00 WAT +ATOM 34894 H2 TIP3 9528 10.889 -18.755 -0.879 1.00 0.00 WAT +ATOM 34895 OH2 TIP3 9529 10.351 -18.760 4.774 1.00 0.00 WAT +ATOM 34896 H1 TIP3 9529 11.284 -18.570 4.916 1.00 0.00 WAT +ATOM 34897 H2 TIP3 9529 9.946 -18.678 5.664 1.00 0.00 WAT +ATOM 34898 OH2 TIP3 9530 -5.040 -19.488 11.056 1.00 0.00 WAT +ATOM 34899 H1 TIP3 9530 -4.123 -19.565 11.367 1.00 0.00 WAT +ATOM 34900 H2 TIP3 9530 -5.472 -20.266 11.443 1.00 0.00 WAT +ATOM 34901 OH2 TIP3 9531 13.021 -23.899 12.841 1.00 0.00 WAT +ATOM 34902 H1 TIP3 9531 13.441 -24.592 12.300 1.00 0.00 WAT +ATOM 34903 H2 TIP3 9531 13.015 -23.139 12.221 1.00 0.00 WAT +ATOM 34904 OH2 TIP3 9532 10.407 -22.369 -0.702 1.00 0.00 WAT +ATOM 34905 H1 TIP3 9532 10.618 -22.435 0.241 1.00 0.00 WAT +ATOM 34906 H2 TIP3 9532 9.571 -22.831 -0.756 1.00 0.00 WAT +ATOM 34907 OH2 TIP3 9533 -4.035 -21.037 4.099 1.00 0.00 WAT +ATOM 34908 H1 TIP3 9533 -3.615 -21.858 4.387 1.00 0.00 WAT +ATOM 34909 H2 TIP3 9533 -3.465 -20.356 4.482 1.00 0.00 WAT +ATOM 34910 OH2 TIP3 9534 12.277 -21.938 11.053 1.00 0.00 WAT +ATOM 34911 H1 TIP3 9534 11.429 -21.498 11.210 1.00 0.00 WAT +ATOM 34912 H2 TIP3 9534 12.087 -22.445 10.241 1.00 0.00 WAT +ATOM 34913 OH2 TIP3 9535 12.438 -22.073 -3.711 1.00 0.00 WAT +ATOM 34914 H1 TIP3 9535 12.644 -22.549 -4.530 1.00 0.00 WAT +ATOM 34915 H2 TIP3 9535 12.984 -21.272 -3.810 1.00 0.00 WAT +ATOM 34916 OH2 TIP3 9536 -4.962 -22.101 -0.657 1.00 0.00 WAT +ATOM 34917 H1 TIP3 9536 -5.906 -22.241 -0.803 1.00 0.00 WAT +ATOM 34918 H2 TIP3 9536 -4.708 -21.585 -1.449 1.00 0.00 WAT +ATOM 34919 OH2 TIP3 9537 -5.262 -23.472 7.188 1.00 0.00 WAT +ATOM 34920 H1 TIP3 9537 -5.867 -23.429 7.939 1.00 0.00 WAT +ATOM 34921 H2 TIP3 9537 -5.642 -22.766 6.620 1.00 0.00 WAT +ATOM 34922 OH2 TIP3 9538 11.146 -23.706 9.179 1.00 0.00 WAT +ATOM 34923 H1 TIP3 9538 10.468 -23.355 8.573 1.00 0.00 WAT +ATOM 34924 H2 TIP3 9538 11.378 -24.555 8.750 1.00 0.00 WAT +ATOM 34925 OH2 TIP3 9539 4.629 -22.262 2.920 1.00 0.00 WAT +ATOM 34926 H1 TIP3 9539 4.114 -22.893 3.451 1.00 0.00 WAT +ATOM 34927 H2 TIP3 9539 5.524 -22.643 2.957 1.00 0.00 WAT +ATOM 34928 OH2 TIP3 9540 10.049 -24.742 3.932 1.00 0.00 WAT +ATOM 34929 H1 TIP3 9540 10.570 -23.962 3.647 1.00 0.00 WAT +ATOM 34930 H2 TIP3 9540 9.155 -24.356 3.845 1.00 0.00 WAT +ATOM 34931 OH2 TIP3 9541 11.716 -23.205 1.927 1.00 0.00 WAT +ATOM 34932 H1 TIP3 9541 12.482 -23.451 1.377 1.00 0.00 WAT +ATOM 34933 H2 TIP3 9541 11.923 -22.260 2.090 1.00 0.00 WAT +ATOM 34934 OH2 TIP3 9542 -2.660 -23.418 1.048 1.00 0.00 WAT +ATOM 34935 H1 TIP3 9542 -3.494 -23.321 0.545 1.00 0.00 WAT +ATOM 34936 H2 TIP3 9542 -2.481 -24.368 0.911 1.00 0.00 WAT +ATOM 34937 OH2 TIP3 9543 -4.067 -24.069 -2.923 1.00 0.00 WAT +ATOM 34938 H1 TIP3 9543 -3.786 -23.476 -3.633 1.00 0.00 WAT +ATOM 34939 H2 TIP3 9543 -4.742 -23.558 -2.469 1.00 0.00 WAT +ATOM 34940 OH2 TIP3 9544 7.197 -23.757 2.651 1.00 0.00 WAT +ATOM 34941 H1 TIP3 9544 7.563 -23.827 1.763 1.00 0.00 WAT +ATOM 34942 H2 TIP3 9544 6.770 -24.621 2.797 1.00 0.00 WAT +ATOM 34943 OH2 TIP3 9545 -2.208 -22.044 -4.566 1.00 0.00 WAT +ATOM 34944 H1 TIP3 9545 -1.775 -22.800 -5.010 1.00 0.00 WAT +ATOM 34945 H2 TIP3 9545 -1.771 -22.020 -3.704 1.00 0.00 WAT +ATOM 34946 OH2 TIP3 9546 3.301 -22.281 -1.670 1.00 0.00 WAT +ATOM 34947 H1 TIP3 9546 2.882 -22.594 -0.865 1.00 0.00 WAT +ATOM 34948 H2 TIP3 9546 3.098 -21.326 -1.611 1.00 0.00 WAT +ATOM 34949 OH2 TIP3 9547 -3.163 -23.295 10.788 1.00 0.00 WAT +ATOM 34950 H1 TIP3 9547 -3.493 -24.139 11.142 1.00 0.00 WAT +ATOM 34951 H2 TIP3 9547 -2.224 -23.336 11.020 1.00 0.00 WAT +ATOM 34952 OH2 TIP3 9548 -0.612 -23.926 12.511 1.00 0.00 WAT +ATOM 34953 H1 TIP3 9548 0.141 -24.294 12.010 1.00 0.00 WAT +ATOM 34954 H2 TIP3 9548 -1.057 -24.725 12.828 1.00 0.00 WAT +ATOM 34955 OH2 TIP3 9549 7.380 -24.874 12.618 1.00 0.00 WAT +ATOM 34956 H1 TIP3 9549 7.510 -25.215 13.517 1.00 0.00 WAT +ATOM 34957 H2 TIP3 9549 8.283 -24.886 12.265 1.00 0.00 WAT +ATOM 34958 OH2 TIP3 9550 25.004 -14.998 1.619 1.00 0.00 WAT +ATOM 34959 H1 TIP3 9550 25.030 -14.027 1.584 1.00 0.00 WAT +ATOM 34960 H2 TIP3 9550 24.251 -15.172 1.046 1.00 0.00 WAT +ATOM 34961 OH2 TIP3 9551 23.758 -15.166 4.621 1.00 0.00 WAT +ATOM 34962 H1 TIP3 9551 23.666 -15.776 5.362 1.00 0.00 WAT +ATOM 34963 H2 TIP3 9551 23.434 -15.692 3.875 1.00 0.00 WAT +ATOM 34964 OH2 TIP3 9552 27.670 -12.644 3.079 1.00 0.00 WAT +ATOM 34965 H1 TIP3 9552 27.088 -13.220 3.599 1.00 0.00 WAT +ATOM 34966 H2 TIP3 9552 27.393 -11.762 3.347 1.00 0.00 WAT +ATOM 34967 OH2 TIP3 9553 31.010 -21.374 5.736 1.00 0.00 WAT +ATOM 34968 H1 TIP3 9553 31.196 -20.704 6.411 1.00 0.00 WAT +ATOM 34969 H2 TIP3 9553 31.572 -21.070 5.002 1.00 0.00 WAT +ATOM 34970 OH2 TIP3 9554 25.624 -18.488 5.612 1.00 0.00 WAT +ATOM 34971 H1 TIP3 9554 25.668 -19.456 5.648 1.00 0.00 WAT +ATOM 34972 H2 TIP3 9554 25.449 -18.342 4.667 1.00 0.00 WAT +ATOM 34973 OH2 TIP3 9555 26.422 -20.329 0.995 1.00 0.00 WAT +ATOM 34974 H1 TIP3 9555 27.022 -20.755 1.639 1.00 0.00 WAT +ATOM 34975 H2 TIP3 9555 27.052 -19.862 0.428 1.00 0.00 WAT +ATOM 34976 OH2 TIP3 9556 31.760 -19.871 8.241 1.00 0.00 WAT +ATOM 34977 H1 TIP3 9556 31.122 -19.206 7.919 1.00 0.00 WAT +ATOM 34978 H2 TIP3 9556 31.367 -20.081 9.099 1.00 0.00 WAT +ATOM 34979 OH2 TIP3 9557 17.340 -21.572 6.769 1.00 0.00 WAT +ATOM 34980 H1 TIP3 9557 17.049 -21.078 5.976 1.00 0.00 WAT +ATOM 34981 H2 TIP3 9557 16.632 -21.359 7.402 1.00 0.00 WAT +ATOM 34982 OH2 TIP3 9558 25.087 -12.565 0.248 1.00 0.00 WAT +ATOM 34983 H1 TIP3 9558 24.821 -12.594 -0.679 1.00 0.00 WAT +ATOM 34984 H2 TIP3 9558 25.126 -11.628 0.444 1.00 0.00 WAT +ATOM 34985 OH2 TIP3 9559 28.332 -21.147 3.022 1.00 0.00 WAT +ATOM 34986 H1 TIP3 9559 27.812 -21.689 3.631 1.00 0.00 WAT +ATOM 34987 H2 TIP3 9559 28.723 -20.487 3.621 1.00 0.00 WAT +ATOM 34988 OH2 TIP3 9560 17.040 -19.942 4.525 1.00 0.00 WAT +ATOM 34989 H1 TIP3 9560 17.347 -19.081 4.826 1.00 0.00 WAT +ATOM 34990 H2 TIP3 9560 17.463 -19.955 3.629 1.00 0.00 WAT +ATOM 34991 OH2 TIP3 9561 28.393 -21.898 6.881 1.00 0.00 WAT +ATOM 34992 H1 TIP3 9561 27.596 -21.566 6.422 1.00 0.00 WAT +ATOM 34993 H2 TIP3 9561 29.079 -21.777 6.200 1.00 0.00 WAT +ATOM 34994 OH2 TIP3 9562 21.544 -24.239 4.020 1.00 0.00 WAT +ATOM 34995 H1 TIP3 9562 21.268 -25.155 3.839 1.00 0.00 WAT +ATOM 34996 H2 TIP3 9562 20.694 -23.822 4.274 1.00 0.00 WAT +ATOM 34997 OH2 TIP3 9563 29.540 -12.159 9.001 1.00 0.00 WAT +ATOM 34998 H1 TIP3 9563 29.215 -12.758 8.305 1.00 0.00 WAT +ATOM 34999 H2 TIP3 9563 29.159 -11.307 8.739 1.00 0.00 WAT +ATOM 35000 OH2 TIP3 9564 23.357 -14.709 -1.445 1.00 0.00 WAT +ATOM 35001 H1 TIP3 9564 22.633 -14.714 -2.080 1.00 0.00 WAT +ATOM 35002 H2 TIP3 9564 24.098 -15.041 -1.972 1.00 0.00 WAT +ATOM 35003 OH2 TIP3 9565 23.578 -17.061 -4.099 1.00 0.00 WAT +ATOM 35004 H1 TIP3 9565 24.408 -16.749 -3.716 1.00 0.00 WAT +ATOM 35005 H2 TIP3 9565 23.870 -17.551 -4.873 1.00 0.00 WAT +ATOM 35006 OH2 TIP3 9566 31.439 -15.853 7.328 1.00 0.00 WAT +ATOM 35007 H1 TIP3 9566 30.594 -15.371 7.347 1.00 0.00 WAT +ATOM 35008 H2 TIP3 9566 31.724 -15.709 6.406 1.00 0.00 WAT +ATOM 35009 OH2 TIP3 9567 27.177 -15.193 -0.409 1.00 0.00 WAT +ATOM 35010 H1 TIP3 9567 26.575 -14.776 0.232 1.00 0.00 WAT +ATOM 35011 H2 TIP3 9567 27.745 -15.717 0.177 1.00 0.00 WAT +ATOM 35012 OH2 TIP3 9568 26.942 -16.706 8.558 1.00 0.00 WAT +ATOM 35013 H1 TIP3 9568 26.876 -15.961 9.174 1.00 0.00 WAT +ATOM 35014 H2 TIP3 9568 26.264 -16.425 7.911 1.00 0.00 WAT +ATOM 35015 OH2 TIP3 9569 25.928 -15.827 -2.792 1.00 0.00 WAT +ATOM 35016 H1 TIP3 9569 26.422 -15.534 -1.993 1.00 0.00 WAT +ATOM 35017 H2 TIP3 9569 26.425 -15.341 -3.490 1.00 0.00 WAT +ATOM 35018 OH2 TIP3 9570 29.537 -24.121 -3.226 1.00 0.00 WAT +ATOM 35019 H1 TIP3 9570 28.630 -24.026 -2.876 1.00 0.00 WAT +ATOM 35020 H2 TIP3 9570 29.852 -23.204 -3.207 1.00 0.00 WAT +ATOM 35021 OH2 TIP3 9571 30.733 -9.429 -4.178 1.00 0.00 WAT +ATOM 35022 H1 TIP3 9571 31.192 -8.611 -4.392 1.00 0.00 WAT +ATOM 35023 H2 TIP3 9571 31.476 -10.057 -4.107 1.00 0.00 WAT +ATOM 35024 OH2 TIP3 9572 31.856 -9.425 10.733 1.00 0.00 WAT +ATOM 35025 H1 TIP3 9572 31.765 -10.320 10.383 1.00 0.00 WAT +ATOM 35026 H2 TIP3 9572 30.943 -9.087 10.514 1.00 0.00 WAT +ATOM 35027 OH2 TIP3 9573 29.096 -18.114 10.934 1.00 0.00 WAT +ATOM 35028 H1 TIP3 9573 28.449 -17.739 10.315 1.00 0.00 WAT +ATOM 35029 H2 TIP3 9573 29.043 -19.057 10.694 1.00 0.00 WAT +ATOM 35030 OH2 TIP3 9574 19.060 -23.034 4.797 1.00 0.00 WAT +ATOM 35031 H1 TIP3 9574 18.255 -23.133 4.253 1.00 0.00 WAT +ATOM 35032 H2 TIP3 9574 18.789 -22.280 5.346 1.00 0.00 WAT +ATOM 35033 OH2 TIP3 9575 23.460 -23.485 8.481 1.00 0.00 WAT +ATOM 35034 H1 TIP3 9575 23.977 -24.037 9.099 1.00 0.00 WAT +ATOM 35035 H2 TIP3 9575 22.552 -23.827 8.583 1.00 0.00 WAT +ATOM 35036 OH2 TIP3 9576 26.710 -19.670 9.085 1.00 0.00 WAT +ATOM 35037 H1 TIP3 9576 25.996 -19.849 9.727 1.00 0.00 WAT +ATOM 35038 H2 TIP3 9576 26.517 -18.762 8.794 1.00 0.00 WAT +ATOM 35039 OH2 TIP3 9577 27.642 -14.697 -4.721 1.00 0.00 WAT +ATOM 35040 H1 TIP3 9577 27.419 -14.922 -5.645 1.00 0.00 WAT +ATOM 35041 H2 TIP3 9577 28.597 -14.533 -4.804 1.00 0.00 WAT +ATOM 35042 OH2 TIP3 9578 23.317 -21.023 -4.250 1.00 0.00 WAT +ATOM 35043 H1 TIP3 9578 22.782 -21.098 -3.443 1.00 0.00 WAT +ATOM 35044 H2 TIP3 9578 22.856 -21.665 -4.817 1.00 0.00 WAT +ATOM 35045 OH2 TIP3 9579 18.959 -18.619 6.567 1.00 0.00 WAT +ATOM 35046 H1 TIP3 9579 18.118 -18.471 7.053 1.00 0.00 WAT +ATOM 35047 H2 TIP3 9579 18.886 -18.001 5.835 1.00 0.00 WAT +ATOM 35048 OH2 TIP3 9580 24.444 -17.524 -0.148 1.00 0.00 WAT +ATOM 35049 H1 TIP3 9580 23.936 -16.812 -0.565 1.00 0.00 WAT +ATOM 35050 H2 TIP3 9580 25.105 -17.730 -0.829 1.00 0.00 WAT +ATOM 35051 OH2 TIP3 9581 23.692 -17.341 11.381 1.00 0.00 WAT +ATOM 35052 H1 TIP3 9581 23.164 -18.109 11.669 1.00 0.00 WAT +ATOM 35053 H2 TIP3 9581 24.577 -17.547 11.740 1.00 0.00 WAT +ATOM 35054 OH2 TIP3 9582 25.320 -18.223 2.679 1.00 0.00 WAT +ATOM 35055 H1 TIP3 9582 25.031 -17.608 1.975 1.00 0.00 WAT +ATOM 35056 H2 TIP3 9582 25.482 -19.029 2.152 1.00 0.00 WAT +ATOM 35057 OH2 TIP3 9583 16.543 -18.020 7.958 1.00 0.00 WAT +ATOM 35058 H1 TIP3 9583 16.399 -17.523 8.770 1.00 0.00 WAT +ATOM 35059 H2 TIP3 9583 15.968 -18.789 8.094 1.00 0.00 WAT +ATOM 35060 OH2 TIP3 9584 19.736 -20.702 -5.268 1.00 0.00 WAT +ATOM 35061 H1 TIP3 9584 19.397 -20.914 -4.374 1.00 0.00 WAT +ATOM 35062 H2 TIP3 9584 19.004 -20.191 -5.632 1.00 0.00 WAT +ATOM 35063 OH2 TIP3 9585 13.137 -20.724 1.715 1.00 0.00 WAT +ATOM 35064 H1 TIP3 9585 13.761 -20.721 2.459 1.00 0.00 WAT +ATOM 35065 H2 TIP3 9585 13.708 -20.930 0.961 1.00 0.00 WAT +ATOM 35066 OH2 TIP3 9586 14.512 -19.956 -3.093 1.00 0.00 WAT +ATOM 35067 H1 TIP3 9586 15.183 -19.348 -3.440 1.00 0.00 WAT +ATOM 35068 H2 TIP3 9586 14.196 -19.457 -2.334 1.00 0.00 WAT +ATOM 35069 OH2 TIP3 9587 24.372 -16.523 7.229 1.00 0.00 WAT +ATOM 35070 H1 TIP3 9587 24.765 -17.226 6.677 1.00 0.00 WAT +ATOM 35071 H2 TIP3 9587 23.839 -17.032 7.862 1.00 0.00 WAT +ATOM 35072 OH2 TIP3 9588 21.366 -20.759 2.151 1.00 0.00 WAT +ATOM 35073 H1 TIP3 9588 20.436 -20.446 2.155 1.00 0.00 WAT +ATOM 35074 H2 TIP3 9588 21.602 -20.688 3.085 1.00 0.00 WAT +ATOM 35075 OH2 TIP3 9589 20.114 -19.254 -1.855 1.00 0.00 WAT +ATOM 35076 H1 TIP3 9589 20.739 -19.007 -1.164 1.00 0.00 WAT +ATOM 35077 H2 TIP3 9589 19.650 -18.434 -2.028 1.00 0.00 WAT +ATOM 35078 OH2 TIP3 9590 26.051 -21.516 5.176 1.00 0.00 WAT +ATOM 35079 H1 TIP3 9590 25.390 -21.469 5.898 1.00 0.00 WAT +ATOM 35080 H2 TIP3 9590 25.466 -21.843 4.463 1.00 0.00 WAT +ATOM 35081 OH2 TIP3 9591 16.843 -13.519 11.660 1.00 0.00 WAT +ATOM 35082 H1 TIP3 9591 17.365 -12.767 11.965 1.00 0.00 WAT +ATOM 35083 H2 TIP3 9591 15.959 -13.134 11.668 1.00 0.00 WAT +ATOM 35084 OH2 TIP3 9592 22.568 -17.884 3.889 1.00 0.00 WAT +ATOM 35085 H1 TIP3 9592 23.216 -18.335 3.337 1.00 0.00 WAT +ATOM 35086 H2 TIP3 9592 22.371 -18.537 4.580 1.00 0.00 WAT +ATOM 35087 OH2 TIP3 9593 21.714 -19.535 6.135 1.00 0.00 WAT +ATOM 35088 H1 TIP3 9593 20.839 -19.123 6.221 1.00 0.00 WAT +ATOM 35089 H2 TIP3 9593 22.158 -19.281 6.963 1.00 0.00 WAT +ATOM 35090 OH2 TIP3 9594 29.180 -14.037 6.724 1.00 0.00 WAT +ATOM 35091 H1 TIP3 9594 29.506 -13.593 5.935 1.00 0.00 WAT +ATOM 35092 H2 TIP3 9594 28.240 -14.153 6.462 1.00 0.00 WAT +ATOM 35093 OH2 TIP3 9595 25.967 -20.370 -4.146 1.00 0.00 WAT +ATOM 35094 H1 TIP3 9595 24.984 -20.453 -4.163 1.00 0.00 WAT +ATOM 35095 H2 TIP3 9595 26.114 -19.663 -3.488 1.00 0.00 WAT +ATOM 35096 OH2 TIP3 9596 26.616 -18.572 -2.036 1.00 0.00 WAT +ATOM 35097 H1 TIP3 9596 27.512 -18.700 -1.676 1.00 0.00 WAT +ATOM 35098 H2 TIP3 9596 26.677 -17.701 -2.468 1.00 0.00 WAT +ATOM 35099 OH2 TIP3 9597 21.040 -15.931 11.298 1.00 0.00 WAT +ATOM 35100 H1 TIP3 9597 20.642 -16.146 10.438 1.00 0.00 WAT +ATOM 35101 H2 TIP3 9597 21.982 -15.874 11.093 1.00 0.00 WAT +ATOM 35102 OH2 TIP3 9598 31.234 -18.553 -2.340 1.00 0.00 WAT +ATOM 35103 H1 TIP3 9598 30.673 -18.727 -3.126 1.00 0.00 WAT +ATOM 35104 H2 TIP3 9598 31.337 -17.591 -2.452 1.00 0.00 WAT +ATOM 35105 OH2 TIP3 9599 31.753 -12.537 10.493 1.00 0.00 WAT +ATOM 35106 H1 TIP3 9599 30.817 -12.276 10.341 1.00 0.00 WAT +ATOM 35107 H2 TIP3 9599 32.034 -12.650 9.567 1.00 0.00 WAT +ATOM 35108 OH2 TIP3 9600 26.688 -14.615 5.174 1.00 0.00 WAT +ATOM 35109 H1 TIP3 9600 25.719 -14.687 5.063 1.00 0.00 WAT +ATOM 35110 H2 TIP3 9600 27.003 -15.359 4.632 1.00 0.00 WAT +ATOM 35111 OH2 TIP3 9601 15.354 -20.739 8.797 1.00 0.00 WAT +ATOM 35112 H1 TIP3 9601 14.427 -20.601 8.571 1.00 0.00 WAT +ATOM 35113 H2 TIP3 9601 15.327 -21.641 9.161 1.00 0.00 WAT +ATOM 35114 OH2 TIP3 9602 24.457 -21.029 7.397 1.00 0.00 WAT +ATOM 35115 H1 TIP3 9602 25.057 -20.837 8.128 1.00 0.00 WAT +ATOM 35116 H2 TIP3 9602 23.941 -21.783 7.742 1.00 0.00 WAT +ATOM 35117 OH2 TIP3 9603 25.209 -21.705 -1.393 1.00 0.00 WAT +ATOM 35118 H1 TIP3 9603 25.211 -21.121 -2.165 1.00 0.00 WAT +ATOM 35119 H2 TIP3 9603 25.499 -21.110 -0.683 1.00 0.00 WAT +ATOM 35120 OH2 TIP3 9604 22.659 -19.729 -0.305 1.00 0.00 WAT +ATOM 35121 H1 TIP3 9604 23.284 -18.998 -0.140 1.00 0.00 WAT +ATOM 35122 H2 TIP3 9604 22.140 -19.768 0.515 1.00 0.00 WAT +ATOM 35123 OH2 TIP3 9605 22.871 -18.502 8.756 1.00 0.00 WAT +ATOM 35124 H1 TIP3 9605 22.971 -18.092 9.632 1.00 0.00 WAT +ATOM 35125 H2 TIP3 9605 23.308 -19.354 8.891 1.00 0.00 WAT +ATOM 35126 OH2 TIP3 9606 23.156 -22.621 0.628 1.00 0.00 WAT +ATOM 35127 H1 TIP3 9606 22.803 -21.867 1.137 1.00 0.00 WAT +ATOM 35128 H2 TIP3 9606 23.757 -22.171 0.005 1.00 0.00 WAT +ATOM 35129 OH2 TIP3 9607 18.668 -21.591 -2.799 1.00 0.00 WAT +ATOM 35130 H1 TIP3 9607 18.611 -20.874 -2.138 1.00 0.00 WAT +ATOM 35131 H2 TIP3 9607 19.445 -22.065 -2.460 1.00 0.00 WAT +ATOM 35132 OH2 TIP3 9608 29.212 -20.722 9.580 1.00 0.00 WAT +ATOM 35133 H1 TIP3 9608 28.250 -20.536 9.508 1.00 0.00 WAT +ATOM 35134 H2 TIP3 9608 29.353 -20.998 8.661 1.00 0.00 WAT +ATOM 35135 OH2 TIP3 9609 27.687 -16.887 3.577 1.00 0.00 WAT +ATOM 35136 H1 TIP3 9609 26.818 -17.265 3.337 1.00 0.00 WAT +ATOM 35137 H2 TIP3 9609 28.099 -17.625 4.069 1.00 0.00 WAT +ATOM 35138 OH2 TIP3 9610 16.362 -23.662 3.968 1.00 0.00 WAT +ATOM 35139 H1 TIP3 9610 16.192 -23.553 3.000 1.00 0.00 WAT +ATOM 35140 H2 TIP3 9610 15.775 -24.397 4.196 1.00 0.00 WAT +ATOM 35141 OH2 TIP3 9611 27.680 -8.905 -5.306 1.00 0.00 WAT +ATOM 35142 H1 TIP3 9611 28.134 -9.540 -4.755 1.00 0.00 WAT +ATOM 35143 H2 TIP3 9611 28.386 -8.584 -5.893 1.00 0.00 WAT +ATOM 35144 OH2 TIP3 9612 26.449 -13.457 9.359 1.00 0.00 WAT +ATOM 35145 H1 TIP3 9612 27.089 -12.935 8.862 1.00 0.00 WAT +ATOM 35146 H2 TIP3 9612 25.670 -12.885 9.319 1.00 0.00 WAT +ATOM 35147 OH2 TIP3 9613 15.054 -16.483 11.710 1.00 0.00 WAT +ATOM 35148 H1 TIP3 9613 15.949 -16.833 11.655 1.00 0.00 WAT +ATOM 35149 H2 TIP3 9613 15.154 -15.793 12.376 1.00 0.00 WAT +ATOM 35150 OH2 TIP3 9614 19.315 -16.920 9.236 1.00 0.00 WAT +ATOM 35151 H1 TIP3 9614 18.614 -16.318 9.516 1.00 0.00 WAT +ATOM 35152 H2 TIP3 9614 19.494 -16.643 8.333 1.00 0.00 WAT +ATOM 35153 OH2 TIP3 9615 24.690 -14.832 13.238 1.00 0.00 WAT +ATOM 35154 H1 TIP3 9615 25.085 -14.394 12.477 1.00 0.00 WAT +ATOM 35155 H2 TIP3 9615 23.984 -15.335 12.827 1.00 0.00 WAT +ATOM 35156 OH2 TIP3 9616 30.316 -14.422 -5.508 1.00 0.00 WAT +ATOM 35157 H1 TIP3 9616 30.212 -14.852 -6.371 1.00 0.00 WAT +ATOM 35158 H2 TIP3 9616 30.219 -13.475 -5.757 1.00 0.00 WAT +ATOM 35159 OH2 TIP3 9617 19.691 -19.880 10.260 1.00 0.00 WAT +ATOM 35160 H1 TIP3 9617 19.702 -20.560 9.562 1.00 0.00 WAT +ATOM 35161 H2 TIP3 9617 19.493 -19.081 9.746 1.00 0.00 WAT +ATOM 35162 OH2 TIP3 9618 19.990 -21.480 7.710 1.00 0.00 WAT +ATOM 35163 H1 TIP3 9618 20.498 -20.942 7.080 1.00 0.00 WAT +ATOM 35164 H2 TIP3 9618 19.075 -21.391 7.367 1.00 0.00 WAT +ATOM 35165 OH2 TIP3 9619 26.130 -18.124 12.849 1.00 0.00 WAT +ATOM 35166 H1 TIP3 9619 26.368 -19.040 13.049 1.00 0.00 WAT +ATOM 35167 H2 TIP3 9619 26.983 -17.668 12.887 1.00 0.00 WAT +ATOM 35168 OH2 TIP3 9620 27.119 -15.240 11.306 1.00 0.00 WAT +ATOM 35169 H1 TIP3 9620 26.713 -14.571 10.713 1.00 0.00 WAT +ATOM 35170 H2 TIP3 9620 27.994 -15.336 10.890 1.00 0.00 WAT +ATOM 35171 OH2 TIP3 9621 17.824 -18.037 12.079 1.00 0.00 WAT +ATOM 35172 H1 TIP3 9621 17.253 -18.826 12.068 1.00 0.00 WAT +ATOM 35173 H2 TIP3 9621 18.615 -18.364 11.629 1.00 0.00 WAT +ATOM 35174 OH2 TIP3 9622 20.711 -24.137 8.108 1.00 0.00 WAT +ATOM 35175 H1 TIP3 9622 20.545 -23.186 7.923 1.00 0.00 WAT +ATOM 35176 H2 TIP3 9622 20.031 -24.551 7.544 1.00 0.00 WAT +ATOM 35177 OH2 TIP3 9623 21.999 -19.603 11.861 1.00 0.00 WAT +ATOM 35178 H1 TIP3 9623 21.610 -19.754 12.740 1.00 0.00 WAT +ATOM 35179 H2 TIP3 9623 21.195 -19.740 11.312 1.00 0.00 WAT +ATOM 35180 OH2 TIP3 9624 24.529 -20.499 10.732 1.00 0.00 WAT +ATOM 35181 H1 TIP3 9624 23.639 -20.419 11.130 1.00 0.00 WAT +ATOM 35182 H2 TIP3 9624 24.957 -21.133 11.334 1.00 0.00 WAT +ATOM 35183 OH2 TIP3 9625 26.459 -22.043 12.517 1.00 0.00 WAT +ATOM 35184 H1 TIP3 9625 26.208 -22.980 12.636 1.00 0.00 WAT +ATOM 35185 H2 TIP3 9625 26.168 -21.626 13.349 1.00 0.00 WAT +ATOM 35186 OH2 TIP3 9626 16.614 -20.635 11.939 1.00 0.00 WAT +ATOM 35187 H1 TIP3 9626 16.331 -21.259 11.252 1.00 0.00 WAT +ATOM 35188 H2 TIP3 9626 16.182 -21.007 12.725 1.00 0.00 WAT +ATOM 35189 OH2 TIP3 9627 20.558 -24.653 10.913 1.00 0.00 WAT +ATOM 35190 H1 TIP3 9627 21.162 -25.412 10.944 1.00 0.00 WAT +ATOM 35191 H2 TIP3 9627 20.511 -24.492 9.949 1.00 0.00 WAT +ATOM 35192 OH2 TIP3 9628 21.498 -22.798 12.788 1.00 0.00 WAT +ATOM 35193 H1 TIP3 9628 21.201 -23.374 12.054 1.00 0.00 WAT +ATOM 35194 H2 TIP3 9628 20.827 -22.096 12.780 1.00 0.00 WAT +ATOM 35195 OH2 TIP3 9629 29.401 -12.022 12.792 1.00 0.00 WAT +ATOM 35196 H1 TIP3 9629 28.451 -11.923 12.995 1.00 0.00 WAT +ATOM 35197 H2 TIP3 9629 29.737 -11.150 13.039 1.00 0.00 WAT +ATOM 35198 OH2 TIP3 9630 31.318 -15.177 0.137 1.00 0.00 WAT +ATOM 35199 H1 TIP3 9630 30.523 -15.603 0.520 1.00 0.00 WAT +ATOM 35200 H2 TIP3 9630 31.840 -14.952 0.928 1.00 0.00 WAT +ATOM 35201 OH2 TIP3 9631 31.480 -15.481 -3.039 1.00 0.00 WAT +ATOM 35202 H1 TIP3 9631 30.899 -15.198 -3.774 1.00 0.00 WAT +ATOM 35203 H2 TIP3 9631 31.259 -14.848 -2.346 1.00 0.00 WAT +ATOM 35204 OH2 TIP3 9632 29.775 -18.141 -4.752 1.00 0.00 WAT +ATOM 35205 H1 TIP3 9632 29.934 -17.542 -5.493 1.00 0.00 WAT +ATOM 35206 H2 TIP3 9632 29.458 -18.948 -5.208 1.00 0.00 WAT +ATOM 35207 OH2 TIP3 9633 29.151 -16.857 1.160 1.00 0.00 WAT +ATOM 35208 H1 TIP3 9633 29.031 -17.801 0.964 1.00 0.00 WAT +ATOM 35209 H2 TIP3 9633 28.696 -16.774 2.025 1.00 0.00 WAT +ATOM 35210 OH2 TIP3 9634 29.737 -15.033 10.304 1.00 0.00 WAT +ATOM 35211 H1 TIP3 9634 30.513 -15.603 10.424 1.00 0.00 WAT +ATOM 35212 H2 TIP3 9634 30.123 -14.157 10.158 1.00 0.00 WAT +ATOM 35213 OH2 TIP3 9635 31.584 -16.908 11.383 1.00 0.00 WAT +ATOM 35214 H1 TIP3 9635 30.680 -17.276 11.282 1.00 0.00 WAT +ATOM 35215 H2 TIP3 9635 32.084 -17.741 11.458 1.00 0.00 WAT +ATOM 35216 OH2 TIP3 9636 29.164 -20.775 -5.549 1.00 0.00 WAT +ATOM 35217 H1 TIP3 9636 29.695 -21.311 -4.940 1.00 0.00 WAT +ATOM 35218 H2 TIP3 9636 28.344 -21.285 -5.655 1.00 0.00 WAT +ATOM 35219 OH2 TIP3 9637 29.023 -19.455 -0.565 1.00 0.00 WAT +ATOM 35220 H1 TIP3 9637 29.221 -20.414 -0.542 1.00 0.00 WAT +ATOM 35221 H2 TIP3 9637 29.810 -19.121 -1.026 1.00 0.00 WAT +ATOM 35222 OH2 TIP3 9638 29.186 -18.937 4.815 1.00 0.00 WAT +ATOM 35223 H1 TIP3 9638 30.144 -18.773 4.812 1.00 0.00 WAT +ATOM 35224 H2 TIP3 9638 28.994 -18.857 5.765 1.00 0.00 WAT +ATOM 35225 OH2 TIP3 9639 29.381 -18.146 7.614 1.00 0.00 WAT +ATOM 35226 H1 TIP3 9639 28.499 -17.830 7.891 1.00 0.00 WAT +ATOM 35227 H2 TIP3 9639 29.860 -17.313 7.509 1.00 0.00 WAT +ATOM 35228 OH2 TIP3 9640 13.637 -19.249 11.699 1.00 0.00 WAT +ATOM 35229 H1 TIP3 9640 14.425 -19.183 11.150 1.00 0.00 WAT +ATOM 35230 H2 TIP3 9640 13.064 -19.824 11.177 1.00 0.00 WAT +ATOM 35231 OH2 TIP3 9641 31.970 -24.021 12.958 1.00 0.00 WAT +ATOM 35232 H1 TIP3 9641 32.333 -24.733 12.398 1.00 0.00 WAT +ATOM 35233 H2 TIP3 9641 31.944 -23.268 12.336 1.00 0.00 WAT +ATOM 35234 OH2 TIP3 9642 29.454 -22.292 -0.626 1.00 0.00 WAT +ATOM 35235 H1 TIP3 9642 29.469 -22.610 0.290 1.00 0.00 WAT +ATOM 35236 H2 TIP3 9642 28.663 -22.763 -0.968 1.00 0.00 WAT +ATOM 35237 OH2 TIP3 9643 14.565 -21.214 4.203 1.00 0.00 WAT +ATOM 35238 H1 TIP3 9643 15.100 -22.025 4.198 1.00 0.00 WAT +ATOM 35239 H2 TIP3 9643 15.263 -20.557 4.371 1.00 0.00 WAT +ATOM 35240 OH2 TIP3 9644 13.487 -18.213 5.085 1.00 0.00 WAT +ATOM 35241 H1 TIP3 9644 13.769 -18.427 4.187 1.00 0.00 WAT +ATOM 35242 H2 TIP3 9644 13.818 -17.314 5.179 1.00 0.00 WAT +ATOM 35243 OH2 TIP3 9645 31.297 -22.000 11.178 1.00 0.00 WAT +ATOM 35244 H1 TIP3 9645 30.416 -21.584 11.229 1.00 0.00 WAT +ATOM 35245 H2 TIP3 9645 31.167 -22.553 10.385 1.00 0.00 WAT +ATOM 35246 OH2 TIP3 9646 31.436 -21.850 -3.905 1.00 0.00 WAT +ATOM 35247 H1 TIP3 9646 31.700 -22.616 -4.443 1.00 0.00 WAT +ATOM 35248 H2 TIP3 9646 32.220 -21.284 -3.955 1.00 0.00 WAT +ATOM 35249 OH2 TIP3 9647 13.534 -22.114 -0.878 1.00 0.00 WAT +ATOM 35250 H1 TIP3 9647 12.622 -21.919 -1.152 1.00 0.00 WAT +ATOM 35251 H2 TIP3 9647 14.053 -21.501 -1.413 1.00 0.00 WAT +ATOM 35252 OH2 TIP3 9648 13.685 -23.128 7.339 1.00 0.00 WAT +ATOM 35253 H1 TIP3 9648 12.979 -23.506 7.876 1.00 0.00 WAT +ATOM 35254 H2 TIP3 9648 13.179 -22.584 6.703 1.00 0.00 WAT +ATOM 35255 OH2 TIP3 9649 30.178 -23.760 9.158 1.00 0.00 WAT +ATOM 35256 H1 TIP3 9649 29.367 -23.559 8.656 1.00 0.00 WAT +ATOM 35257 H2 TIP3 9649 30.378 -24.659 8.825 1.00 0.00 WAT +ATOM 35258 OH2 TIP3 9650 23.684 -22.298 3.730 1.00 0.00 WAT +ATOM 35259 H1 TIP3 9650 22.896 -22.869 3.801 1.00 0.00 WAT +ATOM 35260 H2 TIP3 9650 24.082 -22.626 2.914 1.00 0.00 WAT +ATOM 35261 OH2 TIP3 9651 28.550 -24.242 4.103 1.00 0.00 WAT +ATOM 35262 H1 TIP3 9651 29.286 -23.790 3.656 1.00 0.00 WAT +ATOM 35263 H2 TIP3 9651 27.785 -23.987 3.549 1.00 0.00 WAT +ATOM 35264 OH2 TIP3 9652 30.692 -23.165 2.033 1.00 0.00 WAT +ATOM 35265 H1 TIP3 9652 31.343 -23.547 1.418 1.00 0.00 WAT +ATOM 35266 H2 TIP3 9652 30.915 -22.219 2.031 1.00 0.00 WAT +ATOM 35267 OH2 TIP3 9653 15.926 -23.492 1.319 1.00 0.00 WAT +ATOM 35268 H1 TIP3 9653 15.240 -23.461 0.631 1.00 0.00 WAT +ATOM 35269 H2 TIP3 9653 16.674 -23.865 0.840 1.00 0.00 WAT +ATOM 35270 OH2 TIP3 9654 14.780 -24.047 -2.984 1.00 0.00 WAT +ATOM 35271 H1 TIP3 9654 15.272 -23.362 -3.474 1.00 0.00 WAT +ATOM 35272 H2 TIP3 9654 14.283 -23.499 -2.349 1.00 0.00 WAT +ATOM 35273 OH2 TIP3 9655 20.546 -23.959 1.059 1.00 0.00 WAT +ATOM 35274 H1 TIP3 9655 21.322 -23.386 0.960 1.00 0.00 WAT +ATOM 35275 H2 TIP3 9655 20.292 -23.765 1.966 1.00 0.00 WAT +ATOM 35276 OH2 TIP3 9656 26.154 -23.730 2.510 1.00 0.00 WAT +ATOM 35277 H1 TIP3 9656 26.215 -23.802 1.549 1.00 0.00 WAT +ATOM 35278 H2 TIP3 9656 25.604 -24.504 2.732 1.00 0.00 WAT +ATOM 35279 OH2 TIP3 9657 27.160 -23.693 -1.559 1.00 0.00 WAT +ATOM 35280 H1 TIP3 9657 26.358 -23.132 -1.637 1.00 0.00 WAT +ATOM 35281 H2 TIP3 9657 26.757 -24.571 -1.443 1.00 0.00 WAT +ATOM 35282 OH2 TIP3 9658 16.571 -22.203 -4.581 1.00 0.00 WAT +ATOM 35283 H1 TIP3 9658 17.247 -22.743 -5.024 1.00 0.00 WAT +ATOM 35284 H2 TIP3 9658 17.085 -21.857 -3.821 1.00 0.00 WAT +ATOM 35285 OH2 TIP3 9659 21.701 -22.140 -1.960 1.00 0.00 WAT +ATOM 35286 H1 TIP3 9659 21.818 -22.636 -1.142 1.00 0.00 WAT +ATOM 35287 H2 TIP3 9659 21.611 -21.234 -1.627 1.00 0.00 WAT +ATOM 35288 OH2 TIP3 9660 15.749 -23.301 10.672 1.00 0.00 WAT +ATOM 35289 H1 TIP3 9660 15.360 -24.109 11.049 1.00 0.00 WAT +ATOM 35290 H2 TIP3 9660 16.672 -23.382 10.957 1.00 0.00 WAT +ATOM 35291 OH2 TIP3 9661 18.156 -23.924 12.470 1.00 0.00 WAT +ATOM 35292 H1 TIP3 9661 18.964 -24.274 12.043 1.00 0.00 WAT +ATOM 35293 H2 TIP3 9661 17.782 -24.729 12.859 1.00 0.00 WAT +ATOM 35294 OH2 TIP3 9662 26.251 -24.837 12.615 1.00 0.00 WAT +ATOM 35295 H1 TIP3 9662 26.297 -25.239 13.503 1.00 0.00 WAT +ATOM 35296 H2 TIP3 9662 27.187 -24.856 12.346 1.00 0.00 WAT +ATOM 35297 OH2 TIP3 9663 42.091 -15.659 4.529 1.00 0.00 WAT +ATOM 35298 H1 TIP3 9663 42.826 -15.474 5.143 1.00 0.00 WAT +ATOM 35299 H2 TIP3 9663 42.571 -15.730 3.698 1.00 0.00 WAT +ATOM 35300 OH2 TIP3 9664 35.194 -15.901 6.675 1.00 0.00 WAT +ATOM 35301 H1 TIP3 9664 35.703 -16.479 7.239 1.00 0.00 WAT +ATOM 35302 H2 TIP3 9664 35.827 -15.201 6.472 1.00 0.00 WAT +ATOM 35303 OH2 TIP3 9665 35.928 -11.092 4.594 1.00 0.00 WAT +ATOM 35304 H1 TIP3 9665 35.605 -12.000 4.463 1.00 0.00 WAT +ATOM 35305 H2 TIP3 9665 36.868 -11.238 4.775 1.00 0.00 WAT +ATOM 35306 OH2 TIP3 9666 32.794 -17.685 0.122 1.00 0.00 WAT +ATOM 35307 H1 TIP3 9666 32.330 -16.829 0.113 1.00 0.00 WAT +ATOM 35308 H2 TIP3 9666 32.130 -18.252 -0.293 1.00 0.00 WAT +ATOM 35309 OH2 TIP3 9667 33.558 -15.187 2.007 1.00 0.00 WAT +ATOM 35310 H1 TIP3 9667 33.604 -16.051 2.457 1.00 0.00 WAT +ATOM 35311 H2 TIP3 9667 34.324 -15.232 1.429 1.00 0.00 WAT +ATOM 35312 OH2 TIP3 9668 41.218 -12.883 5.176 1.00 0.00 WAT +ATOM 35313 H1 TIP3 9668 41.533 -13.653 4.670 1.00 0.00 WAT +ATOM 35314 H2 TIP3 9668 42.037 -12.589 5.598 1.00 0.00 WAT +ATOM 35315 OH2 TIP3 9669 37.428 -20.489 2.668 1.00 0.00 WAT +ATOM 35316 H1 TIP3 9669 37.549 -19.655 2.181 1.00 0.00 WAT +ATOM 35317 H2 TIP3 9669 37.107 -21.062 1.943 1.00 0.00 WAT +ATOM 35318 OH2 TIP3 9670 34.195 -17.721 3.167 1.00 0.00 WAT +ATOM 35319 H1 TIP3 9670 34.704 -18.339 3.713 1.00 0.00 WAT +ATOM 35320 H2 TIP3 9670 34.122 -18.211 2.330 1.00 0.00 WAT +ATOM 35321 OH2 TIP3 9671 39.520 -16.432 2.551 1.00 0.00 WAT +ATOM 35322 H1 TIP3 9671 40.259 -16.916 2.981 1.00 0.00 WAT +ATOM 35323 H2 TIP3 9671 38.999 -17.174 2.194 1.00 0.00 WAT +ATOM 35324 OH2 TIP3 9672 36.275 -21.715 6.815 1.00 0.00 WAT +ATOM 35325 H1 TIP3 9672 35.817 -21.319 6.061 1.00 0.00 WAT +ATOM 35326 H2 TIP3 9672 35.607 -21.581 7.517 1.00 0.00 WAT +ATOM 35327 OH2 TIP3 9673 39.101 -13.888 6.930 1.00 0.00 WAT +ATOM 35328 H1 TIP3 9673 38.425 -13.231 7.198 1.00 0.00 WAT +ATOM 35329 H2 TIP3 9673 39.811 -13.313 6.587 1.00 0.00 WAT +ATOM 35330 OH2 TIP3 9674 35.856 -19.663 4.760 1.00 0.00 WAT +ATOM 35331 H1 TIP3 9674 36.561 -19.106 5.135 1.00 0.00 WAT +ATOM 35332 H2 TIP3 9674 36.360 -20.093 4.033 1.00 0.00 WAT +ATOM 35333 OH2 TIP3 9675 37.101 -12.012 7.680 1.00 0.00 WAT +ATOM 35334 H1 TIP3 9675 37.145 -11.119 7.293 1.00 0.00 WAT +ATOM 35335 H2 TIP3 9675 36.230 -11.947 8.122 1.00 0.00 WAT +ATOM 35336 OH2 TIP3 9676 40.445 -24.260 3.978 1.00 0.00 WAT +ATOM 35337 H1 TIP3 9676 40.175 -25.198 3.952 1.00 0.00 WAT +ATOM 35338 H2 TIP3 9676 39.635 -23.840 4.338 1.00 0.00 WAT +ATOM 35339 OH2 TIP3 9677 42.777 -16.903 -4.361 1.00 0.00 WAT +ATOM 35340 H1 TIP3 9677 43.315 -17.146 -3.579 1.00 0.00 WAT +ATOM 35341 H2 TIP3 9677 42.848 -17.704 -4.895 1.00 0.00 WAT +ATOM 35342 OH2 TIP3 9678 37.682 -14.530 1.452 1.00 0.00 WAT +ATOM 35343 H1 TIP3 9678 37.184 -15.001 0.758 1.00 0.00 WAT +ATOM 35344 H2 TIP3 9678 38.151 -15.246 1.921 1.00 0.00 WAT +ATOM 35345 OH2 TIP3 9679 38.959 -11.199 4.352 1.00 0.00 WAT +ATOM 35346 H1 TIP3 9679 38.901 -11.510 3.441 1.00 0.00 WAT +ATOM 35347 H2 TIP3 9679 39.794 -11.602 4.657 1.00 0.00 WAT +ATOM 35348 OH2 TIP3 9680 38.099 -15.761 5.074 1.00 0.00 WAT +ATOM 35349 H1 TIP3 9680 38.713 -15.735 4.317 1.00 0.00 WAT +ATOM 35350 H2 TIP3 9680 38.497 -15.084 5.662 1.00 0.00 WAT +ATOM 35351 OH2 TIP3 9681 38.995 -11.394 9.890 1.00 0.00 WAT +ATOM 35352 H1 TIP3 9681 38.512 -10.691 10.358 1.00 0.00 WAT +ATOM 35353 H2 TIP3 9681 38.374 -11.599 9.167 1.00 0.00 WAT +ATOM 35354 OH2 TIP3 9682 42.394 -9.294 0.791 1.00 0.00 WAT +ATOM 35355 H1 TIP3 9682 42.972 -8.835 1.427 1.00 0.00 WAT +ATOM 35356 H2 TIP3 9682 42.019 -8.549 0.302 1.00 0.00 WAT +ATOM 35357 OH2 TIP3 9683 37.100 -9.208 10.712 1.00 0.00 WAT +ATOM 35358 H1 TIP3 9683 37.035 -9.141 9.741 1.00 0.00 WAT +ATOM 35359 H2 TIP3 9683 36.195 -9.458 10.973 1.00 0.00 WAT +ATOM 35360 OH2 TIP3 9684 36.834 -15.608 -1.026 1.00 0.00 WAT +ATOM 35361 H1 TIP3 9684 36.359 -14.918 -1.536 1.00 0.00 WAT +ATOM 35362 H2 TIP3 9684 36.261 -16.376 -1.210 1.00 0.00 WAT +ATOM 35363 OH2 TIP3 9685 32.608 -13.276 7.839 1.00 0.00 WAT +ATOM 35364 H1 TIP3 9685 32.288 -13.135 6.935 1.00 0.00 WAT +ATOM 35365 H2 TIP3 9685 32.452 -14.234 7.914 1.00 0.00 WAT +ATOM 35366 OH2 TIP3 9686 41.745 -10.372 9.406 1.00 0.00 WAT +ATOM 35367 H1 TIP3 9686 41.818 -9.464 9.733 1.00 0.00 WAT +ATOM 35368 H2 TIP3 9686 40.821 -10.612 9.592 1.00 0.00 WAT +ATOM 35369 OH2 TIP3 9687 41.833 -6.554 -0.738 1.00 0.00 WAT +ATOM 35370 H1 TIP3 9687 42.050 -6.479 -1.679 1.00 0.00 WAT +ATOM 35371 H2 TIP3 9687 42.054 -5.682 -0.383 1.00 0.00 WAT +ATOM 35372 OH2 TIP3 9688 34.698 -11.504 9.003 1.00 0.00 WAT +ATOM 35373 H1 TIP3 9688 34.957 -11.983 9.809 1.00 0.00 WAT +ATOM 35374 H2 TIP3 9688 33.959 -12.040 8.666 1.00 0.00 WAT +ATOM 35375 OH2 TIP3 9689 37.982 -23.063 4.800 1.00 0.00 WAT +ATOM 35376 H1 TIP3 9689 37.169 -23.178 4.277 1.00 0.00 WAT +ATOM 35377 H2 TIP3 9689 37.694 -22.371 5.414 1.00 0.00 WAT +ATOM 35378 OH2 TIP3 9690 42.322 -23.731 9.082 1.00 0.00 WAT +ATOM 35379 H1 TIP3 9690 42.461 -24.446 9.721 1.00 0.00 WAT +ATOM 35380 H2 TIP3 9690 41.416 -23.934 8.772 1.00 0.00 WAT +ATOM 35381 OH2 TIP3 9691 42.333 -20.949 -4.166 1.00 0.00 WAT +ATOM 35382 H1 TIP3 9691 41.700 -21.150 -3.461 1.00 0.00 WAT +ATOM 35383 H2 TIP3 9691 42.045 -21.573 -4.849 1.00 0.00 WAT +ATOM 35384 OH2 TIP3 9692 37.840 -18.290 6.344 1.00 0.00 WAT +ATOM 35385 H1 TIP3 9692 37.058 -18.279 6.903 1.00 0.00 WAT +ATOM 35386 H2 TIP3 9692 37.867 -17.393 5.946 1.00 0.00 WAT +ATOM 35387 OH2 TIP3 9693 37.711 -18.133 1.051 1.00 0.00 WAT +ATOM 35388 H1 TIP3 9693 36.758 -18.328 0.942 1.00 0.00 WAT +ATOM 35389 H2 TIP3 9693 38.056 -18.471 0.196 1.00 0.00 WAT +ATOM 35390 OH2 TIP3 9694 -43.464 -17.804 -1.905 1.00 0.00 WAT +ATOM 35391 H1 TIP3 9694 -43.947 -17.094 -1.475 1.00 0.00 WAT +ATOM 35392 H2 TIP3 9694 -42.711 -17.890 -1.293 1.00 0.00 WAT +ATOM 35393 OH2 TIP3 9695 42.475 -17.395 11.454 1.00 0.00 WAT +ATOM 35394 H1 TIP3 9695 41.955 -18.219 11.591 1.00 0.00 WAT +ATOM 35395 H2 TIP3 9695 43.369 -17.790 11.425 1.00 0.00 WAT +ATOM 35396 OH2 TIP3 9696 38.656 -20.472 -5.323 1.00 0.00 WAT +ATOM 35397 H1 TIP3 9696 38.209 -20.891 -4.563 1.00 0.00 WAT +ATOM 35398 H2 TIP3 9696 37.914 -20.299 -5.920 1.00 0.00 WAT +ATOM 35399 OH2 TIP3 9697 32.079 -20.543 1.695 1.00 0.00 WAT +ATOM 35400 H1 TIP3 9697 32.627 -20.760 2.469 1.00 0.00 WAT +ATOM 35401 H2 TIP3 9697 32.459 -21.068 0.971 1.00 0.00 WAT +ATOM 35402 OH2 TIP3 9698 33.636 -20.192 -2.538 1.00 0.00 WAT +ATOM 35403 H1 TIP3 9698 34.121 -19.729 -3.251 1.00 0.00 WAT +ATOM 35404 H2 TIP3 9698 32.885 -19.587 -2.404 1.00 0.00 WAT +ATOM 35405 OH2 TIP3 9699 43.398 -16.838 7.489 1.00 0.00 WAT +ATOM 35406 H1 TIP3 9699 43.784 -17.447 6.826 1.00 0.00 WAT +ATOM 35407 H2 TIP3 9699 42.739 -17.426 7.883 1.00 0.00 WAT +ATOM 35408 OH2 TIP3 9700 40.503 -20.772 2.117 1.00 0.00 WAT +ATOM 35409 H1 TIP3 9700 39.562 -20.781 2.355 1.00 0.00 WAT +ATOM 35410 H2 TIP3 9700 40.911 -20.706 2.996 1.00 0.00 WAT +ATOM 35411 OH2 TIP3 9701 35.135 -19.350 0.763 1.00 0.00 WAT +ATOM 35412 H1 TIP3 9701 34.261 -19.126 0.393 1.00 0.00 WAT +ATOM 35413 H2 TIP3 9701 35.342 -20.190 0.315 1.00 0.00 WAT +ATOM 35414 OH2 TIP3 9702 38.730 -18.965 -1.444 1.00 0.00 WAT +ATOM 35415 H1 TIP3 9702 39.699 -18.988 -1.514 1.00 0.00 WAT +ATOM 35416 H2 TIP3 9702 38.431 -18.569 -2.288 1.00 0.00 WAT +ATOM 35417 OH2 TIP3 9703 37.244 -17.843 -3.682 1.00 0.00 WAT +ATOM 35418 H1 TIP3 9703 36.619 -18.103 -4.383 1.00 0.00 WAT +ATOM 35419 H2 TIP3 9703 37.986 -17.524 -4.217 1.00 0.00 WAT +ATOM 35420 OH2 TIP3 9704 35.820 -13.454 11.017 1.00 0.00 WAT +ATOM 35421 H1 TIP3 9704 36.509 -13.267 11.680 1.00 0.00 WAT +ATOM 35422 H2 TIP3 9704 35.019 -13.353 11.567 1.00 0.00 WAT +ATOM 35423 OH2 TIP3 9705 41.457 -18.422 3.494 1.00 0.00 WAT +ATOM 35424 H1 TIP3 9705 42.245 -18.882 3.183 1.00 0.00 WAT +ATOM 35425 H2 TIP3 9705 41.584 -18.500 4.457 1.00 0.00 WAT +ATOM 35426 OH2 TIP3 9706 36.863 -21.680 0.158 1.00 0.00 WAT +ATOM 35427 H1 TIP3 9706 36.237 -22.415 0.286 1.00 0.00 WAT +ATOM 35428 H2 TIP3 9706 37.617 -22.129 -0.243 1.00 0.00 WAT +ATOM 35429 OH2 TIP3 9707 40.455 -19.700 6.230 1.00 0.00 WAT +ATOM 35430 H1 TIP3 9707 39.736 -19.049 6.179 1.00 0.00 WAT +ATOM 35431 H2 TIP3 9707 41.017 -19.329 6.933 1.00 0.00 WAT +ATOM 35432 OH2 TIP3 9708 41.867 -13.404 9.371 1.00 0.00 WAT +ATOM 35433 H1 TIP3 9708 41.947 -13.481 10.323 1.00 0.00 WAT +ATOM 35434 H2 TIP3 9708 42.143 -12.488 9.199 1.00 0.00 WAT +ATOM 35435 OH2 TIP3 9709 35.780 -13.959 4.070 1.00 0.00 WAT +ATOM 35436 H1 TIP3 9709 36.237 -13.878 3.222 1.00 0.00 WAT +ATOM 35437 H2 TIP3 9709 35.953 -14.880 4.296 1.00 0.00 WAT +ATOM 35438 OH2 TIP3 9710 42.660 -12.105 -2.785 1.00 0.00 WAT +ATOM 35439 H1 TIP3 9710 42.539 -11.161 -2.557 1.00 0.00 WAT +ATOM 35440 H2 TIP3 9710 41.745 -12.399 -2.773 1.00 0.00 WAT +ATOM 35441 OH2 TIP3 9711 39.919 -16.218 10.996 1.00 0.00 WAT +ATOM 35442 H1 TIP3 9711 39.954 -16.271 10.023 1.00 0.00 WAT +ATOM 35443 H2 TIP3 9711 40.863 -16.375 11.192 1.00 0.00 WAT +ATOM 35444 OH2 TIP3 9712 38.167 -10.615 1.129 1.00 0.00 WAT +ATOM 35445 H1 TIP3 9712 38.591 -9.744 1.143 1.00 0.00 WAT +ATOM 35446 H2 TIP3 9712 37.239 -10.358 1.077 1.00 0.00 WAT +ATOM 35447 OH2 TIP3 9713 34.081 -15.777 -4.156 1.00 0.00 WAT +ATOM 35448 H1 TIP3 9713 34.601 -15.045 -3.797 1.00 0.00 WAT +ATOM 35449 H2 TIP3 9713 33.177 -15.538 -3.857 1.00 0.00 WAT +ATOM 35450 OH2 TIP3 9714 39.810 -13.128 0.332 1.00 0.00 WAT +ATOM 35451 H1 TIP3 9714 39.976 -12.196 0.566 1.00 0.00 WAT +ATOM 35452 H2 TIP3 9714 39.180 -13.353 1.046 1.00 0.00 WAT +ATOM 35453 OH2 TIP3 9715 40.208 -8.574 7.186 1.00 0.00 WAT +ATOM 35454 H1 TIP3 9715 40.769 -7.852 6.827 1.00 0.00 WAT +ATOM 35455 H2 TIP3 9715 40.871 -9.089 7.665 1.00 0.00 WAT +ATOM 35456 OH2 TIP3 9716 38.274 -7.586 0.358 1.00 0.00 WAT +ATOM 35457 H1 TIP3 9716 37.383 -7.430 0.678 1.00 0.00 WAT +ATOM 35458 H2 TIP3 9716 38.728 -6.761 0.627 1.00 0.00 WAT +ATOM 35459 OH2 TIP3 9717 34.460 -20.722 8.805 1.00 0.00 WAT +ATOM 35460 H1 TIP3 9717 33.561 -20.444 8.532 1.00 0.00 WAT +ATOM 35461 H2 TIP3 9717 34.283 -21.595 9.191 1.00 0.00 WAT +ATOM 35462 OH2 TIP3 9718 34.265 -8.999 7.086 1.00 0.00 WAT +ATOM 35463 H1 TIP3 9718 34.427 -9.946 7.046 1.00 0.00 WAT +ATOM 35464 H2 TIP3 9718 34.381 -8.807 8.016 1.00 0.00 WAT +ATOM 35465 OH2 TIP3 9719 39.944 -10.483 -5.746 1.00 0.00 WAT +ATOM 35466 H1 TIP3 9719 40.255 -11.196 -6.336 1.00 0.00 WAT +ATOM 35467 H2 TIP3 9719 39.646 -10.999 -4.984 1.00 0.00 WAT +ATOM 35468 OH2 TIP3 9720 39.254 -11.359 -2.767 1.00 0.00 WAT +ATOM 35469 H1 TIP3 9720 39.246 -11.512 -1.819 1.00 0.00 WAT +ATOM 35470 H2 TIP3 9720 39.159 -10.388 -2.789 1.00 0.00 WAT +ATOM 35471 OH2 TIP3 9721 35.544 -13.367 -2.436 1.00 0.00 WAT +ATOM 35472 H1 TIP3 9721 34.707 -13.010 -2.112 1.00 0.00 WAT +ATOM 35473 H2 TIP3 9721 35.914 -12.575 -2.876 1.00 0.00 WAT +ATOM 35474 OH2 TIP3 9722 43.316 -20.664 7.923 1.00 0.00 WAT +ATOM 35475 H1 TIP3 9722 43.936 -21.388 8.055 1.00 0.00 WAT +ATOM 35476 H2 TIP3 9722 42.725 -21.055 7.265 1.00 0.00 WAT +ATOM 35477 OH2 TIP3 9723 41.690 -9.428 -2.525 1.00 0.00 WAT +ATOM 35478 H1 TIP3 9723 40.913 -8.898 -2.276 1.00 0.00 WAT +ATOM 35479 H2 TIP3 9723 42.154 -8.816 -3.105 1.00 0.00 WAT +ATOM 35480 OH2 TIP3 9724 41.367 -19.466 -0.322 1.00 0.00 WAT +ATOM 35481 H1 TIP3 9724 42.324 -19.394 -0.229 1.00 0.00 WAT +ATOM 35482 H2 TIP3 9724 41.108 -19.829 0.549 1.00 0.00 WAT +ATOM 35483 OH2 TIP3 9725 41.644 -18.739 8.773 1.00 0.00 WAT +ATOM 35484 H1 TIP3 9725 41.891 -18.305 9.601 1.00 0.00 WAT +ATOM 35485 H2 TIP3 9725 42.300 -19.467 8.711 1.00 0.00 WAT +ATOM 35486 OH2 TIP3 9726 41.925 -22.693 0.740 1.00 0.00 WAT +ATOM 35487 H1 TIP3 9726 41.679 -21.909 1.280 1.00 0.00 WAT +ATOM 35488 H2 TIP3 9726 42.723 -22.384 0.272 1.00 0.00 WAT +ATOM 35489 OH2 TIP3 9727 38.890 -8.411 -2.434 1.00 0.00 WAT +ATOM 35490 H1 TIP3 9727 38.906 -7.601 -2.987 1.00 0.00 WAT +ATOM 35491 H2 TIP3 9727 38.733 -8.031 -1.548 1.00 0.00 WAT +ATOM 35492 OH2 TIP3 9728 37.680 -21.624 -3.001 1.00 0.00 WAT +ATOM 35493 H1 TIP3 9728 37.655 -20.896 -2.361 1.00 0.00 WAT +ATOM 35494 H2 TIP3 9728 38.469 -22.127 -2.743 1.00 0.00 WAT +ATOM 35495 OH2 TIP3 9729 36.223 -10.847 -3.738 1.00 0.00 WAT +ATOM 35496 H1 TIP3 9729 36.845 -10.124 -3.568 1.00 0.00 WAT +ATOM 35497 H2 TIP3 9729 36.635 -11.262 -4.514 1.00 0.00 WAT +ATOM 35498 OH2 TIP3 9730 34.239 -18.554 -4.751 1.00 0.00 WAT +ATOM 35499 H1 TIP3 9730 34.288 -17.604 -4.535 1.00 0.00 WAT +ATOM 35500 H2 TIP3 9730 33.413 -18.607 -5.254 1.00 0.00 WAT +ATOM 35501 OH2 TIP3 9731 35.170 -23.517 4.006 1.00 0.00 WAT +ATOM 35502 H1 TIP3 9731 34.983 -23.551 3.045 1.00 0.00 WAT +ATOM 35503 H2 TIP3 9731 34.828 -24.380 4.312 1.00 0.00 WAT +ATOM 35504 OH2 TIP3 9732 33.497 -7.093 11.368 1.00 0.00 WAT +ATOM 35505 H1 TIP3 9732 33.973 -7.433 12.147 1.00 0.00 WAT +ATOM 35506 H2 TIP3 9732 32.963 -7.869 11.096 1.00 0.00 WAT +ATOM 35507 OH2 TIP3 9733 38.108 -8.087 13.229 1.00 0.00 WAT +ATOM 35508 H1 TIP3 9733 38.821 -8.721 13.408 1.00 0.00 WAT +ATOM 35509 H2 TIP3 9733 37.888 -8.324 12.312 1.00 0.00 WAT +ATOM 35510 OH2 TIP3 9734 42.304 -8.830 -5.478 1.00 0.00 WAT +ATOM 35511 H1 TIP3 9734 41.454 -9.312 -5.444 1.00 0.00 WAT +ATOM 35512 H2 TIP3 9734 42.897 -9.583 -5.639 1.00 0.00 WAT +ATOM 35513 OH2 TIP3 9735 33.452 -13.514 12.466 1.00 0.00 WAT +ATOM 35514 H1 TIP3 9735 33.281 -14.460 12.370 1.00 0.00 WAT +ATOM 35515 H2 TIP3 9735 32.701 -13.142 11.954 1.00 0.00 WAT +ATOM 35516 OH2 TIP3 9736 37.663 -13.089 -5.335 1.00 0.00 WAT +ATOM 35517 H1 TIP3 9736 37.727 -13.947 -4.902 1.00 0.00 WAT +ATOM 35518 H2 TIP3 9736 38.458 -13.096 -5.899 1.00 0.00 WAT +ATOM 35519 OH2 TIP3 9737 39.990 -13.316 11.900 1.00 0.00 WAT +ATOM 35520 H1 TIP3 9737 39.821 -12.934 11.019 1.00 0.00 WAT +ATOM 35521 H2 TIP3 9737 40.157 -14.251 11.699 1.00 0.00 WAT +ATOM 35522 OH2 TIP3 9738 42.645 -11.734 -5.859 1.00 0.00 WAT +ATOM 35523 H1 TIP3 9738 42.834 -11.653 -4.910 1.00 0.00 WAT +ATOM 35524 H2 TIP3 9738 42.463 -12.687 -5.940 1.00 0.00 WAT +ATOM 35525 OH2 TIP3 9739 37.209 -16.682 9.004 1.00 0.00 WAT +ATOM 35526 H1 TIP3 9739 37.531 -16.052 9.673 1.00 0.00 WAT +ATOM 35527 H2 TIP3 9739 38.040 -16.819 8.513 1.00 0.00 WAT +ATOM 35528 OH2 TIP3 9740 39.829 -16.677 -4.579 1.00 0.00 WAT +ATOM 35529 H1 TIP3 9740 39.596 -16.701 -5.523 1.00 0.00 WAT +ATOM 35530 H2 TIP3 9740 40.799 -16.682 -4.634 1.00 0.00 WAT +ATOM 35531 OH2 TIP3 9741 42.784 -14.760 12.853 1.00 0.00 WAT +ATOM 35532 H1 TIP3 9741 43.529 -15.007 12.295 1.00 0.00 WAT +ATOM 35533 H2 TIP3 9741 42.699 -15.565 13.393 1.00 0.00 WAT +ATOM 35534 OH2 TIP3 9742 38.565 -19.939 10.311 1.00 0.00 WAT +ATOM 35535 H1 TIP3 9742 38.623 -20.638 9.631 1.00 0.00 WAT +ATOM 35536 H2 TIP3 9742 38.486 -19.158 9.760 1.00 0.00 WAT +ATOM 35537 OH2 TIP3 9743 38.854 -21.426 7.775 1.00 0.00 WAT +ATOM 35538 H1 TIP3 9743 39.357 -20.926 7.099 1.00 0.00 WAT +ATOM 35539 H2 TIP3 9743 37.954 -21.473 7.389 1.00 0.00 WAT +ATOM 35540 OH2 TIP3 9744 40.500 -16.075 8.130 1.00 0.00 WAT +ATOM 35541 H1 TIP3 9744 41.298 -16.170 7.585 1.00 0.00 WAT +ATOM 35542 H2 TIP3 9744 40.247 -15.163 7.903 1.00 0.00 WAT +ATOM 35543 OH2 TIP3 9745 36.548 -17.986 11.698 1.00 0.00 WAT +ATOM 35544 H1 TIP3 9745 36.087 -18.695 12.185 1.00 0.00 WAT +ATOM 35545 H2 TIP3 9745 37.455 -18.335 11.685 1.00 0.00 WAT +ATOM 35546 OH2 TIP3 9746 39.706 -24.089 8.100 1.00 0.00 WAT +ATOM 35547 H1 TIP3 9746 39.458 -23.158 7.930 1.00 0.00 WAT +ATOM 35548 H2 TIP3 9746 39.055 -24.566 7.548 1.00 0.00 WAT +ATOM 35549 OH2 TIP3 9747 41.007 -19.616 11.853 1.00 0.00 WAT +ATOM 35550 H1 TIP3 9747 40.682 -19.941 12.707 1.00 0.00 WAT +ATOM 35551 H2 TIP3 9747 40.278 -19.891 11.268 1.00 0.00 WAT +ATOM 35552 OH2 TIP3 9748 35.363 -20.651 11.927 1.00 0.00 WAT +ATOM 35553 H1 TIP3 9748 35.297 -21.389 11.294 1.00 0.00 WAT +ATOM 35554 H2 TIP3 9748 35.185 -21.118 12.767 1.00 0.00 WAT +ATOM 35555 OH2 TIP3 9749 39.469 -24.617 10.927 1.00 0.00 WAT +ATOM 35556 H1 TIP3 9749 40.037 -25.400 10.978 1.00 0.00 WAT +ATOM 35557 H2 TIP3 9749 39.428 -24.486 9.959 1.00 0.00 WAT +ATOM 35558 OH2 TIP3 9750 40.367 -22.805 12.847 1.00 0.00 WAT +ATOM 35559 H1 TIP3 9750 40.115 -23.395 12.106 1.00 0.00 WAT +ATOM 35560 H2 TIP3 9750 39.678 -22.129 12.813 1.00 0.00 WAT +ATOM 35561 OH2 TIP3 9751 39.567 -5.837 -3.733 1.00 0.00 WAT +ATOM 35562 H1 TIP3 9751 40.518 -5.685 -3.661 1.00 0.00 WAT +ATOM 35563 H2 TIP3 9751 39.362 -5.308 -4.518 1.00 0.00 WAT +ATOM 35564 OH2 TIP3 9752 33.218 -11.308 -4.203 1.00 0.00 WAT +ATOM 35565 H1 TIP3 9752 34.150 -11.152 -3.988 1.00 0.00 WAT +ATOM 35566 H2 TIP3 9752 33.252 -12.098 -4.772 1.00 0.00 WAT +ATOM 35567 OH2 TIP3 9753 32.701 -14.794 4.994 1.00 0.00 WAT +ATOM 35568 H1 TIP3 9753 32.810 -14.585 4.050 1.00 0.00 WAT +ATOM 35569 H2 TIP3 9753 33.616 -14.744 5.304 1.00 0.00 WAT +ATOM 35570 OH2 TIP3 9754 32.830 -19.416 11.336 1.00 0.00 WAT +ATOM 35571 H1 TIP3 9754 33.698 -19.851 11.419 1.00 0.00 WAT +ATOM 35572 H2 TIP3 9754 32.242 -20.196 11.352 1.00 0.00 WAT +ATOM 35573 OH2 TIP3 9755 33.491 -21.076 4.113 1.00 0.00 WAT +ATOM 35574 H1 TIP3 9755 33.896 -21.958 4.190 1.00 0.00 WAT +ATOM 35575 H2 TIP3 9755 34.191 -20.511 4.485 1.00 0.00 WAT +ATOM 35576 OH2 TIP3 9756 32.082 -18.329 5.247 1.00 0.00 WAT +ATOM 35577 H1 TIP3 9756 32.510 -18.513 4.402 1.00 0.00 WAT +ATOM 35578 H2 TIP3 9756 32.472 -17.475 5.472 1.00 0.00 WAT +ATOM 35579 OH2 TIP3 9757 32.500 -22.033 -0.721 1.00 0.00 WAT +ATOM 35580 H1 TIP3 9757 31.560 -22.062 -0.977 1.00 0.00 WAT +ATOM 35581 H2 TIP3 9757 32.900 -21.492 -1.430 1.00 0.00 WAT +ATOM 35582 OH2 TIP3 9758 32.579 -23.172 7.373 1.00 0.00 WAT +ATOM 35583 H1 TIP3 9758 31.870 -23.476 7.957 1.00 0.00 WAT +ATOM 35584 H2 TIP3 9758 32.063 -22.678 6.706 1.00 0.00 WAT +ATOM 35585 OH2 TIP3 9759 34.461 -10.156 12.005 1.00 0.00 WAT +ATOM 35586 H1 TIP3 9759 33.719 -10.083 11.384 1.00 0.00 WAT +ATOM 35587 H2 TIP3 9759 34.012 -10.099 12.854 1.00 0.00 WAT +ATOM 35588 OH2 TIP3 9760 37.476 -9.137 7.787 1.00 0.00 WAT +ATOM 35589 H1 TIP3 9760 37.063 -8.365 7.359 1.00 0.00 WAT +ATOM 35590 H2 TIP3 9760 38.415 -8.970 7.564 1.00 0.00 WAT +ATOM 35591 OH2 TIP3 9761 42.185 -7.490 10.619 1.00 0.00 WAT +ATOM 35592 H1 TIP3 9761 42.058 -7.864 11.504 1.00 0.00 WAT +ATOM 35593 H2 TIP3 9761 43.137 -7.281 10.660 1.00 0.00 WAT +ATOM 35594 OH2 TIP3 9762 34.590 -5.811 7.983 1.00 0.00 WAT +ATOM 35595 H1 TIP3 9762 33.854 -5.523 7.438 1.00 0.00 WAT +ATOM 35596 H2 TIP3 9762 34.160 -6.077 8.803 1.00 0.00 WAT +ATOM 35597 OH2 TIP3 9763 37.251 -6.365 6.701 1.00 0.00 WAT +ATOM 35598 H1 TIP3 9763 36.364 -6.161 7.052 1.00 0.00 WAT +ATOM 35599 H2 TIP3 9763 37.312 -5.736 5.957 1.00 0.00 WAT +ATOM 35600 OH2 TIP3 9764 41.945 -6.599 6.177 1.00 0.00 WAT +ATOM 35601 H1 TIP3 9764 41.782 -6.123 5.347 1.00 0.00 WAT +ATOM 35602 H2 TIP3 9764 42.608 -6.048 6.603 1.00 0.00 WAT +ATOM 35603 OH2 TIP3 9765 36.242 -8.538 3.123 1.00 0.00 WAT +ATOM 35604 H1 TIP3 9765 35.911 -9.299 3.636 1.00 0.00 WAT +ATOM 35605 H2 TIP3 9765 36.978 -8.239 3.677 1.00 0.00 WAT +ATOM 35606 OH2 TIP3 9766 39.076 -8.105 4.300 1.00 0.00 WAT +ATOM 35607 H1 TIP3 9766 39.209 -9.041 4.083 1.00 0.00 WAT +ATOM 35608 H2 TIP3 9766 39.130 -8.132 5.267 1.00 0.00 WAT +ATOM 35609 OH2 TIP3 9767 42.590 -22.539 3.640 1.00 0.00 WAT +ATOM 35610 H1 TIP3 9767 41.800 -23.096 3.767 1.00 0.00 WAT +ATOM 35611 H2 TIP3 9767 43.004 -22.968 2.886 1.00 0.00 WAT +ATOM 35612 OH2 TIP3 9768 34.824 -23.549 1.174 1.00 0.00 WAT +ATOM 35613 H1 TIP3 9768 33.953 -23.664 0.744 1.00 0.00 WAT +ATOM 35614 H2 TIP3 9768 35.213 -24.433 1.028 1.00 0.00 WAT +ATOM 35615 OH2 TIP3 9769 33.695 -24.088 -2.901 1.00 0.00 WAT +ATOM 35616 H1 TIP3 9769 34.124 -23.418 -3.468 1.00 0.00 WAT +ATOM 35617 H2 TIP3 9769 33.173 -23.539 -2.298 1.00 0.00 WAT +ATOM 35618 OH2 TIP3 9770 39.319 -23.681 1.064 1.00 0.00 WAT +ATOM 35619 H1 TIP3 9770 40.265 -23.455 0.978 1.00 0.00 WAT +ATOM 35620 H2 TIP3 9770 39.263 -23.854 2.011 1.00 0.00 WAT +ATOM 35621 OH2 TIP3 9771 35.310 -22.251 -4.495 1.00 0.00 WAT +ATOM 35622 H1 TIP3 9771 35.901 -22.794 -5.045 1.00 0.00 WAT +ATOM 35623 H2 TIP3 9771 35.930 -21.920 -3.820 1.00 0.00 WAT +ATOM 35624 OH2 TIP3 9772 40.792 -21.991 -1.906 1.00 0.00 WAT +ATOM 35625 H1 TIP3 9772 40.673 -22.676 -1.229 1.00 0.00 WAT +ATOM 35626 H2 TIP3 9772 40.495 -21.195 -1.447 1.00 0.00 WAT +ATOM 35627 OH2 TIP3 9773 42.640 -6.496 -3.663 1.00 0.00 WAT +ATOM 35628 H1 TIP3 9773 43.501 -6.077 -3.845 1.00 0.00 WAT +ATOM 35629 H2 TIP3 9773 42.495 -7.036 -4.460 1.00 0.00 WAT +ATOM 35630 OH2 TIP3 9774 34.635 -23.231 10.741 1.00 0.00 WAT +ATOM 35631 H1 TIP3 9774 34.176 -24.043 11.018 1.00 0.00 WAT +ATOM 35632 H2 TIP3 9774 35.554 -23.466 10.943 1.00 0.00 WAT +ATOM 35633 OH2 TIP3 9775 37.018 -23.922 12.470 1.00 0.00 WAT +ATOM 35634 H1 TIP3 9775 37.823 -24.301 12.063 1.00 0.00 WAT +ATOM 35635 H2 TIP3 9775 36.625 -24.719 12.868 1.00 0.00 WAT +ATOM 35636 OH2 TIP3 9776 35.197 -7.250 -4.925 1.00 0.00 WAT +ATOM 35637 H1 TIP3 9776 35.016 -6.798 -4.090 1.00 0.00 WAT +ATOM 35638 H2 TIP3 9776 36.064 -7.662 -4.789 1.00 0.00 WAT +ATOM 35639 OH2 TIP3 9777 -31.605 4.064 1.456 1.00 0.00 WAT +ATOM 35640 H1 TIP3 9777 -31.628 5.031 1.514 1.00 0.00 WAT +ATOM 35641 H2 TIP3 9777 -32.363 3.884 0.880 1.00 0.00 WAT +ATOM 35642 OH2 TIP3 9778 -32.671 3.510 4.557 1.00 0.00 WAT +ATOM 35643 H1 TIP3 9778 -32.717 2.868 5.280 1.00 0.00 WAT +ATOM 35644 H2 TIP3 9778 -32.935 2.951 3.809 1.00 0.00 WAT +ATOM 35645 OH2 TIP3 9779 -40.309 3.076 6.167 1.00 0.00 WAT +ATOM 35646 H1 TIP3 9779 -40.320 2.332 6.796 1.00 0.00 WAT +ATOM 35647 H2 TIP3 9779 -39.571 3.603 6.499 1.00 0.00 WAT +ATOM 35648 OH2 TIP3 9780 -29.034 6.252 2.830 1.00 0.00 WAT +ATOM 35649 H1 TIP3 9780 -29.407 5.514 3.331 1.00 0.00 WAT +ATOM 35650 H2 TIP3 9780 -28.758 6.845 3.542 1.00 0.00 WAT +ATOM 35651 OH2 TIP3 9781 -39.599 7.679 4.710 1.00 0.00 WAT +ATOM 35652 H1 TIP3 9781 -39.877 6.792 4.405 1.00 0.00 WAT +ATOM 35653 H2 TIP3 9781 -38.647 7.535 4.818 1.00 0.00 WAT +ATOM 35654 OH2 TIP3 9782 -41.820 1.898 -0.718 1.00 0.00 WAT +ATOM 35655 H1 TIP3 9782 -42.183 2.669 -0.253 1.00 0.00 WAT +ATOM 35656 H2 TIP3 9782 -42.209 1.191 -0.196 1.00 0.00 WAT +ATOM 35657 OH2 TIP3 9783 -42.108 3.493 1.810 1.00 0.00 WAT +ATOM 35658 H1 TIP3 9783 -41.821 2.808 2.437 1.00 0.00 WAT +ATOM 35659 H2 TIP3 9783 -41.277 3.874 1.502 1.00 0.00 WAT +ATOM 35660 OH2 TIP3 9784 -31.965 11.613 3.405 1.00 0.00 WAT +ATOM 35661 H1 TIP3 9784 -31.411 10.878 3.074 1.00 0.00 WAT +ATOM 35662 H2 TIP3 9784 -32.295 11.250 4.237 1.00 0.00 WAT +ATOM 35663 OH2 TIP3 9785 -34.247 5.992 5.100 1.00 0.00 WAT +ATOM 35664 H1 TIP3 9785 -33.955 5.289 4.493 1.00 0.00 WAT +ATOM 35665 H2 TIP3 9785 -33.418 6.126 5.589 1.00 0.00 WAT +ATOM 35666 OH2 TIP3 9786 -30.916 0.273 5.598 1.00 0.00 WAT +ATOM 35667 H1 TIP3 9786 -30.881 -0.710 5.625 1.00 0.00 WAT +ATOM 35668 H2 TIP3 9786 -31.075 0.407 4.650 1.00 0.00 WAT +ATOM 35669 OH2 TIP3 9787 -38.095 -1.568 2.634 1.00 0.00 WAT +ATOM 35670 H1 TIP3 9787 -37.853 -0.764 2.138 1.00 0.00 WAT +ATOM 35671 H2 TIP3 9787 -38.330 -2.174 1.911 1.00 0.00 WAT +ATOM 35672 OH2 TIP3 9788 -30.196 -1.498 1.038 1.00 0.00 WAT +ATOM 35673 H1 TIP3 9788 -29.698 -1.987 1.707 1.00 0.00 WAT +ATOM 35674 H2 TIP3 9788 -29.505 -1.031 0.548 1.00 0.00 WAT +ATOM 35675 OH2 TIP3 9789 -41.375 1.075 3.220 1.00 0.00 WAT +ATOM 35676 H1 TIP3 9789 -40.762 0.635 3.833 1.00 0.00 WAT +ATOM 35677 H2 TIP3 9789 -41.211 0.565 2.408 1.00 0.00 WAT +ATOM 35678 OH2 TIP3 9790 -35.928 2.443 2.662 1.00 0.00 WAT +ATOM 35679 H1 TIP3 9790 -35.213 1.886 3.026 1.00 0.00 WAT +ATOM 35680 H2 TIP3 9790 -36.423 1.790 2.131 1.00 0.00 WAT +ATOM 35681 OH2 TIP3 9791 -39.212 -2.882 6.898 1.00 0.00 WAT +ATOM 35682 H1 TIP3 9791 -39.562 -2.513 6.073 1.00 0.00 WAT +ATOM 35683 H2 TIP3 9791 -39.853 -2.564 7.550 1.00 0.00 WAT +ATOM 35684 OH2 TIP3 9792 -31.614 6.974 0.172 1.00 0.00 WAT +ATOM 35685 H1 TIP3 9792 -32.061 6.602 -0.595 1.00 0.00 WAT +ATOM 35686 H2 TIP3 9792 -32.162 7.753 0.378 1.00 0.00 WAT +ATOM 35687 OH2 TIP3 9793 -36.222 5.016 6.974 1.00 0.00 WAT +ATOM 35688 H1 TIP3 9793 -36.970 5.602 7.212 1.00 0.00 WAT +ATOM 35689 H2 TIP3 9793 -35.633 5.618 6.482 1.00 0.00 WAT +ATOM 35690 OH2 TIP3 9794 -39.569 -0.780 4.768 1.00 0.00 WAT +ATOM 35691 H1 TIP3 9794 -38.876 -0.230 5.180 1.00 0.00 WAT +ATOM 35692 H2 TIP3 9794 -39.028 -1.203 4.056 1.00 0.00 WAT +ATOM 35693 OH2 TIP3 9795 -38.266 6.877 7.717 1.00 0.00 WAT +ATOM 35694 H1 TIP3 9795 -38.305 7.767 7.323 1.00 0.00 WAT +ATOM 35695 H2 TIP3 9795 -39.165 6.818 8.088 1.00 0.00 WAT +ATOM 35696 OH2 TIP3 9796 -28.425 8.021 5.341 1.00 0.00 WAT +ATOM 35697 H1 TIP3 9796 -29.394 8.119 5.341 1.00 0.00 WAT +ATOM 35698 H2 TIP3 9796 -28.150 8.901 5.030 1.00 0.00 WAT +ATOM 35699 OH2 TIP3 9797 -30.167 9.966 1.959 1.00 0.00 WAT +ATOM 35700 H1 TIP3 9797 -29.729 9.170 1.604 1.00 0.00 WAT +ATOM 35701 H2 TIP3 9797 -29.523 10.662 1.740 1.00 0.00 WAT +ATOM 35702 OH2 TIP3 9798 -28.705 7.814 0.423 1.00 0.00 WAT +ATOM 35703 H1 TIP3 9798 -29.337 7.379 -0.167 1.00 0.00 WAT +ATOM 35704 H2 TIP3 9798 -28.750 7.228 1.201 1.00 0.00 WAT +ATOM 35705 OH2 TIP3 9799 -32.952 3.623 -1.288 1.00 0.00 WAT +ATOM 35706 H1 TIP3 9799 -33.661 4.157 -1.698 1.00 0.00 WAT +ATOM 35707 H2 TIP3 9799 -32.275 3.631 -1.982 1.00 0.00 WAT +ATOM 35708 OH2 TIP3 9800 -32.660 1.769 -4.236 1.00 0.00 WAT +ATOM 35709 H1 TIP3 9800 -31.939 2.075 -3.658 1.00 0.00 WAT +ATOM 35710 H2 TIP3 9800 -32.184 1.162 -4.819 1.00 0.00 WAT +ATOM 35711 OH2 TIP3 9801 -29.458 3.657 -0.271 1.00 0.00 WAT +ATOM 35712 H1 TIP3 9801 -30.140 3.776 0.428 1.00 0.00 WAT +ATOM 35713 H2 TIP3 9801 -28.828 3.058 0.181 1.00 0.00 WAT +ATOM 35714 OH2 TIP3 9802 -29.413 1.943 8.560 1.00 0.00 WAT +ATOM 35715 H1 TIP3 9802 -29.452 2.679 9.184 1.00 0.00 WAT +ATOM 35716 H2 TIP3 9802 -30.097 2.206 7.919 1.00 0.00 WAT +ATOM 35717 OH2 TIP3 9803 -37.842 4.347 1.558 1.00 0.00 WAT +ATOM 35718 H1 TIP3 9803 -38.184 3.996 0.710 1.00 0.00 WAT +ATOM 35719 H2 TIP3 9803 -37.215 3.651 1.821 1.00 0.00 WAT +ATOM 35720 OH2 TIP3 9804 -36.477 7.737 4.316 1.00 0.00 WAT +ATOM 35721 H1 TIP3 9804 -36.616 7.407 3.415 1.00 0.00 WAT +ATOM 35722 H2 TIP3 9804 -35.675 7.250 4.587 1.00 0.00 WAT +ATOM 35723 OH2 TIP3 9805 -37.296 3.168 5.046 1.00 0.00 WAT +ATOM 35724 H1 TIP3 9805 -36.743 3.152 4.238 1.00 0.00 WAT +ATOM 35725 H2 TIP3 9805 -36.839 3.818 5.608 1.00 0.00 WAT +ATOM 35726 OH2 TIP3 9806 -31.308 8.667 5.611 1.00 0.00 WAT +ATOM 35727 H1 TIP3 9806 -31.291 9.329 6.321 1.00 0.00 WAT +ATOM 35728 H2 TIP3 9806 -31.515 7.835 6.071 1.00 0.00 WAT +ATOM 35729 OH2 TIP3 9807 -36.420 7.465 9.875 1.00 0.00 WAT +ATOM 35730 H1 TIP3 9807 -36.952 8.132 10.345 1.00 0.00 WAT +ATOM 35731 H2 TIP3 9807 -37.047 7.187 9.178 1.00 0.00 WAT +ATOM 35732 OH2 TIP3 9808 -30.459 3.081 -2.836 1.00 0.00 WAT +ATOM 35733 H1 TIP3 9808 -30.016 3.321 -1.996 1.00 0.00 WAT +ATOM 35734 H2 TIP3 9808 -29.907 3.556 -3.498 1.00 0.00 WAT +ATOM 35735 OH2 TIP3 9809 -39.542 3.802 9.050 1.00 0.00 WAT +ATOM 35736 H1 TIP3 9809 -39.483 4.413 9.806 1.00 0.00 WAT +ATOM 35737 H2 TIP3 9809 -40.504 3.777 8.898 1.00 0.00 WAT +ATOM 35738 OH2 TIP3 9810 -32.972 9.629 0.782 1.00 0.00 WAT +ATOM 35739 H1 TIP3 9810 -32.577 9.929 1.607 1.00 0.00 WAT +ATOM 35740 H2 TIP3 9810 -33.541 10.369 0.522 1.00 0.00 WAT +ATOM 35741 OH2 TIP3 9811 -38.350 9.626 10.716 1.00 0.00 WAT +ATOM 35742 H1 TIP3 9811 -38.414 9.683 9.745 1.00 0.00 WAT +ATOM 35743 H2 TIP3 9811 -39.268 9.440 10.981 1.00 0.00 WAT +ATOM 35744 OH2 TIP3 9812 -26.962 -5.220 -3.485 1.00 0.00 WAT +ATOM 35745 H1 TIP3 9812 -27.636 -5.323 -2.789 1.00 0.00 WAT +ATOM 35746 H2 TIP3 9812 -26.424 -4.515 -3.137 1.00 0.00 WAT +ATOM 35747 OH2 TIP3 9813 -38.949 3.127 -0.954 1.00 0.00 WAT +ATOM 35748 H1 TIP3 9813 -39.221 3.968 -1.387 1.00 0.00 WAT +ATOM 35749 H2 TIP3 9813 -39.725 2.576 -1.145 1.00 0.00 WAT +ATOM 35750 OH2 TIP3 9814 -42.671 5.908 7.617 1.00 0.00 WAT +ATOM 35751 H1 TIP3 9814 -42.856 5.584 6.718 1.00 0.00 WAT +ATOM 35752 H2 TIP3 9814 -43.060 5.195 8.154 1.00 0.00 WAT +ATOM 35753 OH2 TIP3 9815 -42.843 8.658 4.629 1.00 0.00 WAT +ATOM 35754 H1 TIP3 9815 -41.973 8.262 4.761 1.00 0.00 WAT +ATOM 35755 H2 TIP3 9815 -42.956 9.201 5.415 1.00 0.00 WAT +ATOM 35756 OH2 TIP3 9816 -24.501 9.238 10.407 1.00 0.00 WAT +ATOM 35757 H1 TIP3 9816 -24.657 8.286 10.273 1.00 0.00 WAT +ATOM 35758 H2 TIP3 9816 -25.332 9.517 10.834 1.00 0.00 WAT +ATOM 35759 OH2 TIP3 9817 -33.787 8.516 9.308 1.00 0.00 WAT +ATOM 35760 H1 TIP3 9817 -33.723 9.343 9.826 1.00 0.00 WAT +ATOM 35761 H2 TIP3 9817 -34.688 8.209 9.534 1.00 0.00 WAT +ATOM 35762 OH2 TIP3 9818 -33.586 12.426 -0.633 1.00 0.00 WAT +ATOM 35763 H1 TIP3 9818 -33.542 12.322 -1.598 1.00 0.00 WAT +ATOM 35764 H2 TIP3 9818 -33.328 13.346 -0.488 1.00 0.00 WAT +ATOM 35765 OH2 TIP3 9819 -39.836 11.455 0.917 1.00 0.00 WAT +ATOM 35766 H1 TIP3 9819 -39.620 10.998 1.751 1.00 0.00 WAT +ATOM 35767 H2 TIP3 9819 -40.517 10.829 0.578 1.00 0.00 WAT +ATOM 35768 OH2 TIP3 9820 -30.139 11.720 -3.630 1.00 0.00 WAT +ATOM 35769 H1 TIP3 9820 -29.565 11.080 -4.096 1.00 0.00 WAT +ATOM 35770 H2 TIP3 9820 -30.200 11.309 -2.747 1.00 0.00 WAT +ATOM 35771 OH2 TIP3 9821 -30.791 11.256 -0.725 1.00 0.00 WAT +ATOM 35772 H1 TIP3 9821 -31.758 11.272 -0.629 1.00 0.00 WAT +ATOM 35773 H2 TIP3 9821 -30.596 10.473 -0.185 1.00 0.00 WAT +ATOM 35774 OH2 TIP3 9822 -27.672 0.619 10.848 1.00 0.00 WAT +ATOM 35775 H1 TIP3 9822 -28.142 1.020 10.105 1.00 0.00 WAT +ATOM 35776 H2 TIP3 9822 -27.699 -0.311 10.594 1.00 0.00 WAT +ATOM 35777 OH2 TIP3 9823 -40.743 7.319 9.124 1.00 0.00 WAT +ATOM 35778 H1 TIP3 9823 -40.418 6.710 9.810 1.00 0.00 WAT +ATOM 35779 H2 TIP3 9823 -41.475 6.818 8.700 1.00 0.00 WAT +ATOM 35780 OH2 TIP3 9824 -37.298 -3.729 4.824 1.00 0.00 WAT +ATOM 35781 H1 TIP3 9824 -37.786 -4.366 4.287 1.00 0.00 WAT +ATOM 35782 H2 TIP3 9824 -37.836 -3.619 5.610 1.00 0.00 WAT +ATOM 35783 OH2 TIP3 9825 -33.090 -4.582 8.939 1.00 0.00 WAT +ATOM 35784 H1 TIP3 9825 -32.549 -5.353 9.177 1.00 0.00 WAT +ATOM 35785 H2 TIP3 9825 -33.936 -4.980 8.666 1.00 0.00 WAT +ATOM 35786 OH2 TIP3 9826 -29.454 -1.055 9.156 1.00 0.00 WAT +ATOM 35787 H1 TIP3 9826 -30.207 -1.266 9.726 1.00 0.00 WAT +ATOM 35788 H2 TIP3 9826 -29.725 -0.241 8.711 1.00 0.00 WAT +ATOM 35789 OH2 TIP3 9827 -28.730 4.138 -4.812 1.00 0.00 WAT +ATOM 35790 H1 TIP3 9827 -28.929 3.907 -5.743 1.00 0.00 WAT +ATOM 35791 H2 TIP3 9827 -27.827 4.456 -4.886 1.00 0.00 WAT +ATOM 35792 OH2 TIP3 9828 -33.306 -2.130 -4.251 1.00 0.00 WAT +ATOM 35793 H1 TIP3 9828 -33.793 -2.284 -3.425 1.00 0.00 WAT +ATOM 35794 H2 TIP3 9828 -33.694 -2.821 -4.812 1.00 0.00 WAT +ATOM 35795 OH2 TIP3 9829 -37.570 0.591 6.265 1.00 0.00 WAT +ATOM 35796 H1 TIP3 9829 -38.251 0.670 6.950 1.00 0.00 WAT +ATOM 35797 H2 TIP3 9829 -37.554 1.483 5.860 1.00 0.00 WAT +ATOM 35798 OH2 TIP3 9830 -37.688 0.683 1.081 1.00 0.00 WAT +ATOM 35799 H1 TIP3 9830 -38.643 0.618 0.907 1.00 0.00 WAT +ATOM 35800 H2 TIP3 9830 -37.332 0.477 0.194 1.00 0.00 WAT +ATOM 35801 OH2 TIP3 9831 -32.069 1.235 -0.080 1.00 0.00 WAT +ATOM 35802 H1 TIP3 9831 -32.508 2.030 -0.449 1.00 0.00 WAT +ATOM 35803 H2 TIP3 9831 -31.397 1.054 -0.758 1.00 0.00 WAT +ATOM 35804 OH2 TIP3 9832 -32.838 1.415 11.344 1.00 0.00 WAT +ATOM 35805 H1 TIP3 9832 -33.345 0.627 11.622 1.00 0.00 WAT +ATOM 35806 H2 TIP3 9832 -31.948 1.205 11.681 1.00 0.00 WAT +ATOM 35807 OH2 TIP3 9833 -31.092 0.658 2.672 1.00 0.00 WAT +ATOM 35808 H1 TIP3 9833 -31.451 1.203 1.946 1.00 0.00 WAT +ATOM 35809 H2 TIP3 9833 -30.982 -0.188 2.195 1.00 0.00 WAT +ATOM 35810 OH2 TIP3 9834 -40.248 0.736 8.087 1.00 0.00 WAT +ATOM 35811 H1 TIP3 9834 -39.933 1.090 8.926 1.00 0.00 WAT +ATOM 35812 H2 TIP3 9834 -40.552 -0.149 8.354 1.00 0.00 WAT +ATOM 35813 OH2 TIP3 9835 -36.860 -1.691 -5.363 1.00 0.00 WAT +ATOM 35814 H1 TIP3 9835 -37.211 -2.029 -4.514 1.00 0.00 WAT +ATOM 35815 H2 TIP3 9835 -37.662 -1.547 -5.876 1.00 0.00 WAT +ATOM 35816 OH2 TIP3 9836 -43.266 -1.762 1.732 1.00 0.00 WAT +ATOM 35817 H1 TIP3 9836 -43.020 -1.934 2.658 1.00 0.00 WAT +ATOM 35818 H2 TIP3 9836 -42.716 -2.390 1.257 1.00 0.00 WAT +ATOM 35819 OH2 TIP3 9837 -42.123 -1.150 -2.388 1.00 0.00 WAT +ATOM 35820 H1 TIP3 9837 -41.489 -0.945 -3.104 1.00 0.00 WAT +ATOM 35821 H2 TIP3 9837 -42.947 -0.851 -2.787 1.00 0.00 WAT +ATOM 35822 OH2 TIP3 9838 -31.977 2.260 7.198 1.00 0.00 WAT +ATOM 35823 H1 TIP3 9838 -31.614 1.535 6.637 1.00 0.00 WAT +ATOM 35824 H2 TIP3 9838 -32.412 1.761 7.900 1.00 0.00 WAT +ATOM 35825 OH2 TIP3 9839 -34.874 -1.672 2.223 1.00 0.00 WAT +ATOM 35826 H1 TIP3 9839 -35.808 -1.885 2.382 1.00 0.00 WAT +ATOM 35827 H2 TIP3 9839 -34.460 -2.141 2.973 1.00 0.00 WAT +ATOM 35828 OH2 TIP3 9840 -40.429 -0.549 0.805 1.00 0.00 WAT +ATOM 35829 H1 TIP3 9840 -41.144 -0.438 0.173 1.00 0.00 WAT +ATOM 35830 H2 TIP3 9840 -39.984 -1.347 0.455 1.00 0.00 WAT +ATOM 35831 OH2 TIP3 9841 -36.720 -0.221 -1.498 1.00 0.00 WAT +ATOM 35832 H1 TIP3 9841 -35.752 -0.140 -1.443 1.00 0.00 WAT +ATOM 35833 H2 TIP3 9841 -36.969 0.406 -2.201 1.00 0.00 WAT +ATOM 35834 OH2 TIP3 9842 -30.852 -2.489 5.181 1.00 0.00 WAT +ATOM 35835 H1 TIP3 9842 -31.288 -2.784 5.990 1.00 0.00 WAT +ATOM 35836 H2 TIP3 9842 -31.130 -3.188 4.570 1.00 0.00 WAT +ATOM 35837 OH2 TIP3 9843 -38.244 1.000 -3.747 1.00 0.00 WAT +ATOM 35838 H1 TIP3 9843 -38.825 0.724 -4.469 1.00 0.00 WAT +ATOM 35839 H2 TIP3 9843 -37.429 1.232 -4.222 1.00 0.00 WAT +ATOM 35840 OH2 TIP3 9844 -27.496 13.143 11.822 1.00 0.00 WAT +ATOM 35841 H1 TIP3 9844 -27.265 13.597 10.993 1.00 0.00 WAT +ATOM 35842 H2 TIP3 9844 -26.792 13.454 12.417 1.00 0.00 WAT +ATOM 35843 OH2 TIP3 9845 -39.522 5.755 11.246 1.00 0.00 WAT +ATOM 35844 H1 TIP3 9845 -38.900 5.799 12.003 1.00 0.00 WAT +ATOM 35845 H2 TIP3 9845 -40.371 5.862 11.726 1.00 0.00 WAT +ATOM 35846 OH2 TIP3 9846 -33.807 0.821 4.027 1.00 0.00 WAT +ATOM 35847 H1 TIP3 9846 -33.228 0.286 3.467 1.00 0.00 WAT +ATOM 35848 H2 TIP3 9846 -34.061 0.165 4.712 1.00 0.00 WAT +ATOM 35849 OH2 TIP3 9847 -38.755 -2.848 0.136 1.00 0.00 WAT +ATOM 35850 H1 TIP3 9847 -39.132 -3.724 0.283 1.00 0.00 WAT +ATOM 35851 H2 TIP3 9847 -37.855 -3.086 -0.143 1.00 0.00 WAT +ATOM 35852 OH2 TIP3 9848 -34.829 -0.711 6.175 1.00 0.00 WAT +ATOM 35853 H1 TIP3 9848 -35.681 -0.248 6.211 1.00 0.00 WAT +ATOM 35854 H2 TIP3 9848 -34.444 -0.544 7.055 1.00 0.00 WAT +ATOM 35855 OH2 TIP3 9849 -34.774 5.664 -1.915 1.00 0.00 WAT +ATOM 35856 H1 TIP3 9849 -35.536 5.182 -2.312 1.00 0.00 WAT +ATOM 35857 H2 TIP3 9849 -35.006 5.674 -0.964 1.00 0.00 WAT +ATOM 35858 OH2 TIP3 9850 -27.492 4.909 7.127 1.00 0.00 WAT +ATOM 35859 H1 TIP3 9850 -26.816 5.157 6.469 1.00 0.00 WAT +ATOM 35860 H2 TIP3 9850 -28.203 4.579 6.557 1.00 0.00 WAT +ATOM 35861 OH2 TIP3 9851 -30.623 -1.508 -4.121 1.00 0.00 WAT +ATOM 35862 H1 TIP3 9851 -31.605 -1.569 -4.141 1.00 0.00 WAT +ATOM 35863 H2 TIP3 9851 -30.456 -0.791 -3.480 1.00 0.00 WAT +ATOM 35864 OH2 TIP3 9852 -32.989 5.649 9.441 1.00 0.00 WAT +ATOM 35865 H1 TIP3 9852 -33.369 5.266 10.244 1.00 0.00 WAT +ATOM 35866 H2 TIP3 9852 -33.396 6.529 9.418 1.00 0.00 WAT +ATOM 35867 OH2 TIP3 9853 -29.962 0.314 -2.044 1.00 0.00 WAT +ATOM 35868 H1 TIP3 9853 -29.081 0.111 -1.679 1.00 0.00 WAT +ATOM 35869 H2 TIP3 9853 -29.802 1.148 -2.519 1.00 0.00 WAT +ATOM 35870 OH2 TIP3 9854 -39.723 4.959 3.838 1.00 0.00 WAT +ATOM 35871 H1 TIP3 9854 -39.124 4.869 3.074 1.00 0.00 WAT +ATOM 35872 H2 TIP3 9854 -39.588 4.112 4.291 1.00 0.00 WAT +ATOM 35873 OH2 TIP3 9855 -32.370 6.972 -2.948 1.00 0.00 WAT +ATOM 35874 H1 TIP3 9855 -32.625 7.819 -2.541 1.00 0.00 WAT +ATOM 35875 H2 TIP3 9855 -33.137 6.414 -2.710 1.00 0.00 WAT +ATOM 35876 OH2 TIP3 9856 -42.417 3.470 9.500 1.00 0.00 WAT +ATOM 35877 H1 TIP3 9856 -42.300 2.792 10.185 1.00 0.00 WAT +ATOM 35878 H2 TIP3 9856 -42.871 2.959 8.789 1.00 0.00 WAT +ATOM 35879 OH2 TIP3 9857 -35.402 2.788 11.199 1.00 0.00 WAT +ATOM 35880 H1 TIP3 9857 -35.780 2.519 10.341 1.00 0.00 WAT +ATOM 35881 H2 TIP3 9857 -34.478 2.499 11.082 1.00 0.00 WAT +ATOM 35882 OH2 TIP3 9858 -30.794 8.289 9.003 1.00 0.00 WAT +ATOM 35883 H1 TIP3 9858 -31.728 8.231 8.743 1.00 0.00 WAT +ATOM 35884 H2 TIP3 9858 -30.877 8.532 9.945 1.00 0.00 WAT +ATOM 35885 OH2 TIP3 9859 -25.320 6.429 10.148 1.00 0.00 WAT +ATOM 35886 H1 TIP3 9859 -25.943 6.234 9.439 1.00 0.00 WAT +ATOM 35887 H2 TIP3 9859 -24.499 6.213 9.655 1.00 0.00 WAT +ATOM 35888 OH2 TIP3 9860 -27.041 8.909 -2.345 1.00 0.00 WAT +ATOM 35889 H1 TIP3 9860 -27.411 8.117 -1.928 1.00 0.00 WAT +ATOM 35890 H2 TIP3 9860 -26.475 8.558 -3.050 1.00 0.00 WAT +ATOM 35891 OH2 TIP3 9861 -29.780 4.141 5.236 1.00 0.00 WAT +ATOM 35892 H1 TIP3 9861 -30.699 3.984 4.949 1.00 0.00 WAT +ATOM 35893 H2 TIP3 9861 -29.327 3.402 4.781 1.00 0.00 WAT +ATOM 35894 OH2 TIP3 9862 -37.295 8.332 1.315 1.00 0.00 WAT +ATOM 35895 H1 TIP3 9862 -36.896 9.164 1.015 1.00 0.00 WAT +ATOM 35896 H2 TIP3 9862 -38.161 8.352 0.883 1.00 0.00 WAT +ATOM 35897 OH2 TIP3 9863 -41.505 3.338 -4.068 1.00 0.00 WAT +ATOM 35898 H1 TIP3 9863 -40.784 3.855 -3.640 1.00 0.00 WAT +ATOM 35899 H2 TIP3 9863 -42.224 3.941 -3.841 1.00 0.00 WAT +ATOM 35900 OH2 TIP3 9864 -35.411 6.007 0.878 1.00 0.00 WAT +ATOM 35901 H1 TIP3 9864 -35.782 6.897 0.964 1.00 0.00 WAT +ATOM 35902 H2 TIP3 9864 -36.136 5.463 1.223 1.00 0.00 WAT +ATOM 35903 OH2 TIP3 9865 -35.266 10.248 7.177 1.00 0.00 WAT +ATOM 35904 H1 TIP3 9865 -34.706 10.980 6.869 1.00 0.00 WAT +ATOM 35905 H2 TIP3 9865 -34.644 9.751 7.732 1.00 0.00 WAT +ATOM 35906 OH2 TIP3 9866 -36.808 11.199 0.407 1.00 0.00 WAT +ATOM 35907 H1 TIP3 9866 -37.772 11.267 0.472 1.00 0.00 WAT +ATOM 35908 H2 TIP3 9866 -36.522 12.100 0.632 1.00 0.00 WAT +ATOM 35909 OH2 TIP3 9867 -31.697 6.012 6.847 1.00 0.00 WAT +ATOM 35910 H1 TIP3 9867 -32.113 5.641 7.648 1.00 0.00 WAT +ATOM 35911 H2 TIP3 9867 -31.097 5.301 6.566 1.00 0.00 WAT +ATOM 35912 OH2 TIP3 9868 -29.637 7.384 -4.257 1.00 0.00 WAT +ATOM 35913 H1 TIP3 9868 -29.221 6.889 -3.535 1.00 0.00 WAT +ATOM 35914 H2 TIP3 9868 -30.576 7.202 -4.072 1.00 0.00 WAT +ATOM 35915 OH2 TIP3 9869 -28.900 10.558 9.134 1.00 0.00 WAT +ATOM 35916 H1 TIP3 9869 -29.659 10.131 8.685 1.00 0.00 WAT +ATOM 35917 H2 TIP3 9869 -28.773 11.360 8.591 1.00 0.00 WAT +ATOM 35918 OH2 TIP3 9870 -41.103 -1.884 8.997 1.00 0.00 WAT +ATOM 35919 H1 TIP3 9870 -41.851 -1.662 8.410 1.00 0.00 WAT +ATOM 35920 H2 TIP3 9870 -41.224 -2.830 9.199 1.00 0.00 WAT +ATOM 35921 OH2 TIP3 9871 -28.182 5.891 -1.960 1.00 0.00 WAT +ATOM 35922 H1 TIP3 9871 -28.754 5.217 -1.552 1.00 0.00 WAT +ATOM 35923 H2 TIP3 9871 -27.395 5.796 -1.419 1.00 0.00 WAT +ATOM 35924 OH2 TIP3 9872 -41.288 9.737 7.264 1.00 0.00 WAT +ATOM 35925 H1 TIP3 9872 -41.109 8.789 7.312 1.00 0.00 WAT +ATOM 35926 H2 TIP3 9872 -40.925 10.026 8.109 1.00 0.00 WAT +ATOM 35927 OH2 TIP3 9873 -35.423 8.343 -5.758 1.00 0.00 WAT +ATOM 35928 H1 TIP3 9873 -35.184 7.515 -6.212 1.00 0.00 WAT +ATOM 35929 H2 TIP3 9873 -35.909 7.995 -4.975 1.00 0.00 WAT +ATOM 35930 OH2 TIP3 9874 -36.480 7.880 -3.252 1.00 0.00 WAT +ATOM 35931 H1 TIP3 9874 -36.453 7.272 -2.504 1.00 0.00 WAT +ATOM 35932 H2 TIP3 9874 -36.666 8.737 -2.829 1.00 0.00 WAT +ATOM 35933 OH2 TIP3 9875 -32.180 -1.925 7.792 1.00 0.00 WAT +ATOM 35934 H1 TIP3 9875 -31.314 -2.105 8.176 1.00 0.00 WAT +ATOM 35935 H2 TIP3 9875 -32.611 -2.796 7.848 1.00 0.00 WAT +ATOM 35936 OH2 TIP3 9876 -31.361 -2.789 -1.344 1.00 0.00 WAT +ATOM 35937 H1 TIP3 9876 -31.212 -2.239 -2.126 1.00 0.00 WAT +ATOM 35938 H2 TIP3 9876 -30.954 -2.269 -0.632 1.00 0.00 WAT +ATOM 35939 OH2 TIP3 9877 -33.563 9.704 -2.371 1.00 0.00 WAT +ATOM 35940 H1 TIP3 9877 -34.515 9.903 -2.320 1.00 0.00 WAT +ATOM 35941 H2 TIP3 9877 -33.365 9.899 -3.299 1.00 0.00 WAT +ATOM 35942 OH2 TIP3 9878 -34.051 -0.789 -0.434 1.00 0.00 WAT +ATOM 35943 H1 TIP3 9878 -33.293 -0.193 -0.278 1.00 0.00 WAT +ATOM 35944 H2 TIP3 9878 -34.338 -0.983 0.480 1.00 0.00 WAT +ATOM 35945 OH2 TIP3 9879 -33.858 0.067 8.865 1.00 0.00 WAT +ATOM 35946 H1 TIP3 9879 -33.504 0.629 9.569 1.00 0.00 WAT +ATOM 35947 H2 TIP3 9879 -33.181 -0.629 8.754 1.00 0.00 WAT +ATOM 35948 OH2 TIP3 9880 -33.413 -3.794 0.466 1.00 0.00 WAT +ATOM 35949 H1 TIP3 9880 -33.576 -3.182 1.206 1.00 0.00 WAT +ATOM 35950 H2 TIP3 9880 -32.687 -3.348 -0.010 1.00 0.00 WAT +ATOM 35951 OH2 TIP3 9881 -36.377 10.608 -2.432 1.00 0.00 WAT +ATOM 35952 H1 TIP3 9881 -36.516 11.418 -2.957 1.00 0.00 WAT +ATOM 35953 H2 TIP3 9881 -36.565 10.911 -1.526 1.00 0.00 WAT +ATOM 35954 OH2 TIP3 9882 -37.728 -2.755 -2.952 1.00 0.00 WAT +ATOM 35955 H1 TIP3 9882 -37.681 -1.981 -2.363 1.00 0.00 WAT +ATOM 35956 H2 TIP3 9882 -36.937 -3.250 -2.660 1.00 0.00 WAT +ATOM 35957 OH2 TIP3 9883 -28.739 1.876 3.797 1.00 0.00 WAT +ATOM 35958 H1 TIP3 9883 -29.538 1.473 3.402 1.00 0.00 WAT +ATOM 35959 H2 TIP3 9883 -28.237 1.089 4.049 1.00 0.00 WAT +ATOM 35960 OH2 TIP3 9884 -41.135 0.255 -4.721 1.00 0.00 WAT +ATOM 35961 H1 TIP3 9884 -41.029 1.199 -4.518 1.00 0.00 WAT +ATOM 35962 H2 TIP3 9884 -41.946 0.213 -5.234 1.00 0.00 WAT +ATOM 35963 OH2 TIP3 9885 -27.768 10.862 5.188 1.00 0.00 WAT +ATOM 35964 H1 TIP3 9885 -28.043 11.580 4.591 1.00 0.00 WAT +ATOM 35965 H2 TIP3 9885 -26.808 11.031 5.228 1.00 0.00 WAT +ATOM 35966 OH2 TIP3 9886 -40.411 -4.724 4.047 1.00 0.00 WAT +ATOM 35967 H1 TIP3 9886 -40.536 -4.775 3.084 1.00 0.00 WAT +ATOM 35968 H2 TIP3 9886 -40.708 -5.606 4.341 1.00 0.00 WAT +ATOM 35969 OH2 TIP3 9887 -41.297 9.139 0.351 1.00 0.00 WAT +ATOM 35970 H1 TIP3 9887 -42.255 9.053 0.237 1.00 0.00 WAT +ATOM 35971 H2 TIP3 9887 -40.978 8.810 -0.498 1.00 0.00 WAT +ATOM 35972 OH2 TIP3 9888 -42.147 11.664 11.481 1.00 0.00 WAT +ATOM 35973 H1 TIP3 9888 -41.510 11.661 12.220 1.00 0.00 WAT +ATOM 35974 H2 TIP3 9888 -42.144 10.705 11.313 1.00 0.00 WAT +ATOM 35975 OH2 TIP3 9889 -37.266 10.788 13.211 1.00 0.00 WAT +ATOM 35976 H1 TIP3 9889 -36.574 10.138 13.411 1.00 0.00 WAT +ATOM 35977 H2 TIP3 9889 -37.504 10.529 12.306 1.00 0.00 WAT +ATOM 35978 OH2 TIP3 9890 -33.235 10.022 -5.210 1.00 0.00 WAT +ATOM 35979 H1 TIP3 9890 -33.997 9.418 -5.365 1.00 0.00 WAT +ATOM 35980 H2 TIP3 9890 -32.527 9.513 -5.645 1.00 0.00 WAT +ATOM 35981 OH2 TIP3 9891 -30.612 8.918 11.731 1.00 0.00 WAT +ATOM 35982 H1 TIP3 9891 -31.165 8.238 12.164 1.00 0.00 WAT +ATOM 35983 H2 TIP3 9891 -30.090 9.257 12.483 1.00 0.00 WAT +ATOM 35984 OH2 TIP3 9892 -28.250 10.061 -5.358 1.00 0.00 WAT +ATOM 35985 H1 TIP3 9892 -28.232 9.158 -5.010 1.00 0.00 WAT +ATOM 35986 H2 TIP3 9892 -27.598 10.007 -6.068 1.00 0.00 WAT +ATOM 35987 OH2 TIP3 9893 -41.992 5.720 12.110 1.00 0.00 WAT +ATOM 35988 H1 TIP3 9893 -41.887 4.822 11.759 1.00 0.00 WAT +ATOM 35989 H2 TIP3 9893 -42.850 5.979 11.743 1.00 0.00 WAT +ATOM 35990 OH2 TIP3 9894 -37.775 5.711 -5.622 1.00 0.00 WAT +ATOM 35991 H1 TIP3 9894 -37.761 5.482 -4.679 1.00 0.00 WAT +ATOM 35992 H2 TIP3 9894 -36.837 5.674 -5.865 1.00 0.00 WAT +ATOM 35993 OH2 TIP3 9895 -35.393 5.560 11.884 1.00 0.00 WAT +ATOM 35994 H1 TIP3 9895 -35.695 5.882 11.018 1.00 0.00 WAT +ATOM 35995 H2 TIP3 9895 -35.302 4.595 11.734 1.00 0.00 WAT +ATOM 35996 OH2 TIP3 9896 -32.520 7.096 -5.816 1.00 0.00 WAT +ATOM 35997 H1 TIP3 9896 -32.638 7.039 -4.853 1.00 0.00 WAT +ATOM 35998 H2 TIP3 9896 -32.601 6.146 -6.052 1.00 0.00 WAT +ATOM 35999 OH2 TIP3 9897 -29.524 5.676 9.428 1.00 0.00 WAT +ATOM 36000 H1 TIP3 9897 -29.064 5.646 8.573 1.00 0.00 WAT +ATOM 36001 H2 TIP3 9897 -30.407 6.003 9.173 1.00 0.00 WAT +ATOM 36002 OH2 TIP3 9898 -41.347 2.407 11.881 1.00 0.00 WAT +ATOM 36003 H1 TIP3 9898 -40.544 1.868 11.748 1.00 0.00 WAT +ATOM 36004 H2 TIP3 9898 -41.223 2.708 12.792 1.00 0.00 WAT +ATOM 36005 OH2 TIP3 9899 -36.621 3.860 -3.067 1.00 0.00 WAT +ATOM 36006 H1 TIP3 9899 -37.383 3.492 -2.590 1.00 0.00 WAT +ATOM 36007 H2 TIP3 9899 -36.450 3.167 -3.734 1.00 0.00 WAT +ATOM 36008 OH2 TIP3 9900 -37.508 1.663 9.223 1.00 0.00 WAT +ATOM 36009 H1 TIP3 9900 -38.061 2.462 9.307 1.00 0.00 WAT +ATOM 36010 H2 TIP3 9900 -36.894 1.918 8.513 1.00 0.00 WAT +ATOM 36011 OH2 TIP3 9901 -35.772 1.841 -4.867 1.00 0.00 WAT +ATOM 36012 H1 TIP3 9901 -35.791 1.968 -5.832 1.00 0.00 WAT +ATOM 36013 H2 TIP3 9901 -34.814 1.840 -4.687 1.00 0.00 WAT +ATOM 36014 OH2 TIP3 9902 -32.179 4.351 12.720 1.00 0.00 WAT +ATOM 36015 H1 TIP3 9902 -31.293 4.144 12.387 1.00 0.00 WAT +ATOM 36016 H2 TIP3 9902 -32.463 3.488 13.050 1.00 0.00 WAT +ATOM 36017 OH2 TIP3 9903 -36.883 -1.069 10.330 1.00 0.00 WAT +ATOM 36018 H1 TIP3 9903 -36.802 -1.735 9.619 1.00 0.00 WAT +ATOM 36019 H2 TIP3 9903 -37.043 -0.268 9.803 1.00 0.00 WAT +ATOM 36020 OH2 TIP3 9904 -36.583 -2.543 7.783 1.00 0.00 WAT +ATOM 36021 H1 TIP3 9904 -36.045 -2.170 7.060 1.00 0.00 WAT +ATOM 36022 H2 TIP3 9904 -37.470 -2.588 7.373 1.00 0.00 WAT +ATOM 36023 OH2 TIP3 9905 -34.937 2.885 8.192 1.00 0.00 WAT +ATOM 36024 H1 TIP3 9905 -34.174 2.752 7.614 1.00 0.00 WAT +ATOM 36025 H2 TIP3 9905 -35.317 3.709 7.830 1.00 0.00 WAT +ATOM 36026 OH2 TIP3 9906 -30.405 0.606 13.050 1.00 0.00 WAT +ATOM 36027 H1 TIP3 9906 -30.147 -0.301 12.852 1.00 0.00 WAT +ATOM 36028 H2 TIP3 9906 -29.543 1.052 13.001 1.00 0.00 WAT +ATOM 36029 OH2 TIP3 9907 -29.535 3.504 11.300 1.00 0.00 WAT +ATOM 36030 H1 TIP3 9907 -29.696 4.241 10.682 1.00 0.00 WAT +ATOM 36031 H2 TIP3 9907 -28.600 3.303 11.103 1.00 0.00 WAT +ATOM 36032 OH2 TIP3 9908 -38.778 0.797 12.096 1.00 0.00 WAT +ATOM 36033 H1 TIP3 9908 -39.279 -0.041 12.070 1.00 0.00 WAT +ATOM 36034 H2 TIP3 9908 -37.987 0.561 11.587 1.00 0.00 WAT +ATOM 36035 OH2 TIP3 9909 -35.779 -5.285 8.116 1.00 0.00 WAT +ATOM 36036 H1 TIP3 9909 -35.977 -4.352 7.905 1.00 0.00 WAT +ATOM 36037 H2 TIP3 9909 -36.403 -5.750 7.524 1.00 0.00 WAT +ATOM 36038 OH2 TIP3 9910 -34.542 -0.754 12.026 1.00 0.00 WAT +ATOM 36039 H1 TIP3 9910 -35.122 -0.889 12.797 1.00 0.00 WAT +ATOM 36040 H2 TIP3 9910 -35.198 -0.894 11.314 1.00 0.00 WAT +ATOM 36041 OH2 TIP3 9911 -31.836 -1.623 10.862 1.00 0.00 WAT +ATOM 36042 H1 TIP3 9911 -32.800 -1.661 10.963 1.00 0.00 WAT +ATOM 36043 H2 TIP3 9911 -31.548 -2.272 11.517 1.00 0.00 WAT +ATOM 36044 OH2 TIP3 9912 -30.791 -2.952 13.416 1.00 0.00 WAT +ATOM 36045 H1 TIP3 9912 -30.436 -3.741 12.944 1.00 0.00 WAT +ATOM 36046 H2 TIP3 9912 -30.068 -2.747 14.023 1.00 0.00 WAT +ATOM 36047 OH2 TIP3 9913 -40.041 -1.742 11.947 1.00 0.00 WAT +ATOM 36048 H1 TIP3 9913 -40.163 -2.426 11.269 1.00 0.00 WAT +ATOM 36049 H2 TIP3 9913 -40.331 -2.201 12.755 1.00 0.00 WAT +ATOM 36050 OH2 TIP3 9914 -35.896 -5.718 10.998 1.00 0.00 WAT +ATOM 36051 H1 TIP3 9914 -35.309 -6.497 10.980 1.00 0.00 WAT +ATOM 36052 H2 TIP3 9914 -35.987 -5.567 10.034 1.00 0.00 WAT +ATOM 36053 OH2 TIP3 9915 -34.804 -3.843 13.018 1.00 0.00 WAT +ATOM 36054 H1 TIP3 9915 -34.971 -4.418 12.241 1.00 0.00 WAT +ATOM 36055 H2 TIP3 9915 -35.536 -3.208 12.920 1.00 0.00 WAT +ATOM 36056 OH2 TIP3 9916 -36.009 13.269 -3.691 1.00 0.00 WAT +ATOM 36057 H1 TIP3 9916 -35.045 13.205 -3.693 1.00 0.00 WAT +ATOM 36058 H2 TIP3 9916 -36.188 13.470 -4.618 1.00 0.00 WAT +ATOM 36059 OH2 TIP3 9917 -41.843 8.070 -4.630 1.00 0.00 WAT +ATOM 36060 H1 TIP3 9917 -41.411 7.832 -3.793 1.00 0.00 WAT +ATOM 36061 H2 TIP3 9917 -42.189 7.198 -4.877 1.00 0.00 WAT +ATOM 36062 OH2 TIP3 9918 -42.812 10.855 2.490 1.00 0.00 WAT +ATOM 36063 H1 TIP3 9918 -42.740 9.920 2.744 1.00 0.00 WAT +ATOM 36064 H2 TIP3 9918 -42.416 11.279 3.262 1.00 0.00 WAT +ATOM 36065 OH2 TIP3 9919 -25.066 11.900 5.487 1.00 0.00 WAT +ATOM 36066 H1 TIP3 9919 -24.907 12.024 6.434 1.00 0.00 WAT +ATOM 36067 H2 TIP3 9919 -24.284 12.324 5.107 1.00 0.00 WAT +ATOM 36068 OH2 TIP3 9920 -25.416 11.345 8.403 1.00 0.00 WAT +ATOM 36069 H1 TIP3 9920 -25.736 10.546 7.968 1.00 0.00 WAT +ATOM 36070 H2 TIP3 9920 -24.739 10.962 8.985 1.00 0.00 WAT +ATOM 36071 OH2 TIP3 9921 -27.511 7.219 12.471 1.00 0.00 WAT +ATOM 36072 H1 TIP3 9921 -28.147 6.888 13.137 1.00 0.00 WAT +ATOM 36073 H2 TIP3 9921 -26.805 7.580 13.043 1.00 0.00 WAT +ATOM 36074 OH2 TIP3 9922 -25.394 6.011 5.367 1.00 0.00 WAT +ATOM 36075 H1 TIP3 9922 -24.677 5.751 4.781 1.00 0.00 WAT +ATOM 36076 H2 TIP3 9922 -25.489 6.949 5.122 1.00 0.00 WAT +ATOM 36077 OH2 TIP3 9923 -27.261 8.517 8.113 1.00 0.00 WAT +ATOM 36078 H1 TIP3 9923 -27.697 9.385 8.098 1.00 0.00 WAT +ATOM 36079 H2 TIP3 9923 -27.362 8.245 7.178 1.00 0.00 WAT +ATOM 36080 OH2 TIP3 9924 -26.767 0.704 -4.649 1.00 0.00 WAT +ATOM 36081 H1 TIP3 9924 -26.575 1.198 -5.450 1.00 0.00 WAT +ATOM 36082 H2 TIP3 9924 -26.873 -0.200 -5.000 1.00 0.00 WAT +ATOM 36083 OH2 TIP3 9925 -27.489 1.984 0.909 1.00 0.00 WAT +ATOM 36084 H1 TIP3 9925 -27.335 1.026 0.913 1.00 0.00 WAT +ATOM 36085 H2 TIP3 9925 -27.598 2.167 1.850 1.00 0.00 WAT +ATOM 36086 OH2 TIP3 9926 -42.560 4.374 5.192 1.00 0.00 WAT +ATOM 36087 H1 TIP3 9926 -42.255 4.581 4.295 1.00 0.00 WAT +ATOM 36088 H2 TIP3 9926 -41.758 3.942 5.563 1.00 0.00 WAT +ATOM 36089 OH2 TIP3 9927 -26.733 3.704 10.567 1.00 0.00 WAT +ATOM 36090 H1 TIP3 9927 -26.125 2.941 10.578 1.00 0.00 WAT +ATOM 36091 H2 TIP3 9927 -26.153 4.412 10.266 1.00 0.00 WAT +ATOM 36092 OH2 TIP3 9928 -25.127 1.528 11.631 1.00 0.00 WAT +ATOM 36093 H1 TIP3 9928 -25.734 0.980 11.110 1.00 0.00 WAT +ATOM 36094 H2 TIP3 9928 -24.242 1.178 11.426 1.00 0.00 WAT +ATOM 36095 OH2 TIP3 9929 -27.238 -2.005 -5.360 1.00 0.00 WAT +ATOM 36096 H1 TIP3 9929 -26.902 -2.714 -4.811 1.00 0.00 WAT +ATOM 36097 H2 TIP3 9929 -28.029 -2.406 -5.751 1.00 0.00 WAT +ATOM 36098 OH2 TIP3 9930 -27.569 -0.714 -0.727 1.00 0.00 WAT +ATOM 36099 H1 TIP3 9930 -27.384 -1.649 -0.881 1.00 0.00 WAT +ATOM 36100 H2 TIP3 9930 -26.830 -0.255 -1.154 1.00 0.00 WAT +ATOM 36101 OH2 TIP3 9931 -26.803 0.669 7.464 1.00 0.00 WAT +ATOM 36102 H1 TIP3 9931 -27.717 0.863 7.707 1.00 0.00 WAT +ATOM 36103 H2 TIP3 9931 -26.454 1.525 7.198 1.00 0.00 WAT +ATOM 36104 OH2 TIP3 9932 -42.820 -0.674 11.484 1.00 0.00 WAT +ATOM 36105 H1 TIP3 9932 -42.008 -1.055 11.116 1.00 0.00 WAT +ATOM 36106 H2 TIP3 9932 -43.448 -1.410 11.442 1.00 0.00 WAT +ATOM 36107 OH2 TIP3 9933 -41.942 -2.148 4.440 1.00 0.00 WAT +ATOM 36108 H1 TIP3 9933 -41.590 -3.054 4.394 1.00 0.00 WAT +ATOM 36109 H2 TIP3 9933 -41.130 -1.625 4.572 1.00 0.00 WAT +ATOM 36110 OH2 TIP3 9934 -43.354 0.491 5.264 1.00 0.00 WAT +ATOM 36111 H1 TIP3 9934 -42.946 -0.089 4.602 1.00 0.00 WAT +ATOM 36112 H2 TIP3 9934 -43.086 1.360 4.940 1.00 0.00 WAT +ATOM 36113 OH2 TIP3 9935 -25.393 -3.121 11.214 1.00 0.00 WAT +ATOM 36114 H1 TIP3 9935 -26.283 -2.774 11.170 1.00 0.00 WAT +ATOM 36115 H2 TIP3 9935 -25.269 -3.505 10.335 1.00 0.00 WAT +ATOM 36116 OH2 TIP3 9936 -43.142 -3.428 -1.238 1.00 0.00 WAT +ATOM 36117 H1 TIP3 9936 -43.988 -3.112 -1.585 1.00 0.00 WAT +ATOM 36118 H2 TIP3 9936 -42.548 -2.706 -1.540 1.00 0.00 WAT +ATOM 36119 OH2 TIP3 9937 -28.266 12.096 1.284 1.00 0.00 WAT +ATOM 36120 H1 TIP3 9937 -27.794 11.776 0.496 1.00 0.00 WAT +ATOM 36121 H2 TIP3 9937 -27.535 12.430 1.818 1.00 0.00 WAT +ATOM 36122 OH2 TIP3 9938 -42.924 -4.425 7.161 1.00 0.00 WAT +ATOM 36123 H1 TIP3 9938 -43.626 -4.515 7.847 1.00 0.00 WAT +ATOM 36124 H2 TIP3 9938 -43.360 -3.986 6.415 1.00 0.00 WAT +ATOM 36125 OH2 TIP3 9939 -41.197 9.099 11.833 1.00 0.00 WAT +ATOM 36126 H1 TIP3 9939 -41.649 8.449 11.284 1.00 0.00 WAT +ATOM 36127 H2 TIP3 9939 -41.360 8.742 12.735 1.00 0.00 WAT +ATOM 36128 OH2 TIP3 9940 -38.023 9.770 7.770 1.00 0.00 WAT +ATOM 36129 H1 TIP3 9940 -38.334 10.590 7.348 1.00 0.00 WAT +ATOM 36130 H2 TIP3 9940 -37.069 9.831 7.563 1.00 0.00 WAT +ATOM 36131 OH2 TIP3 9941 -33.510 11.029 10.729 1.00 0.00 WAT +ATOM 36132 H1 TIP3 9941 -33.385 10.885 11.681 1.00 0.00 WAT +ATOM 36133 H2 TIP3 9941 -32.689 11.502 10.486 1.00 0.00 WAT +ATOM 36134 OH2 TIP3 9942 -31.228 12.493 9.972 1.00 0.00 WAT +ATOM 36135 H1 TIP3 9942 -30.546 11.847 9.734 1.00 0.00 WAT +ATOM 36136 H2 TIP3 9942 -30.906 12.802 10.841 1.00 0.00 WAT +ATOM 36137 OH2 TIP3 9943 -40.676 12.819 7.975 1.00 0.00 WAT +ATOM 36138 H1 TIP3 9943 -41.370 13.287 7.475 1.00 0.00 WAT +ATOM 36139 H2 TIP3 9943 -41.033 12.856 8.868 1.00 0.00 WAT +ATOM 36140 OH2 TIP3 9944 -38.162 12.485 6.637 1.00 0.00 WAT +ATOM 36141 H1 TIP3 9944 -39.044 12.641 7.034 1.00 0.00 WAT +ATOM 36142 H2 TIP3 9944 -38.162 13.121 5.901 1.00 0.00 WAT +ATOM 36143 OH2 TIP3 9945 -33.400 12.455 6.160 1.00 0.00 WAT +ATOM 36144 H1 TIP3 9945 -33.811 12.886 5.389 1.00 0.00 WAT +ATOM 36145 H2 TIP3 9945 -33.334 13.199 6.788 1.00 0.00 WAT +ATOM 36146 OH2 TIP3 9946 -31.077 11.163 7.107 1.00 0.00 WAT +ATOM 36147 H1 TIP3 9946 -31.918 11.515 6.758 1.00 0.00 WAT +ATOM 36148 H2 TIP3 9946 -30.511 11.949 7.065 1.00 0.00 WAT +ATOM 36149 OH2 TIP3 9947 -28.570 12.908 7.284 1.00 0.00 WAT +ATOM 36150 H1 TIP3 9947 -28.592 13.854 7.040 1.00 0.00 WAT +ATOM 36151 H2 TIP3 9947 -28.257 12.513 6.451 1.00 0.00 WAT +ATOM 36152 OH2 TIP3 9948 -41.228 11.564 4.965 1.00 0.00 WAT +ATOM 36153 H1 TIP3 9948 -41.322 11.080 5.810 1.00 0.00 WAT +ATOM 36154 H2 TIP3 9948 -40.503 11.062 4.544 1.00 0.00 WAT +ATOM 36155 OH2 TIP3 9949 -39.124 10.310 3.523 1.00 0.00 WAT +ATOM 36156 H1 TIP3 9949 -39.274 9.358 3.688 1.00 0.00 WAT +ATOM 36157 H2 TIP3 9949 -38.190 10.412 3.777 1.00 0.00 WAT +ATOM 36158 OH2 TIP3 9950 -36.252 10.723 4.309 1.00 0.00 WAT +ATOM 36159 H1 TIP3 9950 -36.118 9.794 4.051 1.00 0.00 WAT +ATOM 36160 H2 TIP3 9950 -36.246 10.640 5.275 1.00 0.00 WAT +ATOM 36161 OH2 TIP3 9951 -33.243 -3.637 3.543 1.00 0.00 WAT +ATOM 36162 H1 TIP3 9951 -33.806 -4.373 3.833 1.00 0.00 WAT +ATOM 36163 H2 TIP3 9951 -32.505 -4.115 3.133 1.00 0.00 WAT +ATOM 36164 OH2 TIP3 9952 -41.083 -4.844 1.164 1.00 0.00 WAT +ATOM 36165 H1 TIP3 9952 -41.785 -5.158 0.582 1.00 0.00 WAT +ATOM 36166 H2 TIP3 9952 -40.423 -5.552 1.060 1.00 0.00 WAT +ATOM 36167 OH2 TIP3 9953 -41.834 -5.224 -3.060 1.00 0.00 WAT +ATOM 36168 H1 TIP3 9953 -41.295 -4.555 -3.529 1.00 0.00 WAT +ATOM 36169 H2 TIP3 9953 -42.321 -4.663 -2.428 1.00 0.00 WAT +ATOM 36170 OH2 TIP3 9954 -36.236 -4.485 0.912 1.00 0.00 WAT +ATOM 36171 H1 TIP3 9954 -35.270 -4.522 0.829 1.00 0.00 WAT +ATOM 36172 H2 TIP3 9954 -36.348 -5.042 1.708 1.00 0.00 WAT +ATOM 36173 OH2 TIP3 9955 -30.508 -4.942 2.602 1.00 0.00 WAT +ATOM 36174 H1 TIP3 9955 -30.350 -5.141 1.676 1.00 0.00 WAT +ATOM 36175 H2 TIP3 9955 -30.524 -5.849 2.963 1.00 0.00 WAT +ATOM 36176 OH2 TIP3 9956 -29.076 -4.655 -1.523 1.00 0.00 WAT +ATOM 36177 H1 TIP3 9956 -29.946 -4.240 -1.640 1.00 0.00 WAT +ATOM 36178 H2 TIP3 9956 -29.317 -5.529 -1.180 1.00 0.00 WAT +ATOM 36179 OH2 TIP3 9957 -41.839 10.848 -2.098 1.00 0.00 WAT +ATOM 36180 H1 TIP3 9957 -42.538 10.626 -2.718 1.00 0.00 WAT +ATOM 36181 H2 TIP3 9957 -41.879 11.810 -2.048 1.00 0.00 WAT +ATOM 36182 OH2 TIP3 9958 -40.061 -3.355 -4.478 1.00 0.00 WAT +ATOM 36183 H1 TIP3 9958 -39.467 -3.907 -5.014 1.00 0.00 WAT +ATOM 36184 H2 TIP3 9958 -39.438 -3.036 -3.793 1.00 0.00 WAT +ATOM 36185 OH2 TIP3 9959 -34.956 -3.207 -1.953 1.00 0.00 WAT +ATOM 36186 H1 TIP3 9959 -34.697 -3.832 -1.255 1.00 0.00 WAT +ATOM 36187 H2 TIP3 9959 -34.787 -2.368 -1.494 1.00 0.00 WAT +ATOM 36188 OH2 TIP3 9960 -32.848 12.639 -3.697 1.00 0.00 WAT +ATOM 36189 H1 TIP3 9960 -31.886 12.495 -3.758 1.00 0.00 WAT +ATOM 36190 H2 TIP3 9960 -33.155 11.927 -4.282 1.00 0.00 WAT +ATOM 36191 OH2 TIP3 9961 -26.453 11.581 -1.157 1.00 0.00 WAT +ATOM 36192 H1 TIP3 9961 -26.656 10.706 -1.550 1.00 0.00 WAT +ATOM 36193 H2 TIP3 9961 -26.342 12.128 -1.950 1.00 0.00 WAT +ATOM 36194 OH2 TIP3 9962 -40.803 -4.433 10.705 1.00 0.00 WAT +ATOM 36195 H1 TIP3 9962 -41.234 -5.212 11.092 1.00 0.00 WAT +ATOM 36196 H2 TIP3 9962 -39.874 -4.590 10.941 1.00 0.00 WAT +ATOM 36197 OH2 TIP3 9963 -38.393 -5.039 12.521 1.00 0.00 WAT +ATOM 36198 H1 TIP3 9963 -37.590 -5.362 12.064 1.00 0.00 WAT +ATOM 36199 H2 TIP3 9963 -38.769 -5.869 12.862 1.00 0.00 WAT +ATOM 36200 OH2 TIP3 9964 -40.070 11.834 -4.978 1.00 0.00 WAT +ATOM 36201 H1 TIP3 9964 -40.436 11.908 -4.084 1.00 0.00 WAT +ATOM 36202 H2 TIP3 9964 -39.414 11.127 -4.862 1.00 0.00 WAT +ATOM 36203 OH2 TIP3 9965 -30.130 -5.624 12.679 1.00 0.00 WAT +ATOM 36204 H1 TIP3 9965 -30.081 -6.293 13.385 1.00 0.00 WAT +ATOM 36205 H2 TIP3 9965 -29.254 -5.742 12.254 1.00 0.00 WAT +ATOM 36206 OH2 TIP3 9966 -27.065 10.319 11.254 1.00 0.00 WAT +ATOM 36207 H1 TIP3 9966 -27.780 10.444 10.602 1.00 0.00 WAT +ATOM 36208 H2 TIP3 9966 -26.987 11.236 11.580 1.00 0.00 WAT +ATOM 36209 OH2 TIP3 9967 -19.628 9.652 10.329 1.00 0.00 WAT +ATOM 36210 H1 TIP3 9967 -19.478 9.059 9.584 1.00 0.00 WAT +ATOM 36211 H2 TIP3 9967 -20.325 9.182 10.825 1.00 0.00 WAT +ATOM 36212 OH2 TIP3 9968 -23.969 5.667 7.934 1.00 0.00 WAT +ATOM 36213 H1 TIP3 9968 -24.401 5.635 7.063 1.00 0.00 WAT +ATOM 36214 H2 TIP3 9968 -23.556 4.798 8.014 1.00 0.00 WAT +ATOM 36215 OH2 TIP3 9969 -24.133 8.690 4.906 1.00 0.00 WAT +ATOM 36216 H1 TIP3 9969 -23.221 8.463 4.708 1.00 0.00 WAT +ATOM 36217 H2 TIP3 9969 -24.023 9.405 5.550 1.00 0.00 WAT +ATOM 36218 OH2 TIP3 9970 -22.454 9.609 7.306 1.00 0.00 WAT +ATOM 36219 H1 TIP3 9970 -22.026 8.750 7.393 1.00 0.00 WAT +ATOM 36220 H2 TIP3 9970 -22.074 10.095 8.052 1.00 0.00 WAT +ATOM 36221 OH2 TIP3 9971 -23.171 11.748 11.477 1.00 0.00 WAT +ATOM 36222 H1 TIP3 9971 -22.520 11.463 12.151 1.00 0.00 WAT +ATOM 36223 H2 TIP3 9971 -23.411 10.875 11.117 1.00 0.00 WAT +ATOM 36224 OH2 TIP3 9972 -18.852 11.003 13.115 1.00 0.00 WAT +ATOM 36225 H1 TIP3 9972 -18.143 10.563 13.595 1.00 0.00 WAT +ATOM 36226 H2 TIP3 9972 -18.923 10.479 12.297 1.00 0.00 WAT +ATOM 36227 OH2 TIP3 9973 -23.296 5.225 12.502 1.00 0.00 WAT +ATOM 36228 H1 TIP3 9973 -22.739 4.505 12.127 1.00 0.00 WAT +ATOM 36229 H2 TIP3 9973 -23.735 5.532 11.710 1.00 0.00 WAT +ATOM 36230 OH2 TIP3 9974 -24.358 12.732 0.680 1.00 0.00 WAT +ATOM 36231 H1 TIP3 9974 -24.944 12.321 0.021 1.00 0.00 WAT +ATOM 36232 H2 TIP3 9974 -24.121 11.955 1.233 1.00 0.00 WAT +ATOM 36233 OH2 TIP3 9975 -23.827 10.654 2.406 1.00 0.00 WAT +ATOM 36234 H1 TIP3 9975 -24.038 9.734 2.624 1.00 0.00 WAT +ATOM 36235 H2 TIP3 9975 -23.399 10.954 3.219 1.00 0.00 WAT +ATOM 36236 OH2 TIP3 9976 -22.015 9.005 11.738 1.00 0.00 WAT +ATOM 36237 H1 TIP3 9976 -22.830 8.752 11.280 1.00 0.00 WAT +ATOM 36238 H2 TIP3 9976 -21.946 8.353 12.458 1.00 0.00 WAT +ATOM 36239 OH2 TIP3 9977 -21.660 12.588 7.796 1.00 0.00 WAT +ATOM 36240 H1 TIP3 9977 -22.164 13.332 7.430 1.00 0.00 WAT +ATOM 36241 H2 TIP3 9977 -21.765 12.732 8.740 1.00 0.00 WAT +ATOM 36242 OH2 TIP3 9978 -21.959 11.317 4.865 1.00 0.00 WAT +ATOM 36243 H1 TIP3 9978 -22.010 11.038 5.801 1.00 0.00 WAT +ATOM 36244 H2 TIP3 9978 -21.162 10.861 4.572 1.00 0.00 WAT +ATOM 36245 OH2 TIP3 9979 12.178 -0.734 8.138 1.00 0.00 WAT +ATOM 36246 H1 TIP3 9979 11.331 -0.283 8.045 1.00 0.00 WAT +ATOM 36247 H2 TIP3 9979 12.185 -1.004 9.053 1.00 0.00 WAT +ATOM 36248 OH2 TIP3 9980 10.527 3.884 10.709 1.00 0.00 WAT +ATOM 36249 H1 TIP3 9980 11.153 3.178 10.839 1.00 0.00 WAT +ATOM 36250 H2 TIP3 9980 11.022 4.672 10.931 1.00 0.00 WAT +ATOM 36251 OH2 TIP3 9981 12.832 1.074 10.821 1.00 0.00 WAT +ATOM 36252 H1 TIP3 9981 11.904 1.219 11.032 1.00 0.00 WAT +ATOM 36253 H2 TIP3 9981 13.124 0.553 11.573 1.00 0.00 WAT +ATOM 36254 OH2 TIP3 9982 -2.248 11.972 -5.454 1.00 0.00 WAT +ATOM 36255 H1 TIP3 9982 -2.735 12.099 -4.639 1.00 0.00 WAT +ATOM 36256 H2 TIP3 9982 -1.647 11.251 -5.246 1.00 0.00 WAT +ATOM 36257 OH2 TIP3 9983 28.101 8.097 5.352 1.00 0.00 WAT +ATOM 36258 H1 TIP3 9983 27.172 8.318 5.257 1.00 0.00 WAT +ATOM 36259 H2 TIP3 9983 28.493 8.870 4.900 1.00 0.00 WAT +ATOM 36260 OH2 TIP3 9984 29.352 6.433 8.655 1.00 0.00 WAT +ATOM 36261 H1 TIP3 9984 29.439 5.912 7.844 1.00 0.00 WAT +ATOM 36262 H2 TIP3 9984 29.500 7.338 8.309 1.00 0.00 WAT +ATOM 36263 OH2 TIP3 9985 19.717 3.137 5.298 1.00 0.00 WAT +ATOM 36264 H1 TIP3 9985 19.459 3.175 4.373 1.00 0.00 WAT +ATOM 36265 H2 TIP3 9985 19.138 3.774 5.724 1.00 0.00 WAT +ATOM 36266 OH2 TIP3 9986 32.141 9.316 10.545 1.00 0.00 WAT +ATOM 36267 H1 TIP3 9986 32.049 8.378 10.305 1.00 0.00 WAT +ATOM 36268 H2 TIP3 9986 31.218 9.539 10.795 1.00 0.00 WAT +ATOM 36269 OH2 TIP3 9987 16.309 1.064 7.845 1.00 0.00 WAT +ATOM 36270 H1 TIP3 9987 16.334 1.314 8.763 1.00 0.00 WAT +ATOM 36271 H2 TIP3 9987 15.963 0.165 7.818 1.00 0.00 WAT +ATOM 36272 OH2 TIP3 9988 20.266 -1.605 -4.845 1.00 0.00 WAT +ATOM 36273 H1 TIP3 9988 19.986 -2.483 -4.600 1.00 0.00 WAT +ATOM 36274 H2 TIP3 9988 19.715 -1.401 -5.606 1.00 0.00 WAT +ATOM 36275 OH2 TIP3 9989 16.161 -0.640 1.041 1.00 0.00 WAT +ATOM 36276 H1 TIP3 9989 15.319 -0.343 0.681 1.00 0.00 WAT +ATOM 36277 H2 TIP3 9989 16.408 -1.334 0.437 1.00 0.00 WAT +ATOM 36278 OH2 TIP3 9990 29.100 13.111 11.808 1.00 0.00 WAT +ATOM 36279 H1 TIP3 9990 29.274 13.604 10.988 1.00 0.00 WAT +ATOM 36280 H2 TIP3 9990 29.778 13.471 12.404 1.00 0.00 WAT +ATOM 36281 OH2 TIP3 9991 31.633 6.302 10.438 1.00 0.00 WAT +ATOM 36282 H1 TIP3 9991 30.710 6.510 10.204 1.00 0.00 WAT +ATOM 36283 H2 TIP3 9991 32.013 6.127 9.550 1.00 0.00 WAT +ATOM 36284 OH2 TIP3 9992 29.461 8.814 -2.245 1.00 0.00 WAT +ATOM 36285 H1 TIP3 9992 29.281 7.983 -1.786 1.00 0.00 WAT +ATOM 36286 H2 TIP3 9992 29.970 8.526 -3.007 1.00 0.00 WAT +ATOM 36287 OH2 TIP3 9993 27.561 10.441 9.014 1.00 0.00 WAT +ATOM 36288 H1 TIP3 9993 26.733 10.213 8.557 1.00 0.00 WAT +ATOM 36289 H2 TIP3 9993 27.725 11.330 8.650 1.00 0.00 WAT +ATOM 36290 OH2 TIP3 9994 31.530 11.287 -3.779 1.00 0.00 WAT +ATOM 36291 H1 TIP3 9994 32.159 11.896 -4.182 1.00 0.00 WAT +ATOM 36292 H2 TIP3 9994 30.691 11.744 -3.924 1.00 0.00 WAT +ATOM 36293 OH2 TIP3 9995 28.725 10.846 5.086 1.00 0.00 WAT +ATOM 36294 H1 TIP3 9995 28.480 11.598 4.513 1.00 0.00 WAT +ATOM 36295 H2 TIP3 9995 29.663 11.056 5.237 1.00 0.00 WAT +ATOM 36296 OH2 TIP3 9996 26.022 8.960 12.061 1.00 0.00 WAT +ATOM 36297 H1 TIP3 9996 25.638 8.108 12.274 1.00 0.00 WAT +ATOM 36298 H2 TIP3 9996 26.610 9.124 12.818 1.00 0.00 WAT +ATOM 36299 OH2 TIP3 9997 26.183 5.543 8.995 1.00 0.00 WAT +ATOM 36300 H1 TIP3 9997 27.085 5.880 8.923 1.00 0.00 WAT +ATOM 36301 H2 TIP3 9997 25.693 6.274 9.387 1.00 0.00 WAT +ATOM 36302 OH2 TIP3 9998 27.096 3.625 11.080 1.00 0.00 WAT +ATOM 36303 H1 TIP3 9998 26.610 4.101 10.384 1.00 0.00 WAT +ATOM 36304 H2 TIP3 9998 27.992 3.577 10.689 1.00 0.00 WAT +ATOM 36305 OH2 TIP3 9999 31.435 11.982 5.517 1.00 0.00 WAT +ATOM 36306 H1 TIP3 9999 31.582 11.968 6.474 1.00 0.00 WAT +ATOM 36307 H2 TIP3 9999 32.302 12.260 5.190 1.00 0.00 WAT +ATOM 36308 OH2 TIP3 10000 31.292 11.417 8.389 1.00 0.00 WAT +ATOM 36309 H1 TIP3 10000 30.779 10.672 8.028 1.00 0.00 WAT +ATOM 36310 H2 TIP3 10000 31.861 10.948 9.017 1.00 0.00 WAT +ATOM 36311 OH2 TIP3 10001 29.304 6.843 12.713 1.00 0.00 WAT +ATOM 36312 H1 TIP3 10001 28.415 6.955 13.085 1.00 0.00 WAT +ATOM 36313 H2 TIP3 10001 29.759 7.662 12.975 1.00 0.00 WAT +ATOM 36314 OH2 TIP3 10002 31.082 6.115 5.545 1.00 0.00 WAT +ATOM 36315 H1 TIP3 10002 31.709 5.792 4.890 1.00 0.00 WAT +ATOM 36316 H2 TIP3 10002 30.912 7.010 5.213 1.00 0.00 WAT +ATOM 36317 OH2 TIP3 10003 29.572 9.044 7.663 1.00 0.00 WAT +ATOM 36318 H1 TIP3 10003 28.842 9.499 8.128 1.00 0.00 WAT +ATOM 36319 H2 TIP3 10003 29.144 8.800 6.819 1.00 0.00 WAT +ATOM 36320 OH2 TIP3 10004 29.775 3.805 10.444 1.00 0.00 WAT +ATOM 36321 H1 TIP3 10004 30.577 3.277 10.306 1.00 0.00 WAT +ATOM 36322 H2 TIP3 10004 30.067 4.672 10.124 1.00 0.00 WAT +ATOM 36323 OH2 TIP3 10005 31.753 2.105 11.342 1.00 0.00 WAT +ATOM 36324 H1 TIP3 10005 30.860 1.791 11.478 1.00 0.00 WAT +ATOM 36325 H2 TIP3 10005 32.284 1.285 11.378 1.00 0.00 WAT +ATOM 36326 OH2 TIP3 10006 31.884 -5.158 12.926 1.00 0.00 WAT +ATOM 36327 H1 TIP3 10006 32.061 -5.938 12.371 1.00 0.00 WAT +ATOM 36328 H2 TIP3 10006 31.861 -4.467 12.247 1.00 0.00 WAT +ATOM 36329 OH2 TIP3 10007 13.224 0.898 4.736 1.00 0.00 WAT +ATOM 36330 H1 TIP3 10007 13.429 0.130 4.189 1.00 0.00 WAT +ATOM 36331 H2 TIP3 10007 13.925 0.876 5.383 1.00 0.00 WAT +ATOM 36332 OH2 TIP3 10008 31.359 -3.268 10.776 1.00 0.00 WAT +ATOM 36333 H1 TIP3 10008 30.443 -3.224 11.059 1.00 0.00 WAT +ATOM 36334 H2 TIP3 10008 31.311 -4.051 10.194 1.00 0.00 WAT +ATOM 36335 OH2 TIP3 10009 28.116 11.718 1.190 1.00 0.00 WAT +ATOM 36336 H1 TIP3 10009 28.723 11.419 0.503 1.00 0.00 WAT +ATOM 36337 H2 TIP3 10009 28.671 12.236 1.775 1.00 0.00 WAT +ATOM 36338 OH2 TIP3 10010 24.955 12.236 9.948 1.00 0.00 WAT +ATOM 36339 H1 TIP3 10010 25.619 11.564 9.762 1.00 0.00 WAT +ATOM 36340 H2 TIP3 10010 25.214 12.523 10.839 1.00 0.00 WAT +ATOM 36341 OH2 TIP3 10011 15.641 12.732 7.865 1.00 0.00 WAT +ATOM 36342 H1 TIP3 10011 14.814 13.146 7.587 1.00 0.00 WAT +ATOM 36343 H2 TIP3 10011 15.550 12.782 8.828 1.00 0.00 WAT +ATOM 36344 OH2 TIP3 10012 18.557 12.394 6.900 1.00 0.00 WAT +ATOM 36345 H1 TIP3 10012 17.634 12.230 7.156 1.00 0.00 WAT +ATOM 36346 H2 TIP3 10012 18.481 12.668 5.983 1.00 0.00 WAT +ATOM 36347 OH2 TIP3 10013 23.275 12.419 6.015 1.00 0.00 WAT +ATOM 36348 H1 TIP3 10013 22.913 12.974 5.312 1.00 0.00 WAT +ATOM 36349 H2 TIP3 10013 23.194 13.006 6.780 1.00 0.00 WAT +ATOM 36350 OH2 TIP3 10014 25.463 10.888 7.051 1.00 0.00 WAT +ATOM 36351 H1 TIP3 10014 24.620 11.200 6.657 1.00 0.00 WAT +ATOM 36352 H2 TIP3 10014 26.004 11.676 6.895 1.00 0.00 WAT +ATOM 36353 OH2 TIP3 10015 28.008 12.856 7.307 1.00 0.00 WAT +ATOM 36354 H1 TIP3 10015 27.866 13.791 7.065 1.00 0.00 WAT +ATOM 36355 H2 TIP3 10015 28.261 12.488 6.443 1.00 0.00 WAT +ATOM 36356 OH2 TIP3 10016 30.106 11.613 -1.048 1.00 0.00 WAT +ATOM 36357 H1 TIP3 10016 29.942 10.734 -1.445 1.00 0.00 WAT +ATOM 36358 H2 TIP3 10016 30.134 12.168 -1.836 1.00 0.00 WAT +ATOM 36359 OH2 TIP3 10017 29.554 10.341 11.301 1.00 0.00 WAT +ATOM 36360 H1 TIP3 10017 28.801 10.147 10.716 1.00 0.00 WAT +ATOM 36361 H2 TIP3 10017 29.411 11.293 11.476 1.00 0.00 WAT +ATOM 36362 OH2 TIP3 10018 42.119 3.153 4.563 1.00 0.00 WAT +ATOM 36363 H1 TIP3 10018 42.905 3.411 5.080 1.00 0.00 WAT +ATOM 36364 H2 TIP3 10018 42.479 3.106 3.670 1.00 0.00 WAT +ATOM 36365 OH2 TIP3 10019 34.947 3.268 6.129 1.00 0.00 WAT +ATOM 36366 H1 TIP3 10019 34.923 2.436 6.623 1.00 0.00 WAT +ATOM 36367 H2 TIP3 10019 35.784 3.658 6.400 1.00 0.00 WAT +ATOM 36368 OH2 TIP3 10020 35.793 7.634 4.668 1.00 0.00 WAT +ATOM 36369 H1 TIP3 10020 35.539 6.748 4.328 1.00 0.00 WAT +ATOM 36370 H2 TIP3 10020 36.733 7.485 4.849 1.00 0.00 WAT +ATOM 36371 OH2 TIP3 10021 41.195 5.997 5.200 1.00 0.00 WAT +ATOM 36372 H1 TIP3 10021 41.448 5.268 4.609 1.00 0.00 WAT +ATOM 36373 H2 TIP3 10021 42.047 6.212 5.601 1.00 0.00 WAT +ATOM 36374 OH2 TIP3 10022 37.400 -1.746 2.728 1.00 0.00 WAT +ATOM 36375 H1 TIP3 10022 37.614 -0.900 2.296 1.00 0.00 WAT +ATOM 36376 H2 TIP3 10022 37.080 -2.263 1.961 1.00 0.00 WAT +ATOM 36377 OH2 TIP3 10023 33.846 1.262 3.241 1.00 0.00 WAT +ATOM 36378 H1 TIP3 10023 34.081 0.705 3.991 1.00 0.00 WAT +ATOM 36379 H2 TIP3 10023 33.794 0.639 2.512 1.00 0.00 WAT +ATOM 36380 OH2 TIP3 10024 39.436 2.413 2.678 1.00 0.00 WAT +ATOM 36381 H1 TIP3 10024 40.225 1.954 3.033 1.00 0.00 WAT +ATOM 36382 H2 TIP3 10024 39.026 1.684 2.181 1.00 0.00 WAT +ATOM 36383 OH2 TIP3 10025 36.250 -2.805 6.808 1.00 0.00 WAT +ATOM 36384 H1 TIP3 10025 35.824 -2.353 6.055 1.00 0.00 WAT +ATOM 36385 H2 TIP3 10025 35.586 -2.661 7.504 1.00 0.00 WAT +ATOM 36386 OH2 TIP3 10026 39.165 4.952 6.988 1.00 0.00 WAT +ATOM 36387 H1 TIP3 10026 38.436 5.563 7.217 1.00 0.00 WAT +ATOM 36388 H2 TIP3 10026 39.812 5.547 6.567 1.00 0.00 WAT +ATOM 36389 OH2 TIP3 10027 35.603 -0.945 4.805 1.00 0.00 WAT +ATOM 36390 H1 TIP3 10027 36.232 -0.290 5.151 1.00 0.00 WAT +ATOM 36391 H2 TIP3 10027 36.086 -1.277 4.028 1.00 0.00 WAT +ATOM 36392 OH2 TIP3 10028 37.167 6.889 7.689 1.00 0.00 WAT +ATOM 36393 H1 TIP3 10028 37.123 7.802 7.351 1.00 0.00 WAT +ATOM 36394 H2 TIP3 10028 36.288 6.813 8.099 1.00 0.00 WAT +ATOM 36395 OH2 TIP3 10029 40.357 -5.392 3.984 1.00 0.00 WAT +ATOM 36396 H1 TIP3 10029 40.120 -6.337 3.966 1.00 0.00 WAT +ATOM 36397 H2 TIP3 10029 39.528 -4.999 4.321 1.00 0.00 WAT +ATOM 36398 OH2 TIP3 10030 42.646 3.403 -1.429 1.00 0.00 WAT +ATOM 36399 H1 TIP3 10030 42.000 4.118 -1.588 1.00 0.00 WAT +ATOM 36400 H2 TIP3 10030 43.406 3.727 -1.922 1.00 0.00 WAT +ATOM 36401 OH2 TIP3 10031 42.899 1.925 -4.247 1.00 0.00 WAT +ATOM 36402 H1 TIP3 10031 43.673 1.947 -3.659 1.00 0.00 WAT +ATOM 36403 H2 TIP3 10031 43.028 1.125 -4.762 1.00 0.00 WAT +ATOM 36404 OH2 TIP3 10032 37.816 4.490 1.545 1.00 0.00 WAT +ATOM 36405 H1 TIP3 10032 37.438 4.093 0.754 1.00 0.00 WAT +ATOM 36406 H2 TIP3 10032 38.401 3.785 1.886 1.00 0.00 WAT +ATOM 36407 OH2 TIP3 10033 38.958 7.692 4.316 1.00 0.00 WAT +ATOM 36408 H1 TIP3 10033 38.884 7.336 3.419 1.00 0.00 WAT +ATOM 36409 H2 TIP3 10033 39.765 7.249 4.641 1.00 0.00 WAT +ATOM 36410 OH2 TIP3 10034 38.031 3.174 5.061 1.00 0.00 WAT +ATOM 36411 H1 TIP3 10034 38.640 3.115 4.300 1.00 0.00 WAT +ATOM 36412 H2 TIP3 10034 38.497 3.790 5.658 1.00 0.00 WAT +ATOM 36413 OH2 TIP3 10035 39.036 7.505 9.873 1.00 0.00 WAT +ATOM 36414 H1 TIP3 10035 38.494 8.163 10.340 1.00 0.00 WAT +ATOM 36415 H2 TIP3 10035 38.419 7.207 9.176 1.00 0.00 WAT +ATOM 36416 OH2 TIP3 10036 36.005 3.842 8.985 1.00 0.00 WAT +ATOM 36417 H1 TIP3 10036 35.959 4.377 9.795 1.00 0.00 WAT +ATOM 36418 H2 TIP3 10036 35.069 3.739 8.755 1.00 0.00 WAT +ATOM 36419 OH2 TIP3 10037 42.396 9.573 0.819 1.00 0.00 WAT +ATOM 36420 H1 TIP3 10037 42.990 10.064 1.411 1.00 0.00 WAT +ATOM 36421 H2 TIP3 10037 41.979 10.281 0.315 1.00 0.00 WAT +ATOM 36422 OH2 TIP3 10038 37.108 9.679 10.704 1.00 0.00 WAT +ATOM 36423 H1 TIP3 10038 37.022 9.699 9.733 1.00 0.00 WAT +ATOM 36424 H2 TIP3 10038 36.231 9.368 10.996 1.00 0.00 WAT +ATOM 36425 OH2 TIP3 10039 32.613 5.786 7.879 1.00 0.00 WAT +ATOM 36426 H1 TIP3 10039 32.107 5.833 7.038 1.00 0.00 WAT +ATOM 36427 H2 TIP3 10039 32.792 4.822 7.935 1.00 0.00 WAT +ATOM 36428 OH2 TIP3 10040 32.569 8.650 4.732 1.00 0.00 WAT +ATOM 36429 H1 TIP3 10040 33.491 8.352 4.755 1.00 0.00 WAT +ATOM 36430 H2 TIP3 10040 32.541 9.264 5.477 1.00 0.00 WAT +ATOM 36431 OH2 TIP3 10041 41.747 8.487 9.425 1.00 0.00 WAT +ATOM 36432 H1 TIP3 10041 41.781 9.401 9.738 1.00 0.00 WAT +ATOM 36433 H2 TIP3 10041 40.821 8.225 9.578 1.00 0.00 WAT +ATOM 36434 OH2 TIP3 10042 41.720 12.409 -0.749 1.00 0.00 WAT +ATOM 36435 H1 TIP3 10042 42.063 12.322 -1.650 1.00 0.00 WAT +ATOM 36436 H2 TIP3 10042 42.138 13.209 -0.412 1.00 0.00 WAT +ATOM 36437 OH2 TIP3 10043 35.616 11.427 0.921 1.00 0.00 WAT +ATOM 36438 H1 TIP3 10043 35.813 10.941 1.745 1.00 0.00 WAT +ATOM 36439 H2 TIP3 10043 34.868 10.899 0.590 1.00 0.00 WAT +ATOM 36440 OH2 TIP3 10044 34.714 7.346 9.107 1.00 0.00 WAT +ATOM 36441 H1 TIP3 10044 35.045 6.826 9.868 1.00 0.00 WAT +ATOM 36442 H2 TIP3 10044 34.029 6.768 8.722 1.00 0.00 WAT +ATOM 36443 OH2 TIP3 10045 37.737 -4.385 4.741 1.00 0.00 WAT +ATOM 36444 H1 TIP3 10045 36.840 -4.452 4.362 1.00 0.00 WAT +ATOM 36445 H2 TIP3 10045 37.642 -3.559 5.240 1.00 0.00 WAT +ATOM 36446 OH2 TIP3 10046 42.312 -4.856 9.103 1.00 0.00 WAT +ATOM 36447 H1 TIP3 10046 42.455 -5.601 9.705 1.00 0.00 WAT +ATOM 36448 H2 TIP3 10046 41.413 -5.057 8.769 1.00 0.00 WAT +ATOM 36449 OH2 TIP3 10047 42.325 -2.077 -4.166 1.00 0.00 WAT +ATOM 36450 H1 TIP3 10047 41.677 -2.260 -3.473 1.00 0.00 WAT +ATOM 36451 H2 TIP3 10047 42.043 -2.711 -4.843 1.00 0.00 WAT +ATOM 36452 OH2 TIP3 10048 37.689 0.513 6.200 1.00 0.00 WAT +ATOM 36453 H1 TIP3 10048 37.040 0.612 6.915 1.00 0.00 WAT +ATOM 36454 H2 TIP3 10048 37.738 1.415 5.826 1.00 0.00 WAT +ATOM 36455 OH2 TIP3 10049 37.840 0.444 1.011 1.00 0.00 WAT +ATOM 36456 H1 TIP3 10049 36.888 0.345 0.857 1.00 0.00 WAT +ATOM 36457 H2 TIP3 10049 38.188 0.214 0.122 1.00 0.00 WAT +ATOM 36458 OH2 TIP3 10050 42.798 0.970 0.252 1.00 0.00 WAT +ATOM 36459 H1 TIP3 10050 42.644 1.924 0.124 1.00 0.00 WAT +ATOM 36460 H2 TIP3 10050 43.186 0.733 -0.594 1.00 0.00 WAT +ATOM 36461 OH2 TIP3 10051 42.517 1.462 11.470 1.00 0.00 WAT +ATOM 36462 H1 TIP3 10051 41.937 0.676 11.577 1.00 0.00 WAT +ATOM 36463 H2 TIP3 10051 43.381 1.004 11.478 1.00 0.00 WAT +ATOM 36464 OH2 TIP3 10052 35.180 0.752 7.997 1.00 0.00 WAT +ATOM 36465 H1 TIP3 10052 35.475 1.048 8.865 1.00 0.00 WAT +ATOM 36466 H2 TIP3 10052 34.861 -0.149 8.176 1.00 0.00 WAT +ATOM 36467 OH2 TIP3 10053 38.598 -1.619 -5.323 1.00 0.00 WAT +ATOM 36468 H1 TIP3 10053 38.173 -2.060 -4.565 1.00 0.00 WAT +ATOM 36469 H2 TIP3 10053 37.855 -1.514 -5.937 1.00 0.00 WAT +ATOM 36470 OH2 TIP3 10054 33.682 -1.121 -2.371 1.00 0.00 WAT +ATOM 36471 H1 TIP3 10054 33.951 -0.909 -3.274 1.00 0.00 WAT +ATOM 36472 H2 TIP3 10054 32.738 -0.963 -2.395 1.00 0.00 WAT +ATOM 36473 OH2 TIP3 10055 43.515 1.970 7.519 1.00 0.00 WAT +ATOM 36474 H1 TIP3 10055 43.788 1.354 6.806 1.00 0.00 WAT +ATOM 36475 H2 TIP3 10055 42.714 1.526 7.825 1.00 0.00 WAT +ATOM 36476 OH2 TIP3 10056 40.456 -2.010 2.160 1.00 0.00 WAT +ATOM 36477 H1 TIP3 10056 39.528 -1.909 2.422 1.00 0.00 WAT +ATOM 36478 H2 TIP3 10056 40.901 -1.739 2.981 1.00 0.00 WAT +ATOM 36479 OH2 TIP3 10057 34.886 -0.475 0.734 1.00 0.00 WAT +ATOM 36480 H1 TIP3 10057 34.148 -0.341 0.123 1.00 0.00 WAT +ATOM 36481 H2 TIP3 10057 35.237 -1.327 0.420 1.00 0.00 WAT +ATOM 36482 OH2 TIP3 10058 38.710 -0.203 -1.558 1.00 0.00 WAT +ATOM 36483 H1 TIP3 10058 39.680 -0.155 -1.503 1.00 0.00 WAT +ATOM 36484 H2 TIP3 10058 38.490 0.368 -2.315 1.00 0.00 WAT +ATOM 36485 OH2 TIP3 10059 37.151 1.051 -3.744 1.00 0.00 WAT +ATOM 36486 H1 TIP3 10059 36.572 0.774 -4.473 1.00 0.00 WAT +ATOM 36487 H2 TIP3 10059 37.973 1.210 -4.233 1.00 0.00 WAT +ATOM 36488 OH2 TIP3 10060 35.815 5.803 11.250 1.00 0.00 WAT +ATOM 36489 H1 TIP3 10060 36.507 5.864 11.941 1.00 0.00 WAT +ATOM 36490 H2 TIP3 10060 35.023 5.762 11.813 1.00 0.00 WAT +ATOM 36491 OH2 TIP3 10061 41.378 0.358 3.536 1.00 0.00 WAT +ATOM 36492 H1 TIP3 10061 42.190 0.086 3.090 1.00 0.00 WAT +ATOM 36493 H2 TIP3 10061 41.641 0.305 4.471 1.00 0.00 WAT +ATOM 36494 OH2 TIP3 10062 36.662 -2.877 0.278 1.00 0.00 WAT +ATOM 36495 H1 TIP3 10062 36.125 -3.690 0.290 1.00 0.00 WAT +ATOM 36496 H2 TIP3 10062 37.409 -3.143 -0.273 1.00 0.00 WAT +ATOM 36497 OH2 TIP3 10063 40.472 -0.885 6.264 1.00 0.00 WAT +ATOM 36498 H1 TIP3 10063 39.768 -0.238 6.098 1.00 0.00 WAT +ATOM 36499 H2 TIP3 10063 40.979 -0.462 6.979 1.00 0.00 WAT +ATOM 36500 OH2 TIP3 10064 40.719 5.435 -1.882 1.00 0.00 WAT +ATOM 36501 H1 TIP3 10064 39.894 5.010 -2.193 1.00 0.00 WAT +ATOM 36502 H2 TIP3 10064 40.536 5.612 -0.932 1.00 0.00 WAT +ATOM 36503 OH2 TIP3 10065 42.029 5.471 9.386 1.00 0.00 WAT +ATOM 36504 H1 TIP3 10065 41.850 5.383 10.324 1.00 0.00 WAT +ATOM 36505 H2 TIP3 10065 42.143 6.427 9.262 1.00 0.00 WAT +ATOM 36506 OH2 TIP3 10066 35.649 4.992 3.658 1.00 0.00 WAT +ATOM 36507 H1 TIP3 10066 36.450 4.814 3.143 1.00 0.00 WAT +ATOM 36508 H2 TIP3 10066 35.517 4.165 4.157 1.00 0.00 WAT +ATOM 36509 OH2 TIP3 10067 42.955 6.870 -2.997 1.00 0.00 WAT +ATOM 36510 H1 TIP3 10067 42.980 7.653 -2.427 1.00 0.00 WAT +ATOM 36511 H2 TIP3 10067 42.277 6.338 -2.545 1.00 0.00 WAT +ATOM 36512 OH2 TIP3 10068 32.893 3.236 8.900 1.00 0.00 WAT +ATOM 36513 H1 TIP3 10068 33.074 2.862 9.782 1.00 0.00 WAT +ATOM 36514 H2 TIP3 10068 32.414 2.522 8.460 1.00 0.00 WAT +ATOM 36515 OH2 TIP3 10069 40.013 2.777 11.198 1.00 0.00 WAT +ATOM 36516 H1 TIP3 10069 39.657 2.491 10.337 1.00 0.00 WAT +ATOM 36517 H2 TIP3 10069 40.950 2.526 11.102 1.00 0.00 WAT +ATOM 36518 OH2 TIP3 10070 38.112 8.307 1.226 1.00 0.00 WAT +ATOM 36519 H1 TIP3 10070 38.561 9.150 1.060 1.00 0.00 WAT +ATOM 36520 H2 TIP3 10070 37.217 8.491 0.915 1.00 0.00 WAT +ATOM 36521 OH2 TIP3 10071 40.127 6.095 0.768 1.00 0.00 WAT +ATOM 36522 H1 TIP3 10071 39.855 7.011 0.930 1.00 0.00 WAT +ATOM 36523 H2 TIP3 10071 39.426 5.601 1.218 1.00 0.00 WAT +ATOM 36524 OH2 TIP3 10072 40.195 10.286 7.217 1.00 0.00 WAT +ATOM 36525 H1 TIP3 10072 40.773 10.994 6.856 1.00 0.00 WAT +ATOM 36526 H2 TIP3 10072 40.850 9.739 7.671 1.00 0.00 WAT +ATOM 36527 OH2 TIP3 10073 38.577 11.185 0.405 1.00 0.00 WAT +ATOM 36528 H1 TIP3 10073 37.624 11.340 0.478 1.00 0.00 WAT +ATOM 36529 H2 TIP3 10073 38.949 12.056 0.634 1.00 0.00 WAT +ATOM 36530 OH2 TIP3 10074 34.258 -2.030 8.808 1.00 0.00 WAT +ATOM 36531 H1 TIP3 10074 33.353 -1.868 8.512 1.00 0.00 WAT +ATOM 36532 H2 TIP3 10074 34.190 -2.890 9.259 1.00 0.00 WAT +ATOM 36533 OH2 TIP3 10075 34.107 9.692 7.214 1.00 0.00 WAT +ATOM 36534 H1 TIP3 10075 34.406 8.779 7.335 1.00 0.00 WAT +ATOM 36535 H2 TIP3 10075 34.374 10.077 8.057 1.00 0.00 WAT +ATOM 36536 OH2 TIP3 10076 39.901 8.365 -5.809 1.00 0.00 WAT +ATOM 36537 H1 TIP3 10076 40.290 7.586 -6.249 1.00 0.00 WAT +ATOM 36538 H2 TIP3 10076 39.575 7.960 -4.985 1.00 0.00 WAT +ATOM 36539 OH2 TIP3 10077 38.826 7.808 -3.084 1.00 0.00 WAT +ATOM 36540 H1 TIP3 10077 39.331 7.300 -2.434 1.00 0.00 WAT +ATOM 36541 H2 TIP3 10077 38.954 8.726 -2.768 1.00 0.00 WAT +ATOM 36542 OH2 TIP3 10078 43.370 -1.772 7.893 1.00 0.00 WAT +ATOM 36543 H1 TIP3 10078 43.769 -2.560 8.269 1.00 0.00 WAT +ATOM 36544 H2 TIP3 10078 42.782 -2.152 7.222 1.00 0.00 WAT +ATOM 36545 OH2 TIP3 10079 41.680 9.549 -2.430 1.00 0.00 WAT +ATOM 36546 H1 TIP3 10079 40.846 10.033 -2.320 1.00 0.00 WAT +ATOM 36547 H2 TIP3 10079 42.097 10.006 -3.163 1.00 0.00 WAT +ATOM 36548 OH2 TIP3 10080 41.199 -1.054 -0.446 1.00 0.00 WAT +ATOM 36549 H1 TIP3 10080 41.842 -0.364 -0.176 1.00 0.00 WAT +ATOM 36550 H2 TIP3 10080 40.862 -1.274 0.445 1.00 0.00 WAT +ATOM 36551 OH2 TIP3 10081 41.599 0.044 8.791 1.00 0.00 WAT +ATOM 36552 H1 TIP3 10081 41.876 0.611 9.520 1.00 0.00 WAT +ATOM 36553 H2 TIP3 10081 42.337 -0.592 8.696 1.00 0.00 WAT +ATOM 36554 OH2 TIP3 10082 41.917 -3.854 0.722 1.00 0.00 WAT +ATOM 36555 H1 TIP3 10082 41.653 -3.077 1.268 1.00 0.00 WAT +ATOM 36556 H2 TIP3 10082 42.728 -3.516 0.303 1.00 0.00 WAT +ATOM 36557 OH2 TIP3 10083 38.927 10.550 -2.452 1.00 0.00 WAT +ATOM 36558 H1 TIP3 10083 38.897 11.380 -2.968 1.00 0.00 WAT +ATOM 36559 H2 TIP3 10083 38.823 10.873 -1.538 1.00 0.00 WAT +ATOM 36560 OH2 TIP3 10084 37.668 -2.792 -2.935 1.00 0.00 WAT +ATOM 36561 H1 TIP3 10084 37.703 -1.977 -2.408 1.00 0.00 WAT +ATOM 36562 H2 TIP3 10084 38.500 -3.235 -2.693 1.00 0.00 WAT +ATOM 36563 OH2 TIP3 10085 35.996 8.190 -3.981 1.00 0.00 WAT +ATOM 36564 H1 TIP3 10085 36.725 8.510 -3.433 1.00 0.00 WAT +ATOM 36565 H2 TIP3 10085 36.365 7.344 -4.265 1.00 0.00 WAT +ATOM 36566 OH2 TIP3 10086 34.912 -4.896 4.200 1.00 0.00 WAT +ATOM 36567 H1 TIP3 10086 34.647 -4.679 3.299 1.00 0.00 WAT +ATOM 36568 H2 TIP3 10086 34.497 -5.759 4.332 1.00 0.00 WAT +ATOM 36569 OH2 TIP3 10087 34.174 8.831 0.329 1.00 0.00 WAT +ATOM 36570 H1 TIP3 10087 33.217 8.946 0.329 1.00 0.00 WAT +ATOM 36571 H2 TIP3 10087 34.405 9.099 -0.568 1.00 0.00 WAT +ATOM 36572 OH2 TIP3 10088 33.465 11.734 11.418 1.00 0.00 WAT +ATOM 36573 H1 TIP3 10088 34.033 11.448 12.159 1.00 0.00 WAT +ATOM 36574 H2 TIP3 10088 33.074 10.885 11.130 1.00 0.00 WAT +ATOM 36575 OH2 TIP3 10089 38.137 10.767 13.237 1.00 0.00 WAT +ATOM 36576 H1 TIP3 10089 38.829 10.106 13.396 1.00 0.00 WAT +ATOM 36577 H2 TIP3 10089 37.890 10.549 12.321 1.00 0.00 WAT +ATOM 36578 OH2 TIP3 10090 42.299 10.045 -5.466 1.00 0.00 WAT +ATOM 36579 H1 TIP3 10090 41.491 9.493 -5.448 1.00 0.00 WAT +ATOM 36580 H2 TIP3 10090 42.959 9.336 -5.575 1.00 0.00 WAT +ATOM 36581 OH2 TIP3 10091 33.354 5.349 12.552 1.00 0.00 WAT +ATOM 36582 H1 TIP3 10091 33.512 4.480 12.145 1.00 0.00 WAT +ATOM 36583 H2 TIP3 10091 32.626 5.678 11.989 1.00 0.00 WAT +ATOM 36584 OH2 TIP3 10092 37.480 5.646 -5.640 1.00 0.00 WAT +ATOM 36585 H1 TIP3 10092 37.646 5.175 -4.808 1.00 0.00 WAT +ATOM 36586 H2 TIP3 10092 38.391 5.723 -5.984 1.00 0.00 WAT +ATOM 36587 OH2 TIP3 10093 40.051 5.566 11.878 1.00 0.00 WAT +ATOM 36588 H1 TIP3 10093 39.799 5.893 10.997 1.00 0.00 WAT +ATOM 36589 H2 TIP3 10093 40.143 4.603 11.727 1.00 0.00 WAT +ATOM 36590 OH2 TIP3 10094 42.622 7.152 -5.806 1.00 0.00 WAT +ATOM 36591 H1 TIP3 10094 42.799 7.206 -4.844 1.00 0.00 WAT +ATOM 36592 H2 TIP3 10094 42.504 6.192 -5.899 1.00 0.00 WAT +ATOM 36593 OH2 TIP3 10095 34.527 2.681 11.574 1.00 0.00 WAT +ATOM 36594 H1 TIP3 10095 35.194 1.978 11.601 1.00 0.00 WAT +ATOM 36595 H2 TIP3 10095 34.305 2.772 12.508 1.00 0.00 WAT +ATOM 36596 OH2 TIP3 10096 38.547 3.876 -3.012 1.00 0.00 WAT +ATOM 36597 H1 TIP3 10096 37.978 3.277 -2.517 1.00 0.00 WAT +ATOM 36598 H2 TIP3 10096 38.919 3.272 -3.683 1.00 0.00 WAT +ATOM 36599 OH2 TIP3 10097 37.979 1.657 9.159 1.00 0.00 WAT +ATOM 36600 H1 TIP3 10097 37.406 2.435 9.294 1.00 0.00 WAT +ATOM 36601 H2 TIP3 10097 38.533 1.956 8.419 1.00 0.00 WAT +ATOM 36602 OH2 TIP3 10098 39.768 1.913 -4.765 1.00 0.00 WAT +ATOM 36603 H1 TIP3 10098 39.678 1.934 -5.735 1.00 0.00 WAT +ATOM 36604 H2 TIP3 10098 40.730 2.010 -4.665 1.00 0.00 WAT +ATOM 36605 OH2 TIP3 10099 42.854 4.122 12.889 1.00 0.00 WAT +ATOM 36606 H1 TIP3 10099 43.494 3.807 12.242 1.00 0.00 WAT +ATOM 36607 H2 TIP3 10099 42.666 3.293 13.360 1.00 0.00 WAT +ATOM 36608 OH2 TIP3 10100 38.552 -1.055 10.312 1.00 0.00 WAT +ATOM 36609 H1 TIP3 10100 38.624 -1.722 9.604 1.00 0.00 WAT +ATOM 36610 H2 TIP3 10100 38.405 -0.247 9.787 1.00 0.00 WAT +ATOM 36611 OH2 TIP3 10101 38.863 -2.619 7.741 1.00 0.00 WAT +ATOM 36612 H1 TIP3 10101 39.367 -2.049 7.122 1.00 0.00 WAT +ATOM 36613 H2 TIP3 10101 37.958 -2.589 7.363 1.00 0.00 WAT +ATOM 36614 OH2 TIP3 10102 40.670 2.777 8.059 1.00 0.00 WAT +ATOM 36615 H1 TIP3 10102 41.358 2.777 7.382 1.00 0.00 WAT +ATOM 36616 H2 TIP3 10102 40.288 3.662 7.923 1.00 0.00 WAT +ATOM 36617 OH2 TIP3 10103 36.807 0.732 12.122 1.00 0.00 WAT +ATOM 36618 H1 TIP3 10103 36.249 -0.063 12.075 1.00 0.00 WAT +ATOM 36619 H2 TIP3 10103 37.586 0.449 11.615 1.00 0.00 WAT +ATOM 36620 OH2 TIP3 10104 39.687 -5.248 8.110 1.00 0.00 WAT +ATOM 36621 H1 TIP3 10104 39.465 -4.311 7.917 1.00 0.00 WAT +ATOM 36622 H2 TIP3 10104 39.021 -5.709 7.563 1.00 0.00 WAT +ATOM 36623 OH2 TIP3 10105 41.023 -0.786 11.856 1.00 0.00 WAT +ATOM 36624 H1 TIP3 10105 40.615 -1.041 12.697 1.00 0.00 WAT +ATOM 36625 H2 TIP3 10105 40.302 -1.003 11.234 1.00 0.00 WAT +ATOM 36626 OH2 TIP3 10106 35.418 -1.799 11.908 1.00 0.00 WAT +ATOM 36627 H1 TIP3 10106 35.352 -2.532 11.272 1.00 0.00 WAT +ATOM 36628 H2 TIP3 10106 35.200 -2.260 12.738 1.00 0.00 WAT +ATOM 36629 OH2 TIP3 10107 39.446 -5.782 10.928 1.00 0.00 WAT +ATOM 36630 H1 TIP3 10107 40.066 -6.525 10.950 1.00 0.00 WAT +ATOM 36631 H2 TIP3 10107 39.397 -5.618 9.964 1.00 0.00 WAT +ATOM 36632 OH2 TIP3 10108 40.337 -3.987 12.885 1.00 0.00 WAT +ATOM 36633 H1 TIP3 10108 40.100 -4.530 12.106 1.00 0.00 WAT +ATOM 36634 H2 TIP3 10108 39.721 -3.242 12.809 1.00 0.00 WAT +ATOM 36635 OH2 TIP3 10109 39.543 13.125 -3.731 1.00 0.00 WAT +ATOM 36636 H1 TIP3 10109 40.505 13.138 -3.626 1.00 0.00 WAT +ATOM 36637 H2 TIP3 10109 39.455 13.583 -4.579 1.00 0.00 WAT +ATOM 36638 OH2 TIP3 10110 33.159 7.558 -4.996 1.00 0.00 WAT +ATOM 36639 H1 TIP3 10110 33.788 7.892 -4.332 1.00 0.00 WAT +ATOM 36640 H2 TIP3 10110 33.064 6.649 -4.715 1.00 0.00 WAT +ATOM 36641 OH2 TIP3 10111 32.287 12.785 0.504 1.00 0.00 WAT +ATOM 36642 H1 TIP3 10111 31.568 12.368 -0.013 1.00 0.00 WAT +ATOM 36643 H2 TIP3 10111 32.479 12.066 1.143 1.00 0.00 WAT +ATOM 36644 OH2 TIP3 10112 32.730 10.747 2.476 1.00 0.00 WAT +ATOM 36645 H1 TIP3 10112 32.475 9.838 2.700 1.00 0.00 WAT +ATOM 36646 H2 TIP3 10112 33.082 11.035 3.329 1.00 0.00 WAT +ATOM 36647 OH2 TIP3 10113 32.812 -0.542 11.382 1.00 0.00 WAT +ATOM 36648 H1 TIP3 10113 33.752 -0.805 11.352 1.00 0.00 WAT +ATOM 36649 H2 TIP3 10113 32.393 -1.380 11.124 1.00 0.00 WAT +ATOM 36650 OH2 TIP3 10114 34.557 8.732 12.083 1.00 0.00 WAT +ATOM 36651 H1 TIP3 10114 33.874 8.711 11.397 1.00 0.00 WAT +ATOM 36652 H2 TIP3 10114 34.039 8.756 12.895 1.00 0.00 WAT +ATOM 36653 OH2 TIP3 10115 37.400 9.756 7.741 1.00 0.00 WAT +ATOM 36654 H1 TIP3 10115 37.103 10.599 7.355 1.00 0.00 WAT +ATOM 36655 H2 TIP3 10115 38.358 9.824 7.552 1.00 0.00 WAT +ATOM 36656 OH2 TIP3 10116 42.184 11.383 10.617 1.00 0.00 WAT +ATOM 36657 H1 TIP3 10116 42.048 10.993 11.492 1.00 0.00 WAT +ATOM 36658 H2 TIP3 10116 43.139 11.577 10.661 1.00 0.00 WAT +ATOM 36659 OH2 TIP3 10117 34.779 12.698 8.058 1.00 0.00 WAT +ATOM 36660 H1 TIP3 10117 34.181 13.314 7.598 1.00 0.00 WAT +ATOM 36661 H2 TIP3 10117 34.407 12.719 8.947 1.00 0.00 WAT +ATOM 36662 OH2 TIP3 10118 37.291 12.474 6.640 1.00 0.00 WAT +ATOM 36663 H1 TIP3 10118 36.428 12.656 7.061 1.00 0.00 WAT +ATOM 36664 H2 TIP3 10118 37.323 13.146 5.937 1.00 0.00 WAT +ATOM 36665 OH2 TIP3 10119 41.948 12.243 6.192 1.00 0.00 WAT +ATOM 36666 H1 TIP3 10119 41.794 12.693 5.347 1.00 0.00 WAT +ATOM 36667 H2 TIP3 10119 42.581 12.823 6.626 1.00 0.00 WAT +ATOM 36668 OH2 TIP3 10120 34.360 11.491 5.006 1.00 0.00 WAT +ATOM 36669 H1 TIP3 10120 34.339 10.984 5.846 1.00 0.00 WAT +ATOM 36670 H2 TIP3 10120 35.099 11.040 4.545 1.00 0.00 WAT +ATOM 36671 OH2 TIP3 10121 36.346 10.235 3.483 1.00 0.00 WAT +ATOM 36672 H1 TIP3 10121 36.222 9.283 3.673 1.00 0.00 WAT +ATOM 36673 H2 TIP3 10121 37.277 10.371 3.746 1.00 0.00 WAT +ATOM 36674 OH2 TIP3 10122 39.114 10.728 4.320 1.00 0.00 WAT +ATOM 36675 H1 TIP3 10122 39.358 9.823 4.061 1.00 0.00 WAT +ATOM 36676 H2 TIP3 10122 39.207 10.673 5.283 1.00 0.00 WAT +ATOM 36677 OH2 TIP3 10123 42.643 -3.792 3.727 1.00 0.00 WAT +ATOM 36678 H1 TIP3 10123 41.778 -4.235 3.757 1.00 0.00 WAT +ATOM 36679 H2 TIP3 10123 42.979 -4.069 2.869 1.00 0.00 WAT +ATOM 36680 OH2 TIP3 10124 34.788 -5.148 0.929 1.00 0.00 WAT +ATOM 36681 H1 TIP3 10124 33.873 -5.311 0.667 1.00 0.00 WAT +ATOM 36682 H2 TIP3 10124 35.036 -5.981 1.342 1.00 0.00 WAT +ATOM 36683 OH2 TIP3 10125 33.668 -5.169 -2.809 1.00 0.00 WAT +ATOM 36684 H1 TIP3 10125 34.082 -4.533 -3.426 1.00 0.00 WAT +ATOM 36685 H2 TIP3 10125 32.938 -4.652 -2.456 1.00 0.00 WAT +ATOM 36686 OH2 TIP3 10126 39.315 -4.945 1.081 1.00 0.00 WAT +ATOM 36687 H1 TIP3 10126 40.222 -4.605 0.968 1.00 0.00 WAT +ATOM 36688 H2 TIP3 10126 39.267 -4.982 2.044 1.00 0.00 WAT +ATOM 36689 OH2 TIP3 10127 33.757 10.766 -1.878 1.00 0.00 WAT +ATOM 36690 H1 TIP3 10127 33.047 10.577 -2.512 1.00 0.00 WAT +ATOM 36691 H2 TIP3 10127 33.688 11.729 -1.810 1.00 0.00 WAT +ATOM 36692 OH2 TIP3 10128 35.255 -3.446 -4.397 1.00 0.00 WAT +ATOM 36693 H1 TIP3 10128 35.848 -3.832 -5.062 1.00 0.00 WAT +ATOM 36694 H2 TIP3 10128 35.898 -3.082 -3.762 1.00 0.00 WAT +ATOM 36695 OH2 TIP3 10129 40.624 -3.232 -1.962 1.00 0.00 WAT +ATOM 36696 H1 TIP3 10129 40.652 -3.848 -1.215 1.00 0.00 WAT +ATOM 36697 H2 TIP3 10129 40.631 -2.374 -1.491 1.00 0.00 WAT +ATOM 36698 OH2 TIP3 10130 42.627 12.401 -3.697 1.00 0.00 WAT +ATOM 36699 H1 TIP3 10130 43.516 12.763 -3.863 1.00 0.00 WAT +ATOM 36700 H2 TIP3 10130 42.500 11.797 -4.449 1.00 0.00 WAT +ATOM 36701 OH2 TIP3 10131 34.597 -4.401 10.770 1.00 0.00 WAT +ATOM 36702 H1 TIP3 10131 34.177 -5.247 11.020 1.00 0.00 WAT +ATOM 36703 H2 TIP3 10131 35.530 -4.618 10.914 1.00 0.00 WAT +ATOM 36704 OH2 TIP3 10132 37.023 -5.063 12.489 1.00 0.00 WAT +ATOM 36705 H1 TIP3 10132 37.837 -5.401 12.063 1.00 0.00 WAT +ATOM 36706 H2 TIP3 10132 36.634 -5.886 12.818 1.00 0.00 WAT +ATOM 36707 OH2 TIP3 10133 35.271 11.749 -4.990 1.00 0.00 WAT +ATOM 36708 H1 TIP3 10133 34.957 11.890 -4.082 1.00 0.00 WAT +ATOM 36709 H2 TIP3 10133 36.010 11.133 -4.840 1.00 0.00 WAT +ATOM 36710 OH2 TIP3 10134 -31.643 22.841 1.397 1.00 0.00 WAT +ATOM 36711 H1 TIP3 10134 -31.592 23.789 1.606 1.00 0.00 WAT +ATOM 36712 H2 TIP3 10134 -32.388 22.837 0.777 1.00 0.00 WAT +ATOM 36713 OH2 TIP3 10135 -32.731 22.331 4.502 1.00 0.00 WAT +ATOM 36714 H1 TIP3 10135 -32.748 21.805 5.319 1.00 0.00 WAT +ATOM 36715 H2 TIP3 10135 -33.051 21.689 3.852 1.00 0.00 WAT +ATOM 36716 OH2 TIP3 10136 -40.266 21.928 6.145 1.00 0.00 WAT +ATOM 36717 H1 TIP3 10136 -40.327 21.192 6.783 1.00 0.00 WAT +ATOM 36718 H2 TIP3 10136 -39.601 22.488 6.569 1.00 0.00 WAT +ATOM 36719 OH2 TIP3 10137 -29.088 25.072 2.835 1.00 0.00 WAT +ATOM 36720 H1 TIP3 10137 -29.436 24.372 3.402 1.00 0.00 WAT +ATOM 36721 H2 TIP3 10137 -28.780 25.707 3.497 1.00 0.00 WAT +ATOM 36722 OH2 TIP3 10138 -39.593 26.551 4.672 1.00 0.00 WAT +ATOM 36723 H1 TIP3 10138 -39.882 25.658 4.402 1.00 0.00 WAT +ATOM 36724 H2 TIP3 10138 -38.654 26.393 4.852 1.00 0.00 WAT +ATOM 36725 OH2 TIP3 10139 -42.138 20.247 -1.112 1.00 0.00 WAT +ATOM 36726 H1 TIP3 10139 -42.521 21.069 -0.772 1.00 0.00 WAT +ATOM 36727 H2 TIP3 10139 -42.915 19.675 -1.139 1.00 0.00 WAT +ATOM 36728 OH2 TIP3 10140 -42.065 22.296 1.717 1.00 0.00 WAT +ATOM 36729 H1 TIP3 10140 -41.861 21.683 2.439 1.00 0.00 WAT +ATOM 36730 H2 TIP3 10140 -41.217 22.723 1.553 1.00 0.00 WAT +ATOM 36731 OH2 TIP3 10141 -32.005 30.441 3.391 1.00 0.00 WAT +ATOM 36732 H1 TIP3 10141 -31.418 29.728 3.076 1.00 0.00 WAT +ATOM 36733 H2 TIP3 10141 -32.287 30.104 4.250 1.00 0.00 WAT +ATOM 36734 OH2 TIP3 10142 -34.256 24.847 5.074 1.00 0.00 WAT +ATOM 36735 H1 TIP3 10142 -33.924 24.133 4.504 1.00 0.00 WAT +ATOM 36736 H2 TIP3 10142 -33.446 25.010 5.597 1.00 0.00 WAT +ATOM 36737 OH2 TIP3 10143 -25.510 16.392 5.644 1.00 0.00 WAT +ATOM 36738 H1 TIP3 10143 -25.291 16.950 6.410 1.00 0.00 WAT +ATOM 36739 H2 TIP3 10143 -24.869 16.724 4.989 1.00 0.00 WAT +ATOM 36740 OH2 TIP3 10144 -30.963 19.191 5.564 1.00 0.00 WAT +ATOM 36741 H1 TIP3 10144 -30.812 18.235 5.654 1.00 0.00 WAT +ATOM 36742 H2 TIP3 10144 -31.061 19.279 4.604 1.00 0.00 WAT +ATOM 36743 OH2 TIP3 10145 -37.974 17.198 2.661 1.00 0.00 WAT +ATOM 36744 H1 TIP3 10145 -37.862 18.053 2.201 1.00 0.00 WAT +ATOM 36745 H2 TIP3 10145 -38.336 16.655 1.932 1.00 0.00 WAT +ATOM 36746 OH2 TIP3 10146 -30.323 17.300 0.627 1.00 0.00 WAT +ATOM 36747 H1 TIP3 10146 -29.925 16.762 1.344 1.00 0.00 WAT +ATOM 36748 H2 TIP3 10146 -29.513 17.763 0.325 1.00 0.00 WAT +ATOM 36749 OH2 TIP3 10147 -41.376 19.939 3.192 1.00 0.00 WAT +ATOM 36750 H1 TIP3 10147 -40.799 19.517 3.851 1.00 0.00 WAT +ATOM 36751 H2 TIP3 10147 -41.196 19.387 2.412 1.00 0.00 WAT +ATOM 36752 OH2 TIP3 10148 -35.896 21.303 2.607 1.00 0.00 WAT +ATOM 36753 H1 TIP3 10148 -35.220 20.742 3.034 1.00 0.00 WAT +ATOM 36754 H2 TIP3 10148 -36.444 20.637 2.153 1.00 0.00 WAT +ATOM 36755 OH2 TIP3 10149 -24.873 17.696 8.145 1.00 0.00 WAT +ATOM 36756 H1 TIP3 10149 -25.448 18.446 7.913 1.00 0.00 WAT +ATOM 36757 H2 TIP3 10149 -24.927 17.717 9.110 1.00 0.00 WAT +ATOM 36758 OH2 TIP3 10150 -39.172 16.027 6.832 1.00 0.00 WAT +ATOM 36759 H1 TIP3 10150 -39.643 16.442 6.096 1.00 0.00 WAT +ATOM 36760 H2 TIP3 10150 -39.808 16.173 7.560 1.00 0.00 WAT +ATOM 36761 OH2 TIP3 10151 -31.707 25.743 0.224 1.00 0.00 WAT +ATOM 36762 H1 TIP3 10151 -32.011 25.541 -0.665 1.00 0.00 WAT +ATOM 36763 H2 TIP3 10151 -32.148 26.592 0.409 1.00 0.00 WAT +ATOM 36764 OH2 TIP3 10152 -36.257 23.867 6.944 1.00 0.00 WAT +ATOM 36765 H1 TIP3 10152 -36.987 24.465 7.213 1.00 0.00 WAT +ATOM 36766 H2 TIP3 10152 -35.637 24.480 6.509 1.00 0.00 WAT +ATOM 36767 OH2 TIP3 10153 -28.444 16.689 2.946 1.00 0.00 WAT +ATOM 36768 H1 TIP3 10153 -28.722 16.006 3.569 1.00 0.00 WAT +ATOM 36769 H2 TIP3 10153 -27.834 17.209 3.497 1.00 0.00 WAT +ATOM 36770 OH2 TIP3 10154 -39.576 18.073 4.733 1.00 0.00 WAT +ATOM 36771 H1 TIP3 10154 -38.929 18.633 5.210 1.00 0.00 WAT +ATOM 36772 H2 TIP3 10154 -38.995 17.682 4.045 1.00 0.00 WAT +ATOM 36773 OH2 TIP3 10155 -38.271 25.733 7.686 1.00 0.00 WAT +ATOM 36774 H1 TIP3 10155 -38.301 26.649 7.354 1.00 0.00 WAT +ATOM 36775 H2 TIP3 10155 -39.158 25.673 8.087 1.00 0.00 WAT +ATOM 36776 OH2 TIP3 10156 -41.822 25.373 -1.419 1.00 0.00 WAT +ATOM 36777 H1 TIP3 10156 -42.637 25.548 -1.931 1.00 0.00 WAT +ATOM 36778 H2 TIP3 10156 -41.911 25.988 -0.672 1.00 0.00 WAT +ATOM 36779 OH2 TIP3 10157 -28.508 26.888 5.323 1.00 0.00 WAT +ATOM 36780 H1 TIP3 10157 -29.476 27.015 5.344 1.00 0.00 WAT +ATOM 36781 H2 TIP3 10157 -28.223 27.745 4.960 1.00 0.00 WAT +ATOM 36782 OH2 TIP3 10158 -28.145 15.791 6.834 1.00 0.00 WAT +ATOM 36783 H1 TIP3 10158 -28.924 16.172 6.389 1.00 0.00 WAT +ATOM 36784 H2 TIP3 10158 -27.436 15.955 6.185 1.00 0.00 WAT +ATOM 36785 OH2 TIP3 10159 -35.039 13.473 3.923 1.00 0.00 WAT +ATOM 36786 H1 TIP3 10159 -35.278 12.527 3.865 1.00 0.00 WAT +ATOM 36787 H2 TIP3 10159 -35.866 13.858 4.282 1.00 0.00 WAT +ATOM 36788 OH2 TIP3 10160 -30.193 28.824 1.906 1.00 0.00 WAT +ATOM 36789 H1 TIP3 10160 -29.707 28.040 1.583 1.00 0.00 WAT +ATOM 36790 H2 TIP3 10160 -29.527 29.526 1.783 1.00 0.00 WAT +ATOM 36791 OH2 TIP3 10161 -28.746 26.689 0.509 1.00 0.00 WAT +ATOM 36792 H1 TIP3 10161 -29.265 26.235 -0.170 1.00 0.00 WAT +ATOM 36793 H2 TIP3 10161 -28.809 26.057 1.250 1.00 0.00 WAT +ATOM 36794 OH2 TIP3 10162 -27.238 25.527 9.004 1.00 0.00 WAT +ATOM 36795 H1 TIP3 10162 -27.312 24.870 8.287 1.00 0.00 WAT +ATOM 36796 H2 TIP3 10162 -27.073 26.350 8.507 1.00 0.00 WAT +ATOM 36797 OH2 TIP3 10163 -32.834 22.406 -1.344 1.00 0.00 WAT +ATOM 36798 H1 TIP3 10163 -33.526 23.030 -1.644 1.00 0.00 WAT +ATOM 36799 H2 TIP3 10163 -32.189 22.481 -2.062 1.00 0.00 WAT +ATOM 36800 OH2 TIP3 10164 -32.642 20.627 -4.189 1.00 0.00 WAT +ATOM 36801 H1 TIP3 10164 -31.882 20.861 -3.625 1.00 0.00 WAT +ATOM 36802 H2 TIP3 10164 -32.216 20.046 -4.835 1.00 0.00 WAT +ATOM 36803 OH2 TIP3 10165 -25.466 21.675 6.943 1.00 0.00 WAT +ATOM 36804 H1 TIP3 10165 -26.162 22.354 7.028 1.00 0.00 WAT +ATOM 36805 H2 TIP3 10165 -24.953 22.022 6.189 1.00 0.00 WAT +ATOM 36806 OH2 TIP3 10166 -29.438 22.383 -0.218 1.00 0.00 WAT +ATOM 36807 H1 TIP3 10166 -30.097 22.653 0.461 1.00 0.00 WAT +ATOM 36808 H2 TIP3 10166 -28.815 21.854 0.315 1.00 0.00 WAT +ATOM 36809 OH2 TIP3 10167 -29.607 20.959 8.617 1.00 0.00 WAT +ATOM 36810 H1 TIP3 10167 -29.536 21.779 9.133 1.00 0.00 WAT +ATOM 36811 H2 TIP3 10167 -30.252 21.255 7.951 1.00 0.00 WAT +ATOM 36812 OH2 TIP3 10168 -37.815 23.207 1.543 1.00 0.00 WAT +ATOM 36813 H1 TIP3 10168 -38.160 22.779 0.736 1.00 0.00 WAT +ATOM 36814 H2 TIP3 10168 -37.182 22.545 1.870 1.00 0.00 WAT +ATOM 36815 OH2 TIP3 10169 -36.483 26.587 4.303 1.00 0.00 WAT +ATOM 36816 H1 TIP3 10169 -36.588 26.226 3.412 1.00 0.00 WAT +ATOM 36817 H2 TIP3 10169 -35.677 26.128 4.611 1.00 0.00 WAT +ATOM 36818 OH2 TIP3 10170 -37.262 22.025 5.017 1.00 0.00 WAT +ATOM 36819 H1 TIP3 10170 -36.667 22.073 4.246 1.00 0.00 WAT +ATOM 36820 H2 TIP3 10170 -36.876 22.678 5.629 1.00 0.00 WAT +ATOM 36821 OH2 TIP3 10171 -31.313 27.521 5.623 1.00 0.00 WAT +ATOM 36822 H1 TIP3 10171 -31.290 28.189 6.329 1.00 0.00 WAT +ATOM 36823 H2 TIP3 10171 -31.533 26.699 6.096 1.00 0.00 WAT +ATOM 36824 OH2 TIP3 10172 -36.424 26.326 9.878 1.00 0.00 WAT +ATOM 36825 H1 TIP3 10172 -36.952 26.991 10.355 1.00 0.00 WAT +ATOM 36826 H2 TIP3 10172 -37.057 26.051 9.186 1.00 0.00 WAT +ATOM 36827 OH2 TIP3 10173 -30.357 21.373 -2.614 1.00 0.00 WAT +ATOM 36828 H1 TIP3 10173 -29.880 21.782 -1.857 1.00 0.00 WAT +ATOM 36829 H2 TIP3 10173 -29.909 21.843 -3.357 1.00 0.00 WAT +ATOM 36830 OH2 TIP3 10174 -39.559 22.674 9.026 1.00 0.00 WAT +ATOM 36831 H1 TIP3 10174 -39.478 23.268 9.793 1.00 0.00 WAT +ATOM 36832 H2 TIP3 10174 -40.529 22.627 8.930 1.00 0.00 WAT +ATOM 36833 OH2 TIP3 10175 -33.026 28.462 0.801 1.00 0.00 WAT +ATOM 36834 H1 TIP3 10175 -32.566 28.770 1.591 1.00 0.00 WAT +ATOM 36835 H2 TIP3 10175 -33.523 29.246 0.520 1.00 0.00 WAT +ATOM 36836 OH2 TIP3 10176 -38.351 28.480 10.722 1.00 0.00 WAT +ATOM 36837 H1 TIP3 10176 -38.424 28.535 9.752 1.00 0.00 WAT +ATOM 36838 H2 TIP3 10176 -39.269 28.298 10.995 1.00 0.00 WAT +ATOM 36839 OH2 TIP3 10177 -26.887 13.444 -3.439 1.00 0.00 WAT +ATOM 36840 H1 TIP3 10177 -27.722 13.484 -2.955 1.00 0.00 WAT +ATOM 36841 H2 TIP3 10177 -26.511 14.325 -3.312 1.00 0.00 WAT +ATOM 36842 OH2 TIP3 10178 -38.917 21.926 -0.928 1.00 0.00 WAT +ATOM 36843 H1 TIP3 10178 -39.167 22.699 -1.463 1.00 0.00 WAT +ATOM 36844 H2 TIP3 10178 -39.609 21.290 -1.166 1.00 0.00 WAT +ATOM 36845 OH2 TIP3 10179 -25.642 27.732 -4.743 1.00 0.00 WAT +ATOM 36846 H1 TIP3 10179 -25.507 28.669 -4.498 1.00 0.00 WAT +ATOM 36847 H2 TIP3 10179 -24.769 27.349 -4.533 1.00 0.00 WAT +ATOM 36848 OH2 TIP3 10180 -42.660 24.759 7.614 1.00 0.00 WAT +ATOM 36849 H1 TIP3 10180 -42.876 24.426 6.727 1.00 0.00 WAT +ATOM 36850 H2 TIP3 10180 -43.066 24.074 8.175 1.00 0.00 WAT +ATOM 36851 OH2 TIP3 10181 -42.820 27.541 4.589 1.00 0.00 WAT +ATOM 36852 H1 TIP3 10181 -41.962 27.140 4.778 1.00 0.00 WAT +ATOM 36853 H2 TIP3 10181 -42.996 28.047 5.390 1.00 0.00 WAT +ATOM 36854 OH2 TIP3 10182 -24.415 28.128 10.526 1.00 0.00 WAT +ATOM 36855 H1 TIP3 10182 -24.514 27.173 10.349 1.00 0.00 WAT +ATOM 36856 H2 TIP3 10182 -25.330 28.362 10.787 1.00 0.00 WAT +ATOM 36857 OH2 TIP3 10183 -33.778 27.366 9.323 1.00 0.00 WAT +ATOM 36858 H1 TIP3 10183 -33.714 28.198 9.832 1.00 0.00 WAT +ATOM 36859 H2 TIP3 10183 -34.686 27.072 9.536 1.00 0.00 WAT +ATOM 36860 OH2 TIP3 10184 -33.472 31.187 -0.712 1.00 0.00 WAT +ATOM 36861 H1 TIP3 10184 -33.490 31.286 -1.680 1.00 0.00 WAT +ATOM 36862 H2 TIP3 10184 -33.438 32.105 -0.401 1.00 0.00 WAT +ATOM 36863 OH2 TIP3 10185 -39.758 30.313 0.918 1.00 0.00 WAT +ATOM 36864 H1 TIP3 10185 -39.538 29.900 1.777 1.00 0.00 WAT +ATOM 36865 H2 TIP3 10185 -40.554 29.804 0.692 1.00 0.00 WAT +ATOM 36866 OH2 TIP3 10186 -30.189 30.608 -3.534 1.00 0.00 WAT +ATOM 36867 H1 TIP3 10186 -29.613 29.953 -3.974 1.00 0.00 WAT +ATOM 36868 H2 TIP3 10186 -30.247 30.237 -2.630 1.00 0.00 WAT +ATOM 36869 OH2 TIP3 10187 -30.797 30.032 -0.733 1.00 0.00 WAT +ATOM 36870 H1 TIP3 10187 -31.749 30.180 -0.591 1.00 0.00 WAT +ATOM 36871 H2 TIP3 10187 -30.638 29.326 -0.083 1.00 0.00 WAT +ATOM 36872 OH2 TIP3 10188 -27.648 19.507 10.927 1.00 0.00 WAT +ATOM 36873 H1 TIP3 10188 -28.138 19.899 10.192 1.00 0.00 WAT +ATOM 36874 H2 TIP3 10188 -27.587 18.573 10.646 1.00 0.00 WAT +ATOM 36875 OH2 TIP3 10189 -40.711 26.160 9.087 1.00 0.00 WAT +ATOM 36876 H1 TIP3 10189 -40.423 25.586 9.820 1.00 0.00 WAT +ATOM 36877 H2 TIP3 10189 -41.467 25.668 8.697 1.00 0.00 WAT +ATOM 36878 OH2 TIP3 10190 -37.477 14.646 4.815 1.00 0.00 WAT +ATOM 36879 H1 TIP3 10190 -38.301 14.539 4.305 1.00 0.00 WAT +ATOM 36880 H2 TIP3 10190 -37.745 15.348 5.428 1.00 0.00 WAT +ATOM 36881 OH2 TIP3 10191 -33.109 14.211 8.473 1.00 0.00 WAT +ATOM 36882 H1 TIP3 10191 -32.583 13.678 9.101 1.00 0.00 WAT +ATOM 36883 H2 TIP3 10191 -34.014 13.867 8.596 1.00 0.00 WAT +ATOM 36884 OH2 TIP3 10192 -29.962 18.001 8.965 1.00 0.00 WAT +ATOM 36885 H1 TIP3 10192 -30.544 17.842 9.731 1.00 0.00 WAT +ATOM 36886 H2 TIP3 10192 -30.008 18.965 8.845 1.00 0.00 WAT +ATOM 36887 OH2 TIP3 10193 -29.051 22.782 -4.660 1.00 0.00 WAT +ATOM 36888 H1 TIP3 10193 -29.215 22.703 -5.619 1.00 0.00 WAT +ATOM 36889 H2 TIP3 10193 -28.162 23.170 -4.659 1.00 0.00 WAT +ATOM 36890 OH2 TIP3 10194 -32.891 16.622 -4.031 1.00 0.00 WAT +ATOM 36891 H1 TIP3 10194 -33.659 16.556 -3.435 1.00 0.00 WAT +ATOM 36892 H2 TIP3 10194 -33.267 16.141 -4.789 1.00 0.00 WAT +ATOM 36893 OH2 TIP3 10195 -37.602 19.424 6.228 1.00 0.00 WAT +ATOM 36894 H1 TIP3 10195 -38.202 19.519 6.986 1.00 0.00 WAT +ATOM 36895 H2 TIP3 10195 -37.561 20.337 5.874 1.00 0.00 WAT +ATOM 36896 OH2 TIP3 10196 -37.699 19.486 1.103 1.00 0.00 WAT +ATOM 36897 H1 TIP3 10196 -38.662 19.429 0.950 1.00 0.00 WAT +ATOM 36898 H2 TIP3 10196 -37.369 19.304 0.204 1.00 0.00 WAT +ATOM 36899 OH2 TIP3 10197 -31.723 19.924 -0.629 1.00 0.00 WAT +ATOM 36900 H1 TIP3 10197 -32.300 20.707 -0.500 1.00 0.00 WAT +ATOM 36901 H2 TIP3 10197 -31.045 20.383 -1.163 1.00 0.00 WAT +ATOM 36902 OH2 TIP3 10198 -32.876 20.272 11.261 1.00 0.00 WAT +ATOM 36903 H1 TIP3 10198 -33.378 19.503 11.599 1.00 0.00 WAT +ATOM 36904 H2 TIP3 10198 -31.996 20.121 11.654 1.00 0.00 WAT +ATOM 36905 OH2 TIP3 10199 -31.204 19.361 2.610 1.00 0.00 WAT +ATOM 36906 H1 TIP3 10199 -31.399 20.015 1.920 1.00 0.00 WAT +ATOM 36907 H2 TIP3 10199 -31.008 18.570 2.078 1.00 0.00 WAT +ATOM 36908 OH2 TIP3 10200 -40.236 19.584 8.062 1.00 0.00 WAT +ATOM 36909 H1 TIP3 10200 -39.978 19.945 8.918 1.00 0.00 WAT +ATOM 36910 H2 TIP3 10200 -40.520 18.686 8.304 1.00 0.00 WAT +ATOM 36911 OH2 TIP3 10201 -36.836 17.198 -5.303 1.00 0.00 WAT +ATOM 36912 H1 TIP3 10201 -37.256 16.779 -4.527 1.00 0.00 WAT +ATOM 36913 H2 TIP3 10201 -37.592 17.345 -5.885 1.00 0.00 WAT +ATOM 36914 OH2 TIP3 10202 -43.168 17.217 1.736 1.00 0.00 WAT +ATOM 36915 H1 TIP3 10202 -43.075 16.903 2.653 1.00 0.00 WAT +ATOM 36916 H2 TIP3 10202 -42.837 16.470 1.230 1.00 0.00 WAT +ATOM 36917 OH2 TIP3 10203 -42.081 17.579 -2.469 1.00 0.00 WAT +ATOM 36918 H1 TIP3 10203 -41.484 17.867 -3.186 1.00 0.00 WAT +ATOM 36919 H2 TIP3 10203 -42.914 17.962 -2.762 1.00 0.00 WAT +ATOM 36920 OH2 TIP3 10204 -32.118 21.130 7.113 1.00 0.00 WAT +ATOM 36921 H1 TIP3 10204 -31.670 20.406 6.618 1.00 0.00 WAT +ATOM 36922 H2 TIP3 10204 -32.441 20.655 7.892 1.00 0.00 WAT +ATOM 36923 OH2 TIP3 10205 -34.901 17.115 2.087 1.00 0.00 WAT +ATOM 36924 H1 TIP3 10205 -35.842 17.027 2.322 1.00 0.00 WAT +ATOM 36925 H2 TIP3 10205 -34.477 16.870 2.929 1.00 0.00 WAT +ATOM 36926 OH2 TIP3 10206 -40.381 18.359 0.760 1.00 0.00 WAT +ATOM 36927 H1 TIP3 10206 -41.154 18.493 0.192 1.00 0.00 WAT +ATOM 36928 H2 TIP3 10206 -40.038 17.509 0.425 1.00 0.00 WAT +ATOM 36929 OH2 TIP3 10207 -36.655 18.613 -1.527 1.00 0.00 WAT +ATOM 36930 H1 TIP3 10207 -35.721 18.857 -1.512 1.00 0.00 WAT +ATOM 36931 H2 TIP3 10207 -37.028 19.198 -2.217 1.00 0.00 WAT +ATOM 36932 OH2 TIP3 10208 -30.538 16.215 5.164 1.00 0.00 WAT +ATOM 36933 H1 TIP3 10208 -31.168 16.223 5.918 1.00 0.00 WAT +ATOM 36934 H2 TIP3 10208 -31.117 15.876 4.461 1.00 0.00 WAT +ATOM 36935 OH2 TIP3 10209 -38.213 19.885 -3.700 1.00 0.00 WAT +ATOM 36936 H1 TIP3 10209 -38.854 19.597 -4.371 1.00 0.00 WAT +ATOM 36937 H2 TIP3 10209 -37.434 20.074 -4.252 1.00 0.00 WAT +ATOM 36938 OH2 TIP3 10210 -27.533 32.028 11.816 1.00 0.00 WAT +ATOM 36939 H1 TIP3 10210 -27.290 32.451 10.974 1.00 0.00 WAT +ATOM 36940 H2 TIP3 10210 -26.807 32.319 12.395 1.00 0.00 WAT +ATOM 36941 OH2 TIP3 10211 -39.514 24.618 11.246 1.00 0.00 WAT +ATOM 36942 H1 TIP3 10211 -38.903 24.662 12.011 1.00 0.00 WAT +ATOM 36943 H2 TIP3 10211 -40.371 24.708 11.718 1.00 0.00 WAT +ATOM 36944 OH2 TIP3 10212 -33.857 19.617 3.944 1.00 0.00 WAT +ATOM 36945 H1 TIP3 10212 -33.127 19.139 3.526 1.00 0.00 WAT +ATOM 36946 H2 TIP3 10212 -34.059 19.038 4.709 1.00 0.00 WAT +ATOM 36947 OH2 TIP3 10213 -38.729 15.985 0.234 1.00 0.00 WAT +ATOM 36948 H1 TIP3 10213 -39.234 15.157 0.270 1.00 0.00 WAT +ATOM 36949 H2 TIP3 10213 -37.948 15.713 -0.266 1.00 0.00 WAT +ATOM 36950 OH2 TIP3 10214 -34.890 18.122 6.172 1.00 0.00 WAT +ATOM 36951 H1 TIP3 10214 -35.695 18.663 6.228 1.00 0.00 WAT +ATOM 36952 H2 TIP3 10214 -34.423 18.335 7.006 1.00 0.00 WAT +ATOM 36953 OH2 TIP3 10215 -34.714 24.396 -1.871 1.00 0.00 WAT +ATOM 36954 H1 TIP3 10215 -35.498 23.938 -2.243 1.00 0.00 WAT +ATOM 36955 H2 TIP3 10215 -34.959 24.494 -0.922 1.00 0.00 WAT +ATOM 36956 OH2 TIP3 10216 -27.555 23.642 6.850 1.00 0.00 WAT +ATOM 36957 H1 TIP3 10216 -27.041 24.174 6.204 1.00 0.00 WAT +ATOM 36958 H2 TIP3 10216 -28.403 23.534 6.377 1.00 0.00 WAT +ATOM 36959 OH2 TIP3 10217 -33.126 24.491 9.429 1.00 0.00 WAT +ATOM 36960 H1 TIP3 10217 -33.436 24.158 10.282 1.00 0.00 WAT +ATOM 36961 H2 TIP3 10217 -33.441 25.408 9.432 1.00 0.00 WAT +ATOM 36962 OH2 TIP3 10218 -39.769 23.779 3.812 1.00 0.00 WAT +ATOM 36963 H1 TIP3 10218 -39.090 23.708 3.118 1.00 0.00 WAT +ATOM 36964 H2 TIP3 10218 -39.619 22.969 4.327 1.00 0.00 WAT +ATOM 36965 OH2 TIP3 10219 -32.384 25.832 -2.965 1.00 0.00 WAT +ATOM 36966 H1 TIP3 10219 -32.636 26.700 -2.587 1.00 0.00 WAT +ATOM 36967 H2 TIP3 10219 -33.137 25.283 -2.681 1.00 0.00 WAT +ATOM 36968 OH2 TIP3 10220 -42.381 22.315 9.469 1.00 0.00 WAT +ATOM 36969 H1 TIP3 10220 -42.306 21.665 10.188 1.00 0.00 WAT +ATOM 36970 H2 TIP3 10220 -42.874 21.805 8.784 1.00 0.00 WAT +ATOM 36971 OH2 TIP3 10221 -35.399 21.657 11.179 1.00 0.00 WAT +ATOM 36972 H1 TIP3 10221 -35.766 21.385 10.320 1.00 0.00 WAT +ATOM 36973 H2 TIP3 10221 -34.475 21.359 11.084 1.00 0.00 WAT +ATOM 36974 OH2 TIP3 10222 -30.876 27.075 8.888 1.00 0.00 WAT +ATOM 36975 H1 TIP3 10222 -31.844 27.152 8.836 1.00 0.00 WAT +ATOM 36976 H2 TIP3 10222 -30.705 27.322 9.809 1.00 0.00 WAT +ATOM 36977 OH2 TIP3 10223 -25.317 19.142 -2.305 1.00 0.00 WAT +ATOM 36978 H1 TIP3 10223 -25.885 18.917 -3.064 1.00 0.00 WAT +ATOM 36979 H2 TIP3 10223 -25.220 20.102 -2.455 1.00 0.00 WAT +ATOM 36980 OH2 TIP3 10224 -24.891 25.178 10.483 1.00 0.00 WAT +ATOM 36981 H1 TIP3 10224 -25.823 25.382 10.266 1.00 0.00 WAT +ATOM 36982 H2 TIP3 10224 -24.527 24.994 9.591 1.00 0.00 WAT +ATOM 36983 OH2 TIP3 10225 -27.189 27.713 -2.271 1.00 0.00 WAT +ATOM 36984 H1 TIP3 10225 -27.358 26.962 -1.682 1.00 0.00 WAT +ATOM 36985 H2 TIP3 10225 -26.573 27.349 -2.921 1.00 0.00 WAT +ATOM 36986 OH2 TIP3 10226 -29.884 23.065 5.131 1.00 0.00 WAT +ATOM 36987 H1 TIP3 10226 -30.819 22.895 4.910 1.00 0.00 WAT +ATOM 36988 H2 TIP3 10226 -29.443 22.338 4.650 1.00 0.00 WAT +ATOM 36989 OH2 TIP3 10227 -37.265 27.151 1.197 1.00 0.00 WAT +ATOM 36990 H1 TIP3 10227 -36.861 28.025 1.068 1.00 0.00 WAT +ATOM 36991 H2 TIP3 10227 -38.188 27.328 0.967 1.00 0.00 WAT +ATOM 36992 OH2 TIP3 10228 -41.527 22.111 -4.100 1.00 0.00 WAT +ATOM 36993 H1 TIP3 10228 -40.817 22.668 -3.725 1.00 0.00 WAT +ATOM 36994 H2 TIP3 10228 -42.293 22.684 -3.963 1.00 0.00 WAT +ATOM 36995 OH2 TIP3 10229 -35.437 24.834 0.788 1.00 0.00 WAT +ATOM 36996 H1 TIP3 10229 -35.721 25.748 0.952 1.00 0.00 WAT +ATOM 36997 H2 TIP3 10229 -36.155 24.338 1.213 1.00 0.00 WAT +ATOM 36998 OH2 TIP3 10230 -35.264 29.103 7.167 1.00 0.00 WAT +ATOM 36999 H1 TIP3 10230 -34.710 29.845 6.867 1.00 0.00 WAT +ATOM 37000 H2 TIP3 10230 -34.637 28.610 7.719 1.00 0.00 WAT +ATOM 37001 OH2 TIP3 10231 -36.814 30.045 0.411 1.00 0.00 WAT +ATOM 37002 H1 TIP3 10231 -37.772 30.186 0.481 1.00 0.00 WAT +ATOM 37003 H2 TIP3 10231 -36.470 30.930 0.640 1.00 0.00 WAT +ATOM 37004 OH2 TIP3 10232 -31.856 24.840 6.727 1.00 0.00 WAT +ATOM 37005 H1 TIP3 10232 -32.137 24.570 7.620 1.00 0.00 WAT +ATOM 37006 H2 TIP3 10232 -31.110 24.242 6.563 1.00 0.00 WAT +ATOM 37007 OH2 TIP3 10233 -29.676 26.131 -4.360 1.00 0.00 WAT +ATOM 37008 H1 TIP3 10233 -29.266 25.717 -3.578 1.00 0.00 WAT +ATOM 37009 H2 TIP3 10233 -30.610 26.012 -4.118 1.00 0.00 WAT +ATOM 37010 OH2 TIP3 10234 -28.930 29.434 9.142 1.00 0.00 WAT +ATOM 37011 H1 TIP3 10234 -29.672 28.972 8.705 1.00 0.00 WAT +ATOM 37012 H2 TIP3 10234 -28.805 30.211 8.566 1.00 0.00 WAT +ATOM 37013 OH2 TIP3 10235 -24.955 30.406 -3.821 1.00 0.00 WAT +ATOM 37014 H1 TIP3 10235 -24.254 31.048 -4.027 1.00 0.00 WAT +ATOM 37015 H2 TIP3 10235 -25.719 31.012 -3.808 1.00 0.00 WAT +ATOM 37016 OH2 TIP3 10236 -41.007 16.873 8.845 1.00 0.00 WAT +ATOM 37017 H1 TIP3 10236 -41.876 17.247 8.609 1.00 0.00 WAT +ATOM 37018 H2 TIP3 10236 -41.225 16.015 9.252 1.00 0.00 WAT +ATOM 37019 OH2 TIP3 10237 -28.719 24.774 -1.962 1.00 0.00 WAT +ATOM 37020 H1 TIP3 10237 -28.995 24.032 -1.397 1.00 0.00 WAT +ATOM 37021 H2 TIP3 10237 -27.751 24.748 -1.865 1.00 0.00 WAT +ATOM 37022 OH2 TIP3 10238 -41.276 28.573 7.253 1.00 0.00 WAT +ATOM 37023 H1 TIP3 10238 -41.093 27.629 7.359 1.00 0.00 WAT +ATOM 37024 H2 TIP3 10238 -40.957 28.910 8.097 1.00 0.00 WAT +ATOM 37025 OH2 TIP3 10239 -35.436 27.201 -5.768 1.00 0.00 WAT +ATOM 37026 H1 TIP3 10239 -35.163 26.411 -6.269 1.00 0.00 WAT +ATOM 37027 H2 TIP3 10239 -35.870 26.798 -4.996 1.00 0.00 WAT +ATOM 37028 OH2 TIP3 10240 -36.577 26.702 -3.055 1.00 0.00 WAT +ATOM 37029 H1 TIP3 10240 -36.115 26.200 -2.371 1.00 0.00 WAT +ATOM 37030 H2 TIP3 10240 -36.461 27.625 -2.745 1.00 0.00 WAT +ATOM 37031 OH2 TIP3 10241 -39.847 24.129 -2.705 1.00 0.00 WAT +ATOM 37032 H1 TIP3 10241 -40.559 24.535 -2.151 1.00 0.00 WAT +ATOM 37033 H2 TIP3 10241 -39.378 24.940 -2.961 1.00 0.00 WAT +ATOM 37034 OH2 TIP3 10242 -32.101 16.623 7.354 1.00 0.00 WAT +ATOM 37035 H1 TIP3 10242 -31.480 16.898 8.045 1.00 0.00 WAT +ATOM 37036 H2 TIP3 10242 -32.588 15.889 7.779 1.00 0.00 WAT +ATOM 37037 OH2 TIP3 10243 -33.653 28.340 -2.431 1.00 0.00 WAT +ATOM 37038 H1 TIP3 10243 -34.474 28.828 -2.253 1.00 0.00 WAT +ATOM 37039 H2 TIP3 10243 -33.301 28.821 -3.192 1.00 0.00 WAT +ATOM 37040 OH2 TIP3 10244 -33.767 18.022 -0.426 1.00 0.00 WAT +ATOM 37041 H1 TIP3 10244 -33.216 18.791 -0.200 1.00 0.00 WAT +ATOM 37042 H2 TIP3 10244 -34.258 17.866 0.409 1.00 0.00 WAT +ATOM 37043 OH2 TIP3 10245 -33.677 18.967 8.715 1.00 0.00 WAT +ATOM 37044 H1 TIP3 10245 -33.637 19.492 9.531 1.00 0.00 WAT +ATOM 37045 H2 TIP3 10245 -33.140 18.199 8.951 1.00 0.00 WAT +ATOM 37046 OH2 TIP3 10246 -33.181 15.190 0.423 1.00 0.00 WAT +ATOM 37047 H1 TIP3 10246 -33.551 15.703 1.162 1.00 0.00 WAT +ATOM 37048 H2 TIP3 10246 -32.469 15.774 0.144 1.00 0.00 WAT +ATOM 37049 OH2 TIP3 10247 -36.443 29.405 -2.436 1.00 0.00 WAT +ATOM 37050 H1 TIP3 10247 -36.522 30.213 -2.986 1.00 0.00 WAT +ATOM 37051 H2 TIP3 10247 -36.593 29.756 -1.540 1.00 0.00 WAT +ATOM 37052 OH2 TIP3 10248 -37.774 16.087 -2.914 1.00 0.00 WAT +ATOM 37053 H1 TIP3 10248 -37.640 16.883 -2.372 1.00 0.00 WAT +ATOM 37054 H2 TIP3 10248 -36.971 15.565 -2.732 1.00 0.00 WAT +ATOM 37055 OH2 TIP3 10249 -27.423 16.986 9.618 1.00 0.00 WAT +ATOM 37056 H1 TIP3 10249 -28.375 17.103 9.433 1.00 0.00 WAT +ATOM 37057 H2 TIP3 10249 -27.122 16.782 8.719 1.00 0.00 WAT +ATOM 37058 OH2 TIP3 10250 -28.870 20.798 3.572 1.00 0.00 WAT +ATOM 37059 H1 TIP3 10250 -29.687 20.320 3.354 1.00 0.00 WAT +ATOM 37060 H2 TIP3 10250 -28.367 20.115 4.071 1.00 0.00 WAT +ATOM 37061 OH2 TIP3 10251 -39.297 26.969 -3.883 1.00 0.00 WAT +ATOM 37062 H1 TIP3 10251 -38.543 27.431 -3.487 1.00 0.00 WAT +ATOM 37063 H2 TIP3 10251 -38.837 26.429 -4.541 1.00 0.00 WAT +ATOM 37064 OH2 TIP3 10252 -41.129 19.134 -4.710 1.00 0.00 WAT +ATOM 37065 H1 TIP3 10252 -41.131 20.086 -4.525 1.00 0.00 WAT +ATOM 37066 H2 TIP3 10252 -41.885 18.999 -5.296 1.00 0.00 WAT +ATOM 37067 OH2 TIP3 10253 -27.881 29.678 5.021 1.00 0.00 WAT +ATOM 37068 H1 TIP3 10253 -28.048 30.496 4.512 1.00 0.00 WAT +ATOM 37069 H2 TIP3 10253 -26.952 29.816 5.264 1.00 0.00 WAT +ATOM 37070 OH2 TIP3 10254 -40.269 14.107 3.974 1.00 0.00 WAT +ATOM 37071 H1 TIP3 10254 -40.563 14.058 3.046 1.00 0.00 WAT +ATOM 37072 H2 TIP3 10254 -40.672 13.296 4.350 1.00 0.00 WAT +ATOM 37073 OH2 TIP3 10255 -41.348 27.778 0.272 1.00 0.00 WAT +ATOM 37074 H1 TIP3 10255 -42.267 28.083 0.338 1.00 0.00 WAT +ATOM 37075 H2 TIP3 10255 -41.065 28.172 -0.564 1.00 0.00 WAT +ATOM 37076 OH2 TIP3 10256 -42.137 30.526 11.476 1.00 0.00 WAT +ATOM 37077 H1 TIP3 10256 -41.510 30.519 12.220 1.00 0.00 WAT +ATOM 37078 H2 TIP3 10256 -42.165 29.565 11.325 1.00 0.00 WAT +ATOM 37079 OH2 TIP3 10257 -37.192 29.656 13.233 1.00 0.00 WAT +ATOM 37080 H1 TIP3 10257 -36.556 28.942 13.392 1.00 0.00 WAT +ATOM 37081 H2 TIP3 10257 -37.501 29.426 12.341 1.00 0.00 WAT +ATOM 37082 OH2 TIP3 10258 -33.225 28.904 -5.274 1.00 0.00 WAT +ATOM 37083 H1 TIP3 10258 -33.993 28.299 -5.368 1.00 0.00 WAT +ATOM 37084 H2 TIP3 10258 -32.526 28.346 -5.649 1.00 0.00 WAT +ATOM 37085 OH2 TIP3 10259 -30.853 27.974 11.844 1.00 0.00 WAT +ATOM 37086 H1 TIP3 10259 -31.211 27.124 12.158 1.00 0.00 WAT +ATOM 37087 H2 TIP3 10259 -30.106 28.124 12.448 1.00 0.00 WAT +ATOM 37088 OH2 TIP3 10260 -28.598 28.806 -5.172 1.00 0.00 WAT +ATOM 37089 H1 TIP3 10260 -28.431 28.012 -4.636 1.00 0.00 WAT +ATOM 37090 H2 TIP3 10260 -27.797 28.851 -5.723 1.00 0.00 WAT +ATOM 37091 OH2 TIP3 10261 -41.988 24.560 12.089 1.00 0.00 WAT +ATOM 37092 H1 TIP3 10261 -41.900 23.664 11.731 1.00 0.00 WAT +ATOM 37093 H2 TIP3 10261 -42.868 24.822 11.777 1.00 0.00 WAT +ATOM 37094 OH2 TIP3 10262 -37.808 24.642 -5.428 1.00 0.00 WAT +ATOM 37095 H1 TIP3 10262 -37.627 24.050 -4.679 1.00 0.00 WAT +ATOM 37096 H2 TIP3 10262 -36.959 24.605 -5.905 1.00 0.00 WAT +ATOM 37097 OH2 TIP3 10263 -35.385 24.416 11.888 1.00 0.00 WAT +ATOM 37098 H1 TIP3 10263 -35.692 24.738 11.024 1.00 0.00 WAT +ATOM 37099 H2 TIP3 10263 -35.306 23.450 11.741 1.00 0.00 WAT +ATOM 37100 OH2 TIP3 10264 -32.546 25.974 -5.824 1.00 0.00 WAT +ATOM 37101 H1 TIP3 10264 -32.615 25.927 -4.854 1.00 0.00 WAT +ATOM 37102 H2 TIP3 10264 -32.612 25.020 -6.044 1.00 0.00 WAT +ATOM 37103 OH2 TIP3 10265 -30.013 24.026 9.276 1.00 0.00 WAT +ATOM 37104 H1 TIP3 10265 -29.226 24.560 9.082 1.00 0.00 WAT +ATOM 37105 H2 TIP3 10265 -30.709 24.702 9.256 1.00 0.00 WAT +ATOM 37106 OH2 TIP3 10266 -41.340 21.294 11.865 1.00 0.00 WAT +ATOM 37107 H1 TIP3 10266 -40.559 20.719 11.760 1.00 0.00 WAT +ATOM 37108 H2 TIP3 10266 -41.247 21.557 12.791 1.00 0.00 WAT +ATOM 37109 OH2 TIP3 10267 -36.723 22.720 -3.091 1.00 0.00 WAT +ATOM 37110 H1 TIP3 10267 -37.356 22.225 -2.548 1.00 0.00 WAT +ATOM 37111 H2 TIP3 10267 -36.444 22.036 -3.732 1.00 0.00 WAT +ATOM 37112 OH2 TIP3 10268 -37.498 20.490 9.167 1.00 0.00 WAT +ATOM 37113 H1 TIP3 10268 -38.055 21.272 9.334 1.00 0.00 WAT +ATOM 37114 H2 TIP3 10268 -36.850 20.839 8.529 1.00 0.00 WAT +ATOM 37115 OH2 TIP3 10269 -35.755 20.732 -4.843 1.00 0.00 WAT +ATOM 37116 H1 TIP3 10269 -35.816 20.804 -5.814 1.00 0.00 WAT +ATOM 37117 H2 TIP3 10269 -34.791 20.757 -4.708 1.00 0.00 WAT +ATOM 37118 OH2 TIP3 10270 -32.177 23.199 12.730 1.00 0.00 WAT +ATOM 37119 H1 TIP3 10270 -31.292 22.995 12.391 1.00 0.00 WAT +ATOM 37120 H2 TIP3 10270 -32.447 22.342 13.089 1.00 0.00 WAT +ATOM 37121 OH2 TIP3 10271 -26.283 23.213 -5.537 1.00 0.00 WAT +ATOM 37122 H1 TIP3 10271 -26.475 22.836 -6.406 1.00 0.00 WAT +ATOM 37123 H2 TIP3 10271 -26.369 24.170 -5.732 1.00 0.00 WAT +ATOM 37124 OH2 TIP3 10272 -36.912 17.781 10.300 1.00 0.00 WAT +ATOM 37125 H1 TIP3 10272 -36.840 17.118 9.588 1.00 0.00 WAT +ATOM 37126 H2 TIP3 10272 -37.113 18.587 9.793 1.00 0.00 WAT +ATOM 37127 OH2 TIP3 10273 -36.570 16.261 7.754 1.00 0.00 WAT +ATOM 37128 H1 TIP3 10273 -36.060 16.761 7.091 1.00 0.00 WAT +ATOM 37129 H2 TIP3 10273 -37.480 16.272 7.390 1.00 0.00 WAT +ATOM 37130 OH2 TIP3 10274 -35.007 21.697 8.150 1.00 0.00 WAT +ATOM 37131 H1 TIP3 10274 -34.174 21.612 7.665 1.00 0.00 WAT +ATOM 37132 H2 TIP3 10274 -35.324 22.568 7.837 1.00 0.00 WAT +ATOM 37133 OH2 TIP3 10275 -30.436 19.626 12.943 1.00 0.00 WAT +ATOM 37134 H1 TIP3 10275 -30.213 18.688 13.048 1.00 0.00 WAT +ATOM 37135 H2 TIP3 10275 -29.554 20.021 12.865 1.00 0.00 WAT +ATOM 37136 OH2 TIP3 10276 -29.484 22.420 11.426 1.00 0.00 WAT +ATOM 37137 H1 TIP3 10276 -29.814 23.028 10.731 1.00 0.00 WAT +ATOM 37138 H2 TIP3 10276 -28.584 22.255 11.081 1.00 0.00 WAT +ATOM 37139 OH2 TIP3 10277 -38.761 19.677 12.075 1.00 0.00 WAT +ATOM 37140 H1 TIP3 10277 -39.296 18.864 12.097 1.00 0.00 WAT +ATOM 37141 H2 TIP3 10277 -37.958 19.376 11.624 1.00 0.00 WAT +ATOM 37142 OH2 TIP3 10278 -35.852 13.576 8.099 1.00 0.00 WAT +ATOM 37143 H1 TIP3 10278 -36.038 14.525 7.935 1.00 0.00 WAT +ATOM 37144 H2 TIP3 10278 -36.552 13.150 7.564 1.00 0.00 WAT +ATOM 37145 OH2 TIP3 10279 -34.587 18.154 11.890 1.00 0.00 WAT +ATOM 37146 H1 TIP3 10279 -34.932 17.919 12.769 1.00 0.00 WAT +ATOM 37147 H2 TIP3 10279 -35.377 17.952 11.346 1.00 0.00 WAT +ATOM 37148 OH2 TIP3 10280 -32.044 17.196 10.752 1.00 0.00 WAT +ATOM 37149 H1 TIP3 10280 -32.927 17.233 11.164 1.00 0.00 WAT +ATOM 37150 H2 TIP3 10280 -31.582 16.559 11.332 1.00 0.00 WAT +ATOM 37151 OH2 TIP3 10281 -30.216 15.679 12.479 1.00 0.00 WAT +ATOM 37152 H1 TIP3 10281 -30.355 14.726 12.646 1.00 0.00 WAT +ATOM 37153 H2 TIP3 10281 -30.377 16.085 13.351 1.00 0.00 WAT +ATOM 37154 OH2 TIP3 10282 -40.144 17.115 11.916 1.00 0.00 WAT +ATOM 37155 H1 TIP3 10282 -40.161 16.385 11.276 1.00 0.00 WAT +ATOM 37156 H2 TIP3 10282 -40.321 16.651 12.755 1.00 0.00 WAT +ATOM 37157 OH2 TIP3 10283 -36.007 13.069 10.911 1.00 0.00 WAT +ATOM 37158 H1 TIP3 10283 -35.420 12.298 10.958 1.00 0.00 WAT +ATOM 37159 H2 TIP3 10283 -36.047 13.211 9.944 1.00 0.00 WAT +ATOM 37160 OH2 TIP3 10284 -35.056 14.926 12.767 1.00 0.00 WAT +ATOM 37161 H1 TIP3 10284 -35.358 14.338 12.045 1.00 0.00 WAT +ATOM 37162 H2 TIP3 10284 -35.751 15.602 12.793 1.00 0.00 WAT +ATOM 37163 OH2 TIP3 10285 -35.991 31.968 -3.738 1.00 0.00 WAT +ATOM 37164 H1 TIP3 10285 -35.036 32.087 -3.641 1.00 0.00 WAT +ATOM 37165 H2 TIP3 10285 -36.143 32.413 -4.582 1.00 0.00 WAT +ATOM 37166 OH2 TIP3 10286 -41.981 26.873 -4.674 1.00 0.00 WAT +ATOM 37167 H1 TIP3 10286 -41.228 26.803 -4.057 1.00 0.00 WAT +ATOM 37168 H2 TIP3 10286 -42.189 25.947 -4.866 1.00 0.00 WAT +ATOM 37169 OH2 TIP3 10287 -42.725 29.653 2.462 1.00 0.00 WAT +ATOM 37170 H1 TIP3 10287 -42.769 28.762 2.851 1.00 0.00 WAT +ATOM 37171 H2 TIP3 10287 -42.438 30.162 3.234 1.00 0.00 WAT +ATOM 37172 OH2 TIP3 10288 -25.162 30.858 5.522 1.00 0.00 WAT +ATOM 37173 H1 TIP3 10288 -24.983 30.822 6.473 1.00 0.00 WAT +ATOM 37174 H2 TIP3 10288 -24.300 31.126 5.174 1.00 0.00 WAT +ATOM 37175 OH2 TIP3 10289 -25.278 30.295 8.406 1.00 0.00 WAT +ATOM 37176 H1 TIP3 10289 -25.765 29.535 8.035 1.00 0.00 WAT +ATOM 37177 H2 TIP3 10289 -24.669 29.831 9.001 1.00 0.00 WAT +ATOM 37178 OH2 TIP3 10290 -27.263 25.746 12.670 1.00 0.00 WAT +ATOM 37179 H1 TIP3 10290 -28.132 25.798 13.100 1.00 0.00 WAT +ATOM 37180 H2 TIP3 10290 -26.801 26.534 12.999 1.00 0.00 WAT +ATOM 37181 OH2 TIP3 10291 -25.858 24.615 -1.576 1.00 0.00 WAT +ATOM 37182 H1 TIP3 10291 -24.950 24.947 -1.421 1.00 0.00 WAT +ATOM 37183 H2 TIP3 10291 -25.934 23.990 -0.832 1.00 0.00 WAT +ATOM 37184 OH2 TIP3 10292 -25.397 22.587 0.455 1.00 0.00 WAT +ATOM 37185 H1 TIP3 10292 -26.015 21.932 0.823 1.00 0.00 WAT +ATOM 37186 H2 TIP3 10292 -24.695 22.637 1.130 1.00 0.00 WAT +ATOM 37187 OH2 TIP3 10293 -25.664 25.055 5.369 1.00 0.00 WAT +ATOM 37188 H1 TIP3 10293 -25.013 24.583 4.827 1.00 0.00 WAT +ATOM 37189 H2 TIP3 10293 -25.531 25.975 5.082 1.00 0.00 WAT +ATOM 37190 OH2 TIP3 10294 -26.959 28.006 7.614 1.00 0.00 WAT +ATOM 37191 H1 TIP3 10294 -27.698 28.388 8.117 1.00 0.00 WAT +ATOM 37192 H2 TIP3 10294 -27.412 27.633 6.833 1.00 0.00 WAT +ATOM 37193 OH2 TIP3 10295 -25.141 22.028 -3.023 1.00 0.00 WAT +ATOM 37194 H1 TIP3 10295 -25.652 22.313 -3.803 1.00 0.00 WAT +ATOM 37195 H2 TIP3 10295 -25.253 22.790 -2.433 1.00 0.00 WAT +ATOM 37196 OH2 TIP3 10296 -26.864 19.539 -4.782 1.00 0.00 WAT +ATOM 37197 H1 TIP3 10296 -26.608 20.142 -5.489 1.00 0.00 WAT +ATOM 37198 H2 TIP3 10296 -27.052 18.709 -5.267 1.00 0.00 WAT +ATOM 37199 OH2 TIP3 10297 -27.539 20.553 1.114 1.00 0.00 WAT +ATOM 37200 H1 TIP3 10297 -27.590 19.586 1.096 1.00 0.00 WAT +ATOM 37201 H2 TIP3 10297 -27.808 20.746 2.033 1.00 0.00 WAT +ATOM 37202 OH2 TIP3 10298 -42.559 23.213 5.184 1.00 0.00 WAT +ATOM 37203 H1 TIP3 10298 -42.230 23.437 4.302 1.00 0.00 WAT +ATOM 37204 H2 TIP3 10298 -41.763 22.796 5.580 1.00 0.00 WAT +ATOM 37205 OH2 TIP3 10299 -26.854 22.639 10.381 1.00 0.00 WAT +ATOM 37206 H1 TIP3 10299 -26.116 22.015 10.511 1.00 0.00 WAT +ATOM 37207 H2 TIP3 10299 -26.391 23.459 10.164 1.00 0.00 WAT +ATOM 37208 OH2 TIP3 10300 -25.299 20.706 11.612 1.00 0.00 WAT +ATOM 37209 H1 TIP3 10300 -26.083 20.178 11.353 1.00 0.00 WAT +ATOM 37210 H2 TIP3 10300 -24.582 20.049 11.521 1.00 0.00 WAT +ATOM 37211 OH2 TIP3 10301 -27.354 16.923 -5.600 1.00 0.00 WAT +ATOM 37212 H1 TIP3 10301 -26.735 16.356 -5.108 1.00 0.00 WAT +ATOM 37213 H2 TIP3 10301 -28.160 16.387 -5.670 1.00 0.00 WAT +ATOM 37214 OH2 TIP3 10302 -28.169 18.241 -0.849 1.00 0.00 WAT +ATOM 37215 H1 TIP3 10302 -27.657 17.407 -0.761 1.00 0.00 WAT +ATOM 37216 H2 TIP3 10302 -27.473 18.843 -1.162 1.00 0.00 WAT +ATOM 37217 OH2 TIP3 10303 -27.352 18.834 4.817 1.00 0.00 WAT +ATOM 37218 H1 TIP3 10303 -26.375 18.923 4.782 1.00 0.00 WAT +ATOM 37219 H2 TIP3 10303 -27.484 18.825 5.780 1.00 0.00 WAT +ATOM 37220 OH2 TIP3 10304 -27.199 19.514 7.653 1.00 0.00 WAT +ATOM 37221 H1 TIP3 10304 -28.050 19.914 7.907 1.00 0.00 WAT +ATOM 37222 H2 TIP3 10304 -26.663 20.299 7.431 1.00 0.00 WAT +ATOM 37223 OH2 TIP3 10305 -42.848 18.161 11.248 1.00 0.00 WAT +ATOM 37224 H1 TIP3 10305 -41.959 17.773 11.271 1.00 0.00 WAT +ATOM 37225 H2 TIP3 10305 -43.432 17.416 11.455 1.00 0.00 WAT +ATOM 37226 OH2 TIP3 10306 -24.679 13.660 12.935 1.00 0.00 WAT +ATOM 37227 H1 TIP3 10306 -24.189 12.974 12.434 1.00 0.00 WAT +ATOM 37228 H2 TIP3 10306 -24.607 14.430 12.341 1.00 0.00 WAT +ATOM 37229 OH2 TIP3 10307 -27.173 15.590 -0.623 1.00 0.00 WAT +ATOM 37230 H1 TIP3 10307 -26.932 15.231 0.255 1.00 0.00 WAT +ATOM 37231 H2 TIP3 10307 -27.908 15.008 -0.883 1.00 0.00 WAT +ATOM 37232 OH2 TIP3 10308 -41.949 16.698 4.459 1.00 0.00 WAT +ATOM 37233 H1 TIP3 10308 -41.598 15.797 4.395 1.00 0.00 WAT +ATOM 37234 H2 TIP3 10308 -41.146 17.231 4.592 1.00 0.00 WAT +ATOM 37235 OH2 TIP3 10309 -43.325 19.329 5.270 1.00 0.00 WAT +ATOM 37236 H1 TIP3 10309 -42.953 18.796 4.552 1.00 0.00 WAT +ATOM 37237 H2 TIP3 10309 -43.133 20.225 4.972 1.00 0.00 WAT +ATOM 37238 OH2 TIP3 10310 -25.267 15.737 11.188 1.00 0.00 WAT +ATOM 37239 H1 TIP3 10310 -26.150 16.149 11.199 1.00 0.00 WAT +ATOM 37240 H2 TIP3 10310 -25.352 15.172 10.400 1.00 0.00 WAT +ATOM 37241 OH2 TIP3 10311 -25.039 15.808 -4.160 1.00 0.00 WAT +ATOM 37242 H1 TIP3 10311 -24.592 15.021 -4.484 1.00 0.00 WAT +ATOM 37243 H2 TIP3 10311 -24.284 16.331 -3.824 1.00 0.00 WAT +ATOM 37244 OH2 TIP3 10312 -43.159 15.456 -1.202 1.00 0.00 WAT +ATOM 37245 H1 TIP3 10312 -43.997 15.731 -1.603 1.00 0.00 WAT +ATOM 37246 H2 TIP3 10312 -42.560 16.148 -1.568 1.00 0.00 WAT +ATOM 37247 OH2 TIP3 10313 -28.277 30.898 1.320 1.00 0.00 WAT +ATOM 37248 H1 TIP3 10313 -27.803 30.647 0.509 1.00 0.00 WAT +ATOM 37249 H2 TIP3 10313 -27.566 31.264 1.860 1.00 0.00 WAT +ATOM 37250 OH2 TIP3 10314 -42.913 14.427 7.153 1.00 0.00 WAT +ATOM 37251 H1 TIP3 10314 -43.602 14.331 7.853 1.00 0.00 WAT +ATOM 37252 H2 TIP3 10314 -43.366 14.882 6.427 1.00 0.00 WAT +ATOM 37253 OH2 TIP3 10315 -41.171 27.946 11.824 1.00 0.00 WAT +ATOM 37254 H1 TIP3 10315 -41.681 27.321 11.299 1.00 0.00 WAT +ATOM 37255 H2 TIP3 10315 -41.336 27.601 12.733 1.00 0.00 WAT +ATOM 37256 OH2 TIP3 10316 -38.017 28.608 7.751 1.00 0.00 WAT +ATOM 37257 H1 TIP3 10316 -38.340 29.435 7.352 1.00 0.00 WAT +ATOM 37258 H2 TIP3 10316 -37.062 28.695 7.552 1.00 0.00 WAT +ATOM 37259 OH2 TIP3 10317 -33.529 29.901 10.737 1.00 0.00 WAT +ATOM 37260 H1 TIP3 10317 -33.349 29.722 11.670 1.00 0.00 WAT +ATOM 37261 H2 TIP3 10317 -32.698 30.340 10.459 1.00 0.00 WAT +ATOM 37262 OH2 TIP3 10318 -31.237 31.336 10.004 1.00 0.00 WAT +ATOM 37263 H1 TIP3 10318 -30.533 30.720 9.745 1.00 0.00 WAT +ATOM 37264 H2 TIP3 10318 -30.912 31.657 10.865 1.00 0.00 WAT +ATOM 37265 OH2 TIP3 10319 -26.382 13.929 9.153 1.00 0.00 WAT +ATOM 37266 H1 TIP3 10319 -27.179 14.147 8.640 1.00 0.00 WAT +ATOM 37267 H2 TIP3 10319 -26.178 13.030 8.817 1.00 0.00 WAT +ATOM 37268 OH2 TIP3 10320 -40.691 31.653 7.977 1.00 0.00 WAT +ATOM 37269 H1 TIP3 10320 -41.372 32.145 7.479 1.00 0.00 WAT +ATOM 37270 H2 TIP3 10320 -41.029 31.729 8.876 1.00 0.00 WAT +ATOM 37271 OH2 TIP3 10321 -38.175 31.321 6.619 1.00 0.00 WAT +ATOM 37272 H1 TIP3 10321 -39.047 31.507 7.023 1.00 0.00 WAT +ATOM 37273 H2 TIP3 10321 -38.143 31.984 5.905 1.00 0.00 WAT +ATOM 37274 OH2 TIP3 10322 -33.415 31.313 6.161 1.00 0.00 WAT +ATOM 37275 H1 TIP3 10322 -33.793 31.751 5.376 1.00 0.00 WAT +ATOM 37276 H2 TIP3 10322 -33.326 32.066 6.774 1.00 0.00 WAT +ATOM 37277 OH2 TIP3 10323 -31.090 30.031 7.098 1.00 0.00 WAT +ATOM 37278 H1 TIP3 10323 -31.927 30.390 6.747 1.00 0.00 WAT +ATOM 37279 H2 TIP3 10323 -30.511 30.805 7.046 1.00 0.00 WAT +ATOM 37280 OH2 TIP3 10324 -28.560 31.754 7.263 1.00 0.00 WAT +ATOM 37281 H1 TIP3 10324 -28.595 32.706 7.045 1.00 0.00 WAT +ATOM 37282 H2 TIP3 10324 -28.264 31.390 6.412 1.00 0.00 WAT +ATOM 37283 OH2 TIP3 10325 -41.247 30.410 4.959 1.00 0.00 WAT +ATOM 37284 H1 TIP3 10325 -41.337 29.939 5.812 1.00 0.00 WAT +ATOM 37285 H2 TIP3 10325 -40.501 29.929 4.558 1.00 0.00 WAT +ATOM 37286 OH2 TIP3 10326 -39.101 29.135 3.461 1.00 0.00 WAT +ATOM 37287 H1 TIP3 10326 -39.265 28.209 3.732 1.00 0.00 WAT +ATOM 37288 H2 TIP3 10326 -38.194 29.284 3.786 1.00 0.00 WAT +ATOM 37289 OH2 TIP3 10327 -36.288 29.562 4.316 1.00 0.00 WAT +ATOM 37290 H1 TIP3 10327 -36.122 28.630 4.090 1.00 0.00 WAT +ATOM 37291 H2 TIP3 10327 -36.241 29.523 5.283 1.00 0.00 WAT +ATOM 37292 OH2 TIP3 10328 -32.969 15.443 3.511 1.00 0.00 WAT +ATOM 37293 H1 TIP3 10328 -33.639 14.770 3.743 1.00 0.00 WAT +ATOM 37294 H2 TIP3 10328 -32.318 14.912 3.021 1.00 0.00 WAT +ATOM 37295 OH2 TIP3 10329 -28.008 13.498 4.104 1.00 0.00 WAT +ATOM 37296 H1 TIP3 10329 -27.242 13.906 3.663 1.00 0.00 WAT +ATOM 37297 H2 TIP3 10329 -28.743 13.744 3.522 1.00 0.00 WAT +ATOM 37298 OH2 TIP3 10330 -26.021 14.627 1.921 1.00 0.00 WAT +ATOM 37299 H1 TIP3 10330 -25.296 14.091 1.534 1.00 0.00 WAT +ATOM 37300 H2 TIP3 10330 -25.578 15.498 2.009 1.00 0.00 WAT +ATOM 37301 OH2 TIP3 10331 -41.015 13.999 1.126 1.00 0.00 WAT +ATOM 37302 H1 TIP3 10331 -41.781 13.723 0.608 1.00 0.00 WAT +ATOM 37303 H2 TIP3 10331 -40.464 13.193 1.057 1.00 0.00 WAT +ATOM 37304 OH2 TIP3 10332 -41.848 13.662 -3.046 1.00 0.00 WAT +ATOM 37305 H1 TIP3 10332 -41.320 14.319 -3.538 1.00 0.00 WAT +ATOM 37306 H2 TIP3 10332 -42.338 14.229 -2.425 1.00 0.00 WAT +ATOM 37307 OH2 TIP3 10333 -36.102 14.109 1.022 1.00 0.00 WAT +ATOM 37308 H1 TIP3 10333 -35.141 14.160 0.934 1.00 0.00 WAT +ATOM 37309 H2 TIP3 10333 -36.202 13.920 1.962 1.00 0.00 WAT +ATOM 37310 OH2 TIP3 10334 -30.595 14.034 2.439 1.00 0.00 WAT +ATOM 37311 H1 TIP3 10334 -30.280 13.810 1.552 1.00 0.00 WAT +ATOM 37312 H2 TIP3 10334 -30.940 13.169 2.739 1.00 0.00 WAT +ATOM 37313 OH2 TIP3 10335 -29.612 14.139 -1.553 1.00 0.00 WAT +ATOM 37314 H1 TIP3 10335 -30.421 14.273 -2.056 1.00 0.00 WAT +ATOM 37315 H2 TIP3 10335 -29.711 13.199 -1.317 1.00 0.00 WAT +ATOM 37316 OH2 TIP3 10336 -41.864 29.650 -1.997 1.00 0.00 WAT +ATOM 37317 H1 TIP3 10336 -42.514 29.463 -2.683 1.00 0.00 WAT +ATOM 37318 H2 TIP3 10336 -41.838 30.616 -2.008 1.00 0.00 WAT +ATOM 37319 OH2 TIP3 10337 -40.063 15.526 -4.491 1.00 0.00 WAT +ATOM 37320 H1 TIP3 10337 -39.509 14.920 -5.011 1.00 0.00 WAT +ATOM 37321 H2 TIP3 10337 -39.435 15.798 -3.792 1.00 0.00 WAT +ATOM 37322 OH2 TIP3 10338 -34.794 15.718 -2.006 1.00 0.00 WAT +ATOM 37323 H1 TIP3 10338 -34.705 15.041 -1.318 1.00 0.00 WAT +ATOM 37324 H2 TIP3 10338 -34.931 16.515 -1.479 1.00 0.00 WAT +ATOM 37325 OH2 TIP3 10339 -32.951 31.435 -3.657 1.00 0.00 WAT +ATOM 37326 H1 TIP3 10339 -31.977 31.446 -3.701 1.00 0.00 WAT +ATOM 37327 H2 TIP3 10339 -33.149 30.779 -4.345 1.00 0.00 WAT +ATOM 37328 OH2 TIP3 10340 -26.457 30.465 -1.075 1.00 0.00 WAT +ATOM 37329 H1 TIP3 10340 -26.683 29.625 -1.520 1.00 0.00 WAT +ATOM 37330 H2 TIP3 10340 -26.480 31.086 -1.821 1.00 0.00 WAT +ATOM 37331 OH2 TIP3 10341 -40.797 14.435 10.703 1.00 0.00 WAT +ATOM 37332 H1 TIP3 10341 -41.247 13.664 11.085 1.00 0.00 WAT +ATOM 37333 H2 TIP3 10341 -39.878 14.267 10.973 1.00 0.00 WAT +ATOM 37334 OH2 TIP3 10342 -38.425 13.792 12.457 1.00 0.00 WAT +ATOM 37335 H1 TIP3 10342 -37.609 13.439 12.047 1.00 0.00 WAT +ATOM 37336 H2 TIP3 10342 -38.778 12.993 12.884 1.00 0.00 WAT +ATOM 37337 OH2 TIP3 10343 -40.112 30.655 -5.005 1.00 0.00 WAT +ATOM 37338 H1 TIP3 10343 -40.421 30.825 -4.103 1.00 0.00 WAT +ATOM 37339 H2 TIP3 10343 -39.418 29.990 -4.861 1.00 0.00 WAT +ATOM 37340 OH2 TIP3 10344 -30.302 12.861 12.606 1.00 0.00 WAT +ATOM 37341 H1 TIP3 10344 -30.263 12.468 13.500 1.00 0.00 WAT +ATOM 37342 H2 TIP3 10344 -29.360 12.857 12.354 1.00 0.00 WAT +ATOM 37343 OH2 TIP3 10345 -26.966 29.223 11.332 1.00 0.00 WAT +ATOM 37344 H1 TIP3 10345 -27.672 29.032 10.689 1.00 0.00 WAT +ATOM 37345 H2 TIP3 10345 -27.111 30.175 11.486 1.00 0.00 WAT +ATOM 37346 OH2 TIP3 10346 -21.119 21.993 6.051 1.00 0.00 WAT +ATOM 37347 H1 TIP3 10346 -21.178 21.167 6.569 1.00 0.00 WAT +ATOM 37348 H2 TIP3 10346 -20.604 22.540 6.664 1.00 0.00 WAT +ATOM 37349 OH2 TIP3 10347 -20.482 26.546 4.784 1.00 0.00 WAT +ATOM 37350 H1 TIP3 10347 -20.756 25.650 4.499 1.00 0.00 WAT +ATOM 37351 H2 TIP3 10347 -19.607 26.348 5.134 1.00 0.00 WAT +ATOM 37352 OH2 TIP3 10348 -23.753 19.893 0.153 1.00 0.00 WAT +ATOM 37353 H1 TIP3 10348 -24.092 20.799 0.155 1.00 0.00 WAT +ATOM 37354 H2 TIP3 10348 -24.441 19.418 -0.331 1.00 0.00 WAT +ATOM 37355 OH2 TIP3 10349 -22.852 22.254 2.066 1.00 0.00 WAT +ATOM 37356 H1 TIP3 10349 -22.641 21.423 2.524 1.00 0.00 WAT +ATOM 37357 H2 TIP3 10349 -22.082 22.337 1.477 1.00 0.00 WAT +ATOM 37358 OH2 TIP3 10350 -18.951 17.369 2.640 1.00 0.00 WAT +ATOM 37359 H1 TIP3 10350 -19.312 18.191 2.298 1.00 0.00 WAT +ATOM 37360 H2 TIP3 10350 -19.408 16.714 2.090 1.00 0.00 WAT +ATOM 37361 OH2 TIP3 10351 -22.170 19.640 3.407 1.00 0.00 WAT +ATOM 37362 H1 TIP3 10351 -21.423 19.195 3.826 1.00 0.00 WAT +ATOM 37363 H2 TIP3 10351 -22.065 19.342 2.487 1.00 0.00 WAT +ATOM 37364 OH2 TIP3 10352 -23.142 25.459 -1.439 1.00 0.00 WAT +ATOM 37365 H1 TIP3 10352 -23.265 25.972 -2.253 1.00 0.00 WAT +ATOM 37366 H2 TIP3 10352 -22.928 26.144 -0.769 1.00 0.00 WAT +ATOM 37367 OH2 TIP3 10353 -11.310 28.803 1.598 1.00 0.00 WAT +ATOM 37368 H1 TIP3 10353 -10.707 28.044 1.598 1.00 0.00 WAT +ATOM 37369 H2 TIP3 10353 -10.683 29.551 1.636 1.00 0.00 WAT +ATOM 37370 OH2 TIP3 10354 -8.302 25.339 8.846 1.00 0.00 WAT +ATOM 37371 H1 TIP3 10354 -8.396 24.771 8.079 1.00 0.00 WAT +ATOM 37372 H2 TIP3 10354 -8.333 26.231 8.442 1.00 0.00 WAT +ATOM 37373 OH2 TIP3 10355 -13.736 21.006 -4.252 1.00 0.00 WAT +ATOM 37374 H1 TIP3 10355 -12.836 21.300 -4.052 1.00 0.00 WAT +ATOM 37375 H2 TIP3 10355 -13.575 20.271 -4.865 1.00 0.00 WAT +ATOM 37376 OH2 TIP3 10356 -20.588 22.650 8.902 1.00 0.00 WAT +ATOM 37377 H1 TIP3 10356 -20.432 23.220 9.677 1.00 0.00 WAT +ATOM 37378 H2 TIP3 10356 -21.549 22.525 8.942 1.00 0.00 WAT +ATOM 37379 OH2 TIP3 10357 -14.281 28.333 0.733 1.00 0.00 WAT +ATOM 37380 H1 TIP3 10357 -13.531 28.594 1.277 1.00 0.00 WAT +ATOM 37381 H2 TIP3 10357 -14.659 29.164 0.418 1.00 0.00 WAT +ATOM 37382 OH2 TIP3 10358 -19.411 28.522 10.412 1.00 0.00 WAT +ATOM 37383 H1 TIP3 10358 -19.316 28.126 9.536 1.00 0.00 WAT +ATOM 37384 H2 TIP3 10358 -20.162 28.036 10.782 1.00 0.00 WAT +ATOM 37385 OH2 TIP3 10359 -20.417 22.024 -0.595 1.00 0.00 WAT +ATOM 37386 H1 TIP3 10359 -20.290 22.648 -1.317 1.00 0.00 WAT +ATOM 37387 H2 TIP3 10359 -20.657 21.205 -1.038 1.00 0.00 WAT +ATOM 37388 OH2 TIP3 10360 -7.015 27.824 -4.722 1.00 0.00 WAT +ATOM 37389 H1 TIP3 10360 -6.755 28.700 -4.384 1.00 0.00 WAT +ATOM 37390 H2 TIP3 10360 -6.312 27.277 -4.324 1.00 0.00 WAT +ATOM 37391 OH2 TIP3 10361 -24.027 24.652 7.850 1.00 0.00 WAT +ATOM 37392 H1 TIP3 10361 -24.426 24.623 6.961 1.00 0.00 WAT +ATOM 37393 H2 TIP3 10361 -23.829 23.714 8.024 1.00 0.00 WAT +ATOM 37394 OH2 TIP3 10362 -23.966 27.549 4.755 1.00 0.00 WAT +ATOM 37395 H1 TIP3 10362 -23.052 27.240 4.833 1.00 0.00 WAT +ATOM 37396 H2 TIP3 10362 -24.020 28.147 5.513 1.00 0.00 WAT +ATOM 37397 OH2 TIP3 10363 -5.580 28.140 10.526 1.00 0.00 WAT +ATOM 37398 H1 TIP3 10363 -5.706 27.191 10.372 1.00 0.00 WAT +ATOM 37399 H2 TIP3 10363 -6.481 28.404 10.820 1.00 0.00 WAT +ATOM 37400 OH2 TIP3 10364 -14.776 31.289 -0.566 1.00 0.00 WAT +ATOM 37401 H1 TIP3 10364 -14.703 31.077 -1.514 1.00 0.00 WAT +ATOM 37402 H2 TIP3 10364 -14.505 32.216 -0.506 1.00 0.00 WAT +ATOM 37403 OH2 TIP3 10365 -20.854 30.349 0.927 1.00 0.00 WAT +ATOM 37404 H1 TIP3 10365 -20.657 29.861 1.751 1.00 0.00 WAT +ATOM 37405 H2 TIP3 10365 -21.662 29.908 0.633 1.00 0.00 WAT +ATOM 37406 OH2 TIP3 10366 -11.320 30.595 -3.563 1.00 0.00 WAT +ATOM 37407 H1 TIP3 10366 -10.834 29.862 -3.981 1.00 0.00 WAT +ATOM 37408 H2 TIP3 10366 -11.413 30.264 -2.646 1.00 0.00 WAT +ATOM 37409 OH2 TIP3 10367 -11.937 30.109 -0.789 1.00 0.00 WAT +ATOM 37410 H1 TIP3 10367 -12.907 30.111 -0.756 1.00 0.00 WAT +ATOM 37411 H2 TIP3 10367 -11.745 29.421 -0.121 1.00 0.00 WAT +ATOM 37412 OH2 TIP3 10368 -8.398 19.754 10.959 1.00 0.00 WAT +ATOM 37413 H1 TIP3 10368 -9.139 20.051 10.417 1.00 0.00 WAT +ATOM 37414 H2 TIP3 10368 -8.466 18.788 10.863 1.00 0.00 WAT +ATOM 37415 OH2 TIP3 10369 -21.506 26.258 8.880 1.00 0.00 WAT +ATOM 37416 H1 TIP3 10369 -21.102 25.745 9.604 1.00 0.00 WAT +ATOM 37417 H2 TIP3 10369 -22.182 25.648 8.555 1.00 0.00 WAT +ATOM 37418 OH2 TIP3 10370 -14.263 16.810 -4.360 1.00 0.00 WAT +ATOM 37419 H1 TIP3 10370 -14.791 16.755 -3.558 1.00 0.00 WAT +ATOM 37420 H2 TIP3 10370 -14.492 15.991 -4.820 1.00 0.00 WAT +ATOM 37421 OH2 TIP3 10371 -21.424 19.647 7.990 1.00 0.00 WAT +ATOM 37422 H1 TIP3 10371 -21.020 19.871 8.833 1.00 0.00 WAT +ATOM 37423 H2 TIP3 10371 -21.473 18.677 8.059 1.00 0.00 WAT +ATOM 37424 OH2 TIP3 10372 -17.888 17.136 -5.398 1.00 0.00 WAT +ATOM 37425 H1 TIP3 10372 -18.210 16.742 -4.560 1.00 0.00 WAT +ATOM 37426 H2 TIP3 10372 -18.713 17.373 -5.826 1.00 0.00 WAT +ATOM 37427 OH2 TIP3 10373 -24.490 16.959 1.767 1.00 0.00 WAT +ATOM 37428 H1 TIP3 10373 -23.799 16.958 2.449 1.00 0.00 WAT +ATOM 37429 H2 TIP3 10373 -24.036 16.604 0.978 1.00 0.00 WAT +ATOM 37430 OH2 TIP3 10374 -23.054 17.400 -2.780 1.00 0.00 WAT +ATOM 37431 H1 TIP3 10374 -22.392 17.962 -3.218 1.00 0.00 WAT +ATOM 37432 H2 TIP3 10374 -23.655 18.059 -2.387 1.00 0.00 WAT +ATOM 37433 OH2 TIP3 10375 -21.172 18.527 0.796 1.00 0.00 WAT +ATOM 37434 H1 TIP3 10375 -22.015 18.796 0.392 1.00 0.00 WAT +ATOM 37435 H2 TIP3 10375 -20.966 17.680 0.357 1.00 0.00 WAT +ATOM 37436 OH2 TIP3 10376 -19.527 19.489 -3.622 1.00 0.00 WAT +ATOM 37437 H1 TIP3 10376 -19.868 19.503 -4.526 1.00 0.00 WAT +ATOM 37438 H2 TIP3 10376 -18.613 19.778 -3.746 1.00 0.00 WAT +ATOM 37439 OH2 TIP3 10377 -8.656 31.999 11.819 1.00 0.00 WAT +ATOM 37440 H1 TIP3 10377 -8.430 32.450 10.988 1.00 0.00 WAT +ATOM 37441 H2 TIP3 10377 -7.952 32.309 12.413 1.00 0.00 WAT +ATOM 37442 OH2 TIP3 10378 -20.744 24.552 11.242 1.00 0.00 WAT +ATOM 37443 H1 TIP3 10378 -20.067 24.699 11.928 1.00 0.00 WAT +ATOM 37444 H2 TIP3 10378 -21.548 24.690 11.773 1.00 0.00 WAT +ATOM 37445 OH2 TIP3 10379 -19.891 15.973 0.220 1.00 0.00 WAT +ATOM 37446 H1 TIP3 10379 -20.351 15.147 0.465 1.00 0.00 WAT +ATOM 37447 H2 TIP3 10379 -19.153 15.631 -0.298 1.00 0.00 WAT +ATOM 37448 OH2 TIP3 10380 -20.549 23.877 3.899 1.00 0.00 WAT +ATOM 37449 H1 TIP3 10380 -20.075 23.596 3.100 1.00 0.00 WAT +ATOM 37450 H2 TIP3 10380 -20.712 23.019 4.322 1.00 0.00 WAT +ATOM 37451 OH2 TIP3 10381 -23.576 22.159 9.232 1.00 0.00 WAT +ATOM 37452 H1 TIP3 10381 -23.327 21.675 10.044 1.00 0.00 WAT +ATOM 37453 H2 TIP3 10381 -24.100 21.507 8.742 1.00 0.00 WAT +ATOM 37454 OH2 TIP3 10382 -6.132 25.069 10.425 1.00 0.00 WAT +ATOM 37455 H1 TIP3 10382 -7.065 25.299 10.211 1.00 0.00 WAT +ATOM 37456 H2 TIP3 10382 -5.752 25.084 9.530 1.00 0.00 WAT +ATOM 37457 OH2 TIP3 10383 -18.365 26.979 1.303 1.00 0.00 WAT +ATOM 37458 H1 TIP3 10383 -17.768 27.721 1.144 1.00 0.00 WAT +ATOM 37459 H2 TIP3 10383 -19.217 27.318 1.031 1.00 0.00 WAT +ATOM 37460 OH2 TIP3 10384 -22.415 21.967 -4.221 1.00 0.00 WAT +ATOM 37461 H1 TIP3 10384 -21.811 22.596 -3.779 1.00 0.00 WAT +ATOM 37462 H2 TIP3 10384 -23.271 22.219 -3.829 1.00 0.00 WAT +ATOM 37463 OH2 TIP3 10385 -17.952 29.967 0.371 1.00 0.00 WAT +ATOM 37464 H1 TIP3 10385 -18.902 30.135 0.455 1.00 0.00 WAT +ATOM 37465 H2 TIP3 10385 -17.576 30.840 0.572 1.00 0.00 WAT +ATOM 37466 OH2 TIP3 10386 -10.087 29.268 9.020 1.00 0.00 WAT +ATOM 37467 H1 TIP3 10386 -10.921 28.951 8.630 1.00 0.00 WAT +ATOM 37468 H2 TIP3 10386 -9.984 30.125 8.569 1.00 0.00 WAT +ATOM 37469 OH2 TIP3 10387 -6.140 30.446 -3.752 1.00 0.00 WAT +ATOM 37470 H1 TIP3 10387 -5.389 31.020 -3.987 1.00 0.00 WAT +ATOM 37471 H2 TIP3 10387 -6.861 31.098 -3.823 1.00 0.00 WAT +ATOM 37472 OH2 TIP3 10388 -22.072 16.817 8.740 1.00 0.00 WAT +ATOM 37473 H1 TIP3 10388 -22.964 16.990 8.407 1.00 0.00 WAT +ATOM 37474 H2 TIP3 10388 -22.130 15.893 9.031 1.00 0.00 WAT +ATOM 37475 OH2 TIP3 10389 -22.442 28.498 7.258 1.00 0.00 WAT +ATOM 37476 H1 TIP3 10389 -22.069 27.619 7.453 1.00 0.00 WAT +ATOM 37477 H2 TIP3 10389 -22.166 28.970 8.053 1.00 0.00 WAT +ATOM 37478 OH2 TIP3 10390 -16.596 27.130 -5.523 1.00 0.00 WAT +ATOM 37479 H1 TIP3 10390 -16.376 26.383 -6.108 1.00 0.00 WAT +ATOM 37480 H2 TIP3 10390 -16.941 26.668 -4.752 1.00 0.00 WAT +ATOM 37481 OH2 TIP3 10391 -20.920 24.170 -2.721 1.00 0.00 WAT +ATOM 37482 H1 TIP3 10391 -21.594 24.466 -2.083 1.00 0.00 WAT +ATOM 37483 H2 TIP3 10391 -20.471 25.007 -2.929 1.00 0.00 WAT +ATOM 37484 OH2 TIP3 10392 -14.562 29.160 -2.459 1.00 0.00 WAT +ATOM 37485 H1 TIP3 10392 -15.453 28.809 -2.332 1.00 0.00 WAT +ATOM 37486 H2 TIP3 10392 -14.344 28.886 -3.362 1.00 0.00 WAT +ATOM 37487 OH2 TIP3 10393 -17.697 29.120 -2.594 1.00 0.00 WAT +ATOM 37488 H1 TIP3 10393 -17.652 29.974 -3.064 1.00 0.00 WAT +ATOM 37489 H2 TIP3 10393 -17.731 29.405 -1.665 1.00 0.00 WAT +ATOM 37490 OH2 TIP3 10394 -18.692 16.195 -2.874 1.00 0.00 WAT +ATOM 37491 H1 TIP3 10394 -18.746 17.057 -2.444 1.00 0.00 WAT +ATOM 37492 H2 TIP3 10394 -17.855 15.819 -2.529 1.00 0.00 WAT +ATOM 37493 OH2 TIP3 10395 -8.352 17.164 9.622 1.00 0.00 WAT +ATOM 37494 H1 TIP3 10395 -9.099 16.706 10.052 1.00 0.00 WAT +ATOM 37495 H2 TIP3 10395 -8.175 16.583 8.872 1.00 0.00 WAT +ATOM 37496 OH2 TIP3 10396 -20.184 26.925 -3.718 1.00 0.00 WAT +ATOM 37497 H1 TIP3 10396 -19.541 27.617 -3.486 1.00 0.00 WAT +ATOM 37498 H2 TIP3 10396 -19.737 26.469 -4.450 1.00 0.00 WAT +ATOM 37499 OH2 TIP3 10397 -22.317 19.189 -5.025 1.00 0.00 WAT +ATOM 37500 H1 TIP3 10397 -22.193 20.064 -4.616 1.00 0.00 WAT +ATOM 37501 H2 TIP3 10397 -23.274 19.103 -5.062 1.00 0.00 WAT +ATOM 37502 OH2 TIP3 10398 -9.214 29.566 5.061 1.00 0.00 WAT +ATOM 37503 H1 TIP3 10398 -9.309 30.374 4.527 1.00 0.00 WAT +ATOM 37504 H2 TIP3 10398 -8.269 29.590 5.252 1.00 0.00 WAT +ATOM 37505 OH2 TIP3 10399 -21.229 14.352 4.080 1.00 0.00 WAT +ATOM 37506 H1 TIP3 10399 -21.191 14.201 3.118 1.00 0.00 WAT +ATOM 37507 H2 TIP3 10399 -21.336 13.457 4.431 1.00 0.00 WAT +ATOM 37508 OH2 TIP3 10400 -22.548 27.649 0.278 1.00 0.00 WAT +ATOM 37509 H1 TIP3 10400 -23.300 28.211 0.507 1.00 0.00 WAT +ATOM 37510 H2 TIP3 10400 -22.106 28.174 -0.405 1.00 0.00 WAT +ATOM 37511 OH2 TIP3 10401 -23.135 30.585 11.452 1.00 0.00 WAT +ATOM 37512 H1 TIP3 10401 -22.520 30.306 12.159 1.00 0.00 WAT +ATOM 37513 H2 TIP3 10401 -23.491 29.727 11.146 1.00 0.00 WAT +ATOM 37514 OH2 TIP3 10402 -18.549 29.563 13.124 1.00 0.00 WAT +ATOM 37515 H1 TIP3 10402 -17.789 29.035 13.409 1.00 0.00 WAT +ATOM 37516 H2 TIP3 10402 -18.597 29.328 12.181 1.00 0.00 WAT +ATOM 37517 OH2 TIP3 10403 -14.404 28.861 -5.289 1.00 0.00 WAT +ATOM 37518 H1 TIP3 10403 -15.166 28.249 -5.374 1.00 0.00 WAT +ATOM 37519 H2 TIP3 10403 -13.693 28.318 -5.662 1.00 0.00 WAT +ATOM 37520 OH2 TIP3 10404 -12.080 27.909 11.754 1.00 0.00 WAT +ATOM 37521 H1 TIP3 10404 -12.275 26.982 11.933 1.00 0.00 WAT +ATOM 37522 H2 TIP3 10404 -11.291 28.078 12.297 1.00 0.00 WAT +ATOM 37523 OH2 TIP3 10405 -9.835 28.531 -5.128 1.00 0.00 WAT +ATOM 37524 H1 TIP3 10405 -9.385 27.880 -4.568 1.00 0.00 WAT +ATOM 37525 H2 TIP3 10405 -9.085 28.806 -5.684 1.00 0.00 WAT +ATOM 37526 OH2 TIP3 10406 -23.212 24.198 12.602 1.00 0.00 WAT +ATOM 37527 H1 TIP3 10406 -23.022 23.337 12.195 1.00 0.00 WAT +ATOM 37528 H2 TIP3 10406 -23.912 24.530 12.008 1.00 0.00 WAT +ATOM 37529 OH2 TIP3 10407 -18.895 24.717 -5.332 1.00 0.00 WAT +ATOM 37530 H1 TIP3 10407 -18.830 23.976 -4.692 1.00 0.00 WAT +ATOM 37531 H2 TIP3 10407 -18.087 24.574 -5.856 1.00 0.00 WAT +ATOM 37532 OH2 TIP3 10408 -13.689 25.962 -5.548 1.00 0.00 WAT +ATOM 37533 H1 TIP3 10408 -13.660 25.890 -4.588 1.00 0.00 WAT +ATOM 37534 H2 TIP3 10408 -13.707 25.019 -5.817 1.00 0.00 WAT +ATOM 37535 OH2 TIP3 10409 -22.274 21.307 11.689 1.00 0.00 WAT +ATOM 37536 H1 TIP3 10409 -21.599 20.612 11.696 1.00 0.00 WAT +ATOM 37537 H2 TIP3 10409 -22.304 21.545 12.629 1.00 0.00 WAT +ATOM 37538 OH2 TIP3 10410 -18.077 22.515 -3.508 1.00 0.00 WAT +ATOM 37539 H1 TIP3 10410 -18.260 22.179 -2.623 1.00 0.00 WAT +ATOM 37540 H2 TIP3 10410 -17.590 21.759 -3.886 1.00 0.00 WAT +ATOM 37541 OH2 TIP3 10411 -18.240 20.540 9.215 1.00 0.00 WAT +ATOM 37542 H1 TIP3 10411 -18.935 21.152 9.487 1.00 0.00 WAT +ATOM 37543 H2 TIP3 10411 -18.191 20.703 8.269 1.00 0.00 WAT +ATOM 37544 OH2 TIP3 10412 -16.737 20.513 -4.915 1.00 0.00 WAT +ATOM 37545 H1 TIP3 10412 -16.879 20.734 -5.849 1.00 0.00 WAT +ATOM 37546 H2 TIP3 10412 -15.818 20.776 -4.761 1.00 0.00 WAT +ATOM 37547 OH2 TIP3 10413 -7.587 22.893 -5.353 1.00 0.00 WAT +ATOM 37548 H1 TIP3 10413 -7.733 22.852 -6.307 1.00 0.00 WAT +ATOM 37549 H2 TIP3 10413 -7.283 23.806 -5.246 1.00 0.00 WAT +ATOM 37550 OH2 TIP3 10414 -10.357 22.146 11.273 1.00 0.00 WAT +ATOM 37551 H1 TIP3 10414 -10.695 22.937 10.853 1.00 0.00 WAT +ATOM 37552 H2 TIP3 10414 -9.461 22.090 10.893 1.00 0.00 WAT +ATOM 37553 OH2 TIP3 10415 -19.608 19.419 11.944 1.00 0.00 WAT +ATOM 37554 H1 TIP3 10415 -20.226 18.668 11.868 1.00 0.00 WAT +ATOM 37555 H2 TIP3 10415 -18.906 19.174 11.322 1.00 0.00 WAT +ATOM 37556 OH2 TIP3 10416 -21.203 17.064 11.847 1.00 0.00 WAT +ATOM 37557 H1 TIP3 10416 -21.252 16.336 11.201 1.00 0.00 WAT +ATOM 37558 H2 TIP3 10416 -21.396 16.596 12.681 1.00 0.00 WAT +ATOM 37559 OH2 TIP3 10417 -16.360 14.690 12.970 1.00 0.00 WAT +ATOM 37560 H1 TIP3 10417 -16.374 14.324 12.082 1.00 0.00 WAT +ATOM 37561 H2 TIP3 10417 -16.778 15.562 12.859 1.00 0.00 WAT +ATOM 37562 OH2 TIP3 10418 -17.158 31.871 -3.730 1.00 0.00 WAT +ATOM 37563 H1 TIP3 10418 -16.220 32.032 -3.561 1.00 0.00 WAT +ATOM 37564 H2 TIP3 10418 -17.283 32.391 -4.534 1.00 0.00 WAT +ATOM 37565 OH2 TIP3 10419 -23.150 26.405 -4.231 1.00 0.00 WAT +ATOM 37566 H1 TIP3 10419 -22.201 26.523 -4.039 1.00 0.00 WAT +ATOM 37567 H2 TIP3 10419 -23.147 25.595 -4.779 1.00 0.00 WAT +ATOM 37568 OH2 TIP3 10420 -24.245 31.565 0.522 1.00 0.00 WAT +ATOM 37569 H1 TIP3 10420 -24.961 31.180 -0.019 1.00 0.00 WAT +ATOM 37570 H2 TIP3 10420 -24.133 30.880 1.212 1.00 0.00 WAT +ATOM 37571 OH2 TIP3 10421 -23.858 29.582 2.511 1.00 0.00 WAT +ATOM 37572 H1 TIP3 10421 -24.137 28.707 2.828 1.00 0.00 WAT +ATOM 37573 H2 TIP3 10421 -23.476 29.928 3.333 1.00 0.00 WAT +ATOM 37574 OH2 TIP3 10422 -6.349 30.878 5.492 1.00 0.00 WAT +ATOM 37575 H1 TIP3 10422 -6.166 30.760 6.434 1.00 0.00 WAT +ATOM 37576 H2 TIP3 10422 -5.473 31.097 5.147 1.00 0.00 WAT +ATOM 37577 OH2 TIP3 10423 -6.481 30.228 8.388 1.00 0.00 WAT +ATOM 37578 H1 TIP3 10423 -6.936 29.466 7.999 1.00 0.00 WAT +ATOM 37579 H2 TIP3 10423 -5.887 29.779 9.010 1.00 0.00 WAT +ATOM 37580 OH2 TIP3 10424 -8.475 25.672 12.715 1.00 0.00 WAT +ATOM 37581 H1 TIP3 10424 -9.289 25.735 13.245 1.00 0.00 WAT +ATOM 37582 H2 TIP3 10424 -7.989 26.470 12.988 1.00 0.00 WAT +ATOM 37583 OH2 TIP3 10425 -8.301 27.744 7.528 1.00 0.00 WAT +ATOM 37584 H1 TIP3 10425 -8.908 28.289 8.068 1.00 0.00 WAT +ATOM 37585 H2 TIP3 10425 -8.783 27.694 6.689 1.00 0.00 WAT +ATOM 37586 OH2 TIP3 10426 -23.645 22.919 4.960 1.00 0.00 WAT +ATOM 37587 H1 TIP3 10426 -23.439 22.916 4.008 1.00 0.00 WAT +ATOM 37588 H2 TIP3 10426 -22.766 22.700 5.331 1.00 0.00 WAT +ATOM 37589 OH2 TIP3 10427 -7.734 22.558 10.310 1.00 0.00 WAT +ATOM 37590 H1 TIP3 10427 -7.212 21.870 10.742 1.00 0.00 WAT +ATOM 37591 H2 TIP3 10427 -7.200 23.363 10.409 1.00 0.00 WAT +ATOM 37592 OH2 TIP3 10428 -23.794 18.272 11.257 1.00 0.00 WAT +ATOM 37593 H1 TIP3 10428 -22.857 17.999 11.296 1.00 0.00 WAT +ATOM 37594 H2 TIP3 10428 -24.238 17.408 11.328 1.00 0.00 WAT +ATOM 37595 OH2 TIP3 10429 -22.743 16.656 4.215 1.00 0.00 WAT +ATOM 37596 H1 TIP3 10429 -22.290 15.784 4.221 1.00 0.00 WAT +ATOM 37597 H2 TIP3 10429 -22.103 17.177 4.707 1.00 0.00 WAT +ATOM 37598 OH2 TIP3 10430 -24.529 19.337 5.048 1.00 0.00 WAT +ATOM 37599 H1 TIP3 10430 -23.836 19.200 4.376 1.00 0.00 WAT +ATOM 37600 H2 TIP3 10430 -24.137 20.056 5.557 1.00 0.00 WAT +ATOM 37601 OH2 TIP3 10431 -6.235 15.873 11.634 1.00 0.00 WAT +ATOM 37602 H1 TIP3 10431 -7.169 16.067 11.800 1.00 0.00 WAT +ATOM 37603 H2 TIP3 10431 -6.265 15.063 11.124 1.00 0.00 WAT +ATOM 37604 OH2 TIP3 10432 -24.036 15.688 -0.718 1.00 0.00 WAT +ATOM 37605 H1 TIP3 10432 -24.951 15.650 -1.025 1.00 0.00 WAT +ATOM 37606 H2 TIP3 10432 -23.553 15.996 -1.503 1.00 0.00 WAT +ATOM 37607 OH2 TIP3 10433 -9.382 30.922 1.301 1.00 0.00 WAT +ATOM 37608 H1 TIP3 10433 -8.926 30.665 0.477 1.00 0.00 WAT +ATOM 37609 H2 TIP3 10433 -8.645 31.240 1.839 1.00 0.00 WAT +ATOM 37610 OH2 TIP3 10434 -23.969 14.353 7.324 1.00 0.00 WAT +ATOM 37611 H1 TIP3 10434 -24.653 14.220 7.993 1.00 0.00 WAT +ATOM 37612 H2 TIP3 10434 -24.407 14.956 6.701 1.00 0.00 WAT +ATOM 37613 OH2 TIP3 10435 -21.946 27.417 11.890 1.00 0.00 WAT +ATOM 37614 H1 TIP3 10435 -22.694 27.589 11.299 1.00 0.00 WAT +ATOM 37615 H2 TIP3 10435 -22.310 27.584 12.765 1.00 0.00 WAT +ATOM 37616 OH2 TIP3 10436 -14.849 29.812 10.538 1.00 0.00 WAT +ATOM 37617 H1 TIP3 10436 -14.659 29.394 11.386 1.00 0.00 WAT +ATOM 37618 H2 TIP3 10436 -13.965 30.070 10.235 1.00 0.00 WAT +ATOM 37619 OH2 TIP3 10437 -12.395 31.298 9.903 1.00 0.00 WAT +ATOM 37620 H1 TIP3 10437 -11.774 30.571 9.770 1.00 0.00 WAT +ATOM 37621 H2 TIP3 10437 -12.151 31.599 10.799 1.00 0.00 WAT +ATOM 37622 OH2 TIP3 10438 -21.832 31.522 8.050 1.00 0.00 WAT +ATOM 37623 H1 TIP3 10438 -22.389 32.185 7.605 1.00 0.00 WAT +ATOM 37624 H2 TIP3 10438 -22.150 31.598 8.957 1.00 0.00 WAT +ATOM 37625 OH2 TIP3 10439 -19.199 30.959 6.541 1.00 0.00 WAT +ATOM 37626 H1 TIP3 10439 -20.009 31.050 7.073 1.00 0.00 WAT +ATOM 37627 H2 TIP3 10439 -19.218 31.734 5.967 1.00 0.00 WAT +ATOM 37628 OH2 TIP3 10440 -14.434 31.290 6.111 1.00 0.00 WAT +ATOM 37629 H1 TIP3 10440 -15.006 31.685 5.436 1.00 0.00 WAT +ATOM 37630 H2 TIP3 10440 -14.522 31.913 6.848 1.00 0.00 WAT +ATOM 37631 OH2 TIP3 10441 -12.130 29.911 6.994 1.00 0.00 WAT +ATOM 37632 H1 TIP3 10441 -13.027 30.184 6.711 1.00 0.00 WAT +ATOM 37633 H2 TIP3 10441 -11.679 30.767 7.007 1.00 0.00 WAT +ATOM 37634 OH2 TIP3 10442 -9.655 31.724 7.250 1.00 0.00 WAT +ATOM 37635 H1 TIP3 10442 -9.736 32.674 7.042 1.00 0.00 WAT +ATOM 37636 H2 TIP3 10442 -9.397 31.374 6.380 1.00 0.00 WAT +ATOM 37637 OH2 TIP3 10443 -22.210 30.316 4.988 1.00 0.00 WAT +ATOM 37638 H1 TIP3 10443 -22.209 29.861 5.856 1.00 0.00 WAT +ATOM 37639 H2 TIP3 10443 -21.431 29.893 4.572 1.00 0.00 WAT +ATOM 37640 OH2 TIP3 10444 -20.168 29.049 3.465 1.00 0.00 WAT +ATOM 37641 H1 TIP3 10444 -20.284 28.117 3.751 1.00 0.00 WAT +ATOM 37642 H2 TIP3 10444 -19.270 29.236 3.799 1.00 0.00 WAT +ATOM 37643 OH2 TIP3 10445 -17.402 29.462 4.406 1.00 0.00 WAT +ATOM 37644 H1 TIP3 10445 -17.119 28.566 4.179 1.00 0.00 WAT +ATOM 37645 H2 TIP3 10445 -17.476 29.425 5.373 1.00 0.00 WAT +ATOM 37646 OH2 TIP3 10446 -21.608 13.787 1.245 1.00 0.00 WAT +ATOM 37647 H1 TIP3 10446 -22.478 13.668 0.815 1.00 0.00 WAT +ATOM 37648 H2 TIP3 10446 -21.186 12.935 1.078 1.00 0.00 WAT +ATOM 37649 OH2 TIP3 10447 -22.777 29.602 -1.778 1.00 0.00 WAT +ATOM 37650 H1 TIP3 10447 -23.410 29.496 -2.504 1.00 0.00 WAT +ATOM 37651 H2 TIP3 10447 -22.770 30.565 -1.690 1.00 0.00 WAT +ATOM 37652 OH2 TIP3 10448 -21.041 15.506 -4.702 1.00 0.00 WAT +ATOM 37653 H1 TIP3 10448 -20.571 14.670 -4.781 1.00 0.00 WAT +ATOM 37654 H2 TIP3 10448 -20.783 15.765 -3.802 1.00 0.00 WAT +ATOM 37655 OH2 TIP3 10449 -16.090 15.314 -1.907 1.00 0.00 WAT +ATOM 37656 H1 TIP3 10449 -15.668 15.177 -1.046 1.00 0.00 WAT +ATOM 37657 H2 TIP3 10449 -15.437 14.924 -2.496 1.00 0.00 WAT +ATOM 37658 OH2 TIP3 10450 -13.993 31.688 -3.845 1.00 0.00 WAT +ATOM 37659 H1 TIP3 10450 -13.045 31.494 -3.762 1.00 0.00 WAT +ATOM 37660 H2 TIP3 10450 -14.308 30.864 -4.240 1.00 0.00 WAT +ATOM 37661 OH2 TIP3 10451 -7.787 30.312 -1.168 1.00 0.00 WAT +ATOM 37662 H1 TIP3 10451 -7.630 29.436 -1.559 1.00 0.00 WAT +ATOM 37663 H2 TIP3 10451 -7.573 30.897 -1.910 1.00 0.00 WAT +ATOM 37664 OH2 TIP3 10452 -21.944 14.391 10.648 1.00 0.00 WAT +ATOM 37665 H1 TIP3 10452 -22.356 13.582 10.999 1.00 0.00 WAT +ATOM 37666 H2 TIP3 10452 -21.013 14.245 10.881 1.00 0.00 WAT +ATOM 37667 OH2 TIP3 10453 -19.592 13.760 12.408 1.00 0.00 WAT +ATOM 37668 H1 TIP3 10453 -18.747 13.383 12.131 1.00 0.00 WAT +ATOM 37669 H2 TIP3 10453 -19.977 12.977 12.836 1.00 0.00 WAT +ATOM 37670 OH2 TIP3 10454 -21.350 30.513 -4.981 1.00 0.00 WAT +ATOM 37671 H1 TIP3 10454 -21.563 30.829 -4.091 1.00 0.00 WAT +ATOM 37672 H2 TIP3 10454 -20.523 30.021 -4.839 1.00 0.00 WAT +ATOM 37673 OH2 TIP3 10455 -8.096 29.224 11.270 1.00 0.00 WAT +ATOM 37674 H1 TIP3 10455 -8.853 29.009 10.698 1.00 0.00 WAT +ATOM 37675 H2 TIP3 10455 -8.285 30.156 11.490 1.00 0.00 WAT +ATOM 37676 OH2 TIP3 10456 6.206 22.941 1.350 1.00 0.00 WAT +ATOM 37677 H1 TIP3 10456 6.106 23.910 1.343 1.00 0.00 WAT +ATOM 37678 H2 TIP3 10456 5.385 22.632 0.952 1.00 0.00 WAT +ATOM 37679 OH2 TIP3 10457 4.956 22.338 4.460 1.00 0.00 WAT +ATOM 37680 H1 TIP3 10457 4.967 21.730 5.213 1.00 0.00 WAT +ATOM 37681 H2 TIP3 10457 4.636 21.748 3.759 1.00 0.00 WAT +ATOM 37682 OH2 TIP3 10458 8.646 25.101 2.826 1.00 0.00 WAT +ATOM 37683 H1 TIP3 10458 8.303 24.335 3.309 1.00 0.00 WAT +ATOM 37684 H2 TIP3 10458 8.914 25.679 3.553 1.00 0.00 WAT +ATOM 37685 OH2 TIP3 10459 -1.807 26.344 4.624 1.00 0.00 WAT +ATOM 37686 H1 TIP3 10459 -2.013 25.572 4.081 1.00 0.00 WAT +ATOM 37687 H2 TIP3 10459 -0.868 26.213 4.828 1.00 0.00 WAT +ATOM 37688 OH2 TIP3 10460 5.717 30.445 3.400 1.00 0.00 WAT +ATOM 37689 H1 TIP3 10460 6.299 29.729 3.079 1.00 0.00 WAT +ATOM 37690 H2 TIP3 10460 5.433 30.097 4.255 1.00 0.00 WAT +ATOM 37691 OH2 TIP3 10461 3.474 24.863 5.028 1.00 0.00 WAT +ATOM 37692 H1 TIP3 10461 3.797 24.088 4.533 1.00 0.00 WAT +ATOM 37693 H2 TIP3 10461 4.273 25.033 5.559 1.00 0.00 WAT +ATOM 37694 OH2 TIP3 10462 5.872 25.684 0.225 1.00 0.00 WAT +ATOM 37695 H1 TIP3 10462 5.771 25.586 -0.726 1.00 0.00 WAT +ATOM 37696 H2 TIP3 10462 5.571 26.598 0.380 1.00 0.00 WAT +ATOM 37697 OH2 TIP3 10463 1.419 23.606 6.857 1.00 0.00 WAT +ATOM 37698 H1 TIP3 10463 0.558 24.053 6.897 1.00 0.00 WAT +ATOM 37699 H2 TIP3 10463 1.957 24.219 6.333 1.00 0.00 WAT +ATOM 37700 OH2 TIP3 10464 -0.571 25.708 7.697 1.00 0.00 WAT +ATOM 37701 H1 TIP3 10464 -0.526 26.612 7.341 1.00 0.00 WAT +ATOM 37702 H2 TIP3 10464 -1.432 25.744 8.149 1.00 0.00 WAT +ATOM 37703 OH2 TIP3 10465 9.207 26.902 5.334 1.00 0.00 WAT +ATOM 37704 H1 TIP3 10465 8.238 27.003 5.352 1.00 0.00 WAT +ATOM 37705 H2 TIP3 10465 9.472 27.760 4.958 1.00 0.00 WAT +ATOM 37706 OH2 TIP3 10466 7.511 28.827 1.920 1.00 0.00 WAT +ATOM 37707 H1 TIP3 10466 7.983 28.028 1.605 1.00 0.00 WAT +ATOM 37708 H2 TIP3 10466 8.181 29.518 1.771 1.00 0.00 WAT +ATOM 37709 OH2 TIP3 10467 8.902 26.731 0.528 1.00 0.00 WAT +ATOM 37710 H1 TIP3 10467 8.550 26.190 -0.193 1.00 0.00 WAT +ATOM 37711 H2 TIP3 10467 8.899 26.084 1.262 1.00 0.00 WAT +ATOM 37712 OH2 TIP3 10468 10.515 25.521 9.000 1.00 0.00 WAT +ATOM 37713 H1 TIP3 10468 10.361 24.862 8.295 1.00 0.00 WAT +ATOM 37714 H2 TIP3 10468 10.630 26.339 8.486 1.00 0.00 WAT +ATOM 37715 OH2 TIP3 10469 12.308 21.686 7.202 1.00 0.00 WAT +ATOM 37716 H1 TIP3 10469 11.396 22.013 7.180 1.00 0.00 WAT +ATOM 37717 H2 TIP3 10469 12.568 21.742 6.271 1.00 0.00 WAT +ATOM 37718 OH2 TIP3 10470 8.322 22.469 -0.271 1.00 0.00 WAT +ATOM 37719 H1 TIP3 10470 7.620 22.634 0.404 1.00 0.00 WAT +ATOM 37720 H2 TIP3 10470 8.794 21.730 0.112 1.00 0.00 WAT +ATOM 37721 OH2 TIP3 10471 8.439 20.650 8.557 1.00 0.00 WAT +ATOM 37722 H1 TIP3 10471 8.360 21.371 9.189 1.00 0.00 WAT +ATOM 37723 H2 TIP3 10471 7.739 20.875 7.928 1.00 0.00 WAT +ATOM 37724 OH2 TIP3 10472 1.208 26.592 4.242 1.00 0.00 WAT +ATOM 37725 H1 TIP3 10472 1.177 26.169 3.373 1.00 0.00 WAT +ATOM 37726 H2 TIP3 10472 2.001 26.172 4.630 1.00 0.00 WAT +ATOM 37727 OH2 TIP3 10473 6.368 27.529 5.621 1.00 0.00 WAT +ATOM 37728 H1 TIP3 10473 6.427 28.170 6.349 1.00 0.00 WAT +ATOM 37729 H2 TIP3 10473 6.197 26.686 6.077 1.00 0.00 WAT +ATOM 37730 OH2 TIP3 10474 1.310 26.336 9.876 1.00 0.00 WAT +ATOM 37731 H1 TIP3 10474 0.778 26.990 10.362 1.00 0.00 WAT +ATOM 37732 H2 TIP3 10474 0.686 26.045 9.183 1.00 0.00 WAT +ATOM 37733 OH2 TIP3 10475 7.028 21.535 -2.791 1.00 0.00 WAT +ATOM 37734 H1 TIP3 10475 7.521 21.639 -1.967 1.00 0.00 WAT +ATOM 37735 H2 TIP3 10475 7.582 22.019 -3.430 1.00 0.00 WAT +ATOM 37736 OH2 TIP3 10476 -2.107 22.388 8.990 1.00 0.00 WAT +ATOM 37737 H1 TIP3 10476 -1.813 23.032 9.654 1.00 0.00 WAT +ATOM 37738 H2 TIP3 10476 -2.871 22.822 8.616 1.00 0.00 WAT +ATOM 37739 OH2 TIP3 10477 4.713 28.477 0.782 1.00 0.00 WAT +ATOM 37740 H1 TIP3 10477 5.153 28.759 1.593 1.00 0.00 WAT +ATOM 37741 H2 TIP3 10477 4.183 29.251 0.539 1.00 0.00 WAT +ATOM 37742 OH2 TIP3 10478 -0.612 28.530 10.697 1.00 0.00 WAT +ATOM 37743 H1 TIP3 10478 -0.714 28.541 9.729 1.00 0.00 WAT +ATOM 37744 H2 TIP3 10478 -1.485 28.229 11.012 1.00 0.00 WAT +ATOM 37745 OH2 TIP3 10479 12.031 27.744 -4.728 1.00 0.00 WAT +ATOM 37746 H1 TIP3 10479 12.200 28.677 -4.490 1.00 0.00 WAT +ATOM 37747 H2 TIP3 10479 12.905 27.338 -4.557 1.00 0.00 WAT +ATOM 37748 OH2 TIP3 10480 -5.161 24.555 7.710 1.00 0.00 WAT +ATOM 37749 H1 TIP3 10480 -5.454 24.742 6.797 1.00 0.00 WAT +ATOM 37750 H2 TIP3 10480 -5.211 23.598 7.736 1.00 0.00 WAT +ATOM 37751 OH2 TIP3 10481 13.281 28.138 10.503 1.00 0.00 WAT +ATOM 37752 H1 TIP3 10481 13.170 27.182 10.338 1.00 0.00 WAT +ATOM 37753 H2 TIP3 10481 12.375 28.375 10.801 1.00 0.00 WAT +ATOM 37754 OH2 TIP3 10482 3.927 27.393 9.309 1.00 0.00 WAT +ATOM 37755 H1 TIP3 10482 4.001 28.208 9.844 1.00 0.00 WAT +ATOM 37756 H2 TIP3 10482 3.030 27.079 9.543 1.00 0.00 WAT +ATOM 37757 OH2 TIP3 10483 4.189 31.198 -0.703 1.00 0.00 WAT +ATOM 37758 H1 TIP3 10483 4.218 31.268 -1.672 1.00 0.00 WAT +ATOM 37759 H2 TIP3 10483 4.283 32.118 -0.413 1.00 0.00 WAT +ATOM 37760 OH2 TIP3 10484 -2.081 30.294 0.929 1.00 0.00 WAT +ATOM 37761 H1 TIP3 10484 -1.871 29.816 1.753 1.00 0.00 WAT +ATOM 37762 H2 TIP3 10484 -2.826 29.752 0.608 1.00 0.00 WAT +ATOM 37763 OH2 TIP3 10485 7.519 30.606 -3.536 1.00 0.00 WAT +ATOM 37764 H1 TIP3 10485 8.094 29.950 -3.976 1.00 0.00 WAT +ATOM 37765 H2 TIP3 10485 7.466 30.238 -2.631 1.00 0.00 WAT +ATOM 37766 OH2 TIP3 10486 6.914 30.044 -0.724 1.00 0.00 WAT +ATOM 37767 H1 TIP3 10486 5.957 30.145 -0.577 1.00 0.00 WAT +ATOM 37768 H2 TIP3 10486 7.097 29.314 -0.106 1.00 0.00 WAT +ATOM 37769 OH2 TIP3 10487 10.092 19.403 10.787 1.00 0.00 WAT +ATOM 37770 H1 TIP3 10487 9.553 19.765 10.059 1.00 0.00 WAT +ATOM 37771 H2 TIP3 10487 10.047 18.458 10.599 1.00 0.00 WAT +ATOM 37772 OH2 TIP3 10488 -2.976 26.179 9.062 1.00 0.00 WAT +ATOM 37773 H1 TIP3 10488 -2.664 25.698 9.859 1.00 0.00 WAT +ATOM 37774 H2 TIP3 10488 -3.678 25.614 8.708 1.00 0.00 WAT +ATOM 37775 OH2 TIP3 10489 8.620 22.870 -4.676 1.00 0.00 WAT +ATOM 37776 H1 TIP3 10489 8.575 22.667 -5.627 1.00 0.00 WAT +ATOM 37777 H2 TIP3 10489 9.557 23.101 -4.580 1.00 0.00 WAT +ATOM 37778 OH2 TIP3 10490 4.819 20.296 11.274 1.00 0.00 WAT +ATOM 37779 H1 TIP3 10490 4.367 19.466 11.524 1.00 0.00 WAT +ATOM 37780 H2 TIP3 10490 5.727 20.118 11.580 1.00 0.00 WAT +ATOM 37781 OH2 TIP3 10491 -2.260 18.818 8.462 1.00 0.00 WAT +ATOM 37782 H1 TIP3 10491 -1.560 19.497 8.538 1.00 0.00 WAT +ATOM 37783 H2 TIP3 10491 -2.261 18.640 7.521 1.00 0.00 WAT +ATOM 37784 OH2 TIP3 10492 5.834 20.982 7.100 1.00 0.00 WAT +ATOM 37785 H1 TIP3 10492 6.084 20.240 6.522 1.00 0.00 WAT +ATOM 37786 H2 TIP3 10492 5.405 20.552 7.851 1.00 0.00 WAT +ATOM 37787 OH2 TIP3 10493 10.191 32.012 11.826 1.00 0.00 WAT +ATOM 37788 H1 TIP3 10493 10.423 32.453 10.992 1.00 0.00 WAT +ATOM 37789 H2 TIP3 10493 10.906 32.306 12.415 1.00 0.00 WAT +ATOM 37790 OH2 TIP3 10494 -1.896 24.605 11.140 1.00 0.00 WAT +ATOM 37791 H1 TIP3 10494 -1.185 24.655 11.812 1.00 0.00 WAT +ATOM 37792 H2 TIP3 10494 -2.667 24.572 11.738 1.00 0.00 WAT +ATOM 37793 OH2 TIP3 10495 3.525 19.744 4.126 1.00 0.00 WAT +ATOM 37794 H1 TIP3 10495 4.086 19.336 3.460 1.00 0.00 WAT +ATOM 37795 H2 TIP3 10495 3.410 19.055 4.793 1.00 0.00 WAT +ATOM 37796 OH2 TIP3 10496 10.053 23.714 6.843 1.00 0.00 WAT +ATOM 37797 H1 TIP3 10496 10.648 24.157 6.204 1.00 0.00 WAT +ATOM 37798 H2 TIP3 10496 9.279 23.516 6.285 1.00 0.00 WAT +ATOM 37799 OH2 TIP3 10497 4.651 24.566 9.415 1.00 0.00 WAT +ATOM 37800 H1 TIP3 10497 4.312 24.136 10.213 1.00 0.00 WAT +ATOM 37801 H2 TIP3 10497 4.268 25.454 9.467 1.00 0.00 WAT +ATOM 37802 OH2 TIP3 10498 5.128 25.760 -2.925 1.00 0.00 WAT +ATOM 37803 H1 TIP3 10498 4.838 26.627 -2.568 1.00 0.00 WAT +ATOM 37804 H2 TIP3 10498 4.382 25.188 -2.698 1.00 0.00 WAT +ATOM 37805 OH2 TIP3 10499 2.345 21.670 11.227 1.00 0.00 WAT +ATOM 37806 H1 TIP3 10499 1.964 21.402 10.373 1.00 0.00 WAT +ATOM 37807 H2 TIP3 10499 3.270 21.371 11.111 1.00 0.00 WAT +ATOM 37808 OH2 TIP3 10500 6.847 27.151 8.869 1.00 0.00 WAT +ATOM 37809 H1 TIP3 10500 5.876 27.147 8.828 1.00 0.00 WAT +ATOM 37810 H2 TIP3 10500 7.004 27.308 9.814 1.00 0.00 WAT +ATOM 37811 OH2 TIP3 10501 12.843 25.203 10.456 1.00 0.00 WAT +ATOM 37812 H1 TIP3 10501 11.891 25.364 10.278 1.00 0.00 WAT +ATOM 37813 H2 TIP3 10501 13.152 24.962 9.561 1.00 0.00 WAT +ATOM 37814 OH2 TIP3 10502 10.575 27.745 -2.217 1.00 0.00 WAT +ATOM 37815 H1 TIP3 10502 10.254 26.967 -1.734 1.00 0.00 WAT +ATOM 37816 H2 TIP3 10502 11.108 27.357 -2.924 1.00 0.00 WAT +ATOM 37817 OH2 TIP3 10503 7.977 22.800 4.912 1.00 0.00 WAT +ATOM 37818 H1 TIP3 10503 7.018 22.696 4.772 1.00 0.00 WAT +ATOM 37819 H2 TIP3 10503 8.294 21.914 4.704 1.00 0.00 WAT +ATOM 37820 OH2 TIP3 10504 0.525 26.879 0.992 1.00 0.00 WAT +ATOM 37821 H1 TIP3 10504 1.004 27.721 1.004 1.00 0.00 WAT +ATOM 37822 H2 TIP3 10504 -0.394 27.157 1.052 1.00 0.00 WAT +ATOM 37823 OH2 TIP3 10505 2.441 29.102 7.165 1.00 0.00 WAT +ATOM 37824 H1 TIP3 10505 3.012 29.837 6.885 1.00 0.00 WAT +ATOM 37825 H2 TIP3 10505 3.053 28.590 7.720 1.00 0.00 WAT +ATOM 37826 OH2 TIP3 10506 0.902 30.001 0.433 1.00 0.00 WAT +ATOM 37827 H1 TIP3 10506 -0.058 30.117 0.502 1.00 0.00 WAT +ATOM 37828 H2 TIP3 10506 1.226 30.893 0.653 1.00 0.00 WAT +ATOM 37829 OH2 TIP3 10507 5.966 24.788 6.715 1.00 0.00 WAT +ATOM 37830 H1 TIP3 10507 5.586 24.556 7.582 1.00 0.00 WAT +ATOM 37831 H2 TIP3 10507 6.683 24.140 6.645 1.00 0.00 WAT +ATOM 37832 OH2 TIP3 10508 7.942 26.144 -4.278 1.00 0.00 WAT +ATOM 37833 H1 TIP3 10508 8.416 25.694 -3.557 1.00 0.00 WAT +ATOM 37834 H2 TIP3 10508 7.028 25.937 -4.026 1.00 0.00 WAT +ATOM 37835 OH2 TIP3 10509 8.801 29.422 9.135 1.00 0.00 WAT +ATOM 37836 H1 TIP3 10509 8.050 28.938 8.736 1.00 0.00 WAT +ATOM 37837 H2 TIP3 10509 8.880 30.201 8.555 1.00 0.00 WAT +ATOM 37838 OH2 TIP3 10510 12.764 30.413 -3.814 1.00 0.00 WAT +ATOM 37839 H1 TIP3 10510 13.462 31.053 -4.035 1.00 0.00 WAT +ATOM 37840 H2 TIP3 10510 11.996 31.013 -3.813 1.00 0.00 WAT +ATOM 37841 OH2 TIP3 10511 9.185 24.825 -1.904 1.00 0.00 WAT +ATOM 37842 H1 TIP3 10511 8.751 24.037 -1.524 1.00 0.00 WAT +ATOM 37843 H2 TIP3 10511 10.119 24.623 -1.700 1.00 0.00 WAT +ATOM 37844 OH2 TIP3 10512 -3.630 28.584 7.193 1.00 0.00 WAT +ATOM 37845 H1 TIP3 10512 -3.345 27.662 7.236 1.00 0.00 WAT +ATOM 37846 H2 TIP3 10512 -3.340 28.910 8.051 1.00 0.00 WAT +ATOM 37847 OH2 TIP3 10513 2.232 27.155 -5.778 1.00 0.00 WAT +ATOM 37848 H1 TIP3 10513 2.498 26.350 -6.260 1.00 0.00 WAT +ATOM 37849 H2 TIP3 10513 1.937 26.776 -4.929 1.00 0.00 WAT +ATOM 37850 OH2 TIP3 10514 1.410 26.545 -3.046 1.00 0.00 WAT +ATOM 37851 H1 TIP3 10514 1.623 26.075 -2.229 1.00 0.00 WAT +ATOM 37852 H2 TIP3 10514 1.317 27.470 -2.744 1.00 0.00 WAT +ATOM 37853 OH2 TIP3 10515 4.095 28.345 -2.423 1.00 0.00 WAT +ATOM 37854 H1 TIP3 10515 3.245 28.789 -2.270 1.00 0.00 WAT +ATOM 37855 H2 TIP3 10515 4.422 28.807 -3.208 1.00 0.00 WAT +ATOM 37856 OH2 TIP3 10516 3.722 18.779 8.850 1.00 0.00 WAT +ATOM 37857 H1 TIP3 10516 3.922 19.522 9.433 1.00 0.00 WAT +ATOM 37858 H2 TIP3 10516 4.491 18.207 8.963 1.00 0.00 WAT +ATOM 37859 OH2 TIP3 10517 1.271 29.348 -2.442 1.00 0.00 WAT +ATOM 37860 H1 TIP3 10517 1.189 30.168 -2.971 1.00 0.00 WAT +ATOM 37861 H2 TIP3 10517 1.119 29.677 -1.538 1.00 0.00 WAT +ATOM 37862 OH2 TIP3 10518 9.828 29.688 5.006 1.00 0.00 WAT +ATOM 37863 H1 TIP3 10518 9.673 30.515 4.512 1.00 0.00 WAT +ATOM 37864 H2 TIP3 10518 10.752 29.811 5.272 1.00 0.00 WAT +ATOM 37865 OH2 TIP3 10519 -3.713 27.903 0.430 1.00 0.00 WAT +ATOM 37866 H1 TIP3 10519 -4.662 27.930 0.235 1.00 0.00 WAT +ATOM 37867 H2 TIP3 10519 -3.346 28.065 -0.448 1.00 0.00 WAT +ATOM 37868 OH2 TIP3 10520 -4.261 30.591 11.426 1.00 0.00 WAT +ATOM 37869 H1 TIP3 10520 -3.676 30.309 12.156 1.00 0.00 WAT +ATOM 37870 H2 TIP3 10520 -4.642 29.737 11.142 1.00 0.00 WAT +ATOM 37871 OH2 TIP3 10521 0.430 29.655 13.213 1.00 0.00 WAT +ATOM 37872 H1 TIP3 10521 1.125 29.011 13.422 1.00 0.00 WAT +ATOM 37873 H2 TIP3 10521 0.206 29.392 12.305 1.00 0.00 WAT +ATOM 37874 OH2 TIP3 10522 4.480 28.885 -5.275 1.00 0.00 WAT +ATOM 37875 H1 TIP3 10522 3.734 28.257 -5.379 1.00 0.00 WAT +ATOM 37876 H2 TIP3 10522 5.204 28.360 -5.653 1.00 0.00 WAT +ATOM 37877 OH2 TIP3 10523 6.893 27.934 11.808 1.00 0.00 WAT +ATOM 37878 H1 TIP3 10523 6.515 27.106 12.156 1.00 0.00 WAT +ATOM 37879 H2 TIP3 10523 7.599 28.125 12.449 1.00 0.00 WAT +ATOM 37880 OH2 TIP3 10524 9.109 28.800 -5.179 1.00 0.00 WAT +ATOM 37881 H1 TIP3 10524 9.270 28.005 -4.645 1.00 0.00 WAT +ATOM 37882 H2 TIP3 10524 9.913 28.839 -5.727 1.00 0.00 WAT +ATOM 37883 OH2 TIP3 10525 -4.305 24.295 12.520 1.00 0.00 WAT +ATOM 37884 H1 TIP3 10525 -4.162 23.355 12.293 1.00 0.00 WAT +ATOM 37885 H2 TIP3 10525 -5.102 24.511 12.003 1.00 0.00 WAT +ATOM 37886 OH2 TIP3 10526 2.313 24.445 11.915 1.00 0.00 WAT +ATOM 37887 H1 TIP3 10526 2.048 24.742 11.029 1.00 0.00 WAT +ATOM 37888 H2 TIP3 10526 2.454 23.483 11.783 1.00 0.00 WAT +ATOM 37889 OH2 TIP3 10527 5.116 25.878 -5.814 1.00 0.00 WAT +ATOM 37890 H1 TIP3 10527 5.044 25.836 -4.846 1.00 0.00 WAT +ATOM 37891 H2 TIP3 10527 4.995 24.937 -6.051 1.00 0.00 WAT +ATOM 37892 OH2 TIP3 10528 7.674 24.049 9.288 1.00 0.00 WAT +ATOM 37893 H1 TIP3 10528 8.460 24.564 9.055 1.00 0.00 WAT +ATOM 37894 H2 TIP3 10528 6.975 24.719 9.258 1.00 0.00 WAT +ATOM 37895 OH2 TIP3 10529 -3.370 21.599 11.963 1.00 0.00 WAT +ATOM 37896 H1 TIP3 10529 -2.661 20.943 11.830 1.00 0.00 WAT +ATOM 37897 H2 TIP3 10529 -3.356 21.681 12.935 1.00 0.00 WAT +ATOM 37898 OH2 TIP3 10530 0.257 20.588 9.045 1.00 0.00 WAT +ATOM 37899 H1 TIP3 10530 -0.323 21.347 9.227 1.00 0.00 WAT +ATOM 37900 H2 TIP3 10530 0.836 20.947 8.350 1.00 0.00 WAT +ATOM 37901 OH2 TIP3 10531 5.519 23.193 12.723 1.00 0.00 WAT +ATOM 37902 H1 TIP3 10531 6.402 22.993 12.381 1.00 0.00 WAT +ATOM 37903 H2 TIP3 10531 5.253 22.331 13.073 1.00 0.00 WAT +ATOM 37904 OH2 TIP3 10532 11.413 23.201 -5.526 1.00 0.00 WAT +ATOM 37905 H1 TIP3 10532 11.218 22.832 -6.398 1.00 0.00 WAT +ATOM 37906 H2 TIP3 10532 11.372 24.157 -5.725 1.00 0.00 WAT +ATOM 37907 OH2 TIP3 10533 0.753 17.911 10.397 1.00 0.00 WAT +ATOM 37908 H1 TIP3 10533 0.577 17.174 9.801 1.00 0.00 WAT +ATOM 37909 H2 TIP3 10533 0.690 18.684 9.805 1.00 0.00 WAT +ATOM 37910 OH2 TIP3 10534 2.943 21.791 8.169 1.00 0.00 WAT +ATOM 37911 H1 TIP3 10534 3.657 21.686 7.530 1.00 0.00 WAT +ATOM 37912 H2 TIP3 10534 2.415 22.497 7.738 1.00 0.00 WAT +ATOM 37913 OH2 TIP3 10535 7.282 19.653 13.010 1.00 0.00 WAT +ATOM 37914 H1 TIP3 10535 7.462 18.703 12.981 1.00 0.00 WAT +ATOM 37915 H2 TIP3 10535 8.168 20.022 12.870 1.00 0.00 WAT +ATOM 37916 OH2 TIP3 10536 8.244 22.285 11.285 1.00 0.00 WAT +ATOM 37917 H1 TIP3 10536 7.876 22.891 10.605 1.00 0.00 WAT +ATOM 37918 H2 TIP3 10536 9.175 22.241 10.981 1.00 0.00 WAT +ATOM 37919 OH2 TIP3 10537 -1.077 19.541 12.032 1.00 0.00 WAT +ATOM 37920 H1 TIP3 10537 -1.682 18.785 12.036 1.00 0.00 WAT +ATOM 37921 H2 TIP3 10537 -0.298 19.184 11.574 1.00 0.00 WAT +ATOM 37922 OH2 TIP3 10538 3.273 18.047 11.849 1.00 0.00 WAT +ATOM 37923 H1 TIP3 10538 2.925 17.878 12.740 1.00 0.00 WAT +ATOM 37924 H2 TIP3 10538 2.455 17.977 11.321 1.00 0.00 WAT +ATOM 37925 OH2 TIP3 10539 5.862 17.312 10.579 1.00 0.00 WAT +ATOM 37926 H1 TIP3 10539 4.999 17.297 11.015 1.00 0.00 WAT +ATOM 37927 H2 TIP3 10539 6.349 16.603 11.028 1.00 0.00 WAT +ATOM 37928 OH2 TIP3 10540 7.490 15.266 12.509 1.00 0.00 WAT +ATOM 37929 H1 TIP3 10540 7.386 14.356 12.812 1.00 0.00 WAT +ATOM 37930 H2 TIP3 10540 7.307 15.788 13.307 1.00 0.00 WAT +ATOM 37931 OH2 TIP3 10541 -2.871 16.944 11.535 1.00 0.00 WAT +ATOM 37932 H1 TIP3 10541 -2.357 16.198 11.206 1.00 0.00 WAT +ATOM 37933 H2 TIP3 10541 -2.957 16.697 12.478 1.00 0.00 WAT +ATOM 37934 OH2 TIP3 10542 2.656 14.993 13.044 1.00 0.00 WAT +ATOM 37935 H1 TIP3 10542 2.678 14.474 12.232 1.00 0.00 WAT +ATOM 37936 H2 TIP3 10542 1.971 15.666 12.882 1.00 0.00 WAT +ATOM 37937 OH2 TIP3 10543 1.716 31.960 -3.743 1.00 0.00 WAT +ATOM 37938 H1 TIP3 10543 2.669 32.073 -3.621 1.00 0.00 WAT +ATOM 37939 H2 TIP3 10543 1.585 32.424 -4.580 1.00 0.00 WAT +ATOM 37940 OH2 TIP3 10544 -4.289 26.609 -4.584 1.00 0.00 WAT +ATOM 37941 H1 TIP3 10544 -3.681 26.508 -3.843 1.00 0.00 WAT +ATOM 37942 H2 TIP3 10544 -4.621 25.703 -4.698 1.00 0.00 WAT +ATOM 37943 OH2 TIP3 10545 -5.518 31.489 0.447 1.00 0.00 WAT +ATOM 37944 H1 TIP3 10545 -6.234 31.037 -0.031 1.00 0.00 WAT +ATOM 37945 H2 TIP3 10545 -5.308 30.834 1.144 1.00 0.00 WAT +ATOM 37946 OH2 TIP3 10546 -5.093 29.644 2.605 1.00 0.00 WAT +ATOM 37947 H1 TIP3 10546 -5.220 28.695 2.708 1.00 0.00 WAT +ATOM 37948 H2 TIP3 10546 -4.610 29.866 3.417 1.00 0.00 WAT +ATOM 37949 OH2 TIP3 10547 12.561 30.859 5.514 1.00 0.00 WAT +ATOM 37950 H1 TIP3 10547 12.707 30.821 6.472 1.00 0.00 WAT +ATOM 37951 H2 TIP3 10547 13.427 31.146 5.195 1.00 0.00 WAT +ATOM 37952 OH2 TIP3 10548 12.468 30.288 8.385 1.00 0.00 WAT +ATOM 37953 H1 TIP3 10548 11.930 29.548 8.043 1.00 0.00 WAT +ATOM 37954 H2 TIP3 10548 12.994 29.819 9.051 1.00 0.00 WAT +ATOM 37955 OH2 TIP3 10549 10.462 25.716 12.689 1.00 0.00 WAT +ATOM 37956 H1 TIP3 10549 9.575 25.775 13.080 1.00 0.00 WAT +ATOM 37957 H2 TIP3 10549 10.904 26.518 13.014 1.00 0.00 WAT +ATOM 37958 OH2 TIP3 10550 11.906 24.181 -1.197 1.00 0.00 WAT +ATOM 37959 H1 TIP3 10550 12.790 24.566 -1.049 1.00 0.00 WAT +ATOM 37960 H2 TIP3 10550 11.891 23.462 -0.552 1.00 0.00 WAT +ATOM 37961 OH2 TIP3 10551 12.048 25.067 5.375 1.00 0.00 WAT +ATOM 37962 H1 TIP3 10551 12.636 24.527 4.819 1.00 0.00 WAT +ATOM 37963 H2 TIP3 10551 12.194 25.962 5.030 1.00 0.00 WAT +ATOM 37964 OH2 TIP3 10552 10.766 28.031 7.598 1.00 0.00 WAT +ATOM 37965 H1 TIP3 10552 10.021 28.383 8.118 1.00 0.00 WAT +ATOM 37966 H2 TIP3 10552 10.307 27.625 6.836 1.00 0.00 WAT +ATOM 37967 OH2 TIP3 10553 12.643 21.943 -3.007 1.00 0.00 WAT +ATOM 37968 H1 TIP3 10553 12.018 22.059 -3.737 1.00 0.00 WAT +ATOM 37969 H2 TIP3 10553 12.404 22.653 -2.401 1.00 0.00 WAT +ATOM 37970 OH2 TIP3 10554 11.313 19.335 -4.877 1.00 0.00 WAT +ATOM 37971 H1 TIP3 10554 10.947 20.010 -5.447 1.00 0.00 WAT +ATOM 37972 H2 TIP3 10554 10.717 18.581 -4.990 1.00 0.00 WAT +ATOM 37973 OH2 TIP3 10555 10.390 20.411 1.769 1.00 0.00 WAT +ATOM 37974 H1 TIP3 10555 10.433 19.849 0.974 1.00 0.00 WAT +ATOM 37975 H2 TIP3 10555 9.612 20.950 1.666 1.00 0.00 WAT +ATOM 37976 OH2 TIP3 10556 10.914 22.646 10.538 1.00 0.00 WAT +ATOM 37977 H1 TIP3 10556 11.599 21.958 10.473 1.00 0.00 WAT +ATOM 37978 H2 TIP3 10556 11.371 23.426 10.197 1.00 0.00 WAT +ATOM 37979 OH2 TIP3 10557 12.470 20.508 11.580 1.00 0.00 WAT +ATOM 37980 H1 TIP3 10557 11.642 20.075 11.282 1.00 0.00 WAT +ATOM 37981 H2 TIP3 10557 13.118 19.817 11.355 1.00 0.00 WAT +ATOM 37982 OH2 TIP3 10558 13.504 14.188 12.811 1.00 0.00 WAT +ATOM 37983 H1 TIP3 10558 13.297 13.243 12.857 1.00 0.00 WAT +ATOM 37984 H2 TIP3 10558 12.886 14.521 12.157 1.00 0.00 WAT +ATOM 37985 OH2 TIP3 10559 9.433 30.943 1.309 1.00 0.00 WAT +ATOM 37986 H1 TIP3 10559 9.902 30.646 0.512 1.00 0.00 WAT +ATOM 37987 H2 TIP3 10559 10.160 31.244 1.866 1.00 0.00 WAT +ATOM 37988 OH2 TIP3 10560 -3.144 27.603 12.034 1.00 0.00 WAT +ATOM 37989 H1 TIP3 10560 -3.881 27.587 11.407 1.00 0.00 WAT +ATOM 37990 H2 TIP3 10560 -3.593 27.549 12.889 1.00 0.00 WAT +ATOM 37991 OH2 TIP3 10561 -0.327 28.583 7.711 1.00 0.00 WAT +ATOM 37992 H1 TIP3 10561 -0.625 29.440 7.359 1.00 0.00 WAT +ATOM 37993 H2 TIP3 10561 0.634 28.664 7.542 1.00 0.00 WAT +ATOM 37994 OH2 TIP3 10562 4.181 29.916 10.741 1.00 0.00 WAT +ATOM 37995 H1 TIP3 10562 4.342 29.714 11.676 1.00 0.00 WAT +ATOM 37996 H2 TIP3 10562 5.025 30.335 10.480 1.00 0.00 WAT +ATOM 37997 OH2 TIP3 10563 6.489 31.362 9.961 1.00 0.00 WAT +ATOM 37998 H1 TIP3 10563 7.164 30.704 9.732 1.00 0.00 WAT +ATOM 37999 H2 TIP3 10563 6.792 31.649 10.844 1.00 0.00 WAT +ATOM 38000 OH2 TIP3 10564 -2.931 31.549 8.053 1.00 0.00 WAT +ATOM 38001 H1 TIP3 10564 -3.541 32.159 7.602 1.00 0.00 WAT +ATOM 38002 H2 TIP3 10564 -3.283 31.574 8.950 1.00 0.00 WAT +ATOM 38003 OH2 TIP3 10565 -0.441 31.319 6.609 1.00 0.00 WAT +ATOM 38004 H1 TIP3 10565 -1.303 31.488 7.039 1.00 0.00 WAT +ATOM 38005 H2 TIP3 10565 -0.419 32.004 5.917 1.00 0.00 WAT +ATOM 38006 OH2 TIP3 10566 4.296 31.312 6.161 1.00 0.00 WAT +ATOM 38007 H1 TIP3 10566 3.914 31.757 5.384 1.00 0.00 WAT +ATOM 38008 H2 TIP3 10566 4.381 32.053 6.789 1.00 0.00 WAT +ATOM 38009 OH2 TIP3 10567 6.636 30.039 7.083 1.00 0.00 WAT +ATOM 38010 H1 TIP3 10567 5.788 30.379 6.744 1.00 0.00 WAT +ATOM 38011 H2 TIP3 10567 7.189 30.831 7.061 1.00 0.00 WAT +ATOM 38012 OH2 TIP3 10568 9.177 31.760 7.274 1.00 0.00 WAT +ATOM 38013 H1 TIP3 10568 9.125 32.708 7.044 1.00 0.00 WAT +ATOM 38014 H2 TIP3 10568 9.440 31.381 6.419 1.00 0.00 WAT +ATOM 38015 OH2 TIP3 10569 -3.386 30.306 4.960 1.00 0.00 WAT +ATOM 38016 H1 TIP3 10569 -3.456 29.795 5.798 1.00 0.00 WAT +ATOM 38017 H2 TIP3 10569 -2.612 29.869 4.552 1.00 0.00 WAT +ATOM 38018 OH2 TIP3 10570 -1.345 28.985 3.444 1.00 0.00 WAT +ATOM 38019 H1 TIP3 10570 -1.490 28.056 3.713 1.00 0.00 WAT +ATOM 38020 H2 TIP3 10570 -0.437 29.150 3.762 1.00 0.00 WAT +ATOM 38021 OH2 TIP3 10571 1.425 29.566 4.324 1.00 0.00 WAT +ATOM 38022 H1 TIP3 10571 1.623 28.642 4.095 1.00 0.00 WAT +ATOM 38023 H2 TIP3 10571 1.486 29.527 5.292 1.00 0.00 WAT +ATOM 38024 OH2 TIP3 10572 -3.809 29.582 -1.902 1.00 0.00 WAT +ATOM 38025 H1 TIP3 10572 -4.567 29.391 -2.472 1.00 0.00 WAT +ATOM 38026 H2 TIP3 10572 -3.945 30.522 -1.716 1.00 0.00 WAT +ATOM 38027 OH2 TIP3 10573 4.765 31.447 -3.667 1.00 0.00 WAT +ATOM 38028 H1 TIP3 10573 5.740 31.445 -3.705 1.00 0.00 WAT +ATOM 38029 H2 TIP3 10573 4.563 30.775 -4.338 1.00 0.00 WAT +ATOM 38030 OH2 TIP3 10574 11.262 30.461 -1.073 1.00 0.00 WAT +ATOM 38031 H1 TIP3 10574 11.042 29.606 -1.500 1.00 0.00 WAT +ATOM 38032 H2 TIP3 10574 11.237 31.062 -1.834 1.00 0.00 WAT +ATOM 38033 OH2 TIP3 10575 -0.937 13.782 12.520 1.00 0.00 WAT +ATOM 38034 H1 TIP3 10575 -0.192 13.344 12.098 1.00 0.00 WAT +ATOM 38035 H2 TIP3 10575 -1.414 13.040 12.919 1.00 0.00 WAT +ATOM 38036 OH2 TIP3 10576 -2.437 30.593 -4.979 1.00 0.00 WAT +ATOM 38037 H1 TIP3 10576 -2.742 30.781 -4.078 1.00 0.00 WAT +ATOM 38038 H2 TIP3 10576 -1.646 30.051 -4.822 1.00 0.00 WAT +ATOM 38039 OH2 TIP3 10577 10.775 29.238 11.300 1.00 0.00 WAT +ATOM 38040 H1 TIP3 10577 10.039 29.025 10.697 1.00 0.00 WAT +ATOM 38041 H2 TIP3 10577 10.576 30.170 11.507 1.00 0.00 WAT +ATOM 38042 OH2 TIP3 10578 24.969 22.942 1.480 1.00 0.00 WAT +ATOM 38043 H1 TIP3 10578 24.949 23.912 1.465 1.00 0.00 WAT +ATOM 38044 H2 TIP3 10578 24.270 22.712 0.853 1.00 0.00 WAT +ATOM 38045 OH2 TIP3 10579 23.682 22.408 4.528 1.00 0.00 WAT +ATOM 38046 H1 TIP3 10579 23.763 21.813 5.291 1.00 0.00 WAT +ATOM 38047 H2 TIP3 10579 23.575 21.765 3.809 1.00 0.00 WAT +ATOM 38048 OH2 TIP3 10580 16.246 21.960 6.205 1.00 0.00 WAT +ATOM 38049 H1 TIP3 10580 16.247 21.169 6.769 1.00 0.00 WAT +ATOM 38050 H2 TIP3 10580 17.016 22.435 6.550 1.00 0.00 WAT +ATOM 38051 OH2 TIP3 10581 27.489 25.096 2.831 1.00 0.00 WAT +ATOM 38052 H1 TIP3 10581 27.122 24.364 3.349 1.00 0.00 WAT +ATOM 38053 H2 TIP3 10581 27.789 25.689 3.534 1.00 0.00 WAT +ATOM 38054 OH2 TIP3 10582 17.247 26.493 4.532 1.00 0.00 WAT +ATOM 38055 H1 TIP3 10582 16.818 25.644 4.282 1.00 0.00 WAT +ATOM 38056 H2 TIP3 10582 17.879 26.155 5.179 1.00 0.00 WAT +ATOM 38057 OH2 TIP3 10583 14.676 22.398 2.176 1.00 0.00 WAT +ATOM 38058 H1 TIP3 10583 14.541 21.455 2.302 1.00 0.00 WAT +ATOM 38059 H2 TIP3 10583 15.303 22.404 1.447 1.00 0.00 WAT +ATOM 38060 OH2 TIP3 10584 24.525 30.416 3.388 1.00 0.00 WAT +ATOM 38061 H1 TIP3 10584 25.138 29.724 3.082 1.00 0.00 WAT +ATOM 38062 H2 TIP3 10584 24.309 30.110 4.278 1.00 0.00 WAT +ATOM 38063 OH2 TIP3 10585 22.195 24.947 4.900 1.00 0.00 WAT +ATOM 38064 H1 TIP3 10585 22.530 24.126 4.499 1.00 0.00 WAT +ATOM 38065 H2 TIP3 10585 22.952 25.160 5.470 1.00 0.00 WAT +ATOM 38066 OH2 TIP3 10586 30.976 16.350 5.757 1.00 0.00 WAT +ATOM 38067 H1 TIP3 10586 31.200 16.982 6.459 1.00 0.00 WAT +ATOM 38068 H2 TIP3 10586 31.543 16.670 5.033 1.00 0.00 WAT +ATOM 38069 OH2 TIP3 10587 25.757 19.078 5.614 1.00 0.00 WAT +ATOM 38070 H1 TIP3 10587 25.407 18.172 5.712 1.00 0.00 WAT +ATOM 38071 H2 TIP3 10587 25.531 19.224 4.680 1.00 0.00 WAT +ATOM 38072 OH2 TIP3 10588 26.593 17.342 0.891 1.00 0.00 WAT +ATOM 38073 H1 TIP3 10588 27.022 17.017 1.708 1.00 0.00 WAT +ATOM 38074 H2 TIP3 10588 27.281 17.889 0.504 1.00 0.00 WAT +ATOM 38075 OH2 TIP3 10589 16.109 19.848 3.477 1.00 0.00 WAT +ATOM 38076 H1 TIP3 10589 16.442 19.167 4.071 1.00 0.00 WAT +ATOM 38077 H2 TIP3 10589 15.714 19.363 2.751 1.00 0.00 WAT +ATOM 38078 OH2 TIP3 10590 20.670 21.353 2.670 1.00 0.00 WAT +ATOM 38079 H1 TIP3 10590 21.383 20.807 3.058 1.00 0.00 WAT +ATOM 38080 H2 TIP3 10590 20.168 20.671 2.184 1.00 0.00 WAT +ATOM 38081 OH2 TIP3 10591 31.722 17.770 8.214 1.00 0.00 WAT +ATOM 38082 H1 TIP3 10591 31.117 18.473 7.913 1.00 0.00 WAT +ATOM 38083 H2 TIP3 10591 31.444 17.686 9.136 1.00 0.00 WAT +ATOM 38084 OH2 TIP3 10592 24.688 25.665 0.246 1.00 0.00 WAT +ATOM 38085 H1 TIP3 10592 24.691 25.540 -0.710 1.00 0.00 WAT +ATOM 38086 H2 TIP3 10592 24.454 26.601 0.343 1.00 0.00 WAT +ATOM 38087 OH2 TIP3 10593 20.362 23.891 6.983 1.00 0.00 WAT +ATOM 38088 H1 TIP3 10593 19.577 24.427 7.217 1.00 0.00 WAT +ATOM 38089 H2 TIP3 10593 20.917 24.530 6.506 1.00 0.00 WAT +ATOM 38090 OH2 TIP3 10594 28.342 16.595 3.057 1.00 0.00 WAT +ATOM 38091 H1 TIP3 10594 27.857 15.965 3.605 1.00 0.00 WAT +ATOM 38092 H2 TIP3 10594 28.722 17.213 3.705 1.00 0.00 WAT +ATOM 38093 OH2 TIP3 10595 18.270 25.769 7.556 1.00 0.00 WAT +ATOM 38094 H1 TIP3 10595 18.228 26.742 7.467 1.00 0.00 WAT +ATOM 38095 H2 TIP3 10595 17.447 25.602 8.056 1.00 0.00 WAT +ATOM 38096 OH2 TIP3 10596 14.567 25.424 -1.458 1.00 0.00 WAT +ATOM 38097 H1 TIP3 10596 14.313 25.901 -2.266 1.00 0.00 WAT +ATOM 38098 H2 TIP3 10596 14.705 26.142 -0.808 1.00 0.00 WAT +ATOM 38099 OH2 TIP3 10597 28.063 26.894 5.322 1.00 0.00 WAT +ATOM 38100 H1 TIP3 10597 27.094 27.008 5.351 1.00 0.00 WAT +ATOM 38101 H2 TIP3 10597 28.338 27.756 4.962 1.00 0.00 WAT +ATOM 38102 OH2 TIP3 10598 28.242 15.801 6.792 1.00 0.00 WAT +ATOM 38103 H1 TIP3 10598 27.531 16.379 6.481 1.00 0.00 WAT +ATOM 38104 H2 TIP3 10598 28.954 15.966 6.148 1.00 0.00 WAT +ATOM 38105 OH2 TIP3 10599 21.150 13.308 3.547 1.00 0.00 WAT +ATOM 38106 H1 TIP3 10599 21.297 12.499 4.039 1.00 0.00 WAT +ATOM 38107 H2 TIP3 10599 20.683 13.887 4.163 1.00 0.00 WAT +ATOM 38108 OH2 TIP3 10600 26.333 28.832 1.831 1.00 0.00 WAT +ATOM 38109 H1 TIP3 10600 26.848 28.037 1.576 1.00 0.00 WAT +ATOM 38110 H2 TIP3 10600 27.032 29.516 1.794 1.00 0.00 WAT +ATOM 38111 OH2 TIP3 10601 27.754 26.712 0.544 1.00 0.00 WAT +ATOM 38112 H1 TIP3 10601 27.402 26.202 -0.198 1.00 0.00 WAT +ATOM 38113 H2 TIP3 10601 27.746 26.047 1.263 1.00 0.00 WAT +ATOM 38114 OH2 TIP3 10602 29.367 25.524 9.004 1.00 0.00 WAT +ATOM 38115 H1 TIP3 10602 29.242 24.870 8.291 1.00 0.00 WAT +ATOM 38116 H2 TIP3 10602 29.476 26.353 8.502 1.00 0.00 WAT +ATOM 38117 OH2 TIP3 10603 23.551 22.619 -1.323 1.00 0.00 WAT +ATOM 38118 H1 TIP3 10603 22.886 22.846 -1.983 1.00 0.00 WAT +ATOM 38119 H2 TIP3 10603 24.341 22.482 -1.876 1.00 0.00 WAT +ATOM 38120 OH2 TIP3 10604 23.915 20.603 -4.242 1.00 0.00 WAT +ATOM 38121 H1 TIP3 10604 24.620 20.906 -3.641 1.00 0.00 WAT +ATOM 38122 H2 TIP3 10604 24.433 20.050 -4.846 1.00 0.00 WAT +ATOM 38123 OH2 TIP3 10605 31.124 21.703 6.947 1.00 0.00 WAT +ATOM 38124 H1 TIP3 10605 30.385 22.338 7.028 1.00 0.00 WAT +ATOM 38125 H2 TIP3 10605 31.585 22.055 6.160 1.00 0.00 WAT +ATOM 38126 OH2 TIP3 10606 27.132 22.441 -0.202 1.00 0.00 WAT +ATOM 38127 H1 TIP3 10606 26.442 22.612 0.478 1.00 0.00 WAT +ATOM 38128 H2 TIP3 10606 27.711 21.833 0.293 1.00 0.00 WAT +ATOM 38129 OH2 TIP3 10607 26.983 20.985 8.611 1.00 0.00 WAT +ATOM 38130 H1 TIP3 10607 26.994 21.818 9.111 1.00 0.00 WAT +ATOM 38131 H2 TIP3 10607 26.305 21.215 7.949 1.00 0.00 WAT +ATOM 38132 OH2 TIP3 10608 19.063 23.599 1.460 1.00 0.00 WAT +ATOM 38133 H1 TIP3 10608 18.545 23.110 0.793 1.00 0.00 WAT +ATOM 38134 H2 TIP3 10608 19.559 22.868 1.875 1.00 0.00 WAT +ATOM 38135 OH2 TIP3 10609 19.261 22.064 5.035 1.00 0.00 WAT +ATOM 38136 H1 TIP3 10609 19.889 21.979 4.295 1.00 0.00 WAT +ATOM 38137 H2 TIP3 10609 19.746 22.606 5.680 1.00 0.00 WAT +ATOM 38138 OH2 TIP3 10610 25.216 27.522 5.615 1.00 0.00 WAT +ATOM 38139 H1 TIP3 10610 25.278 28.180 6.329 1.00 0.00 WAT +ATOM 38140 H2 TIP3 10610 25.027 26.693 6.092 1.00 0.00 WAT +ATOM 38141 OH2 TIP3 10611 20.162 26.348 9.864 1.00 0.00 WAT +ATOM 38142 H1 TIP3 10611 19.646 26.978 10.398 1.00 0.00 WAT +ATOM 38143 H2 TIP3 10611 19.497 26.045 9.223 1.00 0.00 WAT +ATOM 38144 OH2 TIP3 10612 26.046 21.898 -2.756 1.00 0.00 WAT +ATOM 38145 H1 TIP3 10612 26.545 22.138 -1.948 1.00 0.00 WAT +ATOM 38146 H2 TIP3 10612 26.558 22.383 -3.449 1.00 0.00 WAT +ATOM 38147 OH2 TIP3 10613 17.077 22.800 8.965 1.00 0.00 WAT +ATOM 38148 H1 TIP3 10613 17.097 23.267 9.817 1.00 0.00 WAT +ATOM 38149 H2 TIP3 10613 16.131 22.586 8.884 1.00 0.00 WAT +ATOM 38150 OH2 TIP3 10614 23.316 28.436 0.955 1.00 0.00 WAT +ATOM 38151 H1 TIP3 10614 24.037 28.735 1.530 1.00 0.00 WAT +ATOM 38152 H2 TIP3 10614 23.064 29.257 0.499 1.00 0.00 WAT +ATOM 38153 OH2 TIP3 10615 18.239 28.517 10.705 1.00 0.00 WAT +ATOM 38154 H1 TIP3 10615 18.109 28.513 9.743 1.00 0.00 WAT +ATOM 38155 H2 TIP3 10615 17.366 28.240 11.047 1.00 0.00 WAT +ATOM 38156 OH2 TIP3 10616 29.273 13.675 -3.352 1.00 0.00 WAT +ATOM 38157 H1 TIP3 10616 28.596 13.685 -2.667 1.00 0.00 WAT +ATOM 38158 H2 TIP3 10616 29.788 14.464 -3.145 1.00 0.00 WAT +ATOM 38159 OH2 TIP3 10617 17.657 21.941 -0.783 1.00 0.00 WAT +ATOM 38160 H1 TIP3 10617 17.421 22.612 -1.443 1.00 0.00 WAT +ATOM 38161 H2 TIP3 10617 17.071 21.208 -1.024 1.00 0.00 WAT +ATOM 38162 OH2 TIP3 10618 30.884 27.736 -4.672 1.00 0.00 WAT +ATOM 38163 H1 TIP3 10618 31.055 28.683 -4.496 1.00 0.00 WAT +ATOM 38164 H2 TIP3 10618 31.767 27.346 -4.526 1.00 0.00 WAT +ATOM 38165 OH2 TIP3 10619 13.717 24.597 7.784 1.00 0.00 WAT +ATOM 38166 H1 TIP3 10619 13.229 24.567 6.937 1.00 0.00 WAT +ATOM 38167 H2 TIP3 10619 13.835 23.642 7.960 1.00 0.00 WAT +ATOM 38168 OH2 TIP3 10620 13.752 27.596 4.714 1.00 0.00 WAT +ATOM 38169 H1 TIP3 10620 14.636 27.229 4.838 1.00 0.00 WAT +ATOM 38170 H2 TIP3 10620 13.656 28.143 5.505 1.00 0.00 WAT +ATOM 38171 OH2 TIP3 10621 32.145 28.146 10.524 1.00 0.00 WAT +ATOM 38172 H1 TIP3 10621 32.034 27.197 10.333 1.00 0.00 WAT +ATOM 38173 H2 TIP3 10621 31.234 28.383 10.805 1.00 0.00 WAT +ATOM 38174 OH2 TIP3 10622 22.782 27.390 9.301 1.00 0.00 WAT +ATOM 38175 H1 TIP3 10622 22.868 28.196 9.849 1.00 0.00 WAT +ATOM 38176 H2 TIP3 10622 21.891 27.072 9.555 1.00 0.00 WAT +ATOM 38177 OH2 TIP3 10623 23.085 31.155 -0.698 1.00 0.00 WAT +ATOM 38178 H1 TIP3 10623 23.084 31.257 -1.668 1.00 0.00 WAT +ATOM 38179 H2 TIP3 10623 23.110 32.077 -0.392 1.00 0.00 WAT +ATOM 38180 OH2 TIP3 10624 16.849 30.343 0.893 1.00 0.00 WAT +ATOM 38181 H1 TIP3 10624 17.017 29.858 1.726 1.00 0.00 WAT +ATOM 38182 H2 TIP3 10624 16.027 29.927 0.597 1.00 0.00 WAT +ATOM 38183 OH2 TIP3 10625 26.386 30.611 -3.526 1.00 0.00 WAT +ATOM 38184 H1 TIP3 10625 26.969 29.973 -3.984 1.00 0.00 WAT +ATOM 38185 H2 TIP3 10625 26.337 30.217 -2.632 1.00 0.00 WAT +ATOM 38186 OH2 TIP3 10626 25.772 30.012 -0.751 1.00 0.00 WAT +ATOM 38187 H1 TIP3 10626 24.833 30.196 -0.581 1.00 0.00 WAT +ATOM 38188 H2 TIP3 10626 25.975 29.363 -0.054 1.00 0.00 WAT +ATOM 38189 OH2 TIP3 10627 28.958 19.514 10.912 1.00 0.00 WAT +ATOM 38190 H1 TIP3 10627 28.382 19.892 10.230 1.00 0.00 WAT +ATOM 38191 H2 TIP3 10627 28.950 18.573 10.659 1.00 0.00 WAT +ATOM 38192 OH2 TIP3 10628 15.893 26.163 9.040 1.00 0.00 WAT +ATOM 38193 H1 TIP3 10628 16.169 25.703 9.861 1.00 0.00 WAT +ATOM 38194 H2 TIP3 10628 15.163 25.600 8.721 1.00 0.00 WAT +ATOM 38195 OH2 TIP3 10629 18.686 14.712 4.740 1.00 0.00 WAT +ATOM 38196 H1 TIP3 10629 17.800 14.388 4.565 1.00 0.00 WAT +ATOM 38197 H2 TIP3 10629 18.560 15.368 5.434 1.00 0.00 WAT +ATOM 38198 OH2 TIP3 10630 23.513 14.204 8.541 1.00 0.00 WAT +ATOM 38199 H1 TIP3 10630 23.937 13.533 9.114 1.00 0.00 WAT +ATOM 38200 H2 TIP3 10630 22.571 13.957 8.560 1.00 0.00 WAT +ATOM 38201 OH2 TIP3 10631 26.744 18.045 9.134 1.00 0.00 WAT +ATOM 38202 H1 TIP3 10631 25.989 17.826 9.717 1.00 0.00 WAT +ATOM 38203 H2 TIP3 10631 26.518 18.938 8.827 1.00 0.00 WAT +ATOM 38204 OH2 TIP3 10632 27.636 22.938 -4.790 1.00 0.00 WAT +ATOM 38205 H1 TIP3 10632 27.489 22.750 -5.738 1.00 0.00 WAT +ATOM 38206 H2 TIP3 10632 28.571 23.197 -4.830 1.00 0.00 WAT +ATOM 38207 OH2 TIP3 10633 22.851 16.507 -4.603 1.00 0.00 WAT +ATOM 38208 H1 TIP3 10633 22.661 16.646 -3.662 1.00 0.00 WAT +ATOM 38209 H2 TIP3 10633 22.775 15.550 -4.658 1.00 0.00 WAT +ATOM 38210 OH2 TIP3 10634 18.661 19.053 6.072 1.00 0.00 WAT +ATOM 38211 H1 TIP3 10634 18.025 19.229 6.787 1.00 0.00 WAT +ATOM 38212 H2 TIP3 10634 18.698 19.912 5.620 1.00 0.00 WAT +ATOM 38213 OH2 TIP3 10635 19.032 19.357 1.131 1.00 0.00 WAT +ATOM 38214 H1 TIP3 10635 18.074 19.435 0.983 1.00 0.00 WAT +ATOM 38215 H2 TIP3 10635 19.345 19.182 0.222 1.00 0.00 WAT +ATOM 38216 OH2 TIP3 10636 24.597 20.166 -0.082 1.00 0.00 WAT +ATOM 38217 H1 TIP3 10636 24.033 20.824 -0.518 1.00 0.00 WAT +ATOM 38218 H2 TIP3 10636 25.135 19.821 -0.810 1.00 0.00 WAT +ATOM 38219 OH2 TIP3 10637 23.679 20.272 11.248 1.00 0.00 WAT +ATOM 38220 H1 TIP3 10637 23.172 19.498 11.570 1.00 0.00 WAT +ATOM 38221 H2 TIP3 10637 24.558 20.107 11.635 1.00 0.00 WAT +ATOM 38222 OH2 TIP3 10638 25.489 19.657 2.636 1.00 0.00 WAT +ATOM 38223 H1 TIP3 10638 25.093 20.042 1.828 1.00 0.00 WAT +ATOM 38224 H2 TIP3 10638 25.371 18.705 2.449 1.00 0.00 WAT +ATOM 38225 OH2 TIP3 10639 16.292 19.389 8.052 1.00 0.00 WAT +ATOM 38226 H1 TIP3 10639 16.429 19.666 8.966 1.00 0.00 WAT +ATOM 38227 H2 TIP3 10639 15.643 18.672 8.138 1.00 0.00 WAT +ATOM 38228 OH2 TIP3 10640 14.296 17.422 -2.595 1.00 0.00 WAT +ATOM 38229 H1 TIP3 10640 14.993 17.953 -2.991 1.00 0.00 WAT +ATOM 38230 H2 TIP3 10640 13.754 18.064 -2.108 1.00 0.00 WAT +ATOM 38231 OH2 TIP3 10641 24.516 21.086 7.102 1.00 0.00 WAT +ATOM 38232 H1 TIP3 10641 24.936 20.351 6.601 1.00 0.00 WAT +ATOM 38233 H2 TIP3 10641 24.114 20.603 7.840 1.00 0.00 WAT +ATOM 38234 OH2 TIP3 10642 21.103 16.852 2.170 1.00 0.00 WAT +ATOM 38235 H1 TIP3 10642 20.603 17.287 2.866 1.00 0.00 WAT +ATOM 38236 H2 TIP3 10642 21.945 16.674 2.654 1.00 0.00 WAT +ATOM 38237 OH2 TIP3 10643 16.292 18.540 0.420 1.00 0.00 WAT +ATOM 38238 H1 TIP3 10643 15.442 19.024 0.231 1.00 0.00 WAT +ATOM 38239 H2 TIP3 10643 16.044 17.689 0.052 1.00 0.00 WAT +ATOM 38240 OH2 TIP3 10644 19.741 18.492 -1.423 1.00 0.00 WAT +ATOM 38241 H1 TIP3 10644 20.711 18.614 -1.372 1.00 0.00 WAT +ATOM 38242 H2 TIP3 10644 19.477 19.026 -2.198 1.00 0.00 WAT +ATOM 38243 OH2 TIP3 10645 18.431 19.932 -3.691 1.00 0.00 WAT +ATOM 38244 H1 TIP3 10645 17.741 19.603 -4.296 1.00 0.00 WAT +ATOM 38245 H2 TIP3 10645 19.161 20.111 -4.307 1.00 0.00 WAT +ATOM 38246 OH2 TIP3 10646 29.056 32.000 11.822 1.00 0.00 WAT +ATOM 38247 H1 TIP3 10646 29.274 32.453 10.990 1.00 0.00 WAT +ATOM 38248 H2 TIP3 10646 29.760 32.315 12.412 1.00 0.00 WAT +ATOM 38249 OH2 TIP3 10647 16.972 24.671 11.258 1.00 0.00 WAT +ATOM 38250 H1 TIP3 10647 17.640 24.715 11.975 1.00 0.00 WAT +ATOM 38251 H2 TIP3 10647 16.161 24.588 11.797 1.00 0.00 WAT +ATOM 38252 OH2 TIP3 10648 22.672 19.587 4.009 1.00 0.00 WAT +ATOM 38253 H1 TIP3 10648 23.303 18.991 3.555 1.00 0.00 WAT +ATOM 38254 H2 TIP3 10648 22.449 18.960 4.723 1.00 0.00 WAT +ATOM 38255 OH2 TIP3 10649 21.393 18.081 6.354 1.00 0.00 WAT +ATOM 38256 H1 TIP3 10649 20.655 18.709 6.353 1.00 0.00 WAT +ATOM 38257 H2 TIP3 10649 21.974 18.397 7.073 1.00 0.00 WAT +ATOM 38258 OH2 TIP3 10650 21.388 24.698 -1.496 1.00 0.00 WAT +ATOM 38259 H1 TIP3 10650 20.871 24.066 -2.044 1.00 0.00 WAT +ATOM 38260 H2 TIP3 10650 21.712 24.123 -0.789 1.00 0.00 WAT +ATOM 38261 OH2 TIP3 10651 29.017 23.637 6.843 1.00 0.00 WAT +ATOM 38262 H1 TIP3 10651 29.503 24.180 6.186 1.00 0.00 WAT +ATOM 38263 H2 TIP3 10651 28.158 23.512 6.392 1.00 0.00 WAT +ATOM 38264 OH2 TIP3 10652 25.886 17.249 -4.237 1.00 0.00 WAT +ATOM 38265 H1 TIP3 10652 24.921 17.229 -4.140 1.00 0.00 WAT +ATOM 38266 H2 TIP3 10652 26.137 17.949 -3.597 1.00 0.00 WAT +ATOM 38267 OH2 TIP3 10653 23.439 24.495 9.427 1.00 0.00 WAT +ATOM 38268 H1 TIP3 10653 23.137 24.143 10.277 1.00 0.00 WAT +ATOM 38269 H2 TIP3 10653 23.120 25.408 9.450 1.00 0.00 WAT +ATOM 38270 OH2 TIP3 10654 26.703 19.101 -2.234 1.00 0.00 WAT +ATOM 38271 H1 TIP3 10654 27.531 18.975 -1.735 1.00 0.00 WAT +ATOM 38272 H2 TIP3 10654 26.781 20.012 -2.560 1.00 0.00 WAT +ATOM 38273 OH2 TIP3 10655 17.000 23.803 3.840 1.00 0.00 WAT +ATOM 38274 H1 TIP3 10655 17.577 23.606 3.092 1.00 0.00 WAT +ATOM 38275 H2 TIP3 10655 16.944 22.931 4.271 1.00 0.00 WAT +ATOM 38276 OH2 TIP3 10656 24.194 25.835 -2.917 1.00 0.00 WAT +ATOM 38277 H1 TIP3 10656 23.892 26.706 -2.589 1.00 0.00 WAT +ATOM 38278 H2 TIP3 10656 23.446 25.272 -2.680 1.00 0.00 WAT +ATOM 38279 OH2 TIP3 10657 14.182 22.137 9.184 1.00 0.00 WAT +ATOM 38280 H1 TIP3 10657 14.285 21.623 10.006 1.00 0.00 WAT +ATOM 38281 H2 TIP3 10657 13.535 21.614 8.662 1.00 0.00 WAT +ATOM 38282 OH2 TIP3 10658 21.133 21.643 11.107 1.00 0.00 WAT +ATOM 38283 H1 TIP3 10658 20.853 21.392 10.209 1.00 0.00 WAT +ATOM 38284 H2 TIP3 10658 22.055 21.329 11.090 1.00 0.00 WAT +ATOM 38285 OH2 TIP3 10659 25.701 27.108 8.886 1.00 0.00 WAT +ATOM 38286 H1 TIP3 10659 24.731 27.152 8.837 1.00 0.00 WAT +ATOM 38287 H2 TIP3 10659 25.862 27.317 9.820 1.00 0.00 WAT +ATOM 38288 OH2 TIP3 10660 31.665 19.019 -2.641 1.00 0.00 WAT +ATOM 38289 H1 TIP3 10660 30.912 18.829 -3.236 1.00 0.00 WAT +ATOM 38290 H2 TIP3 10660 31.541 19.986 -2.558 1.00 0.00 WAT +ATOM 38291 OH2 TIP3 10661 31.682 25.168 10.474 1.00 0.00 WAT +ATOM 38292 H1 TIP3 10661 30.742 25.378 10.285 1.00 0.00 WAT +ATOM 38293 H2 TIP3 10661 32.009 24.984 9.572 1.00 0.00 WAT +ATOM 38294 OH2 TIP3 10662 29.399 27.721 -2.233 1.00 0.00 WAT +ATOM 38295 H1 TIP3 10662 29.255 26.918 -1.714 1.00 0.00 WAT +ATOM 38296 H2 TIP3 10662 29.956 27.414 -2.965 1.00 0.00 WAT +ATOM 38297 OH2 TIP3 10663 26.674 23.078 5.135 1.00 0.00 WAT +ATOM 38298 H1 TIP3 10663 25.742 22.901 4.913 1.00 0.00 WAT +ATOM 38299 H2 TIP3 10663 27.114 22.343 4.661 1.00 0.00 WAT +ATOM 38300 OH2 TIP3 10664 15.272 22.038 -4.185 1.00 0.00 WAT +ATOM 38301 H1 TIP3 10664 15.808 22.711 -3.734 1.00 0.00 WAT +ATOM 38302 H2 TIP3 10664 14.383 22.184 -3.797 1.00 0.00 WAT +ATOM 38303 OH2 TIP3 10665 21.316 29.101 7.130 1.00 0.00 WAT +ATOM 38304 H1 TIP3 10665 21.880 29.867 6.923 1.00 0.00 WAT +ATOM 38305 H2 TIP3 10665 21.895 28.604 7.734 1.00 0.00 WAT +ATOM 38306 OH2 TIP3 10666 19.791 29.689 0.602 1.00 0.00 WAT +ATOM 38307 H1 TIP3 10666 18.844 29.900 0.557 1.00 0.00 WAT +ATOM 38308 H2 TIP3 10666 20.172 30.573 0.748 1.00 0.00 WAT +ATOM 38309 OH2 TIP3 10667 24.700 24.880 6.726 1.00 0.00 WAT +ATOM 38310 H1 TIP3 10667 24.393 24.571 7.598 1.00 0.00 WAT +ATOM 38311 H2 TIP3 10667 25.400 24.238 6.524 1.00 0.00 WAT +ATOM 38312 OH2 TIP3 10668 26.859 26.154 -4.330 1.00 0.00 WAT +ATOM 38313 H1 TIP3 10668 27.301 25.718 -3.581 1.00 0.00 WAT +ATOM 38314 H2 TIP3 10668 25.935 25.996 -4.075 1.00 0.00 WAT +ATOM 38315 OH2 TIP3 10669 27.662 29.418 9.125 1.00 0.00 WAT +ATOM 38316 H1 TIP3 10669 26.902 28.955 8.719 1.00 0.00 WAT +ATOM 38317 H2 TIP3 10669 27.750 30.211 8.564 1.00 0.00 WAT +ATOM 38318 OH2 TIP3 10670 31.611 30.419 -3.796 1.00 0.00 WAT +ATOM 38319 H1 TIP3 10670 32.317 31.041 -4.042 1.00 0.00 WAT +ATOM 38320 H2 TIP3 10670 30.850 31.027 -3.834 1.00 0.00 WAT +ATOM 38321 OH2 TIP3 10671 27.838 24.791 -1.905 1.00 0.00 WAT +ATOM 38322 H1 TIP3 10671 27.590 24.024 -1.360 1.00 0.00 WAT +ATOM 38323 H2 TIP3 10671 28.811 24.736 -1.888 1.00 0.00 WAT +ATOM 38324 OH2 TIP3 10672 15.321 28.515 7.202 1.00 0.00 WAT +ATOM 38325 H1 TIP3 10672 15.524 27.602 7.458 1.00 0.00 WAT +ATOM 38326 H2 TIP3 10672 15.456 28.962 8.047 1.00 0.00 WAT +ATOM 38327 OH2 TIP3 10673 21.125 27.214 -5.779 1.00 0.00 WAT +ATOM 38328 H1 TIP3 10673 21.400 26.427 -6.284 1.00 0.00 WAT +ATOM 38329 H2 TIP3 10673 20.685 26.805 -5.013 1.00 0.00 WAT +ATOM 38330 OH2 TIP3 10674 20.024 26.727 -3.091 1.00 0.00 WAT +ATOM 38331 H1 TIP3 10674 20.485 26.170 -2.441 1.00 0.00 WAT +ATOM 38332 H2 TIP3 10674 20.157 27.634 -2.746 1.00 0.00 WAT +ATOM 38333 OH2 TIP3 10675 16.821 24.176 -2.624 1.00 0.00 WAT +ATOM 38334 H1 TIP3 10675 16.059 24.526 -2.122 1.00 0.00 WAT +ATOM 38335 H2 TIP3 10675 17.225 24.998 -2.947 1.00 0.00 WAT +ATOM 38336 OH2 TIP3 10676 24.444 16.939 7.584 1.00 0.00 WAT +ATOM 38337 H1 TIP3 10676 25.249 16.729 8.064 1.00 0.00 WAT +ATOM 38338 H2 TIP3 10676 24.044 16.063 7.455 1.00 0.00 WAT +ATOM 38339 OH2 TIP3 10677 24.901 16.681 -1.481 1.00 0.00 WAT +ATOM 38340 H1 TIP3 10677 25.633 16.692 -2.103 1.00 0.00 WAT +ATOM 38341 H2 TIP3 10677 25.361 16.687 -0.623 1.00 0.00 WAT +ATOM 38342 OH2 TIP3 10678 22.916 28.358 -2.393 1.00 0.00 WAT +ATOM 38343 H1 TIP3 10678 22.081 28.848 -2.295 1.00 0.00 WAT +ATOM 38344 H2 TIP3 10678 23.292 28.788 -3.177 1.00 0.00 WAT +ATOM 38345 OH2 TIP3 10679 22.318 18.162 -0.368 1.00 0.00 WAT +ATOM 38346 H1 TIP3 10679 23.257 18.402 -0.295 1.00 0.00 WAT +ATOM 38347 H2 TIP3 10679 22.158 17.777 0.511 1.00 0.00 WAT +ATOM 38348 OH2 TIP3 10680 22.874 18.986 8.703 1.00 0.00 WAT +ATOM 38349 H1 TIP3 10680 23.065 19.385 9.565 1.00 0.00 WAT +ATOM 38350 H2 TIP3 10680 23.434 18.184 8.699 1.00 0.00 WAT +ATOM 38351 OH2 TIP3 10681 20.130 29.419 -2.388 1.00 0.00 WAT +ATOM 38352 H1 TIP3 10681 20.044 30.203 -2.972 1.00 0.00 WAT +ATOM 38353 H2 TIP3 10681 19.967 29.804 -1.514 1.00 0.00 WAT +ATOM 38354 OH2 TIP3 10682 29.196 16.948 9.576 1.00 0.00 WAT +ATOM 38355 H1 TIP3 10682 28.239 17.148 9.478 1.00 0.00 WAT +ATOM 38356 H2 TIP3 10682 29.396 16.762 8.648 1.00 0.00 WAT +ATOM 38357 OH2 TIP3 10683 27.736 20.859 3.636 1.00 0.00 WAT +ATOM 38358 H1 TIP3 10683 26.885 20.457 3.343 1.00 0.00 WAT +ATOM 38359 H2 TIP3 10683 28.150 20.105 4.105 1.00 0.00 WAT +ATOM 38360 OH2 TIP3 10684 17.250 26.937 -3.886 1.00 0.00 WAT +ATOM 38361 H1 TIP3 10684 17.988 27.460 -3.531 1.00 0.00 WAT +ATOM 38362 H2 TIP3 10684 17.723 26.449 -4.578 1.00 0.00 WAT +ATOM 38363 OH2 TIP3 10685 15.642 19.344 -4.810 1.00 0.00 WAT +ATOM 38364 H1 TIP3 10685 15.521 20.226 -4.411 1.00 0.00 WAT +ATOM 38365 H2 TIP3 10685 14.738 19.023 -4.887 1.00 0.00 WAT +ATOM 38366 OH2 TIP3 10686 28.686 29.678 5.006 1.00 0.00 WAT +ATOM 38367 H1 TIP3 10686 28.527 30.503 4.508 1.00 0.00 WAT +ATOM 38368 H2 TIP3 10686 29.612 29.812 5.265 1.00 0.00 WAT +ATOM 38369 OH2 TIP3 10687 15.191 27.652 0.276 1.00 0.00 WAT +ATOM 38370 H1 TIP3 10687 14.415 28.170 0.523 1.00 0.00 WAT +ATOM 38371 H2 TIP3 10687 15.570 28.186 -0.438 1.00 0.00 WAT +ATOM 38372 OH2 TIP3 10688 14.599 30.585 11.421 1.00 0.00 WAT +ATOM 38373 H1 TIP3 10688 15.183 30.303 12.152 1.00 0.00 WAT +ATOM 38374 H2 TIP3 10688 14.213 29.729 11.148 1.00 0.00 WAT +ATOM 38375 OH2 TIP3 10689 19.294 29.666 13.203 1.00 0.00 WAT +ATOM 38376 H1 TIP3 10689 19.974 29.015 13.432 1.00 0.00 WAT +ATOM 38377 H2 TIP3 10689 19.061 29.384 12.303 1.00 0.00 WAT +ATOM 38378 OH2 TIP3 10690 23.347 28.886 -5.233 1.00 0.00 WAT +ATOM 38379 H1 TIP3 10690 22.597 28.271 -5.390 1.00 0.00 WAT +ATOM 38380 H2 TIP3 10690 24.068 28.389 -5.655 1.00 0.00 WAT +ATOM 38381 OH2 TIP3 10691 25.770 27.913 11.786 1.00 0.00 WAT +ATOM 38382 H1 TIP3 10691 25.374 27.106 12.161 1.00 0.00 WAT +ATOM 38383 H2 TIP3 10691 26.453 28.134 12.443 1.00 0.00 WAT +ATOM 38384 OH2 TIP3 10692 27.973 28.825 -5.167 1.00 0.00 WAT +ATOM 38385 H1 TIP3 10692 28.148 28.008 -4.672 1.00 0.00 WAT +ATOM 38386 H2 TIP3 10692 28.750 28.873 -5.755 1.00 0.00 WAT +ATOM 38387 OH2 TIP3 10693 14.561 24.229 12.542 1.00 0.00 WAT +ATOM 38388 H1 TIP3 10693 14.648 23.313 12.228 1.00 0.00 WAT +ATOM 38389 H2 TIP3 10693 13.786 24.522 12.026 1.00 0.00 WAT +ATOM 38390 OH2 TIP3 10694 18.767 24.662 -5.428 1.00 0.00 WAT +ATOM 38391 H1 TIP3 10694 18.897 24.024 -4.710 1.00 0.00 WAT +ATOM 38392 H2 TIP3 10694 19.616 24.585 -5.904 1.00 0.00 WAT +ATOM 38393 OH2 TIP3 10695 21.194 24.400 11.879 1.00 0.00 WAT +ATOM 38394 H1 TIP3 10695 20.877 24.713 11.018 1.00 0.00 WAT +ATOM 38395 H2 TIP3 10695 21.251 23.431 11.741 1.00 0.00 WAT +ATOM 38396 OH2 TIP3 10696 23.984 25.962 -5.822 1.00 0.00 WAT +ATOM 38397 H1 TIP3 10696 23.975 25.909 -4.854 1.00 0.00 WAT +ATOM 38398 H2 TIP3 10696 23.962 25.008 -6.050 1.00 0.00 WAT +ATOM 38399 OH2 TIP3 10697 26.549 24.022 9.282 1.00 0.00 WAT +ATOM 38400 H1 TIP3 10697 27.325 24.563 9.074 1.00 0.00 WAT +ATOM 38401 H2 TIP3 10697 25.840 24.684 9.254 1.00 0.00 WAT +ATOM 38402 OH2 TIP3 10698 15.455 21.381 11.682 1.00 0.00 WAT +ATOM 38403 H1 TIP3 10698 16.178 20.731 11.702 1.00 0.00 WAT +ATOM 38404 H2 TIP3 10698 15.334 21.540 12.631 1.00 0.00 WAT +ATOM 38405 OH2 TIP3 10699 19.953 22.731 -2.981 1.00 0.00 WAT +ATOM 38406 H1 TIP3 10699 19.271 22.218 -2.521 1.00 0.00 WAT +ATOM 38407 H2 TIP3 10699 20.197 22.095 -3.689 1.00 0.00 WAT +ATOM 38408 OH2 TIP3 10700 19.120 20.396 8.974 1.00 0.00 WAT +ATOM 38409 H1 TIP3 10700 18.578 21.144 9.271 1.00 0.00 WAT +ATOM 38410 H2 TIP3 10700 19.778 20.839 8.407 1.00 0.00 WAT +ATOM 38411 OH2 TIP3 10701 20.860 20.844 -4.823 1.00 0.00 WAT +ATOM 38412 H1 TIP3 10701 20.775 20.747 -5.788 1.00 0.00 WAT +ATOM 38413 H2 TIP3 10701 21.822 20.753 -4.698 1.00 0.00 WAT +ATOM 38414 OH2 TIP3 10702 24.385 23.196 12.717 1.00 0.00 WAT +ATOM 38415 H1 TIP3 10702 25.275 22.986 12.401 1.00 0.00 WAT +ATOM 38416 H2 TIP3 10702 24.111 22.350 13.099 1.00 0.00 WAT +ATOM 38417 OH2 TIP3 10703 30.324 23.115 -5.687 1.00 0.00 WAT +ATOM 38418 H1 TIP3 10703 30.353 22.769 -6.591 1.00 0.00 WAT +ATOM 38419 H2 TIP3 10703 30.283 24.077 -5.865 1.00 0.00 WAT +ATOM 38420 OH2 TIP3 10704 19.668 17.784 10.263 1.00 0.00 WAT +ATOM 38421 H1 TIP3 10704 19.678 17.093 9.581 1.00 0.00 WAT +ATOM 38422 H2 TIP3 10704 19.484 18.580 9.729 1.00 0.00 WAT +ATOM 38423 OH2 TIP3 10705 19.697 16.202 7.503 1.00 0.00 WAT +ATOM 38424 H1 TIP3 10705 20.412 16.722 7.073 1.00 0.00 WAT +ATOM 38425 H2 TIP3 10705 18.919 16.629 7.133 1.00 0.00 WAT +ATOM 38426 OH2 TIP3 10706 21.544 21.689 8.152 1.00 0.00 WAT +ATOM 38427 H1 TIP3 10706 22.369 21.550 7.666 1.00 0.00 WAT +ATOM 38428 H2 TIP3 10706 21.276 22.576 7.841 1.00 0.00 WAT +ATOM 38429 OH2 TIP3 10707 26.123 19.635 12.952 1.00 0.00 WAT +ATOM 38430 H1 TIP3 10707 26.324 18.690 13.021 1.00 0.00 WAT +ATOM 38431 H2 TIP3 10707 27.009 20.018 12.874 1.00 0.00 WAT +ATOM 38432 OH2 TIP3 10708 27.105 22.424 11.430 1.00 0.00 WAT +ATOM 38433 H1 TIP3 10708 26.742 23.021 10.742 1.00 0.00 WAT +ATOM 38434 H2 TIP3 10708 27.984 22.248 11.040 1.00 0.00 WAT +ATOM 38435 OH2 TIP3 10709 17.886 19.617 12.031 1.00 0.00 WAT +ATOM 38436 H1 TIP3 10709 17.304 18.839 12.054 1.00 0.00 WAT +ATOM 38437 H2 TIP3 10709 18.689 19.254 11.625 1.00 0.00 WAT +ATOM 38438 OH2 TIP3 10710 20.746 13.635 8.179 1.00 0.00 WAT +ATOM 38439 H1 TIP3 10710 20.433 14.535 7.952 1.00 0.00 WAT +ATOM 38440 H2 TIP3 10710 20.081 13.095 7.694 1.00 0.00 WAT +ATOM 38441 OH2 TIP3 10711 21.979 18.162 11.894 1.00 0.00 WAT +ATOM 38442 H1 TIP3 10711 21.611 17.918 12.762 1.00 0.00 WAT +ATOM 38443 H2 TIP3 10711 21.207 17.958 11.327 1.00 0.00 WAT +ATOM 38444 OH2 TIP3 10712 24.580 17.242 10.804 1.00 0.00 WAT +ATOM 38445 H1 TIP3 10712 23.653 17.230 11.101 1.00 0.00 WAT +ATOM 38446 H2 TIP3 10712 24.976 16.536 11.341 1.00 0.00 WAT +ATOM 38447 OH2 TIP3 10713 26.472 15.675 12.517 1.00 0.00 WAT +ATOM 38448 H1 TIP3 10713 26.210 14.738 12.612 1.00 0.00 WAT +ATOM 38449 H2 TIP3 10713 26.173 16.080 13.352 1.00 0.00 WAT +ATOM 38450 OH2 TIP3 10714 16.389 17.050 11.783 1.00 0.00 WAT +ATOM 38451 H1 TIP3 10714 16.381 16.269 11.211 1.00 0.00 WAT +ATOM 38452 H2 TIP3 10714 16.277 16.645 12.668 1.00 0.00 WAT +ATOM 38453 OH2 TIP3 10715 20.908 12.773 10.966 1.00 0.00 WAT +ATOM 38454 H1 TIP3 10715 21.677 12.189 10.954 1.00 0.00 WAT +ATOM 38455 H2 TIP3 10715 20.773 12.950 10.015 1.00 0.00 WAT +ATOM 38456 OH2 TIP3 10716 21.494 14.904 12.755 1.00 0.00 WAT +ATOM 38457 H1 TIP3 10716 21.258 14.257 12.060 1.00 0.00 WAT +ATOM 38458 H2 TIP3 10716 20.754 15.528 12.726 1.00 0.00 WAT +ATOM 38459 OH2 TIP3 10717 20.582 31.945 -3.737 1.00 0.00 WAT +ATOM 38460 H1 TIP3 10717 21.537 32.071 -3.643 1.00 0.00 WAT +ATOM 38461 H2 TIP3 10717 20.422 32.414 -4.567 1.00 0.00 WAT +ATOM 38462 OH2 TIP3 10718 14.475 26.373 -4.250 1.00 0.00 WAT +ATOM 38463 H1 TIP3 10718 15.427 26.538 -4.085 1.00 0.00 WAT +ATOM 38464 H2 TIP3 10718 14.501 25.570 -4.811 1.00 0.00 WAT +ATOM 38465 OH2 TIP3 10719 13.465 31.565 0.524 1.00 0.00 WAT +ATOM 38466 H1 TIP3 10719 12.751 31.182 -0.023 1.00 0.00 WAT +ATOM 38467 H2 TIP3 10719 13.577 30.874 1.208 1.00 0.00 WAT +ATOM 38468 OH2 TIP3 10720 13.865 29.579 2.501 1.00 0.00 WAT +ATOM 38469 H1 TIP3 10720 13.569 28.708 2.816 1.00 0.00 WAT +ATOM 38470 H2 TIP3 10720 14.190 29.938 3.342 1.00 0.00 WAT +ATOM 38471 OH2 TIP3 10721 31.404 30.850 5.524 1.00 0.00 WAT +ATOM 38472 H1 TIP3 10721 31.582 30.821 6.476 1.00 0.00 WAT +ATOM 38473 H2 TIP3 10721 32.258 31.142 5.176 1.00 0.00 WAT +ATOM 38474 OH2 TIP3 10722 31.311 30.291 8.398 1.00 0.00 WAT +ATOM 38475 H1 TIP3 10722 30.795 29.546 8.036 1.00 0.00 WAT +ATOM 38476 H2 TIP3 10722 31.867 29.820 9.036 1.00 0.00 WAT +ATOM 38477 OH2 TIP3 10723 29.313 25.717 12.687 1.00 0.00 WAT +ATOM 38478 H1 TIP3 10723 28.425 25.790 13.078 1.00 0.00 WAT +ATOM 38479 H2 TIP3 10723 29.756 26.524 12.998 1.00 0.00 WAT +ATOM 38480 OH2 TIP3 10724 30.693 24.614 -1.585 1.00 0.00 WAT +ATOM 38481 H1 TIP3 10724 31.599 24.951 -1.445 1.00 0.00 WAT +ATOM 38482 H2 TIP3 10724 30.636 23.971 -0.854 1.00 0.00 WAT +ATOM 38483 OH2 TIP3 10725 31.156 22.575 0.389 1.00 0.00 WAT +ATOM 38484 H1 TIP3 10725 30.482 22.022 0.832 1.00 0.00 WAT +ATOM 38485 H2 TIP3 10725 31.836 22.700 1.080 1.00 0.00 WAT +ATOM 38486 OH2 TIP3 10726 30.896 25.083 5.377 1.00 0.00 WAT +ATOM 38487 H1 TIP3 10726 31.511 24.590 4.813 1.00 0.00 WAT +ATOM 38488 H2 TIP3 10726 31.032 25.996 5.073 1.00 0.00 WAT +ATOM 38489 OH2 TIP3 10727 29.613 28.003 7.614 1.00 0.00 WAT +ATOM 38490 H1 TIP3 10727 28.879 28.396 8.119 1.00 0.00 WAT +ATOM 38491 H2 TIP3 10727 29.151 27.632 6.837 1.00 0.00 WAT +ATOM 38492 OH2 TIP3 10728 31.424 21.929 -3.011 1.00 0.00 WAT +ATOM 38493 H1 TIP3 10728 30.882 22.185 -3.778 1.00 0.00 WAT +ATOM 38494 H2 TIP3 10728 31.317 22.704 -2.437 1.00 0.00 WAT +ATOM 38495 OH2 TIP3 10729 29.802 19.534 -4.774 1.00 0.00 WAT +ATOM 38496 H1 TIP3 10729 29.856 20.167 -5.503 1.00 0.00 WAT +ATOM 38497 H2 TIP3 10729 29.470 18.746 -5.243 1.00 0.00 WAT +ATOM 38498 OH2 TIP3 10730 29.120 20.682 1.207 1.00 0.00 WAT +ATOM 38499 H1 TIP3 10730 28.995 19.732 1.062 1.00 0.00 WAT +ATOM 38500 H2 TIP3 10730 28.720 20.802 2.094 1.00 0.00 WAT +ATOM 38501 OH2 TIP3 10731 13.909 22.859 4.864 1.00 0.00 WAT +ATOM 38502 H1 TIP3 10731 14.163 22.861 3.917 1.00 0.00 WAT +ATOM 38503 H2 TIP3 10731 14.768 22.649 5.286 1.00 0.00 WAT +ATOM 38504 OH2 TIP3 10732 29.711 22.646 10.345 1.00 0.00 WAT +ATOM 38505 H1 TIP3 10732 30.438 22.020 10.524 1.00 0.00 WAT +ATOM 38506 H2 TIP3 10732 30.178 23.474 10.174 1.00 0.00 WAT +ATOM 38507 OH2 TIP3 10733 31.272 20.748 11.568 1.00 0.00 WAT +ATOM 38508 H1 TIP3 10733 30.472 20.224 11.342 1.00 0.00 WAT +ATOM 38509 H2 TIP3 10733 31.963 20.060 11.542 1.00 0.00 WAT +ATOM 38510 OH2 TIP3 10734 29.126 16.845 -5.521 1.00 0.00 WAT +ATOM 38511 H1 TIP3 10734 29.631 16.313 -4.895 1.00 0.00 WAT +ATOM 38512 H2 TIP3 10734 28.299 16.353 -5.613 1.00 0.00 WAT +ATOM 38513 OH2 TIP3 10735 29.069 18.186 -0.700 1.00 0.00 WAT +ATOM 38514 H1 TIP3 10735 29.223 17.224 -0.637 1.00 0.00 WAT +ATOM 38515 H2 TIP3 10735 29.903 18.494 -1.073 1.00 0.00 WAT +ATOM 38516 OH2 TIP3 10736 29.230 18.786 4.824 1.00 0.00 WAT +ATOM 38517 H1 TIP3 10736 30.197 18.933 4.838 1.00 0.00 WAT +ATOM 38518 H2 TIP3 10736 29.029 18.867 5.773 1.00 0.00 WAT +ATOM 38519 OH2 TIP3 10737 29.382 19.496 7.634 1.00 0.00 WAT +ATOM 38520 H1 TIP3 10737 28.516 19.845 7.919 1.00 0.00 WAT +ATOM 38521 H2 TIP3 10737 29.873 20.317 7.444 1.00 0.00 WAT +ATOM 38522 OH2 TIP3 10738 13.564 17.938 10.991 1.00 0.00 WAT +ATOM 38523 H1 TIP3 10738 14.490 17.704 11.154 1.00 0.00 WAT +ATOM 38524 H2 TIP3 10738 13.086 17.196 11.375 1.00 0.00 WAT +ATOM 38525 OH2 TIP3 10739 31.961 13.681 12.953 1.00 0.00 WAT +ATOM 38526 H1 TIP3 10739 32.336 12.984 12.383 1.00 0.00 WAT +ATOM 38527 H2 TIP3 10739 31.950 14.447 12.346 1.00 0.00 WAT +ATOM 38528 OH2 TIP3 10740 29.270 15.230 -0.721 1.00 0.00 WAT +ATOM 38529 H1 TIP3 10740 29.462 15.011 0.214 1.00 0.00 WAT +ATOM 38530 H2 TIP3 10740 28.395 14.830 -0.816 1.00 0.00 WAT +ATOM 38531 OH2 TIP3 10741 13.385 19.517 4.956 1.00 0.00 WAT +ATOM 38532 H1 TIP3 10741 13.817 19.421 4.112 1.00 0.00 WAT +ATOM 38533 H2 TIP3 10741 13.801 20.301 5.323 1.00 0.00 WAT +ATOM 38534 OH2 TIP3 10742 31.295 15.703 11.182 1.00 0.00 WAT +ATOM 38535 H1 TIP3 10742 30.422 16.136 11.226 1.00 0.00 WAT +ATOM 38536 H2 TIP3 10742 31.173 15.173 10.373 1.00 0.00 WAT +ATOM 38537 OH2 TIP3 10743 31.579 15.855 -3.808 1.00 0.00 WAT +ATOM 38538 H1 TIP3 10743 31.703 15.070 -4.372 1.00 0.00 WAT +ATOM 38539 H2 TIP3 10743 32.017 16.543 -4.324 1.00 0.00 WAT +ATOM 38540 OH2 TIP3 10744 28.290 30.874 1.334 1.00 0.00 WAT +ATOM 38541 H1 TIP3 10744 28.750 30.653 0.505 1.00 0.00 WAT +ATOM 38542 H2 TIP3 10744 29.002 31.275 1.848 1.00 0.00 WAT +ATOM 38543 OH2 TIP3 10745 15.700 27.663 12.036 1.00 0.00 WAT +ATOM 38544 H1 TIP3 10745 14.965 27.571 11.411 1.00 0.00 WAT +ATOM 38545 H2 TIP3 10745 15.261 27.534 12.888 1.00 0.00 WAT +ATOM 38546 OH2 TIP3 10746 18.555 28.560 7.684 1.00 0.00 WAT +ATOM 38547 H1 TIP3 10746 18.219 29.420 7.378 1.00 0.00 WAT +ATOM 38548 H2 TIP3 10746 19.514 28.699 7.555 1.00 0.00 WAT +ATOM 38549 OH2 TIP3 10747 23.050 29.893 10.727 1.00 0.00 WAT +ATOM 38550 H1 TIP3 10747 23.186 29.721 11.673 1.00 0.00 WAT +ATOM 38551 H2 TIP3 10747 23.887 30.338 10.485 1.00 0.00 WAT +ATOM 38552 OH2 TIP3 10748 25.344 31.352 9.961 1.00 0.00 WAT +ATOM 38553 H1 TIP3 10748 26.030 30.702 9.747 1.00 0.00 WAT +ATOM 38554 H2 TIP3 10748 25.642 31.658 10.840 1.00 0.00 WAT +ATOM 38555 OH2 TIP3 10749 30.171 13.937 9.136 1.00 0.00 WAT +ATOM 38556 H1 TIP3 10749 29.355 14.141 8.646 1.00 0.00 WAT +ATOM 38557 H2 TIP3 10749 30.368 13.038 8.801 1.00 0.00 WAT +ATOM 38558 OH2 TIP3 10750 15.918 31.541 8.042 1.00 0.00 WAT +ATOM 38559 H1 TIP3 10750 15.317 32.173 7.608 1.00 0.00 WAT +ATOM 38560 H2 TIP3 10750 15.586 31.578 8.948 1.00 0.00 WAT +ATOM 38561 OH2 TIP3 10751 18.404 31.301 6.567 1.00 0.00 WAT +ATOM 38562 H1 TIP3 10751 17.560 31.492 7.022 1.00 0.00 WAT +ATOM 38563 H2 TIP3 10751 18.446 32.021 5.911 1.00 0.00 WAT +ATOM 38564 OH2 TIP3 10752 23.140 31.314 6.160 1.00 0.00 WAT +ATOM 38565 H1 TIP3 10752 22.793 31.787 5.383 1.00 0.00 WAT +ATOM 38566 H2 TIP3 10752 23.245 32.047 6.796 1.00 0.00 WAT +ATOM 38567 OH2 TIP3 10753 25.492 30.029 7.062 1.00 0.00 WAT +ATOM 38568 H1 TIP3 10753 24.642 30.395 6.754 1.00 0.00 WAT +ATOM 38569 H2 TIP3 10753 26.054 30.817 7.066 1.00 0.00 WAT +ATOM 38570 OH2 TIP3 10754 28.019 31.756 7.268 1.00 0.00 WAT +ATOM 38571 H1 TIP3 10754 27.978 32.709 7.054 1.00 0.00 WAT +ATOM 38572 H2 TIP3 10754 28.304 31.395 6.412 1.00 0.00 WAT +ATOM 38573 OH2 TIP3 10755 15.501 30.340 4.998 1.00 0.00 WAT +ATOM 38574 H1 TIP3 10755 15.469 29.846 5.846 1.00 0.00 WAT +ATOM 38575 H2 TIP3 10755 16.262 29.909 4.570 1.00 0.00 WAT +ATOM 38576 OH2 TIP3 10756 17.556 29.027 3.360 1.00 0.00 WAT +ATOM 38577 H1 TIP3 10756 17.383 28.124 3.708 1.00 0.00 WAT +ATOM 38578 H2 TIP3 10756 18.406 29.255 3.783 1.00 0.00 WAT +ATOM 38579 OH2 TIP3 10757 20.233 29.445 4.369 1.00 0.00 WAT +ATOM 38580 H1 TIP3 10757 20.664 28.596 4.252 1.00 0.00 WAT +ATOM 38581 H2 TIP3 10757 20.350 29.575 5.326 1.00 0.00 WAT +ATOM 38582 OH2 TIP3 10758 28.541 13.472 4.092 1.00 0.00 WAT +ATOM 38583 H1 TIP3 10758 29.228 13.917 3.571 1.00 0.00 WAT +ATOM 38584 H2 TIP3 10758 27.735 13.617 3.547 1.00 0.00 WAT +ATOM 38585 OH2 TIP3 10759 30.556 14.615 1.785 1.00 0.00 WAT +ATOM 38586 H1 TIP3 10759 31.314 14.131 1.406 1.00 0.00 WAT +ATOM 38587 H2 TIP3 10759 30.925 15.488 1.998 1.00 0.00 WAT +ATOM 38588 OH2 TIP3 10760 26.255 13.538 2.511 1.00 0.00 WAT +ATOM 38589 H1 TIP3 10760 25.971 13.823 1.635 1.00 0.00 WAT +ATOM 38590 H2 TIP3 10760 25.726 12.740 2.622 1.00 0.00 WAT +ATOM 38591 OH2 TIP3 10761 14.949 29.602 -1.777 1.00 0.00 WAT +ATOM 38592 H1 TIP3 10761 14.312 29.476 -2.496 1.00 0.00 WAT +ATOM 38593 H2 TIP3 10761 14.930 30.565 -1.695 1.00 0.00 WAT +ATOM 38594 OH2 TIP3 10762 21.316 15.570 -2.003 1.00 0.00 WAT +ATOM 38595 H1 TIP3 10762 21.760 15.032 -1.337 1.00 0.00 WAT +ATOM 38596 H2 TIP3 10762 21.373 16.456 -1.624 1.00 0.00 WAT +ATOM 38597 OH2 TIP3 10763 23.612 31.421 -3.640 1.00 0.00 WAT +ATOM 38598 H1 TIP3 10763 24.584 31.458 -3.705 1.00 0.00 WAT +ATOM 38599 H2 TIP3 10763 23.419 30.778 -4.343 1.00 0.00 WAT +ATOM 38600 OH2 TIP3 10764 30.088 30.468 -1.067 1.00 0.00 WAT +ATOM 38601 H1 TIP3 10764 29.889 29.620 -1.513 1.00 0.00 WAT +ATOM 38602 H2 TIP3 10764 30.132 31.070 -1.828 1.00 0.00 WAT +ATOM 38603 OH2 TIP3 10765 15.762 14.180 10.603 1.00 0.00 WAT +ATOM 38604 H1 TIP3 10765 15.280 13.722 11.303 1.00 0.00 WAT +ATOM 38605 H2 TIP3 10765 16.673 14.149 10.929 1.00 0.00 WAT +ATOM 38606 OH2 TIP3 10766 18.263 13.737 12.354 1.00 0.00 WAT +ATOM 38607 H1 TIP3 10766 19.021 13.220 12.035 1.00 0.00 WAT +ATOM 38608 H2 TIP3 10766 17.796 13.094 12.925 1.00 0.00 WAT +ATOM 38609 OH2 TIP3 10767 16.386 30.573 -4.985 1.00 0.00 WAT +ATOM 38610 H1 TIP3 10767 16.148 30.826 -4.081 1.00 0.00 WAT +ATOM 38611 H2 TIP3 10767 17.145 29.982 -4.849 1.00 0.00 WAT +ATOM 38612 OH2 TIP3 10768 26.252 12.887 12.601 1.00 0.00 WAT +ATOM 38613 H1 TIP3 10768 26.338 12.521 13.501 1.00 0.00 WAT +ATOM 38614 H2 TIP3 10768 27.176 12.884 12.296 1.00 0.00 WAT +ATOM 38615 OH2 TIP3 10769 29.626 29.229 11.306 1.00 0.00 WAT +ATOM 38616 H1 TIP3 10769 28.891 29.029 10.699 1.00 0.00 WAT +ATOM 38617 H2 TIP3 10769 29.443 30.166 11.507 1.00 0.00 WAT +ATOM 38618 OH2 TIP3 10770 42.113 22.010 4.584 1.00 0.00 WAT +ATOM 38619 H1 TIP3 10770 42.906 22.271 5.088 1.00 0.00 WAT +ATOM 38620 H2 TIP3 10770 42.454 21.956 3.684 1.00 0.00 WAT +ATOM 38621 OH2 TIP3 10771 35.150 21.924 6.178 1.00 0.00 WAT +ATOM 38622 H1 TIP3 10771 35.134 21.181 6.809 1.00 0.00 WAT +ATOM 38623 H2 TIP3 10771 35.861 22.466 6.548 1.00 0.00 WAT +ATOM 38624 OH2 TIP3 10772 35.809 26.565 4.685 1.00 0.00 WAT +ATOM 38625 H1 TIP3 10772 35.568 25.649 4.429 1.00 0.00 WAT +ATOM 38626 H2 TIP3 10772 36.743 26.436 4.905 1.00 0.00 WAT +ATOM 38627 OH2 TIP3 10773 32.813 19.997 -0.065 1.00 0.00 WAT +ATOM 38628 H1 TIP3 10773 32.411 20.854 0.154 1.00 0.00 WAT +ATOM 38629 H2 TIP3 10773 32.034 19.442 -0.181 1.00 0.00 WAT +ATOM 38630 OH2 TIP3 10774 33.597 22.407 1.904 1.00 0.00 WAT +ATOM 38631 H1 TIP3 10774 33.765 21.602 2.432 1.00 0.00 WAT +ATOM 38632 H2 TIP3 10774 34.457 22.553 1.490 1.00 0.00 WAT +ATOM 38633 OH2 TIP3 10775 41.197 24.858 5.182 1.00 0.00 WAT +ATOM 38634 H1 TIP3 10775 41.454 24.108 4.619 1.00 0.00 WAT +ATOM 38635 H2 TIP3 10775 42.037 25.067 5.610 1.00 0.00 WAT +ATOM 38636 OH2 TIP3 10776 37.423 17.207 2.673 1.00 0.00 WAT +ATOM 38637 H1 TIP3 10776 37.586 18.061 2.226 1.00 0.00 WAT +ATOM 38638 H2 TIP3 10776 37.098 16.675 1.924 1.00 0.00 WAT +ATOM 38639 OH2 TIP3 10777 34.126 19.941 3.175 1.00 0.00 WAT +ATOM 38640 H1 TIP3 10777 34.741 19.473 3.765 1.00 0.00 WAT +ATOM 38641 H2 TIP3 10777 34.219 19.433 2.354 1.00 0.00 WAT +ATOM 38642 OH2 TIP3 10778 39.519 21.290 2.644 1.00 0.00 WAT +ATOM 38643 H1 TIP3 10778 40.270 20.770 2.999 1.00 0.00 WAT +ATOM 38644 H2 TIP3 10778 39.022 20.591 2.183 1.00 0.00 WAT +ATOM 38645 OH2 TIP3 10779 36.242 15.984 6.822 1.00 0.00 WAT +ATOM 38646 H1 TIP3 10779 35.838 16.487 6.099 1.00 0.00 WAT +ATOM 38647 H2 TIP3 10779 35.580 16.118 7.530 1.00 0.00 WAT +ATOM 38648 OH2 TIP3 10780 39.154 23.811 6.970 1.00 0.00 WAT +ATOM 38649 H1 TIP3 10780 38.428 24.419 7.220 1.00 0.00 WAT +ATOM 38650 H2 TIP3 10780 39.805 24.419 6.578 1.00 0.00 WAT +ATOM 38651 OH2 TIP3 10781 35.829 18.040 4.766 1.00 0.00 WAT +ATOM 38652 H1 TIP3 10781 36.478 18.610 5.233 1.00 0.00 WAT +ATOM 38653 H2 TIP3 10781 36.409 17.663 4.068 1.00 0.00 WAT +ATOM 38654 OH2 TIP3 10782 37.151 25.733 7.682 1.00 0.00 WAT +ATOM 38655 H1 TIP3 10782 37.129 26.653 7.360 1.00 0.00 WAT +ATOM 38656 H2 TIP3 10782 36.282 25.688 8.123 1.00 0.00 WAT +ATOM 38657 OH2 TIP3 10783 33.453 25.443 -1.444 1.00 0.00 WAT +ATOM 38658 H1 TIP3 10783 33.289 25.943 -2.264 1.00 0.00 WAT +ATOM 38659 H2 TIP3 10783 33.639 26.146 -0.787 1.00 0.00 WAT +ATOM 38660 OH2 TIP3 10784 40.442 13.460 3.974 1.00 0.00 WAT +ATOM 38661 H1 TIP3 10784 40.173 12.522 3.945 1.00 0.00 WAT +ATOM 38662 H2 TIP3 10784 39.633 13.878 4.336 1.00 0.00 WAT +ATOM 38663 OH2 TIP3 10785 42.729 22.283 -1.394 1.00 0.00 WAT +ATOM 38664 H1 TIP3 10785 42.018 22.947 -1.485 1.00 0.00 WAT +ATOM 38665 H2 TIP3 10785 43.294 22.534 -2.125 1.00 0.00 WAT +ATOM 38666 OH2 TIP3 10786 42.889 20.752 -4.220 1.00 0.00 WAT +ATOM 38667 H1 TIP3 10786 43.663 20.690 -3.640 1.00 0.00 WAT +ATOM 38668 H2 TIP3 10786 42.957 19.959 -4.763 1.00 0.00 WAT +ATOM 38669 OH2 TIP3 10787 37.575 23.168 1.570 1.00 0.00 WAT +ATOM 38670 H1 TIP3 10787 37.304 22.742 0.739 1.00 0.00 WAT +ATOM 38671 H2 TIP3 10787 38.240 22.541 1.911 1.00 0.00 WAT +ATOM 38672 OH2 TIP3 10788 38.965 26.565 4.318 1.00 0.00 WAT +ATOM 38673 H1 TIP3 10788 38.881 26.183 3.434 1.00 0.00 WAT +ATOM 38674 H2 TIP3 10788 39.765 26.118 4.654 1.00 0.00 WAT +ATOM 38675 OH2 TIP3 10789 38.150 22.013 5.030 1.00 0.00 WAT +ATOM 38676 H1 TIP3 10789 38.764 21.990 4.269 1.00 0.00 WAT +ATOM 38677 H2 TIP3 10789 38.577 22.659 5.625 1.00 0.00 WAT +ATOM 38678 OH2 TIP3 10790 39.035 26.351 9.866 1.00 0.00 WAT +ATOM 38679 H1 TIP3 10790 38.513 27.007 10.359 1.00 0.00 WAT +ATOM 38680 H2 TIP3 10790 38.398 26.076 9.179 1.00 0.00 WAT +ATOM 38681 OH2 TIP3 10791 35.945 22.698 9.005 1.00 0.00 WAT +ATOM 38682 H1 TIP3 10791 35.996 23.291 9.776 1.00 0.00 WAT +ATOM 38683 H2 TIP3 10791 34.983 22.583 8.916 1.00 0.00 WAT +ATOM 38684 OH2 TIP3 10792 42.495 28.423 0.756 1.00 0.00 WAT +ATOM 38685 H1 TIP3 10792 42.991 28.931 1.419 1.00 0.00 WAT +ATOM 38686 H2 TIP3 10792 42.001 29.119 0.302 1.00 0.00 WAT +ATOM 38687 OH2 TIP3 10793 37.107 28.522 10.703 1.00 0.00 WAT +ATOM 38688 H1 TIP3 10793 37.002 28.545 9.735 1.00 0.00 WAT +ATOM 38689 H2 TIP3 10793 36.228 28.232 11.013 1.00 0.00 WAT +ATOM 38690 OH2 TIP3 10794 36.540 21.913 -1.008 1.00 0.00 WAT +ATOM 38691 H1 TIP3 10794 36.323 22.728 -1.500 1.00 0.00 WAT +ATOM 38692 H2 TIP3 10794 35.730 21.402 -1.112 1.00 0.00 WAT +ATOM 38693 OH2 TIP3 10795 32.565 24.606 7.814 1.00 0.00 WAT +ATOM 38694 H1 TIP3 10795 32.112 24.603 6.948 1.00 0.00 WAT +ATOM 38695 H2 TIP3 10795 32.688 23.653 7.981 1.00 0.00 WAT +ATOM 38696 OH2 TIP3 10796 32.615 27.538 4.743 1.00 0.00 WAT +ATOM 38697 H1 TIP3 10796 33.537 27.246 4.790 1.00 0.00 WAT +ATOM 38698 H2 TIP3 10796 32.568 28.142 5.498 1.00 0.00 WAT +ATOM 38699 OH2 TIP3 10797 41.733 27.353 9.384 1.00 0.00 WAT +ATOM 38700 H1 TIP3 10797 41.796 28.244 9.754 1.00 0.00 WAT +ATOM 38701 H2 TIP3 10797 40.818 27.086 9.587 1.00 0.00 WAT +ATOM 38702 OH2 TIP3 10798 41.857 31.181 -0.720 1.00 0.00 WAT +ATOM 38703 H1 TIP3 10798 42.030 31.218 -1.673 1.00 0.00 WAT +ATOM 38704 H2 TIP3 10798 42.073 32.069 -0.412 1.00 0.00 WAT +ATOM 38705 OH2 TIP3 10799 35.739 30.333 0.908 1.00 0.00 WAT +ATOM 38706 H1 TIP3 10799 35.880 29.876 1.763 1.00 0.00 WAT +ATOM 38707 H2 TIP3 10799 34.914 29.927 0.607 1.00 0.00 WAT +ATOM 38708 OH2 TIP3 10800 34.743 26.162 9.066 1.00 0.00 WAT +ATOM 38709 H1 TIP3 10800 35.023 25.681 9.872 1.00 0.00 WAT +ATOM 38710 H2 TIP3 10800 34.015 25.612 8.724 1.00 0.00 WAT +ATOM 38711 OH2 TIP3 10801 37.971 14.625 4.811 1.00 0.00 WAT +ATOM 38712 H1 TIP3 10801 37.147 14.544 4.300 1.00 0.00 WAT +ATOM 38713 H2 TIP3 10801 37.735 15.356 5.402 1.00 0.00 WAT +ATOM 38714 OH2 TIP3 10802 42.325 13.982 9.092 1.00 0.00 WAT +ATOM 38715 H1 TIP3 10802 42.446 13.250 9.714 1.00 0.00 WAT +ATOM 38716 H2 TIP3 10802 41.416 13.803 8.773 1.00 0.00 WAT +ATOM 38717 OH2 TIP3 10803 42.323 16.787 -4.155 1.00 0.00 WAT +ATOM 38718 H1 TIP3 10803 41.677 16.582 -3.464 1.00 0.00 WAT +ATOM 38719 H2 TIP3 10803 42.061 16.153 -4.838 1.00 0.00 WAT +ATOM 38720 OH2 TIP3 10804 37.785 19.425 6.226 1.00 0.00 WAT +ATOM 38721 H1 TIP3 10804 37.193 19.539 6.986 1.00 0.00 WAT +ATOM 38722 H2 TIP3 10804 37.866 20.337 5.872 1.00 0.00 WAT +ATOM 38723 OH2 TIP3 10805 37.742 19.498 1.116 1.00 0.00 WAT +ATOM 38724 H1 TIP3 10805 36.785 19.387 0.951 1.00 0.00 WAT +ATOM 38725 H2 TIP3 10805 38.100 19.308 0.230 1.00 0.00 WAT +ATOM 38726 OH2 TIP3 10806 42.768 20.018 0.613 1.00 0.00 WAT +ATOM 38727 H1 TIP3 10806 42.628 20.953 0.385 1.00 0.00 WAT +ATOM 38728 H2 TIP3 10806 43.704 19.996 0.850 1.00 0.00 WAT +ATOM 38729 OH2 TIP3 10807 42.515 20.317 11.451 1.00 0.00 WAT +ATOM 38730 H1 TIP3 10807 41.947 19.524 11.575 1.00 0.00 WAT +ATOM 38731 H2 TIP3 10807 43.384 19.870 11.429 1.00 0.00 WAT +ATOM 38732 OH2 TIP3 10808 35.167 19.586 8.071 1.00 0.00 WAT +ATOM 38733 H1 TIP3 10808 35.419 19.887 8.952 1.00 0.00 WAT +ATOM 38734 H2 TIP3 10808 34.809 18.701 8.263 1.00 0.00 WAT +ATOM 38735 OH2 TIP3 10809 38.646 17.245 -5.346 1.00 0.00 WAT +ATOM 38736 H1 TIP3 10809 38.221 16.812 -4.582 1.00 0.00 WAT +ATOM 38737 H2 TIP3 10809 37.903 17.380 -5.951 1.00 0.00 WAT +ATOM 38738 OH2 TIP3 10810 32.108 17.203 1.672 1.00 0.00 WAT +ATOM 38739 H1 TIP3 10810 32.621 16.996 2.477 1.00 0.00 WAT +ATOM 38740 H2 TIP3 10810 32.507 16.654 0.980 1.00 0.00 WAT +ATOM 38741 OH2 TIP3 10811 43.500 20.844 7.490 1.00 0.00 WAT +ATOM 38742 H1 TIP3 10811 43.781 20.186 6.819 1.00 0.00 WAT +ATOM 38743 H2 TIP3 10811 42.719 20.396 7.847 1.00 0.00 WAT +ATOM 38744 OH2 TIP3 10812 40.482 16.890 2.147 1.00 0.00 WAT +ATOM 38745 H1 TIP3 10812 39.547 16.959 2.397 1.00 0.00 WAT +ATOM 38746 H2 TIP3 10812 40.905 17.084 3.000 1.00 0.00 WAT +ATOM 38747 OH2 TIP3 10813 35.128 18.367 0.726 1.00 0.00 WAT +ATOM 38748 H1 TIP3 10813 34.203 18.488 0.451 1.00 0.00 WAT +ATOM 38749 H2 TIP3 10813 35.353 17.474 0.404 1.00 0.00 WAT +ATOM 38750 OH2 TIP3 10814 38.735 18.625 -1.521 1.00 0.00 WAT +ATOM 38751 H1 TIP3 10814 39.698 18.702 -1.406 1.00 0.00 WAT +ATOM 38752 H2 TIP3 10814 38.548 19.257 -2.224 1.00 0.00 WAT +ATOM 38753 OH2 TIP3 10815 36.825 19.703 -3.889 1.00 0.00 WAT +ATOM 38754 H1 TIP3 10815 36.687 19.633 -4.860 1.00 0.00 WAT +ATOM 38755 H2 TIP3 10815 37.741 20.019 -3.932 1.00 0.00 WAT +ATOM 38756 OH2 TIP3 10816 35.821 24.624 11.241 1.00 0.00 WAT +ATOM 38757 H1 TIP3 10816 36.498 24.705 11.945 1.00 0.00 WAT +ATOM 38758 H2 TIP3 10816 35.017 24.600 11.795 1.00 0.00 WAT +ATOM 38759 OH2 TIP3 10817 41.380 19.226 3.576 1.00 0.00 WAT +ATOM 38760 H1 TIP3 10817 42.173 18.923 3.119 1.00 0.00 WAT +ATOM 38761 H2 TIP3 10817 41.627 19.109 4.509 1.00 0.00 WAT +ATOM 38762 OH2 TIP3 10818 36.786 16.031 0.110 1.00 0.00 WAT +ATOM 38763 H1 TIP3 10818 36.259 15.233 0.298 1.00 0.00 WAT +ATOM 38764 H2 TIP3 10818 37.623 15.650 -0.190 1.00 0.00 WAT +ATOM 38765 OH2 TIP3 10819 40.494 17.969 6.262 1.00 0.00 WAT +ATOM 38766 H1 TIP3 10819 39.799 18.631 6.110 1.00 0.00 WAT +ATOM 38767 H2 TIP3 10819 41.003 18.373 6.988 1.00 0.00 WAT +ATOM 38768 OH2 TIP3 10820 40.752 24.283 -1.837 1.00 0.00 WAT +ATOM 38769 H1 TIP3 10820 39.945 23.885 -2.223 1.00 0.00 WAT +ATOM 38770 H2 TIP3 10820 40.494 24.427 -0.896 1.00 0.00 WAT +ATOM 38771 OH2 TIP3 10821 42.066 24.331 9.384 1.00 0.00 WAT +ATOM 38772 H1 TIP3 10821 41.832 24.230 10.310 1.00 0.00 WAT +ATOM 38773 H2 TIP3 10821 42.133 25.293 9.271 1.00 0.00 WAT +ATOM 38774 OH2 TIP3 10822 35.770 23.850 3.917 1.00 0.00 WAT +ATOM 38775 H1 TIP3 10822 36.359 23.757 3.149 1.00 0.00 WAT +ATOM 38776 H2 TIP3 10822 35.905 23.003 4.373 1.00 0.00 WAT +ATOM 38777 OH2 TIP3 10823 42.872 25.746 -2.885 1.00 0.00 WAT +ATOM 38778 H1 TIP3 10823 42.595 26.642 -2.602 1.00 0.00 WAT +ATOM 38779 H2 TIP3 10823 42.113 25.217 -2.561 1.00 0.00 WAT +ATOM 38780 OH2 TIP3 10824 33.047 22.136 9.193 1.00 0.00 WAT +ATOM 38781 H1 TIP3 10824 33.196 21.690 10.050 1.00 0.00 WAT +ATOM 38782 H2 TIP3 10824 32.426 21.541 8.742 1.00 0.00 WAT +ATOM 38783 OH2 TIP3 10825 40.020 21.642 11.216 1.00 0.00 WAT +ATOM 38784 H1 TIP3 10825 39.660 21.341 10.364 1.00 0.00 WAT +ATOM 38785 H2 TIP3 10825 40.959 21.394 11.122 1.00 0.00 WAT +ATOM 38786 OH2 TIP3 10826 38.148 27.147 1.191 1.00 0.00 WAT +ATOM 38787 H1 TIP3 10826 38.580 28.009 1.067 1.00 0.00 WAT +ATOM 38788 H2 TIP3 10826 37.237 27.351 0.946 1.00 0.00 WAT +ATOM 38789 OH2 TIP3 10827 34.140 21.524 -3.950 1.00 0.00 WAT +ATOM 38790 H1 TIP3 10827 34.755 22.279 -3.924 1.00 0.00 WAT +ATOM 38791 H2 TIP3 10827 33.281 21.989 -3.943 1.00 0.00 WAT +ATOM 38792 OH2 TIP3 10828 39.941 24.824 0.775 1.00 0.00 WAT +ATOM 38793 H1 TIP3 10828 39.702 25.750 0.946 1.00 0.00 WAT +ATOM 38794 H2 TIP3 10828 39.227 24.356 1.231 1.00 0.00 WAT +ATOM 38795 OH2 TIP3 10829 40.197 29.135 7.204 1.00 0.00 WAT +ATOM 38796 H1 TIP3 10829 40.774 29.849 6.857 1.00 0.00 WAT +ATOM 38797 H2 TIP3 10829 40.842 28.608 7.695 1.00 0.00 WAT +ATOM 38798 OH2 TIP3 10830 38.596 30.045 0.423 1.00 0.00 WAT +ATOM 38799 H1 TIP3 10830 37.642 30.218 0.485 1.00 0.00 WAT +ATOM 38800 H2 TIP3 10830 38.969 30.921 0.640 1.00 0.00 WAT +ATOM 38801 OH2 TIP3 10831 34.355 16.795 8.821 1.00 0.00 WAT +ATOM 38802 H1 TIP3 10831 33.448 17.050 8.555 1.00 0.00 WAT +ATOM 38803 H2 TIP3 10831 34.203 15.914 9.207 1.00 0.00 WAT +ATOM 38804 OH2 TIP3 10832 34.121 28.544 7.209 1.00 0.00 WAT +ATOM 38805 H1 TIP3 10832 34.415 27.634 7.366 1.00 0.00 WAT +ATOM 38806 H2 TIP3 10832 34.350 28.950 8.054 1.00 0.00 WAT +ATOM 38807 OH2 TIP3 10833 39.948 27.238 -5.770 1.00 0.00 WAT +ATOM 38808 H1 TIP3 10833 40.292 26.472 -6.266 1.00 0.00 WAT +ATOM 38809 H2 TIP3 10833 39.564 26.798 -4.992 1.00 0.00 WAT +ATOM 38810 OH2 TIP3 10834 38.876 26.665 -3.014 1.00 0.00 WAT +ATOM 38811 H1 TIP3 10834 39.355 26.196 -2.319 1.00 0.00 WAT +ATOM 38812 H2 TIP3 10834 38.980 27.599 -2.738 1.00 0.00 WAT +ATOM 38813 OH2 TIP3 10835 35.652 24.092 -2.661 1.00 0.00 WAT +ATOM 38814 H1 TIP3 10835 34.896 24.501 -2.197 1.00 0.00 WAT +ATOM 38815 H2 TIP3 10835 36.105 24.881 -3.006 1.00 0.00 WAT +ATOM 38816 OH2 TIP3 10836 43.369 17.062 7.911 1.00 0.00 WAT +ATOM 38817 H1 TIP3 10836 43.874 16.276 8.132 1.00 0.00 WAT +ATOM 38818 H2 TIP3 10836 42.751 16.711 7.252 1.00 0.00 WAT +ATOM 38819 OH2 TIP3 10837 41.682 28.322 -2.507 1.00 0.00 WAT +ATOM 38820 H1 TIP3 10837 40.885 28.832 -2.280 1.00 0.00 WAT +ATOM 38821 H2 TIP3 10837 42.106 28.905 -3.145 1.00 0.00 WAT +ATOM 38822 OH2 TIP3 10838 41.376 17.966 -0.433 1.00 0.00 WAT +ATOM 38823 H1 TIP3 10838 41.998 18.675 -0.146 1.00 0.00 WAT +ATOM 38824 H2 TIP3 10838 41.024 17.737 0.447 1.00 0.00 WAT +ATOM 38825 OH2 TIP3 10839 41.626 18.923 8.764 1.00 0.00 WAT +ATOM 38826 H1 TIP3 10839 41.846 19.447 9.544 1.00 0.00 WAT +ATOM 38827 H2 TIP3 10839 42.343 18.258 8.732 1.00 0.00 WAT +ATOM 38828 OH2 TIP3 10840 41.945 15.030 0.749 1.00 0.00 WAT +ATOM 38829 H1 TIP3 10840 41.652 15.813 1.268 1.00 0.00 WAT +ATOM 38830 H2 TIP3 10840 42.714 15.378 0.263 1.00 0.00 WAT +ATOM 38831 OH2 TIP3 10841 38.939 29.390 -2.440 1.00 0.00 WAT +ATOM 38832 H1 TIP3 10841 38.910 30.197 -2.997 1.00 0.00 WAT +ATOM 38833 H2 TIP3 10841 38.816 29.760 -1.546 1.00 0.00 WAT +ATOM 38834 OH2 TIP3 10842 37.679 16.106 -2.975 1.00 0.00 WAT +ATOM 38835 H1 TIP3 10842 37.810 16.857 -2.371 1.00 0.00 WAT +ATOM 38836 H2 TIP3 10842 38.451 15.548 -2.766 1.00 0.00 WAT +ATOM 38837 OH2 TIP3 10843 36.103 26.939 -3.877 1.00 0.00 WAT +ATOM 38838 H1 TIP3 10843 36.825 27.467 -3.498 1.00 0.00 WAT +ATOM 38839 H2 TIP3 10843 36.596 26.466 -4.566 1.00 0.00 WAT +ATOM 38840 OH2 TIP3 10844 35.145 14.185 3.999 1.00 0.00 WAT +ATOM 38841 H1 TIP3 10844 34.974 14.134 3.038 1.00 0.00 WAT +ATOM 38842 H2 TIP3 10844 34.834 13.314 4.314 1.00 0.00 WAT +ATOM 38843 OH2 TIP3 10845 34.046 27.666 0.288 1.00 0.00 WAT +ATOM 38844 H1 TIP3 10845 33.271 28.196 0.518 1.00 0.00 WAT +ATOM 38845 H2 TIP3 10845 34.432 28.193 -0.429 1.00 0.00 WAT +ATOM 38846 OH2 TIP3 10846 33.457 30.586 11.421 1.00 0.00 WAT +ATOM 38847 H1 TIP3 10846 34.033 30.301 12.156 1.00 0.00 WAT +ATOM 38848 H2 TIP3 10846 33.066 29.735 11.140 1.00 0.00 WAT +ATOM 38849 OH2 TIP3 10847 38.148 29.651 13.212 1.00 0.00 WAT +ATOM 38850 H1 TIP3 10847 38.818 28.980 13.416 1.00 0.00 WAT +ATOM 38851 H2 TIP3 10847 37.898 29.391 12.309 1.00 0.00 WAT +ATOM 38852 OH2 TIP3 10848 42.308 28.882 -5.467 1.00 0.00 WAT +ATOM 38853 H1 TIP3 10848 41.468 28.380 -5.447 1.00 0.00 WAT +ATOM 38854 H2 TIP3 10848 42.927 28.143 -5.600 1.00 0.00 WAT +ATOM 38855 OH2 TIP3 10849 33.414 24.218 12.548 1.00 0.00 WAT +ATOM 38856 H1 TIP3 10849 33.504 23.311 12.211 1.00 0.00 WAT +ATOM 38857 H2 TIP3 10849 32.640 24.524 12.036 1.00 0.00 WAT +ATOM 38858 OH2 TIP3 10850 37.622 24.655 -5.426 1.00 0.00 WAT +ATOM 38859 H1 TIP3 10850 37.810 24.049 -4.690 1.00 0.00 WAT +ATOM 38860 H2 TIP3 10850 38.464 24.619 -5.914 1.00 0.00 WAT +ATOM 38861 OH2 TIP3 10851 40.083 24.430 11.868 1.00 0.00 WAT +ATOM 38862 H1 TIP3 10851 39.785 24.752 10.999 1.00 0.00 WAT +ATOM 38863 H2 TIP3 10851 40.151 23.463 11.729 1.00 0.00 WAT +ATOM 38864 OH2 TIP3 10852 42.620 25.964 -5.891 1.00 0.00 WAT +ATOM 38865 H1 TIP3 10852 42.768 26.068 -4.935 1.00 0.00 WAT +ATOM 38866 H2 TIP3 10852 42.431 25.012 -5.948 1.00 0.00 WAT +ATOM 38867 OH2 TIP3 10853 34.275 21.359 11.719 1.00 0.00 WAT +ATOM 38868 H1 TIP3 10853 35.001 20.714 11.726 1.00 0.00 WAT +ATOM 38869 H2 TIP3 10853 34.217 21.572 12.664 1.00 0.00 WAT +ATOM 38870 OH2 TIP3 10854 38.682 22.719 -3.136 1.00 0.00 WAT +ATOM 38871 H1 TIP3 10854 38.118 22.215 -2.534 1.00 0.00 WAT +ATOM 38872 H2 TIP3 10854 39.045 22.030 -3.732 1.00 0.00 WAT +ATOM 38873 OH2 TIP3 10855 37.960 20.523 9.186 1.00 0.00 WAT +ATOM 38874 H1 TIP3 10855 37.390 21.298 9.345 1.00 0.00 WAT +ATOM 38875 H2 TIP3 10855 38.525 20.838 8.462 1.00 0.00 WAT +ATOM 38876 OH2 TIP3 10856 39.771 20.743 -4.771 1.00 0.00 WAT +ATOM 38877 H1 TIP3 10856 39.669 20.761 -5.741 1.00 0.00 WAT +ATOM 38878 H2 TIP3 10856 40.736 20.827 -4.693 1.00 0.00 WAT +ATOM 38879 OH2 TIP3 10857 42.842 22.985 12.873 1.00 0.00 WAT +ATOM 38880 H1 TIP3 10857 43.538 22.673 12.287 1.00 0.00 WAT +ATOM 38881 H2 TIP3 10857 42.667 22.169 13.376 1.00 0.00 WAT +ATOM 38882 OH2 TIP3 10858 38.564 17.796 10.316 1.00 0.00 WAT +ATOM 38883 H1 TIP3 10858 38.622 17.137 9.601 1.00 0.00 WAT +ATOM 38884 H2 TIP3 10858 38.388 18.608 9.810 1.00 0.00 WAT +ATOM 38885 OH2 TIP3 10859 38.861 16.242 7.743 1.00 0.00 WAT +ATOM 38886 H1 TIP3 10859 39.365 16.807 7.120 1.00 0.00 WAT +ATOM 38887 H2 TIP3 10859 37.951 16.275 7.382 1.00 0.00 WAT +ATOM 38888 OH2 TIP3 10860 40.662 21.633 8.054 1.00 0.00 WAT +ATOM 38889 H1 TIP3 10860 41.353 21.629 7.380 1.00 0.00 WAT +ATOM 38890 H2 TIP3 10860 40.291 22.522 7.927 1.00 0.00 WAT +ATOM 38891 OH2 TIP3 10861 36.758 19.601 12.124 1.00 0.00 WAT +ATOM 38892 H1 TIP3 10861 36.206 18.799 12.084 1.00 0.00 WAT +ATOM 38893 H2 TIP3 10861 37.541 19.323 11.623 1.00 0.00 WAT +ATOM 38894 OH2 TIP3 10862 39.703 13.621 8.116 1.00 0.00 WAT +ATOM 38895 H1 TIP3 10862 39.470 14.555 7.925 1.00 0.00 WAT +ATOM 38896 H2 TIP3 10862 39.060 13.150 7.551 1.00 0.00 WAT +ATOM 38897 OH2 TIP3 10863 41.024 18.071 11.850 1.00 0.00 WAT +ATOM 38898 H1 TIP3 10863 40.636 17.824 12.704 1.00 0.00 WAT +ATOM 38899 H2 TIP3 10863 40.288 17.847 11.249 1.00 0.00 WAT +ATOM 38900 OH2 TIP3 10864 35.410 17.080 11.919 1.00 0.00 WAT +ATOM 38901 H1 TIP3 10864 35.311 16.379 11.254 1.00 0.00 WAT +ATOM 38902 H2 TIP3 10864 35.163 16.609 12.736 1.00 0.00 WAT +ATOM 38903 OH2 TIP3 10865 39.447 13.072 10.928 1.00 0.00 WAT +ATOM 38904 H1 TIP3 10865 40.062 12.326 10.951 1.00 0.00 WAT +ATOM 38905 H2 TIP3 10865 39.402 13.238 9.965 1.00 0.00 WAT +ATOM 38906 OH2 TIP3 10866 40.337 14.866 12.892 1.00 0.00 WAT +ATOM 38907 H1 TIP3 10866 40.086 14.331 12.112 1.00 0.00 WAT +ATOM 38908 H2 TIP3 10866 39.732 15.621 12.825 1.00 0.00 WAT +ATOM 38909 OH2 TIP3 10867 39.573 31.908 -3.735 1.00 0.00 WAT +ATOM 38910 H1 TIP3 10867 40.527 32.051 -3.685 1.00 0.00 WAT +ATOM 38911 H2 TIP3 10867 39.354 32.441 -4.512 1.00 0.00 WAT +ATOM 38912 OH2 TIP3 10868 33.344 26.360 -4.178 1.00 0.00 WAT +ATOM 38913 H1 TIP3 10868 34.298 26.568 -4.081 1.00 0.00 WAT +ATOM 38914 H2 TIP3 10868 33.361 25.594 -4.786 1.00 0.00 WAT +ATOM 38915 OH2 TIP3 10869 32.319 31.563 0.532 1.00 0.00 WAT +ATOM 38916 H1 TIP3 10869 31.610 31.182 -0.022 1.00 0.00 WAT +ATOM 38917 H2 TIP3 10869 32.428 30.872 1.214 1.00 0.00 WAT +ATOM 38918 OH2 TIP3 10870 32.716 29.578 2.513 1.00 0.00 WAT +ATOM 38919 H1 TIP3 10870 32.431 28.707 2.834 1.00 0.00 WAT +ATOM 38920 H2 TIP3 10870 33.075 29.940 3.339 1.00 0.00 WAT +ATOM 38921 OH2 TIP3 10871 32.802 22.920 4.909 1.00 0.00 WAT +ATOM 38922 H1 TIP3 10871 33.058 22.991 3.975 1.00 0.00 WAT +ATOM 38923 H2 TIP3 10871 33.669 22.712 5.316 1.00 0.00 WAT +ATOM 38924 OH2 TIP3 10872 32.732 18.286 11.340 1.00 0.00 WAT +ATOM 38925 H1 TIP3 10872 33.661 18.000 11.336 1.00 0.00 WAT +ATOM 38926 H2 TIP3 10872 32.266 17.432 11.378 1.00 0.00 WAT +ATOM 38927 OH2 TIP3 10873 33.486 16.598 4.086 1.00 0.00 WAT +ATOM 38928 H1 TIP3 10873 33.938 15.744 4.211 1.00 0.00 WAT +ATOM 38929 H2 TIP3 10873 34.140 17.207 4.477 1.00 0.00 WAT +ATOM 38930 OH2 TIP3 10874 32.052 19.281 5.182 1.00 0.00 WAT +ATOM 38931 H1 TIP3 10874 32.603 19.262 4.384 1.00 0.00 WAT +ATOM 38932 H2 TIP3 10874 32.395 20.066 5.628 1.00 0.00 WAT +ATOM 38933 OH2 TIP3 10875 32.450 15.920 -0.905 1.00 0.00 WAT +ATOM 38934 H1 TIP3 10875 31.508 15.696 -0.959 1.00 0.00 WAT +ATOM 38935 H2 TIP3 10875 32.607 16.266 -1.790 1.00 0.00 WAT +ATOM 38936 OH2 TIP3 10876 32.567 14.525 7.382 1.00 0.00 WAT +ATOM 38937 H1 TIP3 10876 31.851 14.236 7.965 1.00 0.00 WAT +ATOM 38938 H2 TIP3 10876 32.065 15.033 6.716 1.00 0.00 WAT +ATOM 38939 OH2 TIP3 10877 34.559 27.612 12.052 1.00 0.00 WAT +ATOM 38940 H1 TIP3 10877 33.840 27.573 11.403 1.00 0.00 WAT +ATOM 38941 H2 TIP3 10877 34.082 27.561 12.891 1.00 0.00 WAT +ATOM 38942 OH2 TIP3 10878 37.403 28.596 7.720 1.00 0.00 WAT +ATOM 38943 H1 TIP3 10878 37.096 29.447 7.361 1.00 0.00 WAT +ATOM 38944 H2 TIP3 10878 38.361 28.685 7.548 1.00 0.00 WAT +ATOM 38945 OH2 TIP3 10879 42.194 30.222 10.615 1.00 0.00 WAT +ATOM 38946 H1 TIP3 10879 42.046 29.851 11.498 1.00 0.00 WAT +ATOM 38947 H2 TIP3 10879 43.143 30.436 10.674 1.00 0.00 WAT +ATOM 38948 OH2 TIP3 10880 34.774 31.544 8.054 1.00 0.00 WAT +ATOM 38949 H1 TIP3 10880 34.184 32.170 7.598 1.00 0.00 WAT +ATOM 38950 H2 TIP3 10880 34.416 31.584 8.949 1.00 0.00 WAT +ATOM 38951 OH2 TIP3 10881 37.289 31.319 6.624 1.00 0.00 WAT +ATOM 38952 H1 TIP3 10881 36.436 31.518 7.055 1.00 0.00 WAT +ATOM 38953 H2 TIP3 10881 37.333 32.005 5.933 1.00 0.00 WAT +ATOM 38954 OH2 TIP3 10882 41.961 31.092 6.178 1.00 0.00 WAT +ATOM 38955 H1 TIP3 10882 41.788 31.563 5.347 1.00 0.00 WAT +ATOM 38956 H2 TIP3 10882 42.579 31.679 6.624 1.00 0.00 WAT +ATOM 38957 OH2 TIP3 10883 34.345 30.331 4.993 1.00 0.00 WAT +ATOM 38958 H1 TIP3 10883 34.336 29.845 5.846 1.00 0.00 WAT +ATOM 38959 H2 TIP3 10883 35.107 29.904 4.552 1.00 0.00 WAT +ATOM 38960 OH2 TIP3 10884 36.356 29.096 3.443 1.00 0.00 WAT +ATOM 38961 H1 TIP3 10884 36.217 28.161 3.699 1.00 0.00 WAT +ATOM 38962 H2 TIP3 10884 37.276 29.249 3.737 1.00 0.00 WAT +ATOM 38963 OH2 TIP3 10885 39.117 29.575 4.320 1.00 0.00 WAT +ATOM 38964 H1 TIP3 10885 39.343 28.658 4.089 1.00 0.00 WAT +ATOM 38965 H2 TIP3 10885 39.205 29.548 5.285 1.00 0.00 WAT +ATOM 38966 OH2 TIP3 10886 42.652 15.134 3.639 1.00 0.00 WAT +ATOM 38967 H1 TIP3 10886 41.818 14.649 3.776 1.00 0.00 WAT +ATOM 38968 H2 TIP3 10886 42.970 14.723 2.830 1.00 0.00 WAT +ATOM 38969 OH2 TIP3 10887 34.815 14.119 1.135 1.00 0.00 WAT +ATOM 38970 H1 TIP3 10887 33.944 13.941 0.731 1.00 0.00 WAT +ATOM 38971 H2 TIP3 10887 35.226 13.235 1.040 1.00 0.00 WAT +ATOM 38972 OH2 TIP3 10888 33.582 13.597 -2.900 1.00 0.00 WAT +ATOM 38973 H1 TIP3 10888 34.067 14.237 -3.446 1.00 0.00 WAT +ATOM 38974 H2 TIP3 10888 33.109 14.169 -2.282 1.00 0.00 WAT +ATOM 38975 OH2 TIP3 10889 39.293 14.042 1.073 1.00 0.00 WAT +ATOM 38976 H1 TIP3 10889 40.235 14.270 0.962 1.00 0.00 WAT +ATOM 38977 H2 TIP3 10889 39.269 13.866 2.021 1.00 0.00 WAT +ATOM 38978 OH2 TIP3 10890 33.787 29.606 -1.750 1.00 0.00 WAT +ATOM 38979 H1 TIP3 10890 33.184 29.478 -2.499 1.00 0.00 WAT +ATOM 38980 H2 TIP3 10890 33.798 30.574 -1.708 1.00 0.00 WAT +ATOM 38981 OH2 TIP3 10891 35.293 15.589 -4.332 1.00 0.00 WAT +ATOM 38982 H1 TIP3 10891 35.726 14.992 -4.963 1.00 0.00 WAT +ATOM 38983 H2 TIP3 10891 36.051 15.779 -3.737 1.00 0.00 WAT +ATOM 38984 OH2 TIP3 10892 40.665 15.681 -1.938 1.00 0.00 WAT +ATOM 38985 H1 TIP3 10892 40.666 15.026 -1.222 1.00 0.00 WAT +ATOM 38986 H2 TIP3 10892 40.620 16.519 -1.446 1.00 0.00 WAT +ATOM 38987 OH2 TIP3 10893 42.657 31.214 -3.657 1.00 0.00 WAT +ATOM 38988 H1 TIP3 10893 43.517 31.615 -3.872 1.00 0.00 WAT +ATOM 38989 H2 TIP3 10893 42.473 30.676 -4.446 1.00 0.00 WAT +ATOM 38990 OH2 TIP3 10894 34.596 14.401 10.728 1.00 0.00 WAT +ATOM 38991 H1 TIP3 10894 34.199 13.576 11.058 1.00 0.00 WAT +ATOM 38992 H2 TIP3 10894 35.528 14.263 10.957 1.00 0.00 WAT +ATOM 38993 OH2 TIP3 10895 37.008 13.784 12.473 1.00 0.00 WAT +ATOM 38994 H1 TIP3 10895 37.826 13.442 12.060 1.00 0.00 WAT +ATOM 38995 H2 TIP3 10895 36.631 12.971 12.845 1.00 0.00 WAT +ATOM 38996 OH2 TIP3 10896 35.200 30.511 -4.978 1.00 0.00 WAT +ATOM 38997 H1 TIP3 10896 35.015 30.867 -4.097 1.00 0.00 WAT +ATOM 38998 H2 TIP3 10896 36.009 29.992 -4.837 1.00 0.00 WAT +ATOM 38999 OH2 TIP3 10897 -31.577 42.031 1.245 1.00 0.00 WAT +ATOM 39000 H1 TIP3 10897 -31.884 42.947 1.281 1.00 0.00 WAT +ATOM 39001 H2 TIP3 10897 -32.326 41.610 0.798 1.00 0.00 WAT +ATOM 39002 OH2 TIP3 10898 -32.780 41.321 4.533 1.00 0.00 WAT +ATOM 39003 H1 TIP3 10898 -32.749 40.800 5.353 1.00 0.00 WAT +ATOM 39004 H2 TIP3 10898 -33.043 40.670 3.875 1.00 0.00 WAT +ATOM 39005 OH2 TIP3 10899 -40.212 40.744 6.103 1.00 0.00 WAT +ATOM 39006 H1 TIP3 10899 -40.331 40.059 6.784 1.00 0.00 WAT +ATOM 39007 H2 TIP3 10899 -39.663 41.380 6.577 1.00 0.00 WAT +ATOM 39008 OH2 TIP3 10900 -41.774 39.705 -0.757 1.00 0.00 WAT +ATOM 39009 H1 TIP3 10900 -42.256 40.334 -0.192 1.00 0.00 WAT +ATOM 39010 H2 TIP3 10900 -42.194 38.883 -0.494 1.00 0.00 WAT +ATOM 39011 OH2 TIP3 10901 -41.980 41.270 1.743 1.00 0.00 WAT +ATOM 39012 H1 TIP3 10901 -41.968 40.550 2.394 1.00 0.00 WAT +ATOM 39013 H2 TIP3 10901 -41.035 41.393 1.606 1.00 0.00 WAT +ATOM 39014 OH2 TIP3 10902 -25.535 35.215 5.688 1.00 0.00 WAT +ATOM 39015 H1 TIP3 10902 -25.358 35.821 6.428 1.00 0.00 WAT +ATOM 39016 H2 TIP3 10902 -24.951 35.589 5.006 1.00 0.00 WAT +ATOM 39017 OH2 TIP3 10903 -30.946 38.034 5.600 1.00 0.00 WAT +ATOM 39018 H1 TIP3 10903 -30.823 37.071 5.634 1.00 0.00 WAT +ATOM 39019 H2 TIP3 10903 -31.053 38.182 4.649 1.00 0.00 WAT +ATOM 39020 OH2 TIP3 10904 -37.976 36.049 2.657 1.00 0.00 WAT +ATOM 39021 H1 TIP3 10904 -37.855 36.909 2.206 1.00 0.00 WAT +ATOM 39022 H2 TIP3 10904 -38.342 35.523 1.919 1.00 0.00 WAT +ATOM 39023 OH2 TIP3 10905 -30.139 36.219 0.980 1.00 0.00 WAT +ATOM 39024 H1 TIP3 10905 -29.553 35.797 1.645 1.00 0.00 WAT +ATOM 39025 H2 TIP3 10905 -29.487 36.677 0.430 1.00 0.00 WAT +ATOM 39026 OH2 TIP3 10906 -41.419 38.803 3.185 1.00 0.00 WAT +ATOM 39027 H1 TIP3 10906 -40.806 38.412 3.829 1.00 0.00 WAT +ATOM 39028 H2 TIP3 10906 -41.231 38.267 2.397 1.00 0.00 WAT +ATOM 39029 OH2 TIP3 10907 -35.888 40.176 2.642 1.00 0.00 WAT +ATOM 39030 H1 TIP3 10907 -35.220 39.587 3.048 1.00 0.00 WAT +ATOM 39031 H2 TIP3 10907 -36.448 39.531 2.169 1.00 0.00 WAT +ATOM 39032 OH2 TIP3 10908 -24.888 36.574 8.193 1.00 0.00 WAT +ATOM 39033 H1 TIP3 10908 -25.451 37.316 7.902 1.00 0.00 WAT +ATOM 39034 H2 TIP3 10908 -25.011 36.625 9.151 1.00 0.00 WAT +ATOM 39035 OH2 TIP3 10909 -39.188 34.872 6.840 1.00 0.00 WAT +ATOM 39036 H1 TIP3 10909 -39.625 35.316 6.097 1.00 0.00 WAT +ATOM 39037 H2 TIP3 10909 -39.821 35.048 7.560 1.00 0.00 WAT +ATOM 39038 OH2 TIP3 10910 -36.471 42.668 6.627 1.00 0.00 WAT +ATOM 39039 H1 TIP3 10910 -37.275 43.211 6.647 1.00 0.00 WAT +ATOM 39040 H2 TIP3 10910 -35.806 43.362 6.508 1.00 0.00 WAT +ATOM 39041 OH2 TIP3 10911 -28.293 35.454 3.018 1.00 0.00 WAT +ATOM 39042 H1 TIP3 10911 -28.716 34.878 3.668 1.00 0.00 WAT +ATOM 39043 H2 TIP3 10911 -27.805 36.073 3.591 1.00 0.00 WAT +ATOM 39044 OH2 TIP3 10912 -39.568 36.899 4.749 1.00 0.00 WAT +ATOM 39045 H1 TIP3 10912 -38.941 37.496 5.203 1.00 0.00 WAT +ATOM 39046 H2 TIP3 10912 -38.990 36.541 4.040 1.00 0.00 WAT +ATOM 39047 OH2 TIP3 10913 -28.162 34.615 6.849 1.00 0.00 WAT +ATOM 39048 H1 TIP3 10913 -28.939 35.015 6.416 1.00 0.00 WAT +ATOM 39049 H2 TIP3 10913 -27.454 34.802 6.206 1.00 0.00 WAT +ATOM 39050 OH2 TIP3 10914 -35.050 32.331 3.924 1.00 0.00 WAT +ATOM 39051 H1 TIP3 10914 -35.287 31.386 3.858 1.00 0.00 WAT +ATOM 39052 H2 TIP3 10914 -35.877 32.715 4.285 1.00 0.00 WAT +ATOM 39053 OH2 TIP3 10915 -33.080 41.434 -1.344 1.00 0.00 WAT +ATOM 39054 H1 TIP3 10915 -33.730 41.783 -1.968 1.00 0.00 WAT +ATOM 39055 H2 TIP3 10915 -32.306 41.340 -1.927 1.00 0.00 WAT +ATOM 39056 OH2 TIP3 10916 -32.665 39.410 -4.154 1.00 0.00 WAT +ATOM 39057 H1 TIP3 10916 -31.935 39.790 -3.633 1.00 0.00 WAT +ATOM 39058 H2 TIP3 10916 -32.173 38.925 -4.830 1.00 0.00 WAT +ATOM 39059 OH2 TIP3 10917 -25.509 40.561 6.946 1.00 0.00 WAT +ATOM 39060 H1 TIP3 10917 -26.198 41.253 7.059 1.00 0.00 WAT +ATOM 39061 H2 TIP3 10917 -25.014 40.941 6.190 1.00 0.00 WAT +ATOM 39062 OH2 TIP3 10918 -29.354 41.397 -0.335 1.00 0.00 WAT +ATOM 39063 H1 TIP3 10918 -30.015 41.633 0.347 1.00 0.00 WAT +ATOM 39064 H2 TIP3 10918 -28.704 40.887 0.183 1.00 0.00 WAT +ATOM 39065 OH2 TIP3 10919 -29.638 39.794 8.586 1.00 0.00 WAT +ATOM 39066 H1 TIP3 10919 -29.580 40.550 9.195 1.00 0.00 WAT +ATOM 39067 H2 TIP3 10919 -30.171 40.202 7.880 1.00 0.00 WAT +ATOM 39068 OH2 TIP3 10920 -37.700 42.174 1.561 1.00 0.00 WAT +ATOM 39069 H1 TIP3 10920 -38.004 41.830 0.702 1.00 0.00 WAT +ATOM 39070 H2 TIP3 10920 -37.021 41.524 1.808 1.00 0.00 WAT +ATOM 39071 OH2 TIP3 10921 -37.296 40.736 4.968 1.00 0.00 WAT +ATOM 39072 H1 TIP3 10921 -36.694 40.773 4.200 1.00 0.00 WAT +ATOM 39073 H2 TIP3 10921 -36.952 41.446 5.549 1.00 0.00 WAT +ATOM 39074 OH2 TIP3 10922 -30.551 40.735 -2.694 1.00 0.00 WAT +ATOM 39075 H1 TIP3 10922 -29.979 41.014 -1.942 1.00 0.00 WAT +ATOM 39076 H2 TIP3 10922 -30.087 41.186 -3.447 1.00 0.00 WAT +ATOM 39077 OH2 TIP3 10923 -39.578 41.424 8.982 1.00 0.00 WAT +ATOM 39078 H1 TIP3 10923 -39.494 42.012 9.767 1.00 0.00 WAT +ATOM 39079 H2 TIP3 10923 -40.464 41.697 8.677 1.00 0.00 WAT +ATOM 39080 OH2 TIP3 10924 -27.047 32.457 -3.268 1.00 0.00 WAT +ATOM 39081 H1 TIP3 10924 -27.922 32.563 -2.851 1.00 0.00 WAT +ATOM 39082 H2 TIP3 10924 -26.695 33.361 -3.225 1.00 0.00 WAT +ATOM 39083 OH2 TIP3 10925 -38.943 40.844 -0.922 1.00 0.00 WAT +ATOM 39084 H1 TIP3 10925 -39.139 41.629 -1.471 1.00 0.00 WAT +ATOM 39085 H2 TIP3 10925 -39.723 40.286 -1.092 1.00 0.00 WAT +ATOM 39086 OH2 TIP3 10926 -42.007 42.756 7.788 1.00 0.00 WAT +ATOM 39087 H1 TIP3 10926 -42.522 43.131 7.059 1.00 0.00 WAT +ATOM 39088 H2 TIP3 10926 -42.682 42.436 8.411 1.00 0.00 WAT +ATOM 39089 OH2 TIP3 10927 -27.712 38.344 10.957 1.00 0.00 WAT +ATOM 39090 H1 TIP3 10927 -28.131 38.777 10.200 1.00 0.00 WAT +ATOM 39091 H2 TIP3 10927 -27.610 37.430 10.633 1.00 0.00 WAT +ATOM 39092 OH2 TIP3 10928 -37.482 33.476 4.824 1.00 0.00 WAT +ATOM 39093 H1 TIP3 10928 -38.307 33.390 4.311 1.00 0.00 WAT +ATOM 39094 H2 TIP3 10928 -37.713 34.224 5.396 1.00 0.00 WAT +ATOM 39095 OH2 TIP3 10929 -33.109 33.063 8.484 1.00 0.00 WAT +ATOM 39096 H1 TIP3 10929 -32.588 32.520 9.106 1.00 0.00 WAT +ATOM 39097 H2 TIP3 10929 -34.015 32.718 8.592 1.00 0.00 WAT +ATOM 39098 OH2 TIP3 10930 -29.936 36.849 8.979 1.00 0.00 WAT +ATOM 39099 H1 TIP3 10930 -30.549 36.715 9.724 1.00 0.00 WAT +ATOM 39100 H2 TIP3 10930 -29.999 37.806 8.805 1.00 0.00 WAT +ATOM 39101 OH2 TIP3 10931 -29.155 41.749 -4.755 1.00 0.00 WAT +ATOM 39102 H1 TIP3 10931 -29.215 41.592 -5.714 1.00 0.00 WAT +ATOM 39103 H2 TIP3 10931 -28.270 42.155 -4.684 1.00 0.00 WAT +ATOM 39104 OH2 TIP3 10932 -33.289 35.563 -4.263 1.00 0.00 WAT +ATOM 39105 H1 TIP3 10932 -33.798 35.448 -3.447 1.00 0.00 WAT +ATOM 39106 H2 TIP3 10932 -33.713 34.899 -4.834 1.00 0.00 WAT +ATOM 39107 OH2 TIP3 10933 -37.594 38.273 6.261 1.00 0.00 WAT +ATOM 39108 H1 TIP3 10933 -38.247 38.392 6.970 1.00 0.00 WAT +ATOM 39109 H2 TIP3 10933 -37.547 39.173 5.867 1.00 0.00 WAT +ATOM 39110 OH2 TIP3 10934 -37.688 38.329 1.107 1.00 0.00 WAT +ATOM 39111 H1 TIP3 10934 -38.648 38.309 0.934 1.00 0.00 WAT +ATOM 39112 H2 TIP3 10934 -37.347 38.176 0.206 1.00 0.00 WAT +ATOM 39113 OH2 TIP3 10935 -32.070 38.985 -0.090 1.00 0.00 WAT +ATOM 39114 H1 TIP3 10935 -32.526 39.753 -0.482 1.00 0.00 WAT +ATOM 39115 H2 TIP3 10935 -31.397 38.792 -0.767 1.00 0.00 WAT +ATOM 39116 OH2 TIP3 10936 -32.842 39.185 11.338 1.00 0.00 WAT +ATOM 39117 H1 TIP3 10936 -33.366 38.424 11.648 1.00 0.00 WAT +ATOM 39118 H2 TIP3 10936 -31.967 39.006 11.722 1.00 0.00 WAT +ATOM 39119 OH2 TIP3 10937 -31.232 38.301 2.660 1.00 0.00 WAT +ATOM 39120 H1 TIP3 10937 -31.505 38.857 1.904 1.00 0.00 WAT +ATOM 39121 H2 TIP3 10937 -30.989 37.486 2.177 1.00 0.00 WAT +ATOM 39122 OH2 TIP3 10938 -40.230 38.424 8.062 1.00 0.00 WAT +ATOM 39123 H1 TIP3 10938 -39.985 38.846 8.893 1.00 0.00 WAT +ATOM 39124 H2 TIP3 10938 -40.518 37.543 8.357 1.00 0.00 WAT +ATOM 39125 OH2 TIP3 10939 -36.857 36.002 -5.342 1.00 0.00 WAT +ATOM 39126 H1 TIP3 10939 -37.247 35.641 -4.522 1.00 0.00 WAT +ATOM 39127 H2 TIP3 10939 -37.638 36.189 -5.877 1.00 0.00 WAT +ATOM 39128 OH2 TIP3 10940 -43.180 36.019 1.742 1.00 0.00 WAT +ATOM 39129 H1 TIP3 10940 -43.048 35.750 2.668 1.00 0.00 WAT +ATOM 39130 H2 TIP3 10940 -42.817 35.279 1.252 1.00 0.00 WAT +ATOM 39131 OH2 TIP3 10941 -42.134 36.603 -2.386 1.00 0.00 WAT +ATOM 39132 H1 TIP3 10941 -41.519 36.767 -3.125 1.00 0.00 WAT +ATOM 39133 H2 TIP3 10941 -42.975 36.850 -2.796 1.00 0.00 WAT +ATOM 39134 OH2 TIP3 10942 -32.264 39.964 7.080 1.00 0.00 WAT +ATOM 39135 H1 TIP3 10942 -31.699 39.308 6.614 1.00 0.00 WAT +ATOM 39136 H2 TIP3 10942 -32.497 39.473 7.880 1.00 0.00 WAT +ATOM 39137 OH2 TIP3 10943 -34.903 35.927 2.147 1.00 0.00 WAT +ATOM 39138 H1 TIP3 10943 -35.850 35.910 2.367 1.00 0.00 WAT +ATOM 39139 H2 TIP3 10943 -34.500 35.761 3.016 1.00 0.00 WAT +ATOM 39140 OH2 TIP3 10944 -40.376 37.180 0.792 1.00 0.00 WAT +ATOM 39141 H1 TIP3 10944 -41.199 37.259 0.300 1.00 0.00 WAT +ATOM 39142 H2 TIP3 10944 -40.007 36.355 0.422 1.00 0.00 WAT +ATOM 39143 OH2 TIP3 10945 -36.707 37.475 -1.524 1.00 0.00 WAT +ATOM 39144 H1 TIP3 10945 -35.744 37.597 -1.465 1.00 0.00 WAT +ATOM 39145 H2 TIP3 10945 -36.979 38.102 -2.218 1.00 0.00 WAT +ATOM 39146 OH2 TIP3 10946 -30.514 35.067 5.160 1.00 0.00 WAT +ATOM 39147 H1 TIP3 10946 -31.154 35.084 5.904 1.00 0.00 WAT +ATOM 39148 H2 TIP3 10946 -31.094 34.733 4.454 1.00 0.00 WAT +ATOM 39149 OH2 TIP3 10947 -38.250 38.751 -3.736 1.00 0.00 WAT +ATOM 39150 H1 TIP3 10947 -38.828 38.448 -4.452 1.00 0.00 WAT +ATOM 39151 H2 TIP3 10947 -37.434 38.961 -4.223 1.00 0.00 WAT +ATOM 39152 OH2 TIP3 10948 -39.560 43.048 11.132 1.00 0.00 WAT +ATOM 39153 H1 TIP3 10948 -38.892 43.560 11.628 1.00 0.00 WAT +ATOM 39154 H2 TIP3 10948 -40.350 43.216 11.685 1.00 0.00 WAT +ATOM 39155 OH2 TIP3 10949 -33.906 38.483 3.958 1.00 0.00 WAT +ATOM 39156 H1 TIP3 10949 -33.143 38.078 3.518 1.00 0.00 WAT +ATOM 39157 H2 TIP3 10949 -34.036 37.891 4.725 1.00 0.00 WAT +ATOM 39158 OH2 TIP3 10950 -38.728 34.840 0.218 1.00 0.00 WAT +ATOM 39159 H1 TIP3 10950 -39.166 33.979 0.252 1.00 0.00 WAT +ATOM 39160 H2 TIP3 10950 -37.924 34.633 -0.280 1.00 0.00 WAT +ATOM 39161 OH2 TIP3 10951 -34.924 36.935 6.209 1.00 0.00 WAT +ATOM 39162 H1 TIP3 10951 -35.696 37.526 6.212 1.00 0.00 WAT +ATOM 39163 H2 TIP3 10951 -34.431 37.212 7.006 1.00 0.00 WAT +ATOM 39164 OH2 TIP3 10952 -35.241 43.656 -1.620 1.00 0.00 WAT +ATOM 39165 H1 TIP3 10952 -35.601 43.003 -2.252 1.00 0.00 WAT +ATOM 39166 H2 TIP3 10952 -34.670 43.151 -1.038 1.00 0.00 WAT +ATOM 39167 OH2 TIP3 10953 -27.266 42.651 6.759 1.00 0.00 WAT +ATOM 39168 H1 TIP3 10953 -27.064 43.132 5.936 1.00 0.00 WAT +ATOM 39169 H2 TIP3 10953 -28.227 42.552 6.627 1.00 0.00 WAT +ATOM 39170 OH2 TIP3 10954 -30.613 36.158 -4.126 1.00 0.00 WAT +ATOM 39171 H1 TIP3 10954 -31.596 36.137 -4.166 1.00 0.00 WAT +ATOM 39172 H2 TIP3 10954 -30.431 36.890 -3.503 1.00 0.00 WAT +ATOM 39173 OH2 TIP3 10955 -29.938 37.977 -2.044 1.00 0.00 WAT +ATOM 39174 H1 TIP3 10955 -29.051 37.820 -1.666 1.00 0.00 WAT +ATOM 39175 H2 TIP3 10955 -29.835 38.850 -2.462 1.00 0.00 WAT +ATOM 39176 OH2 TIP3 10956 -39.713 42.172 3.446 1.00 0.00 WAT +ATOM 39177 H1 TIP3 10956 -38.849 42.330 3.020 1.00 0.00 WAT +ATOM 39178 H2 TIP3 10956 -39.468 41.654 4.230 1.00 0.00 WAT +ATOM 39179 OH2 TIP3 10957 -42.890 41.069 9.715 1.00 0.00 WAT +ATOM 39180 H1 TIP3 10957 -42.337 40.484 10.258 1.00 0.00 WAT +ATOM 39181 H2 TIP3 10957 -42.987 40.560 8.877 1.00 0.00 WAT +ATOM 39182 OH2 TIP3 10958 -35.417 40.464 11.218 1.00 0.00 WAT +ATOM 39183 H1 TIP3 10958 -35.772 40.278 10.331 1.00 0.00 WAT +ATOM 39184 H2 TIP3 10958 -34.467 40.300 11.081 1.00 0.00 WAT +ATOM 39185 OH2 TIP3 10959 -25.352 37.980 -2.322 1.00 0.00 WAT +ATOM 39186 H1 TIP3 10959 -25.899 37.787 -3.110 1.00 0.00 WAT +ATOM 39187 H2 TIP3 10959 -25.228 38.937 -2.468 1.00 0.00 WAT +ATOM 39188 OH2 TIP3 10960 -29.894 41.791 5.466 1.00 0.00 WAT +ATOM 39189 H1 TIP3 10960 -30.802 41.827 5.124 1.00 0.00 WAT +ATOM 39190 H2 TIP3 10960 -29.408 41.361 4.748 1.00 0.00 WAT +ATOM 39191 OH2 TIP3 10961 -41.745 40.960 -4.125 1.00 0.00 WAT +ATOM 39192 H1 TIP3 10961 -40.950 41.336 -3.716 1.00 0.00 WAT +ATOM 39193 H2 TIP3 10961 -42.378 41.673 -3.927 1.00 0.00 WAT +ATOM 39194 OH2 TIP3 10962 -41.023 35.747 8.890 1.00 0.00 WAT +ATOM 39195 H1 TIP3 10962 -41.866 36.094 8.543 1.00 0.00 WAT +ATOM 39196 H2 TIP3 10962 -41.248 34.863 9.228 1.00 0.00 WAT +ATOM 39197 OH2 TIP3 10963 -39.579 -43.916 -2.466 1.00 0.00 WAT +ATOM 39198 H1 TIP3 10963 -40.507 -43.600 -2.423 1.00 0.00 WAT +ATOM 39199 H2 TIP3 10963 -39.122 -43.092 -2.685 1.00 0.00 WAT +ATOM 39200 OH2 TIP3 10964 -32.098 35.487 7.357 1.00 0.00 WAT +ATOM 39201 H1 TIP3 10964 -31.480 35.759 8.052 1.00 0.00 WAT +ATOM 39202 H2 TIP3 10964 -32.593 34.757 7.776 1.00 0.00 WAT +ATOM 39203 OH2 TIP3 10965 -31.453 34.916 -1.380 1.00 0.00 WAT +ATOM 39204 H1 TIP3 10965 -31.298 35.450 -2.175 1.00 0.00 WAT +ATOM 39205 H2 TIP3 10965 -31.006 35.439 -0.693 1.00 0.00 WAT +ATOM 39206 OH2 TIP3 10966 -34.027 36.912 -0.431 1.00 0.00 WAT +ATOM 39207 H1 TIP3 10966 -33.278 37.521 -0.284 1.00 0.00 WAT +ATOM 39208 H2 TIP3 10966 -34.338 36.757 0.482 1.00 0.00 WAT +ATOM 39209 OH2 TIP3 10967 -33.687 37.890 8.752 1.00 0.00 WAT +ATOM 39210 H1 TIP3 10967 -33.592 38.412 9.563 1.00 0.00 WAT +ATOM 39211 H2 TIP3 10967 -33.147 37.113 8.946 1.00 0.00 WAT +ATOM 39212 OH2 TIP3 10968 -33.458 33.934 0.515 1.00 0.00 WAT +ATOM 39213 H1 TIP3 10968 -33.667 34.639 1.158 1.00 0.00 WAT +ATOM 39214 H2 TIP3 10968 -32.735 34.350 0.003 1.00 0.00 WAT +ATOM 39215 OH2 TIP3 10969 -37.745 34.945 -2.903 1.00 0.00 WAT +ATOM 39216 H1 TIP3 10969 -37.653 35.760 -2.379 1.00 0.00 WAT +ATOM 39217 H2 TIP3 10969 -36.920 34.475 -2.668 1.00 0.00 WAT +ATOM 39218 OH2 TIP3 10970 -27.423 35.836 9.627 1.00 0.00 WAT +ATOM 39219 H1 TIP3 10970 -28.368 35.991 9.427 1.00 0.00 WAT +ATOM 39220 H2 TIP3 10970 -27.116 35.636 8.730 1.00 0.00 WAT +ATOM 39221 OH2 TIP3 10971 -28.862 39.654 3.546 1.00 0.00 WAT +ATOM 39222 H1 TIP3 10971 -29.721 39.231 3.374 1.00 0.00 WAT +ATOM 39223 H2 TIP3 10971 -28.410 38.983 4.098 1.00 0.00 WAT +ATOM 39224 OH2 TIP3 10972 -41.142 37.991 -4.799 1.00 0.00 WAT +ATOM 39225 H1 TIP3 10972 -41.118 38.907 -4.491 1.00 0.00 WAT +ATOM 39226 H2 TIP3 10972 -42.030 37.894 -5.158 1.00 0.00 WAT +ATOM 39227 OH2 TIP3 10973 -40.246 32.942 3.966 1.00 0.00 WAT +ATOM 39228 H1 TIP3 10973 -40.577 32.934 3.049 1.00 0.00 WAT +ATOM 39229 H2 TIP3 10973 -40.690 32.157 4.346 1.00 0.00 WAT +ATOM 39230 OH2 TIP3 10974 -41.984 43.458 12.230 1.00 0.00 WAT +ATOM 39231 H1 TIP3 10974 -41.952 42.494 12.219 1.00 0.00 WAT +ATOM 39232 H2 TIP3 10974 -42.933 43.616 12.388 1.00 0.00 WAT +ATOM 39233 OH2 TIP3 10975 -35.877 43.282 11.590 1.00 0.00 WAT +ATOM 39234 H1 TIP3 10975 -35.849 43.466 10.628 1.00 0.00 WAT +ATOM 39235 H2 TIP3 10975 -35.499 42.383 11.629 1.00 0.00 WAT +ATOM 39236 OH2 TIP3 10976 -29.842 -43.769 9.329 1.00 0.00 WAT +ATOM 39237 H1 TIP3 10976 -29.034 -43.318 9.038 1.00 0.00 WAT +ATOM 39238 H2 TIP3 10976 -30.510 -43.097 9.147 1.00 0.00 WAT +ATOM 39239 OH2 TIP3 10977 -41.323 40.170 11.874 1.00 0.00 WAT +ATOM 39240 H1 TIP3 10977 -40.502 39.659 11.758 1.00 0.00 WAT +ATOM 39241 H2 TIP3 10977 -41.280 40.400 12.811 1.00 0.00 WAT +ATOM 39242 OH2 TIP3 10978 -36.589 41.600 -3.115 1.00 0.00 WAT +ATOM 39243 H1 TIP3 10978 -37.292 41.217 -2.573 1.00 0.00 WAT +ATOM 39244 H2 TIP3 10978 -36.469 40.921 -3.805 1.00 0.00 WAT +ATOM 39245 OH2 TIP3 10979 -37.473 39.341 9.215 1.00 0.00 WAT +ATOM 39246 H1 TIP3 10979 -38.068 40.104 9.341 1.00 0.00 WAT +ATOM 39247 H2 TIP3 10979 -36.862 39.679 8.537 1.00 0.00 WAT +ATOM 39248 OH2 TIP3 10980 -35.786 39.557 -4.885 1.00 0.00 WAT +ATOM 39249 H1 TIP3 10980 -35.807 39.717 -5.847 1.00 0.00 WAT +ATOM 39250 H2 TIP3 10980 -34.828 39.565 -4.708 1.00 0.00 WAT +ATOM 39251 OH2 TIP3 10981 -32.208 42.151 12.715 1.00 0.00 WAT +ATOM 39252 H1 TIP3 10981 -31.317 41.991 12.380 1.00 0.00 WAT +ATOM 39253 H2 TIP3 10981 -32.497 41.278 12.986 1.00 0.00 WAT +ATOM 39254 OH2 TIP3 10982 -26.482 41.888 -5.656 1.00 0.00 WAT +ATOM 39255 H1 TIP3 10982 -26.590 41.847 -6.620 1.00 0.00 WAT +ATOM 39256 H2 TIP3 10982 -26.446 42.849 -5.470 1.00 0.00 WAT +ATOM 39257 OH2 TIP3 10983 -36.901 36.627 10.302 1.00 0.00 WAT +ATOM 39258 H1 TIP3 10983 -36.840 35.978 9.576 1.00 0.00 WAT +ATOM 39259 H2 TIP3 10983 -37.106 37.443 9.810 1.00 0.00 WAT +ATOM 39260 OH2 TIP3 10984 -36.567 35.105 7.748 1.00 0.00 WAT +ATOM 39261 H1 TIP3 10984 -36.050 35.632 7.108 1.00 0.00 WAT +ATOM 39262 H2 TIP3 10984 -37.474 35.139 7.380 1.00 0.00 WAT +ATOM 39263 OH2 TIP3 10985 -35.048 40.674 8.066 1.00 0.00 WAT +ATOM 39264 H1 TIP3 10985 -34.215 40.560 7.577 1.00 0.00 WAT +ATOM 39265 H2 TIP3 10985 -35.418 41.474 7.653 1.00 0.00 WAT +ATOM 39266 OH2 TIP3 10986 -30.384 38.272 13.082 1.00 0.00 WAT +ATOM 39267 H1 TIP3 10986 -30.051 37.406 12.817 1.00 0.00 WAT +ATOM 39268 H2 TIP3 10986 -29.576 38.806 13.013 1.00 0.00 WAT +ATOM 39269 OH2 TIP3 10987 -29.511 41.311 11.248 1.00 0.00 WAT +ATOM 39270 H1 TIP3 10987 -29.713 42.062 10.643 1.00 0.00 WAT +ATOM 39271 H2 TIP3 10987 -28.565 41.196 11.069 1.00 0.00 WAT +ATOM 39272 OH2 TIP3 10988 -38.784 38.519 12.118 1.00 0.00 WAT +ATOM 39273 H1 TIP3 10988 -39.298 37.692 12.064 1.00 0.00 WAT +ATOM 39274 H2 TIP3 10988 -37.987 38.294 11.615 1.00 0.00 WAT +ATOM 39275 OH2 TIP3 10989 -35.862 32.429 8.108 1.00 0.00 WAT +ATOM 39276 H1 TIP3 10989 -36.026 33.380 7.928 1.00 0.00 WAT +ATOM 39277 H2 TIP3 10989 -36.555 32.013 7.558 1.00 0.00 WAT +ATOM 39278 OH2 TIP3 10990 -34.569 36.969 11.876 1.00 0.00 WAT +ATOM 39279 H1 TIP3 10990 -34.983 36.847 12.745 1.00 0.00 WAT +ATOM 39280 H2 TIP3 10990 -35.352 36.823 11.303 1.00 0.00 WAT +ATOM 39281 OH2 TIP3 10991 -32.038 36.050 10.755 1.00 0.00 WAT +ATOM 39282 H1 TIP3 10991 -32.933 36.116 11.137 1.00 0.00 WAT +ATOM 39283 H2 TIP3 10991 -31.591 35.464 11.394 1.00 0.00 WAT +ATOM 39284 OH2 TIP3 10992 -30.271 34.690 12.717 1.00 0.00 WAT +ATOM 39285 H1 TIP3 10992 -30.346 33.714 12.702 1.00 0.00 WAT +ATOM 39286 H2 TIP3 10992 -30.457 34.904 13.645 1.00 0.00 WAT +ATOM 39287 OH2 TIP3 10993 -40.102 35.975 11.923 1.00 0.00 WAT +ATOM 39288 H1 TIP3 10993 -40.174 35.268 11.262 1.00 0.00 WAT +ATOM 39289 H2 TIP3 10993 -40.334 35.509 12.748 1.00 0.00 WAT +ATOM 39290 OH2 TIP3 10994 -35.993 31.919 10.909 1.00 0.00 WAT +ATOM 39291 H1 TIP3 10994 -35.407 31.145 10.932 1.00 0.00 WAT +ATOM 39292 H2 TIP3 10994 -36.053 32.070 9.943 1.00 0.00 WAT +ATOM 39293 OH2 TIP3 10995 -35.095 33.758 12.814 1.00 0.00 WAT +ATOM 39294 H1 TIP3 10995 -35.342 33.184 12.058 1.00 0.00 WAT +ATOM 39295 H2 TIP3 10995 -35.759 34.465 12.746 1.00 0.00 WAT +ATOM 39296 OH2 TIP3 10996 -25.691 43.609 -1.231 1.00 0.00 WAT +ATOM 39297 H1 TIP3 10996 -24.744 43.636 -1.419 1.00 0.00 WAT +ATOM 39298 H2 TIP3 10996 -25.831 42.753 -0.806 1.00 0.00 WAT +ATOM 39299 OH2 TIP3 10997 -25.264 41.274 0.414 1.00 0.00 WAT +ATOM 39300 H1 TIP3 10997 -26.090 40.878 0.759 1.00 0.00 WAT +ATOM 39301 H2 TIP3 10997 -24.820 41.570 1.222 1.00 0.00 WAT +ATOM 39302 OH2 TIP3 10998 -25.142 40.926 -3.082 1.00 0.00 WAT +ATOM 39303 H1 TIP3 10998 -25.757 41.153 -3.805 1.00 0.00 WAT +ATOM 39304 H2 TIP3 10998 -25.256 41.687 -2.500 1.00 0.00 WAT +ATOM 39305 OH2 TIP3 10999 -26.846 38.424 -4.752 1.00 0.00 WAT +ATOM 39306 H1 TIP3 10999 -26.663 39.071 -5.449 1.00 0.00 WAT +ATOM 39307 H2 TIP3 10999 -27.093 37.625 -5.258 1.00 0.00 WAT +ATOM 39308 OH2 TIP3 11000 -27.556 39.659 1.133 1.00 0.00 WAT +ATOM 39309 H1 TIP3 11000 -27.592 38.699 0.993 1.00 0.00 WAT +ATOM 39310 H2 TIP3 11000 -27.926 39.739 2.040 1.00 0.00 WAT +ATOM 39311 OH2 TIP3 11001 -42.486 42.094 4.986 1.00 0.00 WAT +ATOM 39312 H1 TIP3 11001 -42.290 41.845 4.075 1.00 0.00 WAT +ATOM 39313 H2 TIP3 11001 -41.766 41.657 5.485 1.00 0.00 WAT +ATOM 39314 OH2 TIP3 11002 -26.548 41.514 10.052 1.00 0.00 WAT +ATOM 39315 H1 TIP3 11002 -25.999 41.027 10.694 1.00 0.00 WAT +ATOM 39316 H2 TIP3 11002 -26.352 42.451 10.231 1.00 0.00 WAT +ATOM 39317 OH2 TIP3 11003 -25.368 39.688 11.650 1.00 0.00 WAT +ATOM 39318 H1 TIP3 11003 -26.069 39.087 11.330 1.00 0.00 WAT +ATOM 39319 H2 TIP3 11003 -24.597 39.100 11.694 1.00 0.00 WAT +ATOM 39320 OH2 TIP3 11004 -27.397 35.778 -5.572 1.00 0.00 WAT +ATOM 39321 H1 TIP3 11004 -26.828 35.288 -4.953 1.00 0.00 WAT +ATOM 39322 H2 TIP3 11004 -28.208 35.249 -5.614 1.00 0.00 WAT +ATOM 39323 OH2 TIP3 11005 -27.575 37.063 -0.594 1.00 0.00 WAT +ATOM 39324 H1 TIP3 11005 -27.337 36.112 -0.555 1.00 0.00 WAT +ATOM 39325 H2 TIP3 11005 -26.775 37.425 -1.014 1.00 0.00 WAT +ATOM 39326 OH2 TIP3 11006 -27.365 37.640 4.831 1.00 0.00 WAT +ATOM 39327 H1 TIP3 11006 -26.399 37.793 4.820 1.00 0.00 WAT +ATOM 39328 H2 TIP3 11006 -27.533 37.716 5.787 1.00 0.00 WAT +ATOM 39329 OH2 TIP3 11007 -27.200 38.382 7.646 1.00 0.00 WAT +ATOM 39330 H1 TIP3 11007 -28.059 38.772 7.893 1.00 0.00 WAT +ATOM 39331 H2 TIP3 11007 -26.674 39.184 7.450 1.00 0.00 WAT +ATOM 39332 OH2 TIP3 11008 -42.866 37.088 11.262 1.00 0.00 WAT +ATOM 39333 H1 TIP3 11008 -41.998 36.664 11.201 1.00 0.00 WAT +ATOM 39334 H2 TIP3 11008 -43.475 36.354 11.430 1.00 0.00 WAT +ATOM 39335 OH2 TIP3 11009 -24.669 32.486 12.935 1.00 0.00 WAT +ATOM 39336 H1 TIP3 11009 -24.220 31.815 12.384 1.00 0.00 WAT +ATOM 39337 H2 TIP3 11009 -24.623 33.274 12.358 1.00 0.00 WAT +ATOM 39338 OH2 TIP3 11010 -27.124 34.269 -0.637 1.00 0.00 WAT +ATOM 39339 H1 TIP3 11010 -27.022 33.941 0.274 1.00 0.00 WAT +ATOM 39340 H2 TIP3 11010 -27.921 33.780 -0.928 1.00 0.00 WAT +ATOM 39341 OH2 TIP3 11011 -41.956 35.536 4.488 1.00 0.00 WAT +ATOM 39342 H1 TIP3 11011 -41.581 34.650 4.390 1.00 0.00 WAT +ATOM 39343 H2 TIP3 11011 -41.165 36.094 4.602 1.00 0.00 WAT +ATOM 39344 OH2 TIP3 11012 -43.284 38.173 5.299 1.00 0.00 WAT +ATOM 39345 H1 TIP3 11012 -42.949 37.668 4.545 1.00 0.00 WAT +ATOM 39346 H2 TIP3 11012 -43.113 39.078 5.013 1.00 0.00 WAT +ATOM 39347 OH2 TIP3 11013 -25.269 34.550 11.195 1.00 0.00 WAT +ATOM 39348 H1 TIP3 11013 -26.132 35.002 11.218 1.00 0.00 WAT +ATOM 39349 H2 TIP3 11013 -25.380 34.017 10.387 1.00 0.00 WAT +ATOM 39350 OH2 TIP3 11014 -25.164 34.747 -3.960 1.00 0.00 WAT +ATOM 39351 H1 TIP3 11014 -24.838 33.954 -4.419 1.00 0.00 WAT +ATOM 39352 H2 TIP3 11014 -24.357 35.282 -3.886 1.00 0.00 WAT +ATOM 39353 OH2 TIP3 11015 -43.161 34.315 -1.222 1.00 0.00 WAT +ATOM 39354 H1 TIP3 11015 -43.999 34.567 -1.640 1.00 0.00 WAT +ATOM 39355 H2 TIP3 11015 -42.578 35.034 -1.550 1.00 0.00 WAT +ATOM 39356 OH2 TIP3 11016 -42.908 33.283 7.151 1.00 0.00 WAT +ATOM 39357 H1 TIP3 11016 -43.603 33.190 7.845 1.00 0.00 WAT +ATOM 39358 H2 TIP3 11016 -43.349 33.743 6.421 1.00 0.00 WAT +ATOM 39359 OH2 TIP3 11017 -26.415 32.792 9.174 1.00 0.00 WAT +ATOM 39360 H1 TIP3 11017 -27.196 33.006 8.634 1.00 0.00 WAT +ATOM 39361 H2 TIP3 11017 -26.183 31.902 8.834 1.00 0.00 WAT +ATOM 39362 OH2 TIP3 11018 -32.960 34.290 3.647 1.00 0.00 WAT +ATOM 39363 H1 TIP3 11018 -33.662 33.623 3.774 1.00 0.00 WAT +ATOM 39364 H2 TIP3 11018 -32.376 33.844 3.014 1.00 0.00 WAT +ATOM 39365 OH2 TIP3 11019 -28.020 32.322 4.093 1.00 0.00 WAT +ATOM 39366 H1 TIP3 11019 -27.258 32.765 3.680 1.00 0.00 WAT +ATOM 39367 H2 TIP3 11019 -28.760 32.614 3.535 1.00 0.00 WAT +ATOM 39368 OH2 TIP3 11020 -25.937 33.423 1.951 1.00 0.00 WAT +ATOM 39369 H1 TIP3 11020 -25.219 33.007 1.439 1.00 0.00 WAT +ATOM 39370 H2 TIP3 11020 -25.619 34.341 2.041 1.00 0.00 WAT +ATOM 39371 OH2 TIP3 11021 -41.064 32.875 1.166 1.00 0.00 WAT +ATOM 39372 H1 TIP3 11021 -41.801 32.609 0.600 1.00 0.00 WAT +ATOM 39373 H2 TIP3 11021 -40.457 32.121 1.051 1.00 0.00 WAT +ATOM 39374 OH2 TIP3 11022 -41.803 32.487 -3.024 1.00 0.00 WAT +ATOM 39375 H1 TIP3 11022 -41.307 33.162 -3.529 1.00 0.00 WAT +ATOM 39376 H2 TIP3 11022 -42.342 33.046 -2.437 1.00 0.00 WAT +ATOM 39377 OH2 TIP3 11023 -36.143 32.823 1.060 1.00 0.00 WAT +ATOM 39378 H1 TIP3 11023 -35.235 33.141 0.923 1.00 0.00 WAT +ATOM 39379 H2 TIP3 11023 -36.174 32.753 2.021 1.00 0.00 WAT +ATOM 39380 OH2 TIP3 11024 -30.539 32.878 2.471 1.00 0.00 WAT +ATOM 39381 H1 TIP3 11024 -30.296 32.724 1.549 1.00 0.00 WAT +ATOM 39382 H2 TIP3 11024 -30.940 32.023 2.716 1.00 0.00 WAT +ATOM 39383 OH2 TIP3 11025 -29.440 32.878 -1.544 1.00 0.00 WAT +ATOM 39384 H1 TIP3 11025 -30.259 33.396 -1.673 1.00 0.00 WAT +ATOM 39385 H2 TIP3 11025 -29.802 31.984 -1.421 1.00 0.00 WAT +ATOM 39386 OH2 TIP3 11026 -40.061 34.367 -4.477 1.00 0.00 WAT +ATOM 39387 H1 TIP3 11026 -39.486 33.796 -5.014 1.00 0.00 WAT +ATOM 39388 H2 TIP3 11026 -39.435 34.664 -3.788 1.00 0.00 WAT +ATOM 39389 OH2 TIP3 11027 -34.994 34.508 -1.888 1.00 0.00 WAT +ATOM 39390 H1 TIP3 11027 -34.649 33.936 -1.185 1.00 0.00 WAT +ATOM 39391 H2 TIP3 11027 -34.789 35.380 -1.515 1.00 0.00 WAT +ATOM 39392 OH2 TIP3 11028 -40.801 33.272 10.690 1.00 0.00 WAT +ATOM 39393 H1 TIP3 11028 -41.251 32.507 11.086 1.00 0.00 WAT +ATOM 39394 H2 TIP3 11028 -39.884 33.123 10.973 1.00 0.00 WAT +ATOM 39395 OH2 TIP3 11029 -38.409 32.650 12.481 1.00 0.00 WAT +ATOM 39396 H1 TIP3 11029 -37.614 32.280 12.046 1.00 0.00 WAT +ATOM 39397 H2 TIP3 11029 -38.795 31.854 12.889 1.00 0.00 WAT +ATOM 39398 OH2 TIP3 11030 -30.293 31.864 12.672 1.00 0.00 WAT +ATOM 39399 H1 TIP3 11030 -30.223 31.389 13.521 1.00 0.00 WAT +ATOM 39400 H2 TIP3 11030 -29.376 31.791 12.344 1.00 0.00 WAT +ATOM 39401 OH2 TIP3 11031 -12.748 42.015 1.282 1.00 0.00 WAT +ATOM 39402 H1 TIP3 11031 -13.022 42.942 1.286 1.00 0.00 WAT +ATOM 39403 H2 TIP3 11031 -13.456 41.622 0.749 1.00 0.00 WAT +ATOM 39404 OH2 TIP3 11032 -14.125 41.331 4.567 1.00 0.00 WAT +ATOM 39405 H1 TIP3 11032 -13.894 40.807 5.352 1.00 0.00 WAT +ATOM 39406 H2 TIP3 11032 -14.127 40.676 3.859 1.00 0.00 WAT +ATOM 39407 OH2 TIP3 11033 -20.827 40.599 5.976 1.00 0.00 WAT +ATOM 39408 H1 TIP3 11033 -21.194 39.988 6.649 1.00 0.00 WAT +ATOM 39409 H2 TIP3 11033 -20.613 41.352 6.556 1.00 0.00 WAT +ATOM 39410 OH2 TIP3 11034 -23.780 38.893 0.120 1.00 0.00 WAT +ATOM 39411 H1 TIP3 11034 -24.267 39.739 0.130 1.00 0.00 WAT +ATOM 39412 H2 TIP3 11034 -24.429 38.312 -0.295 1.00 0.00 WAT +ATOM 39413 OH2 TIP3 11035 -22.604 41.390 2.104 1.00 0.00 WAT +ATOM 39414 H1 TIP3 11035 -22.786 40.520 2.511 1.00 0.00 WAT +ATOM 39415 H2 TIP3 11035 -22.098 41.110 1.331 1.00 0.00 WAT +ATOM 39416 OH2 TIP3 11036 -6.753 35.235 5.714 1.00 0.00 WAT +ATOM 39417 H1 TIP3 11036 -6.495 35.838 6.432 1.00 0.00 WAT +ATOM 39418 H2 TIP3 11036 -6.132 35.513 5.015 1.00 0.00 WAT +ATOM 39419 OH2 TIP3 11037 -12.125 38.036 5.582 1.00 0.00 WAT +ATOM 39420 H1 TIP3 11037 -11.962 37.080 5.640 1.00 0.00 WAT +ATOM 39421 H2 TIP3 11037 -12.219 38.156 4.624 1.00 0.00 WAT +ATOM 39422 OH2 TIP3 11038 -19.167 36.107 2.745 1.00 0.00 WAT +ATOM 39423 H1 TIP3 11038 -19.012 36.888 2.181 1.00 0.00 WAT +ATOM 39424 H2 TIP3 11038 -19.525 35.494 2.073 1.00 0.00 WAT +ATOM 39425 OH2 TIP3 11039 -11.279 36.241 1.016 1.00 0.00 WAT +ATOM 39426 H1 TIP3 11039 -10.679 35.822 1.671 1.00 0.00 WAT +ATOM 39427 H2 TIP3 11039 -10.637 36.676 0.437 1.00 0.00 WAT +ATOM 39428 OH2 TIP3 11040 -22.261 38.781 3.184 1.00 0.00 WAT +ATOM 39429 H1 TIP3 11040 -21.856 38.150 3.799 1.00 0.00 WAT +ATOM 39430 H2 TIP3 11040 -22.274 38.262 2.357 1.00 0.00 WAT +ATOM 39431 OH2 TIP3 11041 -6.002 36.607 8.205 1.00 0.00 WAT +ATOM 39432 H1 TIP3 11041 -6.595 37.322 7.907 1.00 0.00 WAT +ATOM 39433 H2 TIP3 11041 -6.240 36.559 9.141 1.00 0.00 WAT +ATOM 39434 OH2 TIP3 11042 -20.317 34.849 6.834 1.00 0.00 WAT +ATOM 39435 H1 TIP3 11042 -20.726 35.379 6.137 1.00 0.00 WAT +ATOM 39436 H2 TIP3 11042 -20.981 34.958 7.549 1.00 0.00 WAT +ATOM 39437 OH2 TIP3 11043 -17.952 42.616 6.503 1.00 0.00 WAT +ATOM 39438 H1 TIP3 11043 -18.698 43.228 6.368 1.00 0.00 WAT +ATOM 39439 H2 TIP3 11043 -17.220 43.233 6.387 1.00 0.00 WAT +ATOM 39440 OH2 TIP3 11044 -9.469 35.425 3.032 1.00 0.00 WAT +ATOM 39441 H1 TIP3 11044 -9.842 34.853 3.714 1.00 0.00 WAT +ATOM 39442 H2 TIP3 11044 -8.926 36.033 3.564 1.00 0.00 WAT +ATOM 39443 OH2 TIP3 11045 -20.530 37.038 4.923 1.00 0.00 WAT +ATOM 39444 H1 TIP3 11045 -19.892 37.503 5.480 1.00 0.00 WAT +ATOM 39445 H2 TIP3 11045 -19.972 36.646 4.211 1.00 0.00 WAT +ATOM 39446 OH2 TIP3 11046 -9.322 34.607 6.870 1.00 0.00 WAT +ATOM 39447 H1 TIP3 11046 -10.089 35.005 6.419 1.00 0.00 WAT +ATOM 39448 H2 TIP3 11046 -8.594 34.795 6.249 1.00 0.00 WAT +ATOM 39449 OH2 TIP3 11047 -16.198 32.247 3.921 1.00 0.00 WAT +ATOM 39450 H1 TIP3 11047 -16.423 31.297 3.929 1.00 0.00 WAT +ATOM 39451 H2 TIP3 11047 -17.013 32.643 4.291 1.00 0.00 WAT +ATOM 39452 OH2 TIP3 11048 -14.209 41.437 -1.331 1.00 0.00 WAT +ATOM 39453 H1 TIP3 11048 -14.876 41.761 -1.949 1.00 0.00 WAT +ATOM 39454 H2 TIP3 11048 -13.446 41.330 -1.928 1.00 0.00 WAT +ATOM 39455 OH2 TIP3 11049 -13.814 39.409 -4.146 1.00 0.00 WAT +ATOM 39456 H1 TIP3 11049 -13.077 39.791 -3.636 1.00 0.00 WAT +ATOM 39457 H2 TIP3 11049 -13.330 38.925 -4.829 1.00 0.00 WAT +ATOM 39458 OH2 TIP3 11050 -6.693 40.555 6.905 1.00 0.00 WAT +ATOM 39459 H1 TIP3 11050 -7.354 41.272 7.022 1.00 0.00 WAT +ATOM 39460 H2 TIP3 11050 -6.185 40.938 6.159 1.00 0.00 WAT +ATOM 39461 OH2 TIP3 11051 -10.505 41.391 -0.329 1.00 0.00 WAT +ATOM 39462 H1 TIP3 11051 -11.151 41.622 0.364 1.00 0.00 WAT +ATOM 39463 H2 TIP3 11051 -9.837 40.888 0.174 1.00 0.00 WAT +ATOM 39464 OH2 TIP3 11052 -10.778 39.807 8.594 1.00 0.00 WAT +ATOM 39465 H1 TIP3 11052 -10.746 40.569 9.194 1.00 0.00 WAT +ATOM 39466 H2 TIP3 11052 -11.312 40.193 7.877 1.00 0.00 WAT +ATOM 39467 OH2 TIP3 11053 -18.835 41.576 1.791 1.00 0.00 WAT +ATOM 39468 H1 TIP3 11053 -19.120 41.846 0.895 1.00 0.00 WAT +ATOM 39469 H2 TIP3 11053 -17.964 41.236 1.563 1.00 0.00 WAT +ATOM 39470 OH2 TIP3 11054 -11.705 40.745 -2.691 1.00 0.00 WAT +ATOM 39471 H1 TIP3 11054 -11.121 41.012 -1.944 1.00 0.00 WAT +ATOM 39472 H2 TIP3 11054 -11.237 41.187 -3.447 1.00 0.00 WAT +ATOM 39473 OH2 TIP3 11055 -20.620 41.495 8.858 1.00 0.00 WAT +ATOM 39474 H1 TIP3 11055 -20.508 42.143 9.593 1.00 0.00 WAT +ATOM 39475 H2 TIP3 11055 -21.586 41.382 8.917 1.00 0.00 WAT +ATOM 39476 OH2 TIP3 11056 -8.178 32.461 -3.289 1.00 0.00 WAT +ATOM 39477 H1 TIP3 11056 -9.029 32.519 -2.819 1.00 0.00 WAT +ATOM 39478 H2 TIP3 11056 -7.831 33.362 -3.184 1.00 0.00 WAT +ATOM 39479 OH2 TIP3 11057 -20.183 40.891 -0.782 1.00 0.00 WAT +ATOM 39480 H1 TIP3 11057 -20.238 41.653 -1.395 1.00 0.00 WAT +ATOM 39481 H2 TIP3 11057 -20.680 40.213 -1.255 1.00 0.00 WAT +ATOM 39482 OH2 TIP3 11058 -23.637 43.061 7.745 1.00 0.00 WAT +ATOM 39483 H1 TIP3 11058 -24.323 42.990 7.072 1.00 0.00 WAT +ATOM 39484 H2 TIP3 11058 -23.792 42.284 8.312 1.00 0.00 WAT +ATOM 39485 OH2 TIP3 11059 -8.786 38.378 10.929 1.00 0.00 WAT +ATOM 39486 H1 TIP3 11059 -9.286 38.752 10.191 1.00 0.00 WAT +ATOM 39487 H2 TIP3 11059 -8.729 37.440 10.663 1.00 0.00 WAT +ATOM 39488 OH2 TIP3 11060 -18.626 33.424 4.886 1.00 0.00 WAT +ATOM 39489 H1 TIP3 11060 -19.445 33.295 4.376 1.00 0.00 WAT +ATOM 39490 H2 TIP3 11060 -18.923 34.108 5.504 1.00 0.00 WAT +ATOM 39491 OH2 TIP3 11061 -14.273 33.078 8.484 1.00 0.00 WAT +ATOM 39492 H1 TIP3 11061 -13.740 32.523 9.087 1.00 0.00 WAT +ATOM 39493 H2 TIP3 11061 -15.171 32.711 8.594 1.00 0.00 WAT +ATOM 39494 OH2 TIP3 11062 -11.102 36.850 8.962 1.00 0.00 WAT +ATOM 39495 H1 TIP3 11062 -11.702 36.688 9.714 1.00 0.00 WAT +ATOM 39496 H2 TIP3 11062 -11.171 37.810 8.823 1.00 0.00 WAT +ATOM 39497 OH2 TIP3 11063 -10.300 41.741 -4.750 1.00 0.00 WAT +ATOM 39498 H1 TIP3 11063 -10.365 41.594 -5.710 1.00 0.00 WAT +ATOM 39499 H2 TIP3 11063 -9.418 42.156 -4.680 1.00 0.00 WAT +ATOM 39500 OH2 TIP3 11064 -14.445 35.570 -4.266 1.00 0.00 WAT +ATOM 39501 H1 TIP3 11064 -14.934 35.425 -3.444 1.00 0.00 WAT +ATOM 39502 H2 TIP3 11064 -14.839 34.879 -4.828 1.00 0.00 WAT +ATOM 39503 OH2 TIP3 11065 -18.764 38.543 1.407 1.00 0.00 WAT +ATOM 39504 H1 TIP3 11065 -19.669 38.481 1.054 1.00 0.00 WAT +ATOM 39505 H2 TIP3 11065 -18.259 38.406 0.584 1.00 0.00 WAT +ATOM 39506 OH2 TIP3 11066 -13.209 38.990 -0.086 1.00 0.00 WAT +ATOM 39507 H1 TIP3 11066 -13.660 39.748 -0.501 1.00 0.00 WAT +ATOM 39508 H2 TIP3 11066 -12.527 38.782 -0.750 1.00 0.00 WAT +ATOM 39509 OH2 TIP3 11067 -14.026 39.208 11.304 1.00 0.00 WAT +ATOM 39510 H1 TIP3 11067 -14.525 38.434 11.631 1.00 0.00 WAT +ATOM 39511 H2 TIP3 11067 -13.138 39.042 11.675 1.00 0.00 WAT +ATOM 39512 OH2 TIP3 11068 -12.463 38.329 2.689 1.00 0.00 WAT +ATOM 39513 H1 TIP3 11068 -12.688 38.862 1.902 1.00 0.00 WAT +ATOM 39514 H2 TIP3 11068 -12.199 37.500 2.243 1.00 0.00 WAT +ATOM 39515 OH2 TIP3 11069 -21.382 38.387 7.907 1.00 0.00 WAT +ATOM 39516 H1 TIP3 11069 -21.130 38.823 8.731 1.00 0.00 WAT +ATOM 39517 H2 TIP3 11069 -21.694 37.525 8.227 1.00 0.00 WAT +ATOM 39518 OH2 TIP3 11070 -18.003 36.030 -5.355 1.00 0.00 WAT +ATOM 39519 H1 TIP3 11070 -18.377 35.659 -4.531 1.00 0.00 WAT +ATOM 39520 H2 TIP3 11070 -18.789 36.177 -5.895 1.00 0.00 WAT +ATOM 39521 OH2 TIP3 11071 -24.502 35.941 1.728 1.00 0.00 WAT +ATOM 39522 H1 TIP3 11071 -23.878 35.870 2.473 1.00 0.00 WAT +ATOM 39523 H2 TIP3 11071 -24.042 35.501 0.996 1.00 0.00 WAT +ATOM 39524 OH2 TIP3 11072 -22.981 36.334 -2.574 1.00 0.00 WAT +ATOM 39525 H1 TIP3 11072 -22.442 36.813 -3.239 1.00 0.00 WAT +ATOM 39526 H2 TIP3 11072 -23.684 36.986 -2.411 1.00 0.00 WAT +ATOM 39527 OH2 TIP3 11073 -13.404 39.967 7.090 1.00 0.00 WAT +ATOM 39528 H1 TIP3 11073 -12.849 39.302 6.624 1.00 0.00 WAT +ATOM 39529 H2 TIP3 11073 -13.649 39.470 7.885 1.00 0.00 WAT +ATOM 39530 OH2 TIP3 11074 -16.082 35.929 2.125 1.00 0.00 WAT +ATOM 39531 H1 TIP3 11074 -17.018 35.822 2.359 1.00 0.00 WAT +ATOM 39532 H2 TIP3 11074 -15.641 35.721 2.966 1.00 0.00 WAT +ATOM 39533 OH2 TIP3 11075 -21.416 37.242 0.816 1.00 0.00 WAT +ATOM 39534 H1 TIP3 11075 -22.235 37.468 0.344 1.00 0.00 WAT +ATOM 39535 H2 TIP3 11075 -21.099 36.449 0.342 1.00 0.00 WAT +ATOM 39536 OH2 TIP3 11076 -17.868 37.599 -1.404 1.00 0.00 WAT +ATOM 39537 H1 TIP3 11076 -16.897 37.573 -1.447 1.00 0.00 WAT +ATOM 39538 H2 TIP3 11076 -18.127 38.083 -2.207 1.00 0.00 WAT +ATOM 39539 OH2 TIP3 11077 -11.673 35.080 5.161 1.00 0.00 WAT +ATOM 39540 H1 TIP3 11077 -12.312 35.067 5.904 1.00 0.00 WAT +ATOM 39541 H2 TIP3 11077 -12.244 34.742 4.451 1.00 0.00 WAT +ATOM 39542 OH2 TIP3 11078 -19.392 38.742 -3.706 1.00 0.00 WAT +ATOM 39543 H1 TIP3 11078 -19.965 38.448 -4.431 1.00 0.00 WAT +ATOM 39544 H2 TIP3 11078 -18.584 38.975 -4.199 1.00 0.00 WAT +ATOM 39545 OH2 TIP3 11079 -20.706 43.251 10.899 1.00 0.00 WAT +ATOM 39546 H1 TIP3 11079 -20.099 43.665 11.538 1.00 0.00 WAT +ATOM 39547 H2 TIP3 11079 -21.336 42.803 11.514 1.00 0.00 WAT +ATOM 39548 OH2 TIP3 11080 -15.323 38.666 3.778 1.00 0.00 WAT +ATOM 39549 H1 TIP3 11080 -14.548 38.280 3.344 1.00 0.00 WAT +ATOM 39550 H2 TIP3 11080 -15.400 38.133 4.585 1.00 0.00 WAT +ATOM 39551 OH2 TIP3 11081 -19.730 34.904 0.184 1.00 0.00 WAT +ATOM 39552 H1 TIP3 11081 -20.281 34.111 0.298 1.00 0.00 WAT +ATOM 39553 H2 TIP3 11081 -18.932 34.537 -0.225 1.00 0.00 WAT +ATOM 39554 OH2 TIP3 11082 -16.469 37.314 6.274 1.00 0.00 WAT +ATOM 39555 H1 TIP3 11082 -17.154 37.731 6.804 1.00 0.00 WAT +ATOM 39556 H2 TIP3 11082 -15.716 37.372 6.895 1.00 0.00 WAT +ATOM 39557 OH2 TIP3 11083 -16.488 43.615 -1.572 1.00 0.00 WAT +ATOM 39558 H1 TIP3 11083 -16.656 43.042 -2.339 1.00 0.00 WAT +ATOM 39559 H2 TIP3 11083 -15.723 43.254 -1.121 1.00 0.00 WAT +ATOM 39560 OH2 TIP3 11084 -8.441 42.665 6.782 1.00 0.00 WAT +ATOM 39561 H1 TIP3 11084 -8.193 43.120 5.957 1.00 0.00 WAT +ATOM 39562 H2 TIP3 11084 -9.394 42.563 6.603 1.00 0.00 WAT +ATOM 39563 OH2 TIP3 11085 -11.764 36.155 -4.115 1.00 0.00 WAT +ATOM 39564 H1 TIP3 11085 -12.747 36.137 -4.164 1.00 0.00 WAT +ATOM 39565 H2 TIP3 11085 -11.584 36.893 -3.500 1.00 0.00 WAT +ATOM 39566 OH2 TIP3 11086 -11.085 37.982 -2.034 1.00 0.00 WAT +ATOM 39567 H1 TIP3 11086 -10.197 37.816 -1.662 1.00 0.00 WAT +ATOM 39568 H2 TIP3 11086 -10.971 38.846 -2.468 1.00 0.00 WAT +ATOM 39569 OH2 TIP3 11087 -20.065 42.449 4.025 1.00 0.00 WAT +ATOM 39570 H1 TIP3 11087 -19.799 42.394 3.083 1.00 0.00 WAT +ATOM 39571 H2 TIP3 11087 -20.762 41.790 4.127 1.00 0.00 WAT +ATOM 39572 OH2 TIP3 11088 -23.400 40.728 9.290 1.00 0.00 WAT +ATOM 39573 H1 TIP3 11088 -23.433 40.555 10.247 1.00 0.00 WAT +ATOM 39574 H2 TIP3 11088 -24.212 40.314 8.961 1.00 0.00 WAT +ATOM 39575 OH2 TIP3 11089 -16.568 40.525 11.158 1.00 0.00 WAT +ATOM 39576 H1 TIP3 11089 -16.906 40.251 10.292 1.00 0.00 WAT +ATOM 39577 H2 TIP3 11089 -15.631 40.268 11.097 1.00 0.00 WAT +ATOM 39578 OH2 TIP3 11090 -6.503 37.976 -2.324 1.00 0.00 WAT +ATOM 39579 H1 TIP3 11090 -7.050 37.789 -3.114 1.00 0.00 WAT +ATOM 39580 H2 TIP3 11090 -6.372 38.934 -2.465 1.00 0.00 WAT +ATOM 39581 OH2 TIP3 11091 -11.028 41.777 5.482 1.00 0.00 WAT +ATOM 39582 H1 TIP3 11091 -11.920 41.846 5.118 1.00 0.00 WAT +ATOM 39583 H2 TIP3 11091 -10.528 41.363 4.761 1.00 0.00 WAT +ATOM 39584 OH2 TIP3 11092 -22.477 40.935 -4.270 1.00 0.00 WAT +ATOM 39585 H1 TIP3 11092 -21.885 41.552 -3.812 1.00 0.00 WAT +ATOM 39586 H2 TIP3 11092 -23.330 41.127 -3.832 1.00 0.00 WAT +ATOM 39587 OH2 TIP3 11093 -22.207 35.629 8.800 1.00 0.00 WAT +ATOM 39588 H1 TIP3 11093 -23.114 35.899 8.561 1.00 0.00 WAT +ATOM 39589 H2 TIP3 11093 -22.365 34.771 9.232 1.00 0.00 WAT +ATOM 39590 OH2 TIP3 11094 -20.723 -43.879 -2.413 1.00 0.00 WAT +ATOM 39591 H1 TIP3 11094 -21.625 -43.515 -2.303 1.00 0.00 WAT +ATOM 39592 H2 TIP3 11094 -20.243 -43.078 -2.677 1.00 0.00 WAT +ATOM 39593 OH2 TIP3 11095 -13.329 35.503 7.341 1.00 0.00 WAT +ATOM 39594 H1 TIP3 11095 -12.684 35.785 8.007 1.00 0.00 WAT +ATOM 39595 H2 TIP3 11095 -13.757 34.734 7.773 1.00 0.00 WAT +ATOM 39596 OH2 TIP3 11096 -12.635 34.947 -1.376 1.00 0.00 WAT +ATOM 39597 H1 TIP3 11096 -12.436 35.443 -2.186 1.00 0.00 WAT +ATOM 39598 H2 TIP3 11096 -12.131 35.435 -0.706 1.00 0.00 WAT +ATOM 39599 OH2 TIP3 11097 -15.197 36.917 -0.446 1.00 0.00 WAT +ATOM 39600 H1 TIP3 11097 -14.428 37.500 -0.300 1.00 0.00 WAT +ATOM 39601 H2 TIP3 11097 -15.501 36.754 0.468 1.00 0.00 WAT +ATOM 39602 OH2 TIP3 11098 -14.839 37.915 8.697 1.00 0.00 WAT +ATOM 39603 H1 TIP3 11098 -14.798 38.371 9.552 1.00 0.00 WAT +ATOM 39604 H2 TIP3 11098 -14.364 37.095 8.893 1.00 0.00 WAT +ATOM 39605 OH2 TIP3 11099 -14.565 33.971 0.524 1.00 0.00 WAT +ATOM 39606 H1 TIP3 11099 -14.813 34.673 1.152 1.00 0.00 WAT +ATOM 39607 H2 TIP3 11099 -13.864 34.405 -0.002 1.00 0.00 WAT +ATOM 39608 OH2 TIP3 11100 -18.880 34.948 -2.956 1.00 0.00 WAT +ATOM 39609 H1 TIP3 11100 -18.874 35.706 -2.351 1.00 0.00 WAT +ATOM 39610 H2 TIP3 11100 -18.060 34.486 -2.684 1.00 0.00 WAT +ATOM 39611 OH2 TIP3 11101 -8.550 35.847 9.608 1.00 0.00 WAT +ATOM 39612 H1 TIP3 11101 -9.511 35.954 9.462 1.00 0.00 WAT +ATOM 39613 H2 TIP3 11101 -8.295 35.618 8.702 1.00 0.00 WAT +ATOM 39614 OH2 TIP3 11102 -10.040 39.659 3.549 1.00 0.00 WAT +ATOM 39615 H1 TIP3 11102 -10.882 39.207 3.376 1.00 0.00 WAT +ATOM 39616 H2 TIP3 11102 -9.556 38.997 4.087 1.00 0.00 WAT +ATOM 39617 OH2 TIP3 11103 -22.364 37.998 -4.737 1.00 0.00 WAT +ATOM 39618 H1 TIP3 11103 -22.207 38.945 -4.590 1.00 0.00 WAT +ATOM 39619 H2 TIP3 11103 -23.189 38.006 -5.239 1.00 0.00 WAT +ATOM 39620 OH2 TIP3 11104 -21.425 33.063 4.008 1.00 0.00 WAT +ATOM 39621 H1 TIP3 11104 -21.600 33.025 3.045 1.00 0.00 WAT +ATOM 39622 H2 TIP3 11104 -21.754 32.198 4.315 1.00 0.00 WAT +ATOM 39623 OH2 TIP3 11105 -16.935 43.288 11.564 1.00 0.00 WAT +ATOM 39624 H1 TIP3 11105 -16.942 43.415 10.598 1.00 0.00 WAT +ATOM 39625 H2 TIP3 11105 -16.657 42.351 11.628 1.00 0.00 WAT +ATOM 39626 OH2 TIP3 11106 -10.992 -43.759 9.334 1.00 0.00 WAT +ATOM 39627 H1 TIP3 11106 -10.207 -43.308 8.992 1.00 0.00 WAT +ATOM 39628 H2 TIP3 11106 -11.684 -43.117 9.133 1.00 0.00 WAT +ATOM 39629 OH2 TIP3 11107 -17.805 41.602 -3.194 1.00 0.00 WAT +ATOM 39630 H1 TIP3 11107 -18.391 41.153 -2.576 1.00 0.00 WAT +ATOM 39631 H2 TIP3 11107 -17.620 40.908 -3.854 1.00 0.00 WAT +ATOM 39632 OH2 TIP3 11108 -18.490 39.256 8.955 1.00 0.00 WAT +ATOM 39633 H1 TIP3 11108 -19.119 39.896 9.331 1.00 0.00 WAT +ATOM 39634 H2 TIP3 11108 -17.892 39.843 8.455 1.00 0.00 WAT +ATOM 39635 OH2 TIP3 11109 -16.928 39.565 -4.872 1.00 0.00 WAT +ATOM 39636 H1 TIP3 11109 -16.960 39.712 -5.837 1.00 0.00 WAT +ATOM 39637 H2 TIP3 11109 -15.966 39.560 -4.712 1.00 0.00 WAT +ATOM 39638 OH2 TIP3 11110 -13.307 42.162 12.741 1.00 0.00 WAT +ATOM 39639 H1 TIP3 11110 -12.449 41.938 12.364 1.00 0.00 WAT +ATOM 39640 H2 TIP3 11110 -13.666 41.304 12.981 1.00 0.00 WAT +ATOM 39641 OH2 TIP3 11111 -7.623 41.892 -5.653 1.00 0.00 WAT +ATOM 39642 H1 TIP3 11111 -7.713 41.850 -6.617 1.00 0.00 WAT +ATOM 39643 H2 TIP3 11111 -7.603 42.852 -5.461 1.00 0.00 WAT +ATOM 39644 OH2 TIP3 11112 -18.039 36.630 10.298 1.00 0.00 WAT +ATOM 39645 H1 TIP3 11112 -17.972 35.969 9.585 1.00 0.00 WAT +ATOM 39646 H2 TIP3 11112 -18.269 37.435 9.801 1.00 0.00 WAT +ATOM 39647 OH2 TIP3 11113 -17.725 35.129 7.734 1.00 0.00 WAT +ATOM 39648 H1 TIP3 11113 -17.230 35.589 7.034 1.00 0.00 WAT +ATOM 39649 H2 TIP3 11113 -18.643 35.101 7.393 1.00 0.00 WAT +ATOM 39650 OH2 TIP3 11114 -16.226 40.677 7.972 1.00 0.00 WAT +ATOM 39651 H1 TIP3 11114 -15.334 40.594 7.593 1.00 0.00 WAT +ATOM 39652 H2 TIP3 11114 -16.483 41.571 7.707 1.00 0.00 WAT +ATOM 39653 OH2 TIP3 11115 -11.570 38.493 12.927 1.00 0.00 WAT +ATOM 39654 H1 TIP3 11115 -11.379 37.551 13.052 1.00 0.00 WAT +ATOM 39655 H2 TIP3 11115 -10.675 38.863 12.875 1.00 0.00 WAT +ATOM 39656 OH2 TIP3 11116 -10.623 41.370 11.282 1.00 0.00 WAT +ATOM 39657 H1 TIP3 11116 -10.852 42.088 10.648 1.00 0.00 WAT +ATOM 39658 H2 TIP3 11116 -9.718 41.169 10.990 1.00 0.00 WAT +ATOM 39659 OH2 TIP3 11117 -19.669 38.594 12.030 1.00 0.00 WAT +ATOM 39660 H1 TIP3 11117 -20.448 38.024 12.061 1.00 0.00 WAT +ATOM 39661 H2 TIP3 11117 -18.997 38.022 11.645 1.00 0.00 WAT +ATOM 39662 OH2 TIP3 11118 -17.014 32.451 8.131 1.00 0.00 WAT +ATOM 39663 H1 TIP3 11118 -17.221 33.394 7.970 1.00 0.00 WAT +ATOM 39664 H2 TIP3 11118 -17.717 31.991 7.638 1.00 0.00 WAT +ATOM 39665 OH2 TIP3 11119 -15.716 37.018 11.868 1.00 0.00 WAT +ATOM 39666 H1 TIP3 11119 -16.056 36.811 12.756 1.00 0.00 WAT +ATOM 39667 H2 TIP3 11119 -16.519 36.812 11.344 1.00 0.00 WAT +ATOM 39668 OH2 TIP3 11120 -13.194 36.071 10.752 1.00 0.00 WAT +ATOM 39669 H1 TIP3 11120 -14.077 36.115 11.165 1.00 0.00 WAT +ATOM 39670 H2 TIP3 11120 -12.740 35.423 11.324 1.00 0.00 WAT +ATOM 39671 OH2 TIP3 11121 -11.325 34.544 12.477 1.00 0.00 WAT +ATOM 39672 H1 TIP3 11121 -11.499 33.591 12.615 1.00 0.00 WAT +ATOM 39673 H2 TIP3 11121 -11.534 34.937 13.344 1.00 0.00 WAT +ATOM 39674 OH2 TIP3 11122 -21.215 35.946 11.969 1.00 0.00 WAT +ATOM 39675 H1 TIP3 11122 -21.265 35.261 11.287 1.00 0.00 WAT +ATOM 39676 H2 TIP3 11122 -21.421 35.442 12.776 1.00 0.00 WAT +ATOM 39677 OH2 TIP3 11123 -16.981 31.823 10.935 1.00 0.00 WAT +ATOM 39678 H1 TIP3 11123 -16.387 31.046 10.923 1.00 0.00 WAT +ATOM 39679 H2 TIP3 11123 -17.081 31.970 9.976 1.00 0.00 WAT +ATOM 39680 OH2 TIP3 11124 -16.209 33.791 12.784 1.00 0.00 WAT +ATOM 39681 H1 TIP3 11124 -16.457 33.171 12.066 1.00 0.00 WAT +ATOM 39682 H2 TIP3 11124 -16.918 34.453 12.756 1.00 0.00 WAT +ATOM 39683 OH2 TIP3 11125 -6.838 43.586 -1.265 1.00 0.00 WAT +ATOM 39684 H1 TIP3 11125 -5.883 43.645 -1.388 1.00 0.00 WAT +ATOM 39685 H2 TIP3 11125 -6.964 42.760 -0.775 1.00 0.00 WAT +ATOM 39686 OH2 TIP3 11126 -6.445 41.305 0.381 1.00 0.00 WAT +ATOM 39687 H1 TIP3 11126 -7.228 40.882 0.787 1.00 0.00 WAT +ATOM 39688 H2 TIP3 11126 -5.889 41.522 1.151 1.00 0.00 WAT +ATOM 39689 OH2 TIP3 11127 -6.275 40.935 -3.090 1.00 0.00 WAT +ATOM 39690 H1 TIP3 11127 -6.902 41.165 -3.802 1.00 0.00 WAT +ATOM 39691 H2 TIP3 11127 -6.406 41.677 -2.484 1.00 0.00 WAT +ATOM 39692 OH2 TIP3 11128 -7.996 38.425 -4.751 1.00 0.00 WAT +ATOM 39693 H1 TIP3 11128 -7.804 39.067 -5.451 1.00 0.00 WAT +ATOM 39694 H2 TIP3 11128 -8.237 37.623 -5.254 1.00 0.00 WAT +ATOM 39695 OH2 TIP3 11129 -8.718 39.656 1.133 1.00 0.00 WAT +ATOM 39696 H1 TIP3 11129 -8.732 38.694 0.996 1.00 0.00 WAT +ATOM 39697 H2 TIP3 11129 -9.079 39.733 2.042 1.00 0.00 WAT +ATOM 39698 OH2 TIP3 11130 -23.847 41.667 5.013 1.00 0.00 WAT +ATOM 39699 H1 TIP3 11130 -23.690 41.974 4.108 1.00 0.00 WAT +ATOM 39700 H2 TIP3 11130 -23.004 41.824 5.455 1.00 0.00 WAT +ATOM 39701 OH2 TIP3 11131 -7.855 41.599 10.332 1.00 0.00 WAT +ATOM 39702 H1 TIP3 11131 -7.130 41.007 10.615 1.00 0.00 WAT +ATOM 39703 H2 TIP3 11131 -7.420 42.442 10.110 1.00 0.00 WAT +ATOM 39704 OH2 TIP3 11132 -6.438 39.652 11.528 1.00 0.00 WAT +ATOM 39705 H1 TIP3 11132 -7.246 39.127 11.338 1.00 0.00 WAT +ATOM 39706 H2 TIP3 11132 -5.756 38.957 11.557 1.00 0.00 WAT +ATOM 39707 OH2 TIP3 11133 -8.540 35.777 -5.577 1.00 0.00 WAT +ATOM 39708 H1 TIP3 11133 -7.970 35.289 -4.955 1.00 0.00 WAT +ATOM 39709 H2 TIP3 11133 -9.348 35.245 -5.617 1.00 0.00 WAT +ATOM 39710 OH2 TIP3 11134 -8.728 37.060 -0.594 1.00 0.00 WAT +ATOM 39711 H1 TIP3 11134 -8.484 36.111 -0.549 1.00 0.00 WAT +ATOM 39712 H2 TIP3 11134 -7.927 37.424 -1.011 1.00 0.00 WAT +ATOM 39713 OH2 TIP3 11135 -8.516 37.677 4.815 1.00 0.00 WAT +ATOM 39714 H1 TIP3 11135 -7.544 37.789 4.792 1.00 0.00 WAT +ATOM 39715 H2 TIP3 11135 -8.663 37.707 5.776 1.00 0.00 WAT +ATOM 39716 OH2 TIP3 11136 -8.337 38.372 7.648 1.00 0.00 WAT +ATOM 39717 H1 TIP3 11136 -9.201 38.752 7.890 1.00 0.00 WAT +ATOM 39718 H2 TIP3 11136 -7.829 39.173 7.407 1.00 0.00 WAT +ATOM 39719 OH2 TIP3 11137 -23.892 37.134 11.291 1.00 0.00 WAT +ATOM 39720 H1 TIP3 11137 -22.940 36.944 11.353 1.00 0.00 WAT +ATOM 39721 H2 TIP3 11137 -24.277 36.248 11.410 1.00 0.00 WAT +ATOM 39722 OH2 TIP3 11138 -5.779 32.536 12.939 1.00 0.00 WAT +ATOM 39723 H1 TIP3 11138 -5.372 31.836 12.393 1.00 0.00 WAT +ATOM 39724 H2 TIP3 11138 -5.752 33.303 12.336 1.00 0.00 WAT +ATOM 39725 OH2 TIP3 11139 -8.269 34.274 -0.630 1.00 0.00 WAT +ATOM 39726 H1 TIP3 11139 -8.149 33.934 0.276 1.00 0.00 WAT +ATOM 39727 H2 TIP3 11139 -9.063 33.777 -0.918 1.00 0.00 WAT +ATOM 39728 OH2 TIP3 11140 -22.921 35.607 4.139 1.00 0.00 WAT +ATOM 39729 H1 TIP3 11140 -22.550 34.709 4.212 1.00 0.00 WAT +ATOM 39730 H2 TIP3 11140 -22.252 36.128 4.614 1.00 0.00 WAT +ATOM 39731 OH2 TIP3 11141 -24.549 38.157 5.190 1.00 0.00 WAT +ATOM 39732 H1 TIP3 11141 -23.979 38.123 4.411 1.00 0.00 WAT +ATOM 39733 H2 TIP3 11141 -24.248 38.970 5.622 1.00 0.00 WAT +ATOM 39734 OH2 TIP3 11142 -6.404 34.578 11.172 1.00 0.00 WAT +ATOM 39735 H1 TIP3 11142 -7.287 34.988 11.221 1.00 0.00 WAT +ATOM 39736 H2 TIP3 11142 -6.520 34.023 10.379 1.00 0.00 WAT +ATOM 39737 OH2 TIP3 11143 -6.311 34.757 -3.971 1.00 0.00 WAT +ATOM 39738 H1 TIP3 11143 -5.993 33.946 -4.404 1.00 0.00 WAT +ATOM 39739 H2 TIP3 11143 -5.493 35.274 -3.886 1.00 0.00 WAT +ATOM 39740 OH2 TIP3 11144 -24.053 34.496 -0.765 1.00 0.00 WAT +ATOM 39741 H1 TIP3 11144 -24.998 34.529 -0.993 1.00 0.00 WAT +ATOM 39742 H2 TIP3 11144 -23.643 35.087 -1.427 1.00 0.00 WAT +ATOM 39743 OH2 TIP3 11145 -24.002 33.378 7.369 1.00 0.00 WAT +ATOM 39744 H1 TIP3 11145 -24.709 33.097 7.964 1.00 0.00 WAT +ATOM 39745 H2 TIP3 11145 -24.502 33.893 6.709 1.00 0.00 WAT +ATOM 39746 OH2 TIP3 11146 -7.542 32.783 9.146 1.00 0.00 WAT +ATOM 39747 H1 TIP3 11146 -8.344 32.994 8.637 1.00 0.00 WAT +ATOM 39748 H2 TIP3 11146 -7.349 31.879 8.818 1.00 0.00 WAT +ATOM 39749 OH2 TIP3 11147 -14.159 34.312 3.627 1.00 0.00 WAT +ATOM 39750 H1 TIP3 11147 -14.820 33.615 3.794 1.00 0.00 WAT +ATOM 39751 H2 TIP3 11147 -13.547 33.855 3.028 1.00 0.00 WAT +ATOM 39752 OH2 TIP3 11148 -9.194 32.246 4.120 1.00 0.00 WAT +ATOM 39753 H1 TIP3 11148 -8.414 32.674 3.727 1.00 0.00 WAT +ATOM 39754 H2 TIP3 11148 -9.916 32.556 3.552 1.00 0.00 WAT +ATOM 39755 OH2 TIP3 11149 -7.086 33.405 1.946 1.00 0.00 WAT +ATOM 39756 H1 TIP3 11149 -6.382 32.973 1.429 1.00 0.00 WAT +ATOM 39757 H2 TIP3 11149 -6.739 34.313 2.044 1.00 0.00 WAT +ATOM 39758 OH2 TIP3 11150 -21.776 33.007 1.194 1.00 0.00 WAT +ATOM 39759 H1 TIP3 11150 -22.628 32.873 0.736 1.00 0.00 WAT +ATOM 39760 H2 TIP3 11150 -21.344 32.145 1.039 1.00 0.00 WAT +ATOM 39761 OH2 TIP3 11151 -22.950 32.495 -2.947 1.00 0.00 WAT +ATOM 39762 H1 TIP3 11151 -22.433 33.152 -3.452 1.00 0.00 WAT +ATOM 39763 H2 TIP3 11151 -23.353 33.043 -2.255 1.00 0.00 WAT +ATOM 39764 OH2 TIP3 11152 -17.316 32.883 1.067 1.00 0.00 WAT +ATOM 39765 H1 TIP3 11152 -16.382 33.071 0.880 1.00 0.00 WAT +ATOM 39766 H2 TIP3 11152 -17.281 32.667 2.006 1.00 0.00 WAT +ATOM 39767 OH2 TIP3 11153 -11.781 32.671 2.514 1.00 0.00 WAT +ATOM 39768 H1 TIP3 11153 -11.468 32.655 1.600 1.00 0.00 WAT +ATOM 39769 H2 TIP3 11153 -11.933 31.733 2.679 1.00 0.00 WAT +ATOM 39770 OH2 TIP3 11154 -10.590 32.884 -1.535 1.00 0.00 WAT +ATOM 39771 H1 TIP3 11154 -11.419 33.365 -1.714 1.00 0.00 WAT +ATOM 39772 H2 TIP3 11154 -10.923 31.979 -1.400 1.00 0.00 WAT +ATOM 39773 OH2 TIP3 11155 -21.237 34.303 -4.493 1.00 0.00 WAT +ATOM 39774 H1 TIP3 11155 -20.615 33.774 -5.021 1.00 0.00 WAT +ATOM 39775 H2 TIP3 11155 -20.642 34.652 -3.801 1.00 0.00 WAT +ATOM 39776 OH2 TIP3 11156 -16.174 34.514 -1.893 1.00 0.00 WAT +ATOM 39777 H1 TIP3 11156 -15.824 33.892 -1.238 1.00 0.00 WAT +ATOM 39778 H2 TIP3 11156 -15.909 35.358 -1.494 1.00 0.00 WAT +ATOM 39779 OH2 TIP3 11157 -21.976 33.245 10.716 1.00 0.00 WAT +ATOM 39780 H1 TIP3 11157 -22.347 32.417 11.068 1.00 0.00 WAT +ATOM 39781 H2 TIP3 11157 -21.041 33.141 10.956 1.00 0.00 WAT +ATOM 39782 OH2 TIP3 11158 -19.524 32.602 12.408 1.00 0.00 WAT +ATOM 39783 H1 TIP3 11158 -18.693 32.243 12.039 1.00 0.00 WAT +ATOM 39784 H2 TIP3 11158 -19.878 31.811 12.838 1.00 0.00 WAT +ATOM 39785 OH2 TIP3 11159 -11.456 31.740 12.597 1.00 0.00 WAT +ATOM 39786 H1 TIP3 11159 -11.420 31.326 13.480 1.00 0.00 WAT +ATOM 39787 H2 TIP3 11159 -10.517 31.725 12.335 1.00 0.00 WAT +ATOM 39788 OH2 TIP3 11160 4.917 41.226 4.289 1.00 0.00 WAT +ATOM 39789 H1 TIP3 11160 4.957 41.025 5.239 1.00 0.00 WAT +ATOM 39790 H2 TIP3 11160 4.625 40.366 3.945 1.00 0.00 WAT +ATOM 39791 OH2 TIP3 11161 -2.615 40.813 6.133 1.00 0.00 WAT +ATOM 39792 H1 TIP3 11161 -2.643 40.066 6.757 1.00 0.00 WAT +ATOM 39793 H2 TIP3 11161 -1.908 41.345 6.520 1.00 0.00 WAT +ATOM 39794 OH2 TIP3 11162 -4.922 38.862 0.072 1.00 0.00 WAT +ATOM 39795 H1 TIP3 11162 -5.369 39.724 0.137 1.00 0.00 WAT +ATOM 39796 H2 TIP3 11162 -5.613 38.320 -0.326 1.00 0.00 WAT +ATOM 39797 OH2 TIP3 11163 -3.960 41.360 1.956 1.00 0.00 WAT +ATOM 39798 H1 TIP3 11163 -3.990 40.546 2.496 1.00 0.00 WAT +ATOM 39799 H2 TIP3 11163 -3.189 41.169 1.409 1.00 0.00 WAT +ATOM 39800 OH2 TIP3 11164 12.118 35.225 5.716 1.00 0.00 WAT +ATOM 39801 H1 TIP3 11164 12.356 35.841 6.429 1.00 0.00 WAT +ATOM 39802 H2 TIP3 11164 12.729 35.519 5.014 1.00 0.00 WAT +ATOM 39803 OH2 TIP3 11165 6.763 38.046 5.596 1.00 0.00 WAT +ATOM 39804 H1 TIP3 11165 6.894 37.085 5.661 1.00 0.00 WAT +ATOM 39805 H2 TIP3 11165 6.650 38.160 4.641 1.00 0.00 WAT +ATOM 39806 OH2 TIP3 11166 -0.276 36.059 2.666 1.00 0.00 WAT +ATOM 39807 H1 TIP3 11166 -0.146 36.909 2.203 1.00 0.00 WAT +ATOM 39808 H2 TIP3 11166 -0.627 35.522 1.929 1.00 0.00 WAT +ATOM 39809 OH2 TIP3 11167 7.579 36.233 0.985 1.00 0.00 WAT +ATOM 39810 H1 TIP3 11167 8.153 35.795 1.651 1.00 0.00 WAT +ATOM 39811 H2 TIP3 11167 8.246 36.665 0.431 1.00 0.00 WAT +ATOM 39812 OH2 TIP3 11168 -3.602 38.777 3.175 1.00 0.00 WAT +ATOM 39813 H1 TIP3 11168 -2.973 38.301 3.742 1.00 0.00 WAT +ATOM 39814 H2 TIP3 11168 -3.508 38.289 2.336 1.00 0.00 WAT +ATOM 39815 OH2 TIP3 11169 1.895 40.229 2.638 1.00 0.00 WAT +ATOM 39816 H1 TIP3 11169 2.509 39.595 3.061 1.00 0.00 WAT +ATOM 39817 H2 TIP3 11169 1.312 39.620 2.146 1.00 0.00 WAT +ATOM 39818 OH2 TIP3 11170 12.853 36.603 8.207 1.00 0.00 WAT +ATOM 39819 H1 TIP3 11170 12.264 37.320 7.909 1.00 0.00 WAT +ATOM 39820 H2 TIP3 11170 12.619 36.562 9.144 1.00 0.00 WAT +ATOM 39821 OH2 TIP3 11171 -1.474 34.847 6.825 1.00 0.00 WAT +ATOM 39822 H1 TIP3 11171 -1.887 35.345 6.103 1.00 0.00 WAT +ATOM 39823 H2 TIP3 11171 -2.132 34.979 7.536 1.00 0.00 WAT +ATOM 39824 OH2 TIP3 11172 1.261 42.665 6.560 1.00 0.00 WAT +ATOM 39825 H1 TIP3 11172 0.417 43.137 6.645 1.00 0.00 WAT +ATOM 39826 H2 TIP3 11172 1.868 43.412 6.666 1.00 0.00 WAT +ATOM 39827 OH2 TIP3 11173 9.397 35.469 3.015 1.00 0.00 WAT +ATOM 39828 H1 TIP3 11173 9.018 34.861 3.662 1.00 0.00 WAT +ATOM 39829 H2 TIP3 11173 9.921 36.061 3.583 1.00 0.00 WAT +ATOM 39830 OH2 TIP3 11174 -1.882 36.890 4.763 1.00 0.00 WAT +ATOM 39831 H1 TIP3 11174 -1.236 37.455 5.237 1.00 0.00 WAT +ATOM 39832 H2 TIP3 11174 -1.304 36.521 4.058 1.00 0.00 WAT +ATOM 39833 OH2 TIP3 11175 9.531 34.630 6.865 1.00 0.00 WAT +ATOM 39834 H1 TIP3 11175 8.760 35.011 6.407 1.00 0.00 WAT +ATOM 39835 H2 TIP3 11175 10.254 34.802 6.233 1.00 0.00 WAT +ATOM 39836 OH2 TIP3 11176 2.664 32.338 3.918 1.00 0.00 WAT +ATOM 39837 H1 TIP3 11176 2.437 31.390 3.863 1.00 0.00 WAT +ATOM 39838 H2 TIP3 11176 1.837 32.716 4.287 1.00 0.00 WAT +ATOM 39839 OH2 TIP3 11177 4.657 41.484 -1.172 1.00 0.00 WAT +ATOM 39840 H1 TIP3 11177 4.020 41.983 -1.716 1.00 0.00 WAT +ATOM 39841 H2 TIP3 11177 5.422 41.469 -1.767 1.00 0.00 WAT +ATOM 39842 OH2 TIP3 11178 5.051 39.407 -4.129 1.00 0.00 WAT +ATOM 39843 H1 TIP3 11178 5.777 39.808 -3.619 1.00 0.00 WAT +ATOM 39844 H2 TIP3 11178 5.539 38.930 -4.812 1.00 0.00 WAT +ATOM 39845 OH2 TIP3 11179 12.158 40.546 6.895 1.00 0.00 WAT +ATOM 39846 H1 TIP3 11179 11.516 41.275 7.036 1.00 0.00 WAT +ATOM 39847 H2 TIP3 11179 12.677 40.942 6.164 1.00 0.00 WAT +ATOM 39848 OH2 TIP3 11180 8.180 41.558 -0.129 1.00 0.00 WAT +ATOM 39849 H1 TIP3 11180 7.394 41.414 0.404 1.00 0.00 WAT +ATOM 39850 H2 TIP3 11180 8.840 40.972 0.287 1.00 0.00 WAT +ATOM 39851 OH2 TIP3 11181 8.078 39.806 8.594 1.00 0.00 WAT +ATOM 39852 H1 TIP3 11181 8.120 40.568 9.194 1.00 0.00 WAT +ATOM 39853 H2 TIP3 11181 7.524 40.185 7.890 1.00 0.00 WAT +ATOM 39854 OH2 TIP3 11182 -0.266 41.997 1.594 1.00 0.00 WAT +ATOM 39855 H1 TIP3 11182 -0.420 41.751 0.661 1.00 0.00 WAT +ATOM 39856 H2 TIP3 11182 0.589 41.573 1.768 1.00 0.00 WAT +ATOM 39857 OH2 TIP3 11183 0.434 40.650 5.001 1.00 0.00 WAT +ATOM 39858 H1 TIP3 11183 1.000 40.746 4.211 1.00 0.00 WAT +ATOM 39859 H2 TIP3 11183 0.715 41.409 5.554 1.00 0.00 WAT +ATOM 39860 OH2 TIP3 11184 7.216 40.739 -2.651 1.00 0.00 WAT +ATOM 39861 H1 TIP3 11184 7.810 41.062 -1.946 1.00 0.00 WAT +ATOM 39862 H2 TIP3 11184 7.615 41.195 -3.436 1.00 0.00 WAT +ATOM 39863 OH2 TIP3 11185 -1.727 41.474 8.864 1.00 0.00 WAT +ATOM 39864 H1 TIP3 11185 -1.613 42.103 9.614 1.00 0.00 WAT +ATOM 39865 H2 TIP3 11185 -2.697 41.407 8.842 1.00 0.00 WAT +ATOM 39866 OH2 TIP3 11186 10.656 32.465 -3.279 1.00 0.00 WAT +ATOM 39867 H1 TIP3 11186 9.786 32.561 -2.852 1.00 0.00 WAT +ATOM 39868 H2 TIP3 11186 11.011 33.366 -3.217 1.00 0.00 WAT +ATOM 39869 OH2 TIP3 11187 -1.256 40.903 -0.883 1.00 0.00 WAT +ATOM 39870 H1 TIP3 11187 -1.423 41.676 -1.463 1.00 0.00 WAT +ATOM 39871 H2 TIP3 11187 -1.857 40.239 -1.242 1.00 0.00 WAT +ATOM 39872 OH2 TIP3 11188 -5.193 43.101 7.883 1.00 0.00 WAT +ATOM 39873 H1 TIP3 11188 -5.281 42.905 6.938 1.00 0.00 WAT +ATOM 39874 H2 TIP3 11188 -4.944 42.232 8.254 1.00 0.00 WAT +ATOM 39875 OH2 TIP3 11189 10.063 38.373 10.934 1.00 0.00 WAT +ATOM 39876 H1 TIP3 11189 9.575 38.753 10.191 1.00 0.00 WAT +ATOM 39877 H2 TIP3 11189 10.125 37.437 10.660 1.00 0.00 WAT +ATOM 39878 OH2 TIP3 11190 0.238 33.492 4.826 1.00 0.00 WAT +ATOM 39879 H1 TIP3 11190 -0.577 33.418 4.299 1.00 0.00 WAT +ATOM 39880 H2 TIP3 11190 -0.014 34.211 5.426 1.00 0.00 WAT +ATOM 39881 OH2 TIP3 11191 4.606 33.072 8.476 1.00 0.00 WAT +ATOM 39882 H1 TIP3 11191 5.135 32.536 9.100 1.00 0.00 WAT +ATOM 39883 H2 TIP3 11191 3.704 32.719 8.597 1.00 0.00 WAT +ATOM 39884 OH2 TIP3 11192 7.770 36.853 8.984 1.00 0.00 WAT +ATOM 39885 H1 TIP3 11192 7.161 36.699 9.730 1.00 0.00 WAT +ATOM 39886 H2 TIP3 11192 7.690 37.810 8.824 1.00 0.00 WAT +ATOM 39887 OH2 TIP3 11193 8.557 41.726 -4.756 1.00 0.00 WAT +ATOM 39888 H1 TIP3 11193 8.506 41.587 -5.717 1.00 0.00 WAT +ATOM 39889 H2 TIP3 11193 9.432 42.153 -4.667 1.00 0.00 WAT +ATOM 39890 OH2 TIP3 11194 4.417 35.569 -4.262 1.00 0.00 WAT +ATOM 39891 H1 TIP3 11194 3.918 35.440 -3.443 1.00 0.00 WAT +ATOM 39892 H2 TIP3 11194 4.003 34.898 -4.832 1.00 0.00 WAT +ATOM 39893 OH2 TIP3 11195 0.103 38.232 6.269 1.00 0.00 WAT +ATOM 39894 H1 TIP3 11195 -0.515 38.369 7.007 1.00 0.00 WAT +ATOM 39895 H2 TIP3 11195 0.179 39.135 5.885 1.00 0.00 WAT +ATOM 39896 OH2 TIP3 11196 0.046 38.367 1.105 1.00 0.00 WAT +ATOM 39897 H1 TIP3 11196 -0.911 38.277 0.948 1.00 0.00 WAT +ATOM 39898 H2 TIP3 11196 0.390 38.156 0.214 1.00 0.00 WAT +ATOM 39899 OH2 TIP3 11197 5.706 39.056 -0.041 1.00 0.00 WAT +ATOM 39900 H1 TIP3 11197 5.195 39.781 -0.458 1.00 0.00 WAT +ATOM 39901 H2 TIP3 11197 6.302 38.794 -0.766 1.00 0.00 WAT +ATOM 39902 OH2 TIP3 11198 4.834 39.216 11.340 1.00 0.00 WAT +ATOM 39903 H1 TIP3 11198 4.339 38.429 11.644 1.00 0.00 WAT +ATOM 39904 H2 TIP3 11198 5.727 39.041 11.692 1.00 0.00 WAT +ATOM 39905 OH2 TIP3 11199 6.495 38.310 2.621 1.00 0.00 WAT +ATOM 39906 H1 TIP3 11199 6.201 38.787 1.818 1.00 0.00 WAT +ATOM 39907 H2 TIP3 11199 6.754 37.464 2.204 1.00 0.00 WAT +ATOM 39908 OH2 TIP3 11200 -2.516 38.412 8.027 1.00 0.00 WAT +ATOM 39909 H1 TIP3 11200 -2.310 38.782 8.893 1.00 0.00 WAT +ATOM 39910 H2 TIP3 11200 -2.880 37.541 8.266 1.00 0.00 WAT +ATOM 39911 OH2 TIP3 11201 0.853 36.018 -5.364 1.00 0.00 WAT +ATOM 39912 H1 TIP3 11201 0.488 35.666 -4.527 1.00 0.00 WAT +ATOM 39913 H2 TIP3 11201 0.057 36.166 -5.888 1.00 0.00 WAT +ATOM 39914 OH2 TIP3 11202 -5.712 35.918 1.707 1.00 0.00 WAT +ATOM 39915 H1 TIP3 11202 -5.106 35.872 2.470 1.00 0.00 WAT +ATOM 39916 H2 TIP3 11202 -5.209 35.502 0.990 1.00 0.00 WAT +ATOM 39917 OH2 TIP3 11203 -4.125 36.335 -2.574 1.00 0.00 WAT +ATOM 39918 H1 TIP3 11203 -3.585 36.816 -3.235 1.00 0.00 WAT +ATOM 39919 H2 TIP3 11203 -4.826 36.987 -2.402 1.00 0.00 WAT +ATOM 39920 OH2 TIP3 11204 5.459 39.998 7.069 1.00 0.00 WAT +ATOM 39921 H1 TIP3 11204 5.986 39.318 6.593 1.00 0.00 WAT +ATOM 39922 H2 TIP3 11204 5.197 39.496 7.856 1.00 0.00 WAT +ATOM 39923 OH2 TIP3 11205 2.818 35.978 2.162 1.00 0.00 WAT +ATOM 39924 H1 TIP3 11205 1.871 35.899 2.367 1.00 0.00 WAT +ATOM 39925 H2 TIP3 11205 3.223 35.714 3.007 1.00 0.00 WAT +ATOM 39926 OH2 TIP3 11206 -2.626 37.171 0.819 1.00 0.00 WAT +ATOM 39927 H1 TIP3 11206 -3.438 37.429 0.349 1.00 0.00 WAT +ATOM 39928 H2 TIP3 11206 -2.337 36.370 0.342 1.00 0.00 WAT +ATOM 39929 OH2 TIP3 11207 1.004 37.520 -1.492 1.00 0.00 WAT +ATOM 39930 H1 TIP3 11207 1.974 37.582 -1.462 1.00 0.00 WAT +ATOM 39931 H2 TIP3 11207 0.757 38.095 -2.237 1.00 0.00 WAT +ATOM 39932 OH2 TIP3 11208 7.190 35.081 5.163 1.00 0.00 WAT +ATOM 39933 H1 TIP3 11208 6.547 35.081 5.905 1.00 0.00 WAT +ATOM 39934 H2 TIP3 11208 6.623 34.734 4.454 1.00 0.00 WAT +ATOM 39935 OH2 TIP3 11209 -0.545 38.769 -3.718 1.00 0.00 WAT +ATOM 39936 H1 TIP3 11209 -1.113 38.453 -4.436 1.00 0.00 WAT +ATOM 39937 H2 TIP3 11209 0.274 38.975 -4.205 1.00 0.00 WAT +ATOM 39938 OH2 TIP3 11210 -1.615 43.161 10.936 1.00 0.00 WAT +ATOM 39939 H1 TIP3 11210 -1.061 43.652 11.576 1.00 0.00 WAT +ATOM 39940 H2 TIP3 11210 -2.427 43.037 11.474 1.00 0.00 WAT +ATOM 39941 OH2 TIP3 11211 3.857 38.554 3.988 1.00 0.00 WAT +ATOM 39942 H1 TIP3 11211 4.527 38.045 3.506 1.00 0.00 WAT +ATOM 39943 H2 TIP3 11211 3.652 37.947 4.730 1.00 0.00 WAT +ATOM 39944 OH2 TIP3 11212 -0.906 34.867 0.157 1.00 0.00 WAT +ATOM 39945 H1 TIP3 11212 -1.449 34.071 0.280 1.00 0.00 WAT +ATOM 39946 H2 TIP3 11212 -0.099 34.504 -0.236 1.00 0.00 WAT +ATOM 39947 OH2 TIP3 11213 2.810 36.980 6.170 1.00 0.00 WAT +ATOM 39948 H1 TIP3 11213 2.004 37.519 6.241 1.00 0.00 WAT +ATOM 39949 H2 TIP3 11213 3.298 37.201 6.987 1.00 0.00 WAT +ATOM 39950 OH2 TIP3 11214 2.778 -43.309 -2.056 1.00 0.00 WAT +ATOM 39951 H1 TIP3 11214 2.082 -43.907 -2.378 1.00 0.00 WAT +ATOM 39952 H2 TIP3 11214 2.674 -43.293 -1.100 1.00 0.00 WAT +ATOM 39953 OH2 TIP3 11215 10.399 42.657 6.787 1.00 0.00 WAT +ATOM 39954 H1 TIP3 11215 10.682 43.106 5.971 1.00 0.00 WAT +ATOM 39955 H2 TIP3 11215 9.449 42.580 6.586 1.00 0.00 WAT +ATOM 39956 OH2 TIP3 11216 7.095 36.160 -4.114 1.00 0.00 WAT +ATOM 39957 H1 TIP3 11216 6.112 36.138 -4.162 1.00 0.00 WAT +ATOM 39958 H2 TIP3 11216 7.271 36.896 -3.496 1.00 0.00 WAT +ATOM 39959 OH2 TIP3 11217 7.767 37.978 -2.023 1.00 0.00 WAT +ATOM 39960 H1 TIP3 11217 8.657 37.809 -1.656 1.00 0.00 WAT +ATOM 39961 H2 TIP3 11217 7.882 38.838 -2.465 1.00 0.00 WAT +ATOM 39962 OH2 TIP3 11218 -1.614 42.520 3.872 1.00 0.00 WAT +ATOM 39963 H1 TIP3 11218 -1.088 42.395 3.050 1.00 0.00 WAT +ATOM 39964 H2 TIP3 11218 -1.591 41.628 4.247 1.00 0.00 WAT +ATOM 39965 OH2 TIP3 11219 -4.616 40.789 9.159 1.00 0.00 WAT +ATOM 39966 H1 TIP3 11219 -4.520 40.416 10.056 1.00 0.00 WAT +ATOM 39967 H2 TIP3 11219 -5.357 40.284 8.786 1.00 0.00 WAT +ATOM 39968 OH2 TIP3 11220 2.291 40.508 11.197 1.00 0.00 WAT +ATOM 39969 H1 TIP3 11220 1.942 40.265 10.323 1.00 0.00 WAT +ATOM 39970 H2 TIP3 11220 3.231 40.269 11.100 1.00 0.00 WAT +ATOM 39971 OH2 TIP3 11221 12.354 37.977 -2.325 1.00 0.00 WAT +ATOM 39972 H1 TIP3 11221 11.807 37.787 -3.114 1.00 0.00 WAT +ATOM 39973 H2 TIP3 11221 12.484 38.934 -2.467 1.00 0.00 WAT +ATOM 39974 OH2 TIP3 11222 7.829 41.855 5.414 1.00 0.00 WAT +ATOM 39975 H1 TIP3 11222 6.922 41.730 5.110 1.00 0.00 WAT +ATOM 39976 H2 TIP3 11222 8.342 41.325 4.782 1.00 0.00 WAT +ATOM 39977 OH2 TIP3 11223 -3.629 40.942 -4.280 1.00 0.00 WAT +ATOM 39978 H1 TIP3 11223 -3.041 41.554 -3.811 1.00 0.00 WAT +ATOM 39979 H2 TIP3 11223 -4.482 41.118 -3.833 1.00 0.00 WAT +ATOM 39980 OH2 TIP3 11224 -3.362 35.655 8.831 1.00 0.00 WAT +ATOM 39981 H1 TIP3 11224 -4.268 35.892 8.549 1.00 0.00 WAT +ATOM 39982 H2 TIP3 11224 -3.504 34.773 9.219 1.00 0.00 WAT +ATOM 39983 OH2 TIP3 11225 -1.855 -43.867 -2.413 1.00 0.00 WAT +ATOM 39984 H1 TIP3 11225 -2.767 -43.527 -2.300 1.00 0.00 WAT +ATOM 39985 H2 TIP3 11225 -1.408 -43.059 -2.709 1.00 0.00 WAT +ATOM 39986 OH2 TIP3 11226 5.599 35.491 7.361 1.00 0.00 WAT +ATOM 39987 H1 TIP3 11226 6.226 35.755 8.051 1.00 0.00 WAT +ATOM 39988 H2 TIP3 11226 5.122 34.745 7.776 1.00 0.00 WAT +ATOM 39989 OH2 TIP3 11227 6.236 34.936 -1.379 1.00 0.00 WAT +ATOM 39990 H1 TIP3 11227 6.430 35.448 -2.181 1.00 0.00 WAT +ATOM 39991 H2 TIP3 11227 6.723 35.430 -0.698 1.00 0.00 WAT +ATOM 39992 OH2 TIP3 11228 3.667 36.929 -0.432 1.00 0.00 WAT +ATOM 39993 H1 TIP3 11228 4.443 37.496 -0.278 1.00 0.00 WAT +ATOM 39994 H2 TIP3 11228 3.361 36.754 0.479 1.00 0.00 WAT +ATOM 39995 OH2 TIP3 11229 4.068 37.917 8.739 1.00 0.00 WAT +ATOM 39996 H1 TIP3 11229 4.110 38.394 9.583 1.00 0.00 WAT +ATOM 39997 H2 TIP3 11229 4.544 37.103 8.951 1.00 0.00 WAT +ATOM 39998 OH2 TIP3 11230 4.250 33.938 0.503 1.00 0.00 WAT +ATOM 39999 H1 TIP3 11230 4.066 34.627 1.168 1.00 0.00 WAT +ATOM 40000 H2 TIP3 11230 4.978 34.351 -0.005 1.00 0.00 WAT +ATOM 40001 OH2 TIP3 11231 -0.023 34.945 -2.968 1.00 0.00 WAT +ATOM 40002 H1 TIP3 11231 -0.003 35.701 -2.358 1.00 0.00 WAT +ATOM 40003 H2 TIP3 11231 0.785 34.464 -2.697 1.00 0.00 WAT +ATOM 40004 OH2 TIP3 11232 10.307 35.847 9.610 1.00 0.00 WAT +ATOM 40005 H1 TIP3 11232 9.347 35.963 9.460 1.00 0.00 WAT +ATOM 40006 H2 TIP3 11232 10.562 35.617 8.704 1.00 0.00 WAT +ATOM 40007 OH2 TIP3 11233 8.819 39.675 3.573 1.00 0.00 WAT +ATOM 40008 H1 TIP3 11233 8.004 39.186 3.364 1.00 0.00 WAT +ATOM 40009 H2 TIP3 11233 9.323 39.013 4.094 1.00 0.00 WAT +ATOM 40010 OH2 TIP3 11234 -3.496 38.001 -4.754 1.00 0.00 WAT +ATOM 40011 H1 TIP3 11234 -3.352 38.948 -4.588 1.00 0.00 WAT +ATOM 40012 H2 TIP3 11234 -4.339 38.004 -5.223 1.00 0.00 WAT +ATOM 40013 OH2 TIP3 11235 -2.557 33.032 3.991 1.00 0.00 WAT +ATOM 40014 H1 TIP3 11235 -2.753 32.995 3.032 1.00 0.00 WAT +ATOM 40015 H2 TIP3 11235 -2.893 32.170 4.302 1.00 0.00 WAT +ATOM 40016 OH2 TIP3 11236 -4.057 43.060 12.075 1.00 0.00 WAT +ATOM 40017 H1 TIP3 11236 -4.274 42.110 12.082 1.00 0.00 WAT +ATOM 40018 H2 TIP3 11236 -4.864 43.494 11.785 1.00 0.00 WAT +ATOM 40019 OH2 TIP3 11237 1.854 43.291 11.583 1.00 0.00 WAT +ATOM 40020 H1 TIP3 11237 1.860 43.450 10.620 1.00 0.00 WAT +ATOM 40021 H2 TIP3 11237 2.190 42.373 11.626 1.00 0.00 WAT +ATOM 40022 OH2 TIP3 11238 7.860 -43.764 9.326 1.00 0.00 WAT +ATOM 40023 H1 TIP3 11238 8.659 -43.328 8.996 1.00 0.00 WAT +ATOM 40024 H2 TIP3 11238 7.190 -43.093 9.148 1.00 0.00 WAT +ATOM 40025 OH2 TIP3 11239 -3.484 40.240 11.779 1.00 0.00 WAT +ATOM 40026 H1 TIP3 11239 -2.707 39.659 11.710 1.00 0.00 WAT +ATOM 40027 H2 TIP3 11239 -3.474 40.447 12.731 1.00 0.00 WAT +ATOM 40028 OH2 TIP3 11240 1.090 41.613 -3.035 1.00 0.00 WAT +ATOM 40029 H1 TIP3 11240 0.403 41.145 -2.547 1.00 0.00 WAT +ATOM 40030 H2 TIP3 11240 1.271 41.002 -3.773 1.00 0.00 WAT +ATOM 40031 OH2 TIP3 11241 0.253 39.334 9.195 1.00 0.00 WAT +ATOM 40032 H1 TIP3 11241 -0.332 40.100 9.347 1.00 0.00 WAT +ATOM 40033 H2 TIP3 11241 0.872 39.690 8.535 1.00 0.00 WAT +ATOM 40034 OH2 TIP3 11242 1.915 39.571 -4.878 1.00 0.00 WAT +ATOM 40035 H1 TIP3 11242 1.899 39.717 -5.843 1.00 0.00 WAT +ATOM 40036 H2 TIP3 11242 2.872 39.587 -4.696 1.00 0.00 WAT +ATOM 40037 OH2 TIP3 11243 5.542 42.155 12.754 1.00 0.00 WAT +ATOM 40038 H1 TIP3 11243 6.402 41.958 12.366 1.00 0.00 WAT +ATOM 40039 H2 TIP3 11243 5.191 41.284 12.949 1.00 0.00 WAT +ATOM 40040 OH2 TIP3 11244 11.255 41.893 -5.669 1.00 0.00 WAT +ATOM 40041 H1 TIP3 11244 11.130 41.867 -6.631 1.00 0.00 WAT +ATOM 40042 H2 TIP3 11244 11.239 42.847 -5.452 1.00 0.00 WAT +ATOM 40043 OH2 TIP3 11245 0.816 36.634 10.298 1.00 0.00 WAT +ATOM 40044 H1 TIP3 11245 0.873 35.974 9.582 1.00 0.00 WAT +ATOM 40045 H2 TIP3 11245 0.605 37.443 9.799 1.00 0.00 WAT +ATOM 40046 OH2 TIP3 11246 1.141 35.115 7.747 1.00 0.00 WAT +ATOM 40047 H1 TIP3 11246 1.652 35.618 7.087 1.00 0.00 WAT +ATOM 40048 H2 TIP3 11246 0.230 35.132 7.385 1.00 0.00 WAT +ATOM 40049 OH2 TIP3 11247 2.637 40.661 8.059 1.00 0.00 WAT +ATOM 40050 H1 TIP3 11247 3.482 40.533 7.596 1.00 0.00 WAT +ATOM 40051 H2 TIP3 11247 2.303 41.482 7.660 1.00 0.00 WAT +ATOM 40052 OH2 TIP3 11248 7.290 38.492 12.945 1.00 0.00 WAT +ATOM 40053 H1 TIP3 11248 7.493 37.548 13.032 1.00 0.00 WAT +ATOM 40054 H2 TIP3 11248 8.181 38.869 12.871 1.00 0.00 WAT +ATOM 40055 OH2 TIP3 11249 8.227 41.363 11.275 1.00 0.00 WAT +ATOM 40056 H1 TIP3 11249 8.004 42.085 10.643 1.00 0.00 WAT +ATOM 40057 H2 TIP3 11249 9.145 41.183 11.006 1.00 0.00 WAT +ATOM 40058 OH2 TIP3 11250 -1.036 38.507 12.090 1.00 0.00 WAT +ATOM 40059 H1 TIP3 11250 -1.539 37.672 12.080 1.00 0.00 WAT +ATOM 40060 H2 TIP3 11250 -0.214 38.241 11.650 1.00 0.00 WAT +ATOM 40061 OH2 TIP3 11251 1.862 32.436 8.102 1.00 0.00 WAT +ATOM 40062 H1 TIP3 11251 1.682 33.385 7.936 1.00 0.00 WAT +ATOM 40063 H2 TIP3 11251 1.169 32.011 7.561 1.00 0.00 WAT +ATOM 40064 OH2 TIP3 11252 3.135 37.022 11.878 1.00 0.00 WAT +ATOM 40065 H1 TIP3 11252 2.786 36.801 12.760 1.00 0.00 WAT +ATOM 40066 H2 TIP3 11252 2.341 36.817 11.339 1.00 0.00 WAT +ATOM 40067 OH2 TIP3 11253 5.666 36.077 10.759 1.00 0.00 WAT +ATOM 40068 H1 TIP3 11253 4.782 36.107 11.169 1.00 0.00 WAT +ATOM 40069 H2 TIP3 11253 6.125 35.425 11.324 1.00 0.00 WAT +ATOM 40070 OH2 TIP3 11254 7.509 34.547 12.475 1.00 0.00 WAT +ATOM 40071 H1 TIP3 11254 7.367 33.589 12.618 1.00 0.00 WAT +ATOM 40072 H2 TIP3 11254 7.327 34.932 13.351 1.00 0.00 WAT +ATOM 40073 OH2 TIP3 11255 -2.315 35.942 11.931 1.00 0.00 WAT +ATOM 40074 H1 TIP3 11255 -2.396 35.243 11.262 1.00 0.00 WAT +ATOM 40075 H2 TIP3 11255 -2.543 35.457 12.746 1.00 0.00 WAT +ATOM 40076 OH2 TIP3 11256 1.709 31.924 10.917 1.00 0.00 WAT +ATOM 40077 H1 TIP3 11256 2.297 31.152 10.967 1.00 0.00 WAT +ATOM 40078 H2 TIP3 11256 1.677 32.065 9.950 1.00 0.00 WAT +ATOM 40079 OH2 TIP3 11257 2.652 33.794 12.766 1.00 0.00 WAT +ATOM 40080 H1 TIP3 11257 2.363 33.192 12.050 1.00 0.00 WAT +ATOM 40081 H2 TIP3 11257 1.946 34.458 12.777 1.00 0.00 WAT +ATOM 40082 OH2 TIP3 11258 12.062 43.656 -1.176 1.00 0.00 WAT +ATOM 40083 H1 TIP3 11258 12.992 43.606 -1.428 1.00 0.00 WAT +ATOM 40084 H2 TIP3 11258 11.864 42.780 -0.817 1.00 0.00 WAT +ATOM 40085 OH2 TIP3 11259 12.409 41.275 0.374 1.00 0.00 WAT +ATOM 40086 H1 TIP3 11259 11.614 40.894 0.792 1.00 0.00 WAT +ATOM 40087 H2 TIP3 11259 12.970 41.512 1.136 1.00 0.00 WAT +ATOM 40088 OH2 TIP3 11260 12.576 40.928 -3.093 1.00 0.00 WAT +ATOM 40089 H1 TIP3 11260 11.951 41.171 -3.803 1.00 0.00 WAT +ATOM 40090 H2 TIP3 11260 12.456 41.665 -2.484 1.00 0.00 WAT +ATOM 40091 OH2 TIP3 11261 10.856 38.428 -4.749 1.00 0.00 WAT +ATOM 40092 H1 TIP3 11261 11.049 39.072 -5.446 1.00 0.00 WAT +ATOM 40093 H2 TIP3 11261 10.618 37.626 -5.254 1.00 0.00 WAT +ATOM 40094 OH2 TIP3 11262 10.054 39.667 1.094 1.00 0.00 WAT +ATOM 40095 H1 TIP3 11262 10.108 38.704 0.977 1.00 0.00 WAT +ATOM 40096 H2 TIP3 11262 9.763 39.741 2.027 1.00 0.00 WAT +ATOM 40097 OH2 TIP3 11263 -5.008 41.859 5.106 1.00 0.00 WAT +ATOM 40098 H1 TIP3 11263 -4.906 42.034 4.158 1.00 0.00 WAT +ATOM 40099 H2 TIP3 11263 -4.096 41.615 5.367 1.00 0.00 WAT +ATOM 40100 OH2 TIP3 11264 10.986 41.610 10.366 1.00 0.00 WAT +ATOM 40101 H1 TIP3 11264 11.715 41.006 10.614 1.00 0.00 WAT +ATOM 40102 H2 TIP3 11264 11.427 42.435 10.098 1.00 0.00 WAT +ATOM 40103 OH2 TIP3 11265 12.419 39.652 11.519 1.00 0.00 WAT +ATOM 40104 H1 TIP3 11265 11.612 39.124 11.339 1.00 0.00 WAT +ATOM 40105 H2 TIP3 11265 13.104 38.960 11.555 1.00 0.00 WAT +ATOM 40106 OH2 TIP3 11266 10.314 35.782 -5.571 1.00 0.00 WAT +ATOM 40107 H1 TIP3 11266 10.892 35.290 -4.961 1.00 0.00 WAT +ATOM 40108 H2 TIP3 11266 9.510 35.243 -5.615 1.00 0.00 WAT +ATOM 40109 OH2 TIP3 11267 10.133 37.059 -0.594 1.00 0.00 WAT +ATOM 40110 H1 TIP3 11267 10.376 36.109 -0.545 1.00 0.00 WAT +ATOM 40111 H2 TIP3 11267 10.935 37.420 -1.012 1.00 0.00 WAT +ATOM 40112 OH2 TIP3 11268 10.352 37.684 4.821 1.00 0.00 WAT +ATOM 40113 H1 TIP3 11268 11.324 37.794 4.808 1.00 0.00 WAT +ATOM 40114 H2 TIP3 11268 10.195 37.705 5.781 1.00 0.00 WAT +ATOM 40115 OH2 TIP3 11269 10.522 38.373 7.653 1.00 0.00 WAT +ATOM 40116 H1 TIP3 11269 9.656 38.750 7.892 1.00 0.00 WAT +ATOM 40117 H2 TIP3 11269 11.027 39.175 7.407 1.00 0.00 WAT +ATOM 40118 OH2 TIP3 11270 -5.006 37.163 11.345 1.00 0.00 WAT +ATOM 40119 H1 TIP3 11270 -4.071 36.895 11.338 1.00 0.00 WAT +ATOM 40120 H2 TIP3 11270 -5.452 36.298 11.387 1.00 0.00 WAT +ATOM 40121 OH2 TIP3 11271 13.072 32.529 12.936 1.00 0.00 WAT +ATOM 40122 H1 TIP3 11271 13.481 31.833 12.388 1.00 0.00 WAT +ATOM 40123 H2 TIP3 11271 13.103 33.301 12.340 1.00 0.00 WAT +ATOM 40124 OH2 TIP3 11272 10.588 34.272 -0.636 1.00 0.00 WAT +ATOM 40125 H1 TIP3 11272 10.704 33.938 0.271 1.00 0.00 WAT +ATOM 40126 H2 TIP3 11272 9.793 33.776 -0.922 1.00 0.00 WAT +ATOM 40127 OH2 TIP3 11273 -4.234 35.467 4.125 1.00 0.00 WAT +ATOM 40128 H1 TIP3 11273 -3.778 34.610 4.186 1.00 0.00 WAT +ATOM 40129 H2 TIP3 11273 -3.543 36.066 4.466 1.00 0.00 WAT +ATOM 40130 OH2 TIP3 11274 -5.680 38.153 5.182 1.00 0.00 WAT +ATOM 40131 H1 TIP3 11274 -5.094 38.116 4.410 1.00 0.00 WAT +ATOM 40132 H2 TIP3 11274 -5.350 38.943 5.629 1.00 0.00 WAT +ATOM 40133 OH2 TIP3 11275 12.455 34.581 11.174 1.00 0.00 WAT +ATOM 40134 H1 TIP3 11275 11.573 34.993 11.228 1.00 0.00 WAT +ATOM 40135 H2 TIP3 11275 12.330 34.022 10.384 1.00 0.00 WAT +ATOM 40136 OH2 TIP3 11276 12.548 34.753 -3.971 1.00 0.00 WAT +ATOM 40137 H1 TIP3 11276 12.865 33.950 -4.420 1.00 0.00 WAT +ATOM 40138 H2 TIP3 11276 13.364 35.273 -3.887 1.00 0.00 WAT +ATOM 40139 OH2 TIP3 11277 -5.191 34.476 -0.776 1.00 0.00 WAT +ATOM 40140 H1 TIP3 11277 -6.139 34.520 -0.985 1.00 0.00 WAT +ATOM 40141 H2 TIP3 11277 -4.790 35.081 -1.432 1.00 0.00 WAT +ATOM 40142 OH2 TIP3 11278 -5.144 33.391 7.390 1.00 0.00 WAT +ATOM 40143 H1 TIP3 11278 -5.862 33.086 7.961 1.00 0.00 WAT +ATOM 40144 H2 TIP3 11278 -5.641 33.873 6.705 1.00 0.00 WAT +ATOM 40145 OH2 TIP3 11279 11.324 32.805 9.157 1.00 0.00 WAT +ATOM 40146 H1 TIP3 11279 10.513 32.995 8.654 1.00 0.00 WAT +ATOM 40147 H2 TIP3 11279 11.536 31.904 8.835 1.00 0.00 WAT +ATOM 40148 OH2 TIP3 11280 4.731 34.305 3.609 1.00 0.00 WAT +ATOM 40149 H1 TIP3 11280 4.052 33.621 3.772 1.00 0.00 WAT +ATOM 40150 H2 TIP3 11280 5.346 33.833 3.024 1.00 0.00 WAT +ATOM 40151 OH2 TIP3 11281 9.696 32.343 4.098 1.00 0.00 WAT +ATOM 40152 H1 TIP3 11281 10.457 32.769 3.667 1.00 0.00 WAT +ATOM 40153 H2 TIP3 11281 8.955 32.605 3.526 1.00 0.00 WAT +ATOM 40154 OH2 TIP3 11282 11.772 33.427 1.954 1.00 0.00 WAT +ATOM 40155 H1 TIP3 11282 12.484 33.002 1.443 1.00 0.00 WAT +ATOM 40156 H2 TIP3 11282 12.105 34.343 2.040 1.00 0.00 WAT +ATOM 40157 OH2 TIP3 11283 -2.990 32.945 1.179 1.00 0.00 WAT +ATOM 40158 H1 TIP3 11283 -3.832 32.830 0.699 1.00 0.00 WAT +ATOM 40159 H2 TIP3 11283 -2.577 32.071 1.035 1.00 0.00 WAT +ATOM 40160 OH2 TIP3 11284 -4.118 32.518 -2.962 1.00 0.00 WAT +ATOM 40161 H1 TIP3 11284 -3.584 33.172 -3.451 1.00 0.00 WAT +ATOM 40162 H2 TIP3 11284 -4.495 33.051 -2.245 1.00 0.00 WAT +ATOM 40163 OH2 TIP3 11285 1.558 32.846 1.048 1.00 0.00 WAT +ATOM 40164 H1 TIP3 11285 2.485 33.106 0.913 1.00 0.00 WAT +ATOM 40165 H2 TIP3 11285 1.533 32.724 2.003 1.00 0.00 WAT +ATOM 40166 OH2 TIP3 11286 7.146 32.882 2.463 1.00 0.00 WAT +ATOM 40167 H1 TIP3 11286 7.431 32.701 1.557 1.00 0.00 WAT +ATOM 40168 H2 TIP3 11286 6.768 32.021 2.724 1.00 0.00 WAT +ATOM 40169 OH2 TIP3 11287 8.264 32.883 -1.542 1.00 0.00 WAT +ATOM 40170 H1 TIP3 11287 7.437 33.376 -1.694 1.00 0.00 WAT +ATOM 40171 H2 TIP3 11287 7.921 31.984 -1.392 1.00 0.00 WAT +ATOM 40172 OH2 TIP3 11288 -2.378 34.335 -4.509 1.00 0.00 WAT +ATOM 40173 H1 TIP3 11288 -1.772 33.763 -5.009 1.00 0.00 WAT +ATOM 40174 H2 TIP3 11288 -1.786 34.658 -3.802 1.00 0.00 WAT +ATOM 40175 OH2 TIP3 11289 2.713 34.507 -1.895 1.00 0.00 WAT +ATOM 40176 H1 TIP3 11289 3.056 33.925 -1.200 1.00 0.00 WAT +ATOM 40177 H2 TIP3 11289 2.915 35.374 -1.508 1.00 0.00 WAT +ATOM 40178 OH2 TIP3 11290 -3.110 33.248 10.717 1.00 0.00 WAT +ATOM 40179 H1 TIP3 11290 -3.507 32.428 11.061 1.00 0.00 WAT +ATOM 40180 H2 TIP3 11290 -2.181 33.117 10.966 1.00 0.00 WAT +ATOM 40181 OH2 TIP3 11291 -0.719 32.638 12.453 1.00 0.00 WAT +ATOM 40182 H1 TIP3 11291 0.097 32.288 12.041 1.00 0.00 WAT +ATOM 40183 H2 TIP3 11291 -1.069 31.835 12.872 1.00 0.00 WAT +ATOM 40184 OH2 TIP3 11292 7.404 31.753 12.619 1.00 0.00 WAT +ATOM 40185 H1 TIP3 11292 7.441 31.323 13.494 1.00 0.00 WAT +ATOM 40186 H2 TIP3 11292 8.339 31.707 12.346 1.00 0.00 WAT +ATOM 40187 OH2 TIP3 11293 24.982 42.033 1.257 1.00 0.00 WAT +ATOM 40188 H1 TIP3 11293 24.679 42.950 1.260 1.00 0.00 WAT +ATOM 40189 H2 TIP3 11293 24.244 41.603 0.800 1.00 0.00 WAT +ATOM 40190 OH2 TIP3 11294 23.771 41.326 4.543 1.00 0.00 WAT +ATOM 40191 H1 TIP3 11294 23.817 40.791 5.352 1.00 0.00 WAT +ATOM 40192 H2 TIP3 11294 23.536 40.677 3.870 1.00 0.00 WAT +ATOM 40193 OH2 TIP3 11295 16.228 40.818 6.149 1.00 0.00 WAT +ATOM 40194 H1 TIP3 11295 16.211 40.068 6.770 1.00 0.00 WAT +ATOM 40195 H2 TIP3 11295 16.967 41.329 6.506 1.00 0.00 WAT +ATOM 40196 OH2 TIP3 11296 13.935 38.849 0.066 1.00 0.00 WAT +ATOM 40197 H1 TIP3 11296 13.501 39.719 0.142 1.00 0.00 WAT +ATOM 40198 H2 TIP3 11296 13.236 38.325 -0.343 1.00 0.00 WAT +ATOM 40199 OH2 TIP3 11297 14.867 41.352 1.939 1.00 0.00 WAT +ATOM 40200 H1 TIP3 11297 14.864 40.550 2.495 1.00 0.00 WAT +ATOM 40201 H2 TIP3 11297 15.670 41.200 1.429 1.00 0.00 WAT +ATOM 40202 OH2 TIP3 11298 30.976 35.216 5.722 1.00 0.00 WAT +ATOM 40203 H1 TIP3 11298 31.218 35.847 6.420 1.00 0.00 WAT +ATOM 40204 H2 TIP3 11298 31.578 35.501 5.008 1.00 0.00 WAT +ATOM 40205 OH2 TIP3 11299 25.612 38.036 5.599 1.00 0.00 WAT +ATOM 40206 H1 TIP3 11299 25.748 37.075 5.638 1.00 0.00 WAT +ATOM 40207 H2 TIP3 11299 25.523 38.180 4.645 1.00 0.00 WAT +ATOM 40208 OH2 TIP3 11300 18.587 36.054 2.671 1.00 0.00 WAT +ATOM 40209 H1 TIP3 11300 18.717 36.911 2.219 1.00 0.00 WAT +ATOM 40210 H2 TIP3 11300 18.232 35.532 1.924 1.00 0.00 WAT +ATOM 40211 OH2 TIP3 11301 26.431 36.225 0.984 1.00 0.00 WAT +ATOM 40212 H1 TIP3 11301 27.018 35.802 1.649 1.00 0.00 WAT +ATOM 40213 H2 TIP3 11301 27.086 36.672 0.428 1.00 0.00 WAT +ATOM 40214 OH2 TIP3 11302 15.244 38.769 3.180 1.00 0.00 WAT +ATOM 40215 H1 TIP3 11302 15.887 38.308 3.743 1.00 0.00 WAT +ATOM 40216 H2 TIP3 11302 15.350 38.291 2.337 1.00 0.00 WAT +ATOM 40217 OH2 TIP3 11303 20.677 40.185 2.656 1.00 0.00 WAT +ATOM 40218 H1 TIP3 11303 21.352 39.596 3.051 1.00 0.00 WAT +ATOM 40219 H2 TIP3 11303 20.127 39.545 2.165 1.00 0.00 WAT +ATOM 40220 OH2 TIP3 11304 31.714 36.608 8.214 1.00 0.00 WAT +ATOM 40221 H1 TIP3 11304 31.128 37.322 7.903 1.00 0.00 WAT +ATOM 40222 H2 TIP3 11304 31.456 36.561 9.143 1.00 0.00 WAT +ATOM 40223 OH2 TIP3 11305 17.374 34.840 6.826 1.00 0.00 WAT +ATOM 40224 H1 TIP3 11305 16.974 35.353 6.108 1.00 0.00 WAT +ATOM 40225 H2 TIP3 11305 16.718 34.982 7.538 1.00 0.00 WAT +ATOM 40226 OH2 TIP3 11306 20.095 42.657 6.603 1.00 0.00 WAT +ATOM 40227 H1 TIP3 11306 19.288 43.190 6.672 1.00 0.00 WAT +ATOM 40228 H2 TIP3 11306 20.751 43.365 6.528 1.00 0.00 WAT +ATOM 40229 OH2 TIP3 11307 28.255 35.455 3.021 1.00 0.00 WAT +ATOM 40230 H1 TIP3 11307 27.856 34.880 3.686 1.00 0.00 WAT +ATOM 40231 H2 TIP3 11307 28.775 36.066 3.572 1.00 0.00 WAT +ATOM 40232 OH2 TIP3 11308 16.976 36.887 4.765 1.00 0.00 WAT +ATOM 40233 H1 TIP3 11308 17.616 37.458 5.240 1.00 0.00 WAT +ATOM 40234 H2 TIP3 11308 17.555 36.527 4.057 1.00 0.00 WAT +ATOM 40235 OH2 TIP3 11309 28.391 34.615 6.864 1.00 0.00 WAT +ATOM 40236 H1 TIP3 11309 27.620 35.009 6.414 1.00 0.00 WAT +ATOM 40237 H2 TIP3 11309 29.114 34.809 6.237 1.00 0.00 WAT +ATOM 40238 OH2 TIP3 11310 21.505 32.323 3.901 1.00 0.00 WAT +ATOM 40239 H1 TIP3 11310 21.286 31.377 3.870 1.00 0.00 WAT +ATOM 40240 H2 TIP3 11310 20.685 32.711 4.275 1.00 0.00 WAT +ATOM 40241 OH2 TIP3 11311 23.490 41.444 -1.345 1.00 0.00 WAT +ATOM 40242 H1 TIP3 11311 22.843 41.776 -1.979 1.00 0.00 WAT +ATOM 40243 H2 TIP3 11311 24.269 41.337 -1.922 1.00 0.00 WAT +ATOM 40244 OH2 TIP3 11312 23.897 39.424 -4.164 1.00 0.00 WAT +ATOM 40245 H1 TIP3 11312 24.628 39.789 -3.634 1.00 0.00 WAT +ATOM 40246 H2 TIP3 11312 24.390 38.920 -4.827 1.00 0.00 WAT +ATOM 40247 OH2 TIP3 11313 31.021 40.557 6.906 1.00 0.00 WAT +ATOM 40248 H1 TIP3 11313 30.364 41.276 7.029 1.00 0.00 WAT +ATOM 40249 H2 TIP3 11313 31.529 40.944 6.162 1.00 0.00 WAT +ATOM 40250 OH2 TIP3 11314 27.208 41.407 -0.331 1.00 0.00 WAT +ATOM 40251 H1 TIP3 11314 26.551 41.618 0.360 1.00 0.00 WAT +ATOM 40252 H2 TIP3 11314 27.872 40.898 0.170 1.00 0.00 WAT +ATOM 40253 OH2 TIP3 11315 26.940 39.808 8.592 1.00 0.00 WAT +ATOM 40254 H1 TIP3 11315 26.969 40.584 9.174 1.00 0.00 WAT +ATOM 40255 H2 TIP3 11315 26.381 40.168 7.880 1.00 0.00 WAT +ATOM 40256 OH2 TIP3 11316 18.718 42.052 1.615 1.00 0.00 WAT +ATOM 40257 H1 TIP3 11316 18.534 41.815 0.688 1.00 0.00 WAT +ATOM 40258 H2 TIP3 11316 19.527 41.544 1.795 1.00 0.00 WAT +ATOM 40259 OH2 TIP3 11317 19.252 40.688 5.000 1.00 0.00 WAT +ATOM 40260 H1 TIP3 11317 19.841 40.736 4.221 1.00 0.00 WAT +ATOM 40261 H2 TIP3 11317 19.587 41.421 5.559 1.00 0.00 WAT +ATOM 40262 OH2 TIP3 11318 26.007 40.748 -2.694 1.00 0.00 WAT +ATOM 40263 H1 TIP3 11318 26.589 41.010 -1.943 1.00 0.00 WAT +ATOM 40264 H2 TIP3 11318 26.477 41.194 -3.445 1.00 0.00 WAT +ATOM 40265 OH2 TIP3 11319 17.127 41.475 8.868 1.00 0.00 WAT +ATOM 40266 H1 TIP3 11319 17.242 42.109 9.614 1.00 0.00 WAT +ATOM 40267 H2 TIP3 11319 16.158 41.387 8.861 1.00 0.00 WAT +ATOM 40268 OH2 TIP3 11320 29.512 32.471 -3.281 1.00 0.00 WAT +ATOM 40269 H1 TIP3 11320 28.653 32.576 -2.835 1.00 0.00 WAT +ATOM 40270 H2 TIP3 11320 29.877 33.369 -3.233 1.00 0.00 WAT +ATOM 40271 OH2 TIP3 11321 17.601 40.888 -0.883 1.00 0.00 WAT +ATOM 40272 H1 TIP3 11321 17.452 41.669 -1.457 1.00 0.00 WAT +ATOM 40273 H2 TIP3 11321 16.983 40.244 -1.248 1.00 0.00 WAT +ATOM 40274 OH2 TIP3 11322 13.534 43.082 7.891 1.00 0.00 WAT +ATOM 40275 H1 TIP3 11322 13.595 42.930 6.935 1.00 0.00 WAT +ATOM 40276 H2 TIP3 11322 13.904 42.253 8.253 1.00 0.00 WAT +ATOM 40277 OH2 TIP3 11323 28.928 38.375 10.931 1.00 0.00 WAT +ATOM 40278 H1 TIP3 11323 28.420 38.756 10.201 1.00 0.00 WAT +ATOM 40279 H2 TIP3 11323 28.980 37.440 10.657 1.00 0.00 WAT +ATOM 40280 OH2 TIP3 11324 19.093 33.468 4.826 1.00 0.00 WAT +ATOM 40281 H1 TIP3 11324 18.267 33.426 4.311 1.00 0.00 WAT +ATOM 40282 H2 TIP3 11324 18.889 34.219 5.406 1.00 0.00 WAT +ATOM 40283 OH2 TIP3 11325 23.465 33.053 8.457 1.00 0.00 WAT +ATOM 40284 H1 TIP3 11325 23.989 32.539 9.103 1.00 0.00 WAT +ATOM 40285 H2 TIP3 11325 22.558 32.724 8.599 1.00 0.00 WAT +ATOM 40286 OH2 TIP3 11326 26.636 36.854 8.997 1.00 0.00 WAT +ATOM 40287 H1 TIP3 11326 26.013 36.704 9.731 1.00 0.00 WAT +ATOM 40288 H2 TIP3 11326 26.544 37.806 8.816 1.00 0.00 WAT +ATOM 40289 OH2 TIP3 11327 27.398 41.768 -4.756 1.00 0.00 WAT +ATOM 40290 H1 TIP3 11327 27.352 41.580 -5.708 1.00 0.00 WAT +ATOM 40291 H2 TIP3 11327 28.294 42.152 -4.686 1.00 0.00 WAT +ATOM 40292 OH2 TIP3 11328 23.265 35.576 -4.267 1.00 0.00 WAT +ATOM 40293 H1 TIP3 11328 22.769 35.442 -3.447 1.00 0.00 WAT +ATOM 40294 H2 TIP3 11328 22.858 34.901 -4.837 1.00 0.00 WAT +ATOM 40295 OH2 TIP3 11329 18.952 38.240 6.258 1.00 0.00 WAT +ATOM 40296 H1 TIP3 11329 18.350 38.382 7.008 1.00 0.00 WAT +ATOM 40297 H2 TIP3 11329 19.039 39.145 5.883 1.00 0.00 WAT +ATOM 40298 OH2 TIP3 11330 18.895 38.343 1.109 1.00 0.00 WAT +ATOM 40299 H1 TIP3 11330 17.937 38.263 0.943 1.00 0.00 WAT +ATOM 40300 H2 TIP3 11330 19.243 38.157 0.214 1.00 0.00 WAT +ATOM 40301 OH2 TIP3 11331 24.501 38.988 -0.088 1.00 0.00 WAT +ATOM 40302 H1 TIP3 11331 24.044 39.750 -0.490 1.00 0.00 WAT +ATOM 40303 H2 TIP3 11331 25.179 38.789 -0.758 1.00 0.00 WAT +ATOM 40304 OH2 TIP3 11332 23.696 39.209 11.327 1.00 0.00 WAT +ATOM 40305 H1 TIP3 11332 23.193 38.435 11.647 1.00 0.00 WAT +ATOM 40306 H2 TIP3 11332 24.583 39.041 11.698 1.00 0.00 WAT +ATOM 40307 OH2 TIP3 11333 25.334 38.302 2.662 1.00 0.00 WAT +ATOM 40308 H1 TIP3 11333 25.064 38.853 1.901 1.00 0.00 WAT +ATOM 40309 H2 TIP3 11333 25.586 37.488 2.181 1.00 0.00 WAT +ATOM 40310 OH2 TIP3 11334 16.338 38.409 8.026 1.00 0.00 WAT +ATOM 40311 H1 TIP3 11334 16.553 38.784 8.888 1.00 0.00 WAT +ATOM 40312 H2 TIP3 11334 15.977 37.539 8.273 1.00 0.00 WAT +ATOM 40313 OH2 TIP3 11335 19.704 36.034 -5.361 1.00 0.00 WAT +ATOM 40314 H1 TIP3 11335 19.338 35.666 -4.532 1.00 0.00 WAT +ATOM 40315 H2 TIP3 11335 18.913 36.157 -5.899 1.00 0.00 WAT +ATOM 40316 OH2 TIP3 11336 13.138 35.910 1.709 1.00 0.00 WAT +ATOM 40317 H1 TIP3 11336 13.748 35.884 2.469 1.00 0.00 WAT +ATOM 40318 H2 TIP3 11336 13.654 35.516 0.989 1.00 0.00 WAT +ATOM 40319 OH2 TIP3 11337 14.732 36.337 -2.576 1.00 0.00 WAT +ATOM 40320 H1 TIP3 11337 15.274 36.817 -3.236 1.00 0.00 WAT +ATOM 40321 H2 TIP3 11337 14.033 36.991 -2.404 1.00 0.00 WAT +ATOM 40322 OH2 TIP3 11338 24.325 39.965 7.100 1.00 0.00 WAT +ATOM 40323 H1 TIP3 11338 24.864 39.300 6.618 1.00 0.00 WAT +ATOM 40324 H2 TIP3 11338 24.048 39.453 7.874 1.00 0.00 WAT +ATOM 40325 OH2 TIP3 11339 21.658 35.915 2.143 1.00 0.00 WAT +ATOM 40326 H1 TIP3 11339 20.712 35.914 2.371 1.00 0.00 WAT +ATOM 40327 H2 TIP3 11339 22.066 35.763 3.013 1.00 0.00 WAT +ATOM 40328 OH2 TIP3 11340 16.216 37.163 0.829 1.00 0.00 WAT +ATOM 40329 H1 TIP3 11340 15.414 37.436 0.349 1.00 0.00 WAT +ATOM 40330 H2 TIP3 11340 16.515 36.376 0.336 1.00 0.00 WAT +ATOM 40331 OH2 TIP3 11341 19.865 37.508 -1.503 1.00 0.00 WAT +ATOM 40332 H1 TIP3 11341 20.834 37.585 -1.459 1.00 0.00 WAT +ATOM 40333 H2 TIP3 11341 19.616 38.096 -2.236 1.00 0.00 WAT +ATOM 40334 OH2 TIP3 11342 26.050 35.069 5.162 1.00 0.00 WAT +ATOM 40335 H1 TIP3 11342 25.408 35.084 5.906 1.00 0.00 WAT +ATOM 40336 H2 TIP3 11342 25.471 34.738 4.454 1.00 0.00 WAT +ATOM 40337 OH2 TIP3 11343 18.301 38.758 -3.722 1.00 0.00 WAT +ATOM 40338 H1 TIP3 11343 17.740 38.443 -4.447 1.00 0.00 WAT +ATOM 40339 H2 TIP3 11343 19.121 38.972 -4.202 1.00 0.00 WAT +ATOM 40340 OH2 TIP3 11344 17.243 43.162 10.939 1.00 0.00 WAT +ATOM 40341 H1 TIP3 11344 17.803 43.642 11.581 1.00 0.00 WAT +ATOM 40342 H2 TIP3 11344 16.431 43.040 11.479 1.00 0.00 WAT +ATOM 40343 OH2 TIP3 11345 22.659 38.479 3.951 1.00 0.00 WAT +ATOM 40344 H1 TIP3 11345 23.432 38.086 3.519 1.00 0.00 WAT +ATOM 40345 H2 TIP3 11345 22.534 37.889 4.720 1.00 0.00 WAT +ATOM 40346 OH2 TIP3 11346 17.986 34.893 0.152 1.00 0.00 WAT +ATOM 40347 H1 TIP3 11346 17.427 34.109 0.280 1.00 0.00 WAT +ATOM 40348 H2 TIP3 11346 18.770 34.522 -0.275 1.00 0.00 WAT +ATOM 40349 OH2 TIP3 11347 21.646 36.934 6.211 1.00 0.00 WAT +ATOM 40350 H1 TIP3 11347 20.876 37.526 6.221 1.00 0.00 WAT +ATOM 40351 H2 TIP3 11347 22.146 37.208 7.004 1.00 0.00 WAT +ATOM 40352 OH2 TIP3 11348 21.297 43.651 -1.595 1.00 0.00 WAT +ATOM 40353 H1 TIP3 11348 20.985 43.020 -2.269 1.00 0.00 WAT +ATOM 40354 H2 TIP3 11348 21.931 43.166 -1.064 1.00 0.00 WAT +ATOM 40355 OH2 TIP3 11349 29.259 42.664 6.784 1.00 0.00 WAT +ATOM 40356 H1 TIP3 11349 29.512 43.115 5.958 1.00 0.00 WAT +ATOM 40357 H2 TIP3 11349 28.308 42.556 6.594 1.00 0.00 WAT +ATOM 40358 OH2 TIP3 11350 25.948 36.148 -4.107 1.00 0.00 WAT +ATOM 40359 H1 TIP3 11350 24.966 36.143 -4.163 1.00 0.00 WAT +ATOM 40360 H2 TIP3 11350 26.136 36.890 -3.499 1.00 0.00 WAT +ATOM 40361 OH2 TIP3 11351 26.627 37.982 -2.035 1.00 0.00 WAT +ATOM 40362 H1 TIP3 11351 27.513 37.808 -1.660 1.00 0.00 WAT +ATOM 40363 H2 TIP3 11351 26.754 38.842 -2.473 1.00 0.00 WAT +ATOM 40364 OH2 TIP3 11352 17.186 42.471 3.805 1.00 0.00 WAT +ATOM 40365 H1 TIP3 11352 17.791 42.391 3.035 1.00 0.00 WAT +ATOM 40366 H2 TIP3 11352 17.329 41.619 4.245 1.00 0.00 WAT +ATOM 40367 OH2 TIP3 11353 14.271 40.797 9.154 1.00 0.00 WAT +ATOM 40368 H1 TIP3 11353 14.357 40.425 10.053 1.00 0.00 WAT +ATOM 40369 H2 TIP3 11353 13.521 40.304 8.782 1.00 0.00 WAT +ATOM 40370 OH2 TIP3 11354 21.148 40.495 11.196 1.00 0.00 WAT +ATOM 40371 H1 TIP3 11354 20.810 40.278 10.312 1.00 0.00 WAT +ATOM 40372 H2 TIP3 11354 22.093 40.276 11.099 1.00 0.00 WAT +ATOM 40373 OH2 TIP3 11355 31.197 37.979 -2.303 1.00 0.00 WAT +ATOM 40374 H1 TIP3 11355 30.672 37.771 -3.101 1.00 0.00 WAT +ATOM 40375 H2 TIP3 11355 31.338 38.932 -2.468 1.00 0.00 WAT +ATOM 40376 OH2 TIP3 11356 26.680 41.807 5.460 1.00 0.00 WAT +ATOM 40377 H1 TIP3 11356 25.768 41.823 5.127 1.00 0.00 WAT +ATOM 40378 H2 TIP3 11356 27.157 41.344 4.754 1.00 0.00 WAT +ATOM 40379 OH2 TIP3 11357 15.226 40.946 -4.286 1.00 0.00 WAT +ATOM 40380 H1 TIP3 11357 15.822 41.545 -3.810 1.00 0.00 WAT +ATOM 40381 H2 TIP3 11357 14.376 41.124 -3.833 1.00 0.00 WAT +ATOM 40382 OH2 TIP3 11358 15.495 35.650 8.825 1.00 0.00 WAT +ATOM 40383 H1 TIP3 11358 14.589 35.897 8.556 1.00 0.00 WAT +ATOM 40384 H2 TIP3 11358 15.349 34.774 9.225 1.00 0.00 WAT +ATOM 40385 OH2 TIP3 11359 16.994 -43.875 -2.438 1.00 0.00 WAT +ATOM 40386 H1 TIP3 11359 16.092 -43.523 -2.291 1.00 0.00 WAT +ATOM 40387 H2 TIP3 11359 17.461 -43.060 -2.678 1.00 0.00 WAT +ATOM 40388 OH2 TIP3 11360 24.469 35.485 7.357 1.00 0.00 WAT +ATOM 40389 H1 TIP3 11360 25.081 35.758 8.055 1.00 0.00 WAT +ATOM 40390 H2 TIP3 11360 23.978 34.750 7.773 1.00 0.00 WAT +ATOM 40391 OH2 TIP3 11361 25.091 34.928 -1.382 1.00 0.00 WAT +ATOM 40392 H1 TIP3 11361 25.280 35.444 -2.182 1.00 0.00 WAT +ATOM 40393 H2 TIP3 11361 25.567 35.432 -0.700 1.00 0.00 WAT +ATOM 40394 OH2 TIP3 11362 22.529 36.920 -0.436 1.00 0.00 WAT +ATOM 40395 H1 TIP3 11362 23.291 37.514 -0.289 1.00 0.00 WAT +ATOM 40396 H2 TIP3 11362 22.226 36.757 0.477 1.00 0.00 WAT +ATOM 40397 OH2 TIP3 11363 22.918 37.911 8.739 1.00 0.00 WAT +ATOM 40398 H1 TIP3 11363 22.958 38.403 9.574 1.00 0.00 WAT +ATOM 40399 H2 TIP3 11363 23.404 37.106 8.964 1.00 0.00 WAT +ATOM 40400 OH2 TIP3 11364 23.099 33.926 0.505 1.00 0.00 WAT +ATOM 40401 H1 TIP3 11364 22.891 34.627 1.153 1.00 0.00 WAT +ATOM 40402 H2 TIP3 11364 23.829 34.342 0.004 1.00 0.00 WAT +ATOM 40403 OH2 TIP3 11365 18.835 34.939 -2.966 1.00 0.00 WAT +ATOM 40404 H1 TIP3 11365 18.857 35.707 -2.370 1.00 0.00 WAT +ATOM 40405 H2 TIP3 11365 19.652 34.472 -2.699 1.00 0.00 WAT +ATOM 40406 OH2 TIP3 11366 29.167 35.841 9.610 1.00 0.00 WAT +ATOM 40407 H1 TIP3 11366 28.207 35.971 9.464 1.00 0.00 WAT +ATOM 40408 H2 TIP3 11366 29.416 35.619 8.700 1.00 0.00 WAT +ATOM 40409 OH2 TIP3 11367 27.692 39.670 3.565 1.00 0.00 WAT +ATOM 40410 H1 TIP3 11367 26.850 39.226 3.368 1.00 0.00 WAT +ATOM 40411 H2 TIP3 11367 28.164 38.992 4.093 1.00 0.00 WAT +ATOM 40412 OH2 TIP3 11368 15.360 38.001 -4.754 1.00 0.00 WAT +ATOM 40413 H1 TIP3 11368 15.509 38.947 -4.588 1.00 0.00 WAT +ATOM 40414 H2 TIP3 11368 14.517 38.008 -5.222 1.00 0.00 WAT +ATOM 40415 OH2 TIP3 11369 16.326 33.033 3.999 1.00 0.00 WAT +ATOM 40416 H1 TIP3 11369 16.127 33.024 3.040 1.00 0.00 WAT +ATOM 40417 H2 TIP3 11369 15.952 32.185 4.302 1.00 0.00 WAT +ATOM 40418 OH2 TIP3 11370 14.791 43.071 12.062 1.00 0.00 WAT +ATOM 40419 H1 TIP3 11370 14.578 42.122 12.100 1.00 0.00 WAT +ATOM 40420 H2 TIP3 11370 13.975 43.496 11.785 1.00 0.00 WAT +ATOM 40421 OH2 TIP3 11371 20.697 43.286 11.595 1.00 0.00 WAT +ATOM 40422 H1 TIP3 11371 20.709 43.459 10.632 1.00 0.00 WAT +ATOM 40423 H2 TIP3 11371 21.046 42.374 11.632 1.00 0.00 WAT +ATOM 40424 OH2 TIP3 11372 26.719 -43.761 9.339 1.00 0.00 WAT +ATOM 40425 H1 TIP3 11372 27.506 -43.320 8.990 1.00 0.00 WAT +ATOM 40426 H2 TIP3 11372 26.032 -43.114 9.133 1.00 0.00 WAT +ATOM 40427 OH2 TIP3 11373 15.371 40.236 11.782 1.00 0.00 WAT +ATOM 40428 H1 TIP3 11373 16.153 39.660 11.714 1.00 0.00 WAT +ATOM 40429 H2 TIP3 11373 15.386 40.452 12.732 1.00 0.00 WAT +ATOM 40430 OH2 TIP3 11374 19.954 41.608 -3.142 1.00 0.00 WAT +ATOM 40431 H1 TIP3 11374 19.298 41.193 -2.569 1.00 0.00 WAT +ATOM 40432 H2 TIP3 11374 20.100 40.924 -3.823 1.00 0.00 WAT +ATOM 40433 OH2 TIP3 11375 19.106 39.329 9.179 1.00 0.00 WAT +ATOM 40434 H1 TIP3 11375 18.534 40.099 9.352 1.00 0.00 WAT +ATOM 40435 H2 TIP3 11375 19.734 39.698 8.533 1.00 0.00 WAT +ATOM 40436 OH2 TIP3 11376 20.782 39.566 -4.871 1.00 0.00 WAT +ATOM 40437 H1 TIP3 11376 20.756 39.710 -5.836 1.00 0.00 WAT +ATOM 40438 H2 TIP3 11376 21.742 39.560 -4.704 1.00 0.00 WAT +ATOM 40439 OH2 TIP3 11377 24.398 42.161 12.729 1.00 0.00 WAT +ATOM 40440 H1 TIP3 11377 25.262 41.945 12.363 1.00 0.00 WAT +ATOM 40441 H2 TIP3 11377 24.043 41.302 12.969 1.00 0.00 WAT +ATOM 40442 OH2 TIP3 11378 30.066 41.886 -5.646 1.00 0.00 WAT +ATOM 40443 H1 TIP3 11378 30.031 41.810 -6.612 1.00 0.00 WAT +ATOM 40444 H2 TIP3 11378 30.122 42.849 -5.486 1.00 0.00 WAT +ATOM 40445 OH2 TIP3 11379 19.674 36.635 10.293 1.00 0.00 WAT +ATOM 40446 H1 TIP3 11379 19.731 35.977 9.577 1.00 0.00 WAT +ATOM 40447 H2 TIP3 11379 19.460 37.446 9.800 1.00 0.00 WAT +ATOM 40448 OH2 TIP3 11380 20.004 35.092 7.734 1.00 0.00 WAT +ATOM 40449 H1 TIP3 11380 20.519 35.635 7.106 1.00 0.00 WAT +ATOM 40450 H2 TIP3 11380 19.091 35.148 7.382 1.00 0.00 WAT +ATOM 40451 OH2 TIP3 11381 21.503 40.664 8.054 1.00 0.00 WAT +ATOM 40452 H1 TIP3 11381 22.344 40.552 7.581 1.00 0.00 WAT +ATOM 40453 H2 TIP3 11381 21.148 41.476 7.650 1.00 0.00 WAT +ATOM 40454 OH2 TIP3 11382 26.142 38.490 12.926 1.00 0.00 WAT +ATOM 40455 H1 TIP3 11382 26.344 37.551 13.049 1.00 0.00 WAT +ATOM 40456 H2 TIP3 11382 27.031 38.872 12.872 1.00 0.00 WAT +ATOM 40457 OH2 TIP3 11383 27.093 41.369 11.288 1.00 0.00 WAT +ATOM 40458 H1 TIP3 11383 26.852 42.083 10.653 1.00 0.00 WAT +ATOM 40459 H2 TIP3 11383 27.998 41.176 10.986 1.00 0.00 WAT +ATOM 40460 OH2 TIP3 11384 17.812 38.509 12.082 1.00 0.00 WAT +ATOM 40461 H1 TIP3 11384 17.314 37.671 12.078 1.00 0.00 WAT +ATOM 40462 H2 TIP3 11384 18.641 38.245 11.654 1.00 0.00 WAT +ATOM 40463 OH2 TIP3 11385 20.717 32.428 8.092 1.00 0.00 WAT +ATOM 40464 H1 TIP3 11385 20.555 33.384 7.933 1.00 0.00 WAT +ATOM 40465 H2 TIP3 11385 20.003 32.027 7.562 1.00 0.00 WAT +ATOM 40466 OH2 TIP3 11386 21.996 37.008 11.877 1.00 0.00 WAT +ATOM 40467 H1 TIP3 11386 21.639 36.811 12.761 1.00 0.00 WAT +ATOM 40468 H2 TIP3 11386 21.198 36.816 11.339 1.00 0.00 WAT +ATOM 40469 OH2 TIP3 11387 24.515 36.066 10.750 1.00 0.00 WAT +ATOM 40470 H1 TIP3 11387 23.634 36.122 11.166 1.00 0.00 WAT +ATOM 40471 H2 TIP3 11387 24.970 35.428 11.332 1.00 0.00 WAT +ATOM 40472 OH2 TIP3 11388 26.386 34.537 12.482 1.00 0.00 WAT +ATOM 40473 H1 TIP3 11388 26.214 33.586 12.632 1.00 0.00 WAT +ATOM 40474 H2 TIP3 11388 26.180 34.941 13.345 1.00 0.00 WAT +ATOM 40475 OH2 TIP3 11389 16.542 35.941 11.931 1.00 0.00 WAT +ATOM 40476 H1 TIP3 11389 16.458 35.241 11.263 1.00 0.00 WAT +ATOM 40477 H2 TIP3 11389 16.314 35.458 12.749 1.00 0.00 WAT +ATOM 40478 OH2 TIP3 11390 20.560 31.924 10.913 1.00 0.00 WAT +ATOM 40479 H1 TIP3 11390 21.149 31.155 10.969 1.00 0.00 WAT +ATOM 40480 H2 TIP3 11390 20.538 32.074 9.948 1.00 0.00 WAT +ATOM 40481 OH2 TIP3 11391 21.503 33.788 12.767 1.00 0.00 WAT +ATOM 40482 H1 TIP3 11391 21.192 33.194 12.053 1.00 0.00 WAT +ATOM 40483 H2 TIP3 11391 20.815 34.470 12.787 1.00 0.00 WAT +ATOM 40484 OH2 TIP3 11392 30.888 43.614 -1.267 1.00 0.00 WAT +ATOM 40485 H1 TIP3 11392 31.843 43.616 -1.409 1.00 0.00 WAT +ATOM 40486 H2 TIP3 11392 30.728 42.787 -0.785 1.00 0.00 WAT +ATOM 40487 OH2 TIP3 11393 31.254 41.339 0.388 1.00 0.00 WAT +ATOM 40488 H1 TIP3 11393 30.489 40.881 0.787 1.00 0.00 WAT +ATOM 40489 H2 TIP3 11393 31.836 41.505 1.151 1.00 0.00 WAT +ATOM 40490 OH2 TIP3 11394 31.389 40.911 -3.048 1.00 0.00 WAT +ATOM 40491 H1 TIP3 11394 30.802 41.151 -3.790 1.00 0.00 WAT +ATOM 40492 H2 TIP3 11394 31.301 41.685 -2.480 1.00 0.00 WAT +ATOM 40493 OH2 TIP3 11395 29.697 38.443 -4.757 1.00 0.00 WAT +ATOM 40494 H1 TIP3 11395 29.920 39.059 -5.469 1.00 0.00 WAT +ATOM 40495 H2 TIP3 11395 29.471 37.623 -5.240 1.00 0.00 WAT +ATOM 40496 OH2 TIP3 11396 28.990 39.659 1.132 1.00 0.00 WAT +ATOM 40497 H1 TIP3 11396 28.984 38.698 0.993 1.00 0.00 WAT +ATOM 40498 H2 TIP3 11396 28.635 39.732 2.044 1.00 0.00 WAT +ATOM 40499 OH2 TIP3 11397 13.864 41.878 5.114 1.00 0.00 WAT +ATOM 40500 H1 TIP3 11397 13.957 42.034 4.161 1.00 0.00 WAT +ATOM 40501 H2 TIP3 11397 14.772 41.604 5.362 1.00 0.00 WAT +ATOM 40502 OH2 TIP3 11398 29.850 41.611 10.361 1.00 0.00 WAT +ATOM 40503 H1 TIP3 11398 30.577 41.009 10.619 1.00 0.00 WAT +ATOM 40504 H2 TIP3 11398 30.291 42.439 10.103 1.00 0.00 WAT +ATOM 40505 OH2 TIP3 11399 31.281 39.649 11.514 1.00 0.00 WAT +ATOM 40506 H1 TIP3 11399 30.467 39.131 11.335 1.00 0.00 WAT +ATOM 40507 H2 TIP3 11399 31.956 38.947 11.552 1.00 0.00 WAT +ATOM 40508 OH2 TIP3 11400 29.150 35.801 -5.537 1.00 0.00 WAT +ATOM 40509 H1 TIP3 11400 29.758 35.288 -4.976 1.00 0.00 WAT +ATOM 40510 H2 TIP3 11400 28.373 35.231 -5.620 1.00 0.00 WAT +ATOM 40511 OH2 TIP3 11401 28.983 37.062 -0.595 1.00 0.00 WAT +ATOM 40512 H1 TIP3 11401 29.233 36.114 -0.553 1.00 0.00 WAT +ATOM 40513 H2 TIP3 11401 29.782 37.430 -1.014 1.00 0.00 WAT +ATOM 40514 OH2 TIP3 11402 29.201 37.664 4.823 1.00 0.00 WAT +ATOM 40515 H1 TIP3 11402 30.171 37.791 4.799 1.00 0.00 WAT +ATOM 40516 H2 TIP3 11402 29.049 37.713 5.782 1.00 0.00 WAT +ATOM 40517 OH2 TIP3 11403 29.379 38.374 7.655 1.00 0.00 WAT +ATOM 40518 H1 TIP3 11403 28.512 38.751 7.893 1.00 0.00 WAT +ATOM 40519 H2 TIP3 11403 29.882 39.176 7.409 1.00 0.00 WAT +ATOM 40520 OH2 TIP3 11404 13.845 37.161 11.334 1.00 0.00 WAT +ATOM 40521 H1 TIP3 11404 14.782 36.902 11.345 1.00 0.00 WAT +ATOM 40522 H2 TIP3 11404 13.406 36.294 11.389 1.00 0.00 WAT +ATOM 40523 OH2 TIP3 11405 31.943 32.535 12.944 1.00 0.00 WAT +ATOM 40524 H1 TIP3 11405 32.338 31.836 12.389 1.00 0.00 WAT +ATOM 40525 H2 TIP3 11405 31.959 33.302 12.340 1.00 0.00 WAT +ATOM 40526 OH2 TIP3 11406 29.440 34.273 -0.638 1.00 0.00 WAT +ATOM 40527 H1 TIP3 11406 29.566 33.948 0.271 1.00 0.00 WAT +ATOM 40528 H2 TIP3 11406 28.643 33.776 -0.915 1.00 0.00 WAT +ATOM 40529 OH2 TIP3 11407 14.627 35.470 4.119 1.00 0.00 WAT +ATOM 40530 H1 TIP3 11407 15.087 34.617 4.198 1.00 0.00 WAT +ATOM 40531 H2 TIP3 11407 15.310 36.078 4.462 1.00 0.00 WAT +ATOM 40532 OH2 TIP3 11408 13.175 38.147 5.179 1.00 0.00 WAT +ATOM 40533 H1 TIP3 11408 13.768 38.122 4.410 1.00 0.00 WAT +ATOM 40534 H2 TIP3 11408 13.498 38.933 5.638 1.00 0.00 WAT +ATOM 40535 OH2 TIP3 11409 31.307 34.578 11.181 1.00 0.00 WAT +ATOM 40536 H1 TIP3 11409 30.427 34.995 11.225 1.00 0.00 WAT +ATOM 40537 H2 TIP3 11409 31.189 34.027 10.386 1.00 0.00 WAT +ATOM 40538 OH2 TIP3 11410 31.422 34.752 -3.960 1.00 0.00 WAT +ATOM 40539 H1 TIP3 11410 31.734 33.962 -4.432 1.00 0.00 WAT +ATOM 40540 H2 TIP3 11410 32.227 35.296 -3.933 1.00 0.00 WAT +ATOM 40541 OH2 TIP3 11411 13.671 34.480 -0.786 1.00 0.00 WAT +ATOM 40542 H1 TIP3 11411 12.722 34.529 -0.987 1.00 0.00 WAT +ATOM 40543 H2 TIP3 11411 14.070 35.090 -1.438 1.00 0.00 WAT +ATOM 40544 OH2 TIP3 11412 13.714 33.371 7.367 1.00 0.00 WAT +ATOM 40545 H1 TIP3 11412 13.007 33.095 7.966 1.00 0.00 WAT +ATOM 40546 H2 TIP3 11412 13.212 33.887 6.710 1.00 0.00 WAT +ATOM 40547 OH2 TIP3 11413 30.174 32.804 9.164 1.00 0.00 WAT +ATOM 40548 H1 TIP3 11413 29.372 33.009 8.653 1.00 0.00 WAT +ATOM 40549 H2 TIP3 11413 30.386 31.906 8.834 1.00 0.00 WAT +ATOM 40550 OH2 TIP3 11414 23.600 34.279 3.646 1.00 0.00 WAT +ATOM 40551 H1 TIP3 11414 22.896 33.611 3.753 1.00 0.00 WAT +ATOM 40552 H2 TIP3 11414 24.197 33.841 3.020 1.00 0.00 WAT +ATOM 40553 OH2 TIP3 11415 28.550 32.323 4.089 1.00 0.00 WAT +ATOM 40554 H1 TIP3 11415 29.315 32.765 3.682 1.00 0.00 WAT +ATOM 40555 H2 TIP3 11415 27.814 32.626 3.532 1.00 0.00 WAT +ATOM 40556 OH2 TIP3 11416 30.622 33.418 1.948 1.00 0.00 WAT +ATOM 40557 H1 TIP3 11416 31.341 33.002 1.438 1.00 0.00 WAT +ATOM 40558 H2 TIP3 11416 30.954 34.335 2.039 1.00 0.00 WAT +ATOM 40559 OH2 TIP3 11417 15.936 33.017 1.194 1.00 0.00 WAT +ATOM 40560 H1 TIP3 11417 15.078 32.898 0.741 1.00 0.00 WAT +ATOM 40561 H2 TIP3 11417 16.355 32.152 1.030 1.00 0.00 WAT +ATOM 40562 OH2 TIP3 11418 14.770 32.499 -2.937 1.00 0.00 WAT +ATOM 40563 H1 TIP3 11418 15.277 33.157 -3.451 1.00 0.00 WAT +ATOM 40564 H2 TIP3 11418 14.360 33.048 -2.250 1.00 0.00 WAT +ATOM 40565 OH2 TIP3 11419 20.427 32.717 1.022 1.00 0.00 WAT +ATOM 40566 H1 TIP3 11419 21.312 33.097 0.895 1.00 0.00 WAT +ATOM 40567 H2 TIP3 11419 20.376 32.679 1.983 1.00 0.00 WAT +ATOM 40568 OH2 TIP3 11420 26.014 32.883 2.460 1.00 0.00 WAT +ATOM 40569 H1 TIP3 11420 26.287 32.740 1.544 1.00 0.00 WAT +ATOM 40570 H2 TIP3 11420 25.641 32.016 2.699 1.00 0.00 WAT +ATOM 40571 OH2 TIP3 11421 27.118 32.879 -1.516 1.00 0.00 WAT +ATOM 40572 H1 TIP3 11421 26.302 33.385 -1.690 1.00 0.00 WAT +ATOM 40573 H2 TIP3 11421 26.772 31.973 -1.453 1.00 0.00 WAT +ATOM 40574 OH2 TIP3 11422 16.474 34.320 -4.503 1.00 0.00 WAT +ATOM 40575 H1 TIP3 11422 17.083 33.764 -5.019 1.00 0.00 WAT +ATOM 40576 H2 TIP3 11422 17.072 34.653 -3.806 1.00 0.00 WAT +ATOM 40577 OH2 TIP3 11423 21.560 34.501 -1.878 1.00 0.00 WAT +ATOM 40578 H1 TIP3 11423 21.937 33.944 -1.181 1.00 0.00 WAT +ATOM 40579 H2 TIP3 11423 21.770 35.380 -1.525 1.00 0.00 WAT +ATOM 40580 OH2 TIP3 11424 15.750 33.241 10.706 1.00 0.00 WAT +ATOM 40581 H1 TIP3 11424 15.350 32.428 11.062 1.00 0.00 WAT +ATOM 40582 H2 TIP3 11424 16.673 33.123 10.981 1.00 0.00 WAT +ATOM 40583 OH2 TIP3 11425 18.131 32.633 12.444 1.00 0.00 WAT +ATOM 40584 H1 TIP3 11425 18.951 32.278 12.044 1.00 0.00 WAT +ATOM 40585 H2 TIP3 11425 17.782 31.838 12.879 1.00 0.00 WAT +ATOM 40586 OH2 TIP3 11426 26.257 31.740 12.611 1.00 0.00 WAT +ATOM 40587 H1 TIP3 11426 26.291 31.326 13.495 1.00 0.00 WAT +ATOM 40588 H2 TIP3 11426 27.196 31.709 12.349 1.00 0.00 WAT +ATOM 40589 OH2 TIP3 11427 41.989 40.967 4.783 1.00 0.00 WAT +ATOM 40590 H1 TIP3 11427 42.803 41.320 5.182 1.00 0.00 WAT +ATOM 40591 H2 TIP3 11427 42.249 40.864 3.860 1.00 0.00 WAT +ATOM 40592 OH2 TIP3 11428 35.071 40.826 6.149 1.00 0.00 WAT +ATOM 40593 H1 TIP3 11428 35.068 40.074 6.767 1.00 0.00 WAT +ATOM 40594 H2 TIP3 11428 35.836 41.322 6.468 1.00 0.00 WAT +ATOM 40595 OH2 TIP3 11429 32.770 38.853 0.103 1.00 0.00 WAT +ATOM 40596 H1 TIP3 11429 32.335 39.723 0.121 1.00 0.00 WAT +ATOM 40597 H2 TIP3 11429 32.114 38.321 -0.363 1.00 0.00 WAT +ATOM 40598 OH2 TIP3 11430 33.738 41.358 1.951 1.00 0.00 WAT +ATOM 40599 H1 TIP3 11430 33.724 40.543 2.487 1.00 0.00 WAT +ATOM 40600 H2 TIP3 11430 34.515 41.184 1.404 1.00 0.00 WAT +ATOM 40601 OH2 TIP3 11431 37.456 36.066 2.676 1.00 0.00 WAT +ATOM 40602 H1 TIP3 11431 37.582 36.917 2.210 1.00 0.00 WAT +ATOM 40603 H2 TIP3 11431 37.114 35.529 1.931 1.00 0.00 WAT +ATOM 40604 OH2 TIP3 11432 34.098 38.771 3.180 1.00 0.00 WAT +ATOM 40605 H1 TIP3 11432 34.744 38.301 3.731 1.00 0.00 WAT +ATOM 40606 H2 TIP3 11432 34.196 38.300 2.331 1.00 0.00 WAT +ATOM 40607 OH2 TIP3 11433 39.530 40.153 2.679 1.00 0.00 WAT +ATOM 40608 H1 TIP3 11433 40.262 39.588 3.011 1.00 0.00 WAT +ATOM 40609 H2 TIP3 11433 39.011 39.500 2.176 1.00 0.00 WAT +ATOM 40610 OH2 TIP3 11434 36.237 34.839 6.834 1.00 0.00 WAT +ATOM 40611 H1 TIP3 11434 35.841 35.330 6.098 1.00 0.00 WAT +ATOM 40612 H2 TIP3 11434 35.573 34.991 7.534 1.00 0.00 WAT +ATOM 40613 OH2 TIP3 11435 38.942 42.631 6.671 1.00 0.00 WAT +ATOM 40614 H1 TIP3 11435 38.142 43.178 6.658 1.00 0.00 WAT +ATOM 40615 H2 TIP3 11435 39.619 43.312 6.551 1.00 0.00 WAT +ATOM 40616 OH2 TIP3 11436 35.840 36.885 4.765 1.00 0.00 WAT +ATOM 40617 H1 TIP3 11436 36.486 37.461 5.224 1.00 0.00 WAT +ATOM 40618 H2 TIP3 11436 36.410 36.526 4.048 1.00 0.00 WAT +ATOM 40619 OH2 TIP3 11437 40.433 32.310 3.979 1.00 0.00 WAT +ATOM 40620 H1 TIP3 11437 40.153 31.376 3.947 1.00 0.00 WAT +ATOM 40621 H2 TIP3 11437 39.626 32.737 4.336 1.00 0.00 WAT +ATOM 40622 OH2 TIP3 11438 42.629 41.230 -1.366 1.00 0.00 WAT +ATOM 40623 H1 TIP3 11438 41.936 41.846 -1.659 1.00 0.00 WAT +ATOM 40624 H2 TIP3 11438 43.292 41.376 -2.043 1.00 0.00 WAT +ATOM 40625 OH2 TIP3 11439 42.738 39.313 -3.995 1.00 0.00 WAT +ATOM 40626 H1 TIP3 11439 43.593 39.728 -3.843 1.00 0.00 WAT +ATOM 40627 H2 TIP3 11439 42.716 39.133 -4.944 1.00 0.00 WAT +ATOM 40628 OH2 TIP3 11440 37.553 42.026 1.611 1.00 0.00 WAT +ATOM 40629 H1 TIP3 11440 37.373 41.771 0.686 1.00 0.00 WAT +ATOM 40630 H2 TIP3 11440 38.367 41.528 1.800 1.00 0.00 WAT +ATOM 40631 OH2 TIP3 11441 38.104 40.689 5.013 1.00 0.00 WAT +ATOM 40632 H1 TIP3 11441 38.715 40.690 4.245 1.00 0.00 WAT +ATOM 40633 H2 TIP3 11441 38.474 41.407 5.567 1.00 0.00 WAT +ATOM 40634 OH2 TIP3 11442 35.993 41.453 8.885 1.00 0.00 WAT +ATOM 40635 H1 TIP3 11442 36.100 42.099 9.620 1.00 0.00 WAT +ATOM 40636 H2 TIP3 11442 35.022 41.392 8.846 1.00 0.00 WAT +ATOM 40637 OH2 TIP3 11443 36.431 40.922 -0.855 1.00 0.00 WAT +ATOM 40638 H1 TIP3 11443 36.349 41.658 -1.496 1.00 0.00 WAT +ATOM 40639 H2 TIP3 11443 35.957 40.215 -1.312 1.00 0.00 WAT +ATOM 40640 OH2 TIP3 11444 32.445 43.094 7.895 1.00 0.00 WAT +ATOM 40641 H1 TIP3 11444 32.442 42.921 6.940 1.00 0.00 WAT +ATOM 40642 H2 TIP3 11444 32.764 42.243 8.254 1.00 0.00 WAT +ATOM 40643 OH2 TIP3 11445 37.972 33.471 4.816 1.00 0.00 WAT +ATOM 40644 H1 TIP3 11445 37.155 33.404 4.291 1.00 0.00 WAT +ATOM 40645 H2 TIP3 11445 37.744 34.222 5.385 1.00 0.00 WAT +ATOM 40646 OH2 TIP3 11446 42.328 32.835 9.088 1.00 0.00 WAT +ATOM 40647 H1 TIP3 11446 42.443 32.107 9.715 1.00 0.00 WAT +ATOM 40648 H2 TIP3 11446 41.415 32.666 8.775 1.00 0.00 WAT +ATOM 40649 OH2 TIP3 11447 42.396 35.547 -4.182 1.00 0.00 WAT +ATOM 40650 H1 TIP3 11447 41.685 35.533 -3.528 1.00 0.00 WAT +ATOM 40651 H2 TIP3 11447 42.024 34.963 -4.860 1.00 0.00 WAT +ATOM 40652 OH2 TIP3 11448 37.811 38.251 6.273 1.00 0.00 WAT +ATOM 40653 H1 TIP3 11448 37.161 38.385 6.983 1.00 0.00 WAT +ATOM 40654 H2 TIP3 11448 37.893 39.150 5.880 1.00 0.00 WAT +ATOM 40655 OH2 TIP3 11449 37.757 38.323 1.075 1.00 0.00 WAT +ATOM 40656 H1 TIP3 11449 36.797 38.260 0.928 1.00 0.00 WAT +ATOM 40657 H2 TIP3 11449 38.079 38.224 0.158 1.00 0.00 WAT +ATOM 40658 OH2 TIP3 11450 42.825 38.701 0.302 1.00 0.00 WAT +ATOM 40659 H1 TIP3 11450 42.601 39.619 0.064 1.00 0.00 WAT +ATOM 40660 H2 TIP3 11450 43.153 38.346 -0.525 1.00 0.00 WAT +ATOM 40661 OH2 TIP3 11451 42.558 39.230 11.766 1.00 0.00 WAT +ATOM 40662 H1 TIP3 11451 41.962 38.455 11.695 1.00 0.00 WAT +ATOM 40663 H2 TIP3 11451 43.404 38.791 11.546 1.00 0.00 WAT +ATOM 40664 OH2 TIP3 11452 35.220 38.410 8.027 1.00 0.00 WAT +ATOM 40665 H1 TIP3 11452 35.382 38.794 8.896 1.00 0.00 WAT +ATOM 40666 H2 TIP3 11452 34.839 37.545 8.260 1.00 0.00 WAT +ATOM 40667 OH2 TIP3 11453 38.686 35.730 -5.396 1.00 0.00 WAT +ATOM 40668 H1 TIP3 11453 38.163 35.550 -4.595 1.00 0.00 WAT +ATOM 40669 H2 TIP3 11453 38.124 36.383 -5.846 1.00 0.00 WAT +ATOM 40670 OH2 TIP3 11454 31.977 35.884 1.727 1.00 0.00 WAT +ATOM 40671 H1 TIP3 11454 32.612 35.880 2.466 1.00 0.00 WAT +ATOM 40672 H2 TIP3 11454 32.493 35.537 0.983 1.00 0.00 WAT +ATOM 40673 OH2 TIP3 11455 33.626 36.348 -2.504 1.00 0.00 WAT +ATOM 40674 H1 TIP3 11455 34.110 36.766 -3.251 1.00 0.00 WAT +ATOM 40675 H2 TIP3 11455 32.898 36.985 -2.411 1.00 0.00 WAT +ATOM 40676 OH2 TIP3 11456 43.508 39.690 7.493 1.00 0.00 WAT +ATOM 40677 H1 TIP3 11456 43.798 39.035 6.824 1.00 0.00 WAT +ATOM 40678 H2 TIP3 11456 42.704 39.254 7.814 1.00 0.00 WAT +ATOM 40679 OH2 TIP3 11457 40.489 35.758 2.187 1.00 0.00 WAT +ATOM 40680 H1 TIP3 11457 39.542 35.846 2.387 1.00 0.00 WAT +ATOM 40681 H2 TIP3 11457 40.875 35.887 3.067 1.00 0.00 WAT +ATOM 40682 OH2 TIP3 11458 35.054 37.152 0.843 1.00 0.00 WAT +ATOM 40683 H1 TIP3 11458 34.279 37.440 0.329 1.00 0.00 WAT +ATOM 40684 H2 TIP3 11458 35.380 36.384 0.338 1.00 0.00 WAT +ATOM 40685 OH2 TIP3 11459 38.609 37.616 -1.683 1.00 0.00 WAT +ATOM 40686 H1 TIP3 11459 39.569 37.716 -1.621 1.00 0.00 WAT +ATOM 40687 H2 TIP3 11459 38.383 38.169 -2.461 1.00 0.00 WAT +ATOM 40688 OH2 TIP3 11460 36.102 43.165 10.935 1.00 0.00 WAT +ATOM 40689 H1 TIP3 11460 36.663 43.652 11.570 1.00 0.00 WAT +ATOM 40690 H2 TIP3 11460 35.291 43.044 11.476 1.00 0.00 WAT +ATOM 40691 OH2 TIP3 11461 41.442 38.239 3.561 1.00 0.00 WAT +ATOM 40692 H1 TIP3 11461 42.172 37.820 3.086 1.00 0.00 WAT +ATOM 40693 H2 TIP3 11461 41.649 38.029 4.487 1.00 0.00 WAT +ATOM 40694 OH2 TIP3 11462 36.855 34.891 0.203 1.00 0.00 WAT +ATOM 40695 H1 TIP3 11462 36.270 34.119 0.275 1.00 0.00 WAT +ATOM 40696 H2 TIP3 11462 37.572 34.555 -0.349 1.00 0.00 WAT +ATOM 40697 OH2 TIP3 11463 40.503 36.847 6.228 1.00 0.00 WAT +ATOM 40698 H1 TIP3 11463 39.786 37.493 6.107 1.00 0.00 WAT +ATOM 40699 H2 TIP3 11463 41.022 37.254 6.943 1.00 0.00 WAT +ATOM 40700 OH2 TIP3 11464 40.755 43.489 -1.694 1.00 0.00 WAT +ATOM 40701 H1 TIP3 11464 40.100 42.993 -2.228 1.00 0.00 WAT +ATOM 40702 H2 TIP3 11464 40.530 43.233 -0.792 1.00 0.00 WAT +ATOM 40703 OH2 TIP3 11465 36.089 42.513 3.826 1.00 0.00 WAT +ATOM 40704 H1 TIP3 11465 36.662 42.406 3.033 1.00 0.00 WAT +ATOM 40705 H2 TIP3 11465 36.174 41.636 4.228 1.00 0.00 WAT +ATOM 40706 OH2 TIP3 11466 33.118 40.791 9.154 1.00 0.00 WAT +ATOM 40707 H1 TIP3 11466 33.194 40.419 10.053 1.00 0.00 WAT +ATOM 40708 H2 TIP3 11466 32.366 40.306 8.775 1.00 0.00 WAT +ATOM 40709 OH2 TIP3 11467 40.009 40.473 11.243 1.00 0.00 WAT +ATOM 40710 H1 TIP3 11467 39.662 40.230 10.367 1.00 0.00 WAT +ATOM 40711 H2 TIP3 11467 40.965 40.345 11.120 1.00 0.00 WAT +ATOM 40712 OH2 TIP3 11468 33.964 41.062 -4.389 1.00 0.00 WAT +ATOM 40713 H1 TIP3 11468 34.717 41.374 -3.864 1.00 0.00 WAT +ATOM 40714 H2 TIP3 11468 33.216 41.185 -3.778 1.00 0.00 WAT +ATOM 40715 OH2 TIP3 11469 34.346 35.658 8.840 1.00 0.00 WAT +ATOM 40716 H1 TIP3 11469 33.444 35.902 8.551 1.00 0.00 WAT +ATOM 40717 H2 TIP3 11469 34.199 34.770 9.211 1.00 0.00 WAT +ATOM 40718 OH2 TIP3 11470 35.888 -43.829 -2.419 1.00 0.00 WAT +ATOM 40719 H1 TIP3 11470 34.958 -43.550 -2.311 1.00 0.00 WAT +ATOM 40720 H2 TIP3 11470 36.295 -43.004 -2.713 1.00 0.00 WAT +ATOM 40721 OH2 TIP3 11471 43.339 35.916 7.932 1.00 0.00 WAT +ATOM 40722 H1 TIP3 11471 43.839 35.138 8.185 1.00 0.00 WAT +ATOM 40723 H2 TIP3 11471 42.748 35.553 7.255 1.00 0.00 WAT +ATOM 40724 OH2 TIP3 11472 41.191 36.674 -0.435 1.00 0.00 WAT +ATOM 40725 H1 TIP3 11472 41.787 37.403 -0.174 1.00 0.00 WAT +ATOM 40726 H2 TIP3 11472 40.818 36.482 0.445 1.00 0.00 WAT +ATOM 40727 OH2 TIP3 11473 41.668 37.877 8.740 1.00 0.00 WAT +ATOM 40728 H1 TIP3 11473 41.875 38.326 9.565 1.00 0.00 WAT +ATOM 40729 H2 TIP3 11473 42.331 37.156 8.713 1.00 0.00 WAT +ATOM 40730 OH2 TIP3 11474 41.959 33.880 0.782 1.00 0.00 WAT +ATOM 40731 H1 TIP3 11474 41.659 34.688 1.259 1.00 0.00 WAT +ATOM 40732 H2 TIP3 11474 42.698 34.228 0.251 1.00 0.00 WAT +ATOM 40733 OH2 TIP3 11475 37.632 34.935 -2.912 1.00 0.00 WAT +ATOM 40734 H1 TIP3 11475 37.693 35.786 -2.442 1.00 0.00 WAT +ATOM 40735 H2 TIP3 11475 38.498 34.532 -2.740 1.00 0.00 WAT +ATOM 40736 OH2 TIP3 11476 33.888 37.845 -4.776 1.00 0.00 WAT +ATOM 40737 H1 TIP3 11476 34.525 38.581 -4.751 1.00 0.00 WAT +ATOM 40738 H2 TIP3 11476 33.077 38.266 -5.071 1.00 0.00 WAT +ATOM 40739 OH2 TIP3 11477 35.163 33.043 4.007 1.00 0.00 WAT +ATOM 40740 H1 TIP3 11477 34.988 33.027 3.043 1.00 0.00 WAT +ATOM 40741 H2 TIP3 11477 34.820 32.178 4.298 1.00 0.00 WAT +ATOM 40742 OH2 TIP3 11478 33.660 43.061 12.064 1.00 0.00 WAT +ATOM 40743 H1 TIP3 11478 33.436 42.113 12.078 1.00 0.00 WAT +ATOM 40744 H2 TIP3 11478 32.846 43.500 11.800 1.00 0.00 WAT +ATOM 40745 OH2 TIP3 11479 39.572 43.319 11.621 1.00 0.00 WAT +ATOM 40746 H1 TIP3 11479 39.551 43.468 10.654 1.00 0.00 WAT +ATOM 40747 H2 TIP3 11479 39.956 42.423 11.674 1.00 0.00 WAT +ATOM 40748 OH2 TIP3 11480 34.228 40.239 11.784 1.00 0.00 WAT +ATOM 40749 H1 TIP3 11480 35.004 39.658 11.715 1.00 0.00 WAT +ATOM 40750 H2 TIP3 11480 34.235 40.447 12.735 1.00 0.00 WAT +ATOM 40751 OH2 TIP3 11481 39.027 41.625 -2.993 1.00 0.00 WAT +ATOM 40752 H1 TIP3 11481 38.268 41.233 -2.544 1.00 0.00 WAT +ATOM 40753 H2 TIP3 11481 38.970 41.104 -3.813 1.00 0.00 WAT +ATOM 40754 OH2 TIP3 11482 38.000 39.372 9.230 1.00 0.00 WAT +ATOM 40755 H1 TIP3 11482 37.388 40.124 9.343 1.00 0.00 WAT +ATOM 40756 H2 TIP3 11482 38.535 39.668 8.477 1.00 0.00 WAT +ATOM 40757 OH2 TIP3 11483 42.795 41.963 12.806 1.00 0.00 WAT +ATOM 40758 H1 TIP3 11483 43.459 41.751 12.149 1.00 0.00 WAT +ATOM 40759 H2 TIP3 11483 42.508 41.075 13.055 1.00 0.00 WAT +ATOM 40760 OH2 TIP3 11484 38.575 36.641 10.319 1.00 0.00 WAT +ATOM 40761 H1 TIP3 11484 38.616 35.992 9.594 1.00 0.00 WAT +ATOM 40762 H2 TIP3 11484 38.386 37.462 9.831 1.00 0.00 WAT +ATOM 40763 OH2 TIP3 11485 38.870 35.097 7.728 1.00 0.00 WAT +ATOM 40764 H1 TIP3 11485 39.359 35.672 7.104 1.00 0.00 WAT +ATOM 40765 H2 TIP3 11485 37.953 35.133 7.385 1.00 0.00 WAT +ATOM 40766 OH2 TIP3 11486 40.595 40.638 7.989 1.00 0.00 WAT +ATOM 40767 H1 TIP3 11486 41.307 40.592 7.334 1.00 0.00 WAT +ATOM 40768 H2 TIP3 11486 40.136 41.443 7.708 1.00 0.00 WAT +ATOM 40769 OH2 TIP3 11487 36.692 38.489 12.114 1.00 0.00 WAT +ATOM 40770 H1 TIP3 11487 36.184 37.657 12.070 1.00 0.00 WAT +ATOM 40771 H2 TIP3 11487 37.502 38.248 11.637 1.00 0.00 WAT +ATOM 40772 OH2 TIP3 11488 39.706 32.476 8.107 1.00 0.00 WAT +ATOM 40773 H1 TIP3 11488 39.474 33.412 7.921 1.00 0.00 WAT +ATOM 40774 H2 TIP3 11488 39.056 32.010 7.549 1.00 0.00 WAT +ATOM 40775 OH2 TIP3 11489 41.043 36.918 11.826 1.00 0.00 WAT +ATOM 40776 H1 TIP3 11489 40.651 36.716 12.690 1.00 0.00 WAT +ATOM 40777 H2 TIP3 11489 40.288 36.708 11.242 1.00 0.00 WAT +ATOM 40778 OH2 TIP3 11490 35.404 35.942 11.925 1.00 0.00 WAT +ATOM 40779 H1 TIP3 11490 35.310 35.249 11.252 1.00 0.00 WAT +ATOM 40780 H2 TIP3 11490 35.165 35.458 12.738 1.00 0.00 WAT +ATOM 40781 OH2 TIP3 11491 39.448 31.935 10.925 1.00 0.00 WAT +ATOM 40782 H1 TIP3 11491 40.050 31.179 10.958 1.00 0.00 WAT +ATOM 40783 H2 TIP3 11491 39.407 32.097 9.962 1.00 0.00 WAT +ATOM 40784 OH2 TIP3 11492 40.346 33.730 12.877 1.00 0.00 WAT +ATOM 40785 H1 TIP3 11492 40.079 33.190 12.105 1.00 0.00 WAT +ATOM 40786 H2 TIP3 11492 39.732 34.480 12.824 1.00 0.00 WAT +ATOM 40787 OH2 TIP3 11493 32.716 41.885 5.113 1.00 0.00 WAT +ATOM 40788 H1 TIP3 11493 32.809 42.025 4.158 1.00 0.00 WAT +ATOM 40789 H2 TIP3 11493 33.621 41.602 5.365 1.00 0.00 WAT +ATOM 40790 OH2 TIP3 11494 32.709 37.164 11.358 1.00 0.00 WAT +ATOM 40791 H1 TIP3 11494 33.642 36.891 11.327 1.00 0.00 WAT +ATOM 40792 H2 TIP3 11494 32.257 36.302 11.387 1.00 0.00 WAT +ATOM 40793 OH2 TIP3 11495 33.483 35.469 4.138 1.00 0.00 WAT +ATOM 40794 H1 TIP3 11495 33.950 34.616 4.186 1.00 0.00 WAT +ATOM 40795 H2 TIP3 11495 34.177 36.074 4.460 1.00 0.00 WAT +ATOM 40796 OH2 TIP3 11496 32.030 38.147 5.192 1.00 0.00 WAT +ATOM 40797 H1 TIP3 11496 32.611 38.106 4.415 1.00 0.00 WAT +ATOM 40798 H2 TIP3 11496 32.360 38.943 5.628 1.00 0.00 WAT +ATOM 40799 OH2 TIP3 11497 32.525 34.485 -0.775 1.00 0.00 WAT +ATOM 40800 H1 TIP3 11497 31.582 34.539 -1.003 1.00 0.00 WAT +ATOM 40801 H2 TIP3 11497 32.944 35.090 -1.421 1.00 0.00 WAT +ATOM 40802 OH2 TIP3 11498 32.571 33.380 7.382 1.00 0.00 WAT +ATOM 40803 H1 TIP3 11498 31.851 33.100 7.964 1.00 0.00 WAT +ATOM 40804 H2 TIP3 11498 32.081 33.892 6.711 1.00 0.00 WAT +ATOM 40805 OH2 TIP3 11499 42.679 33.929 3.674 1.00 0.00 WAT +ATOM 40806 H1 TIP3 11499 41.823 33.478 3.781 1.00 0.00 WAT +ATOM 40807 H2 TIP3 11499 42.934 33.632 2.795 1.00 0.00 WAT +ATOM 40808 OH2 TIP3 11500 34.793 32.999 1.208 1.00 0.00 WAT +ATOM 40809 H1 TIP3 11500 33.942 32.891 0.739 1.00 0.00 WAT +ATOM 40810 H2 TIP3 11500 35.219 32.140 1.028 1.00 0.00 WAT +ATOM 40811 OH2 TIP3 11501 33.650 32.489 -2.930 1.00 0.00 WAT +ATOM 40812 H1 TIP3 11501 34.152 33.137 -3.467 1.00 0.00 WAT +ATOM 40813 H2 TIP3 11501 33.222 33.064 -2.277 1.00 0.00 WAT +ATOM 40814 OH2 TIP3 11502 39.350 32.811 1.069 1.00 0.00 WAT +ATOM 40815 H1 TIP3 11502 40.269 33.128 0.998 1.00 0.00 WAT +ATOM 40816 H2 TIP3 11502 39.265 32.731 2.026 1.00 0.00 WAT +ATOM 40817 OH2 TIP3 11503 35.282 34.275 -4.481 1.00 0.00 WAT +ATOM 40818 H1 TIP3 11503 35.910 33.850 -5.087 1.00 0.00 WAT +ATOM 40819 H2 TIP3 11503 35.888 34.687 -3.837 1.00 0.00 WAT +ATOM 40820 OH2 TIP3 11504 40.671 34.465 -1.944 1.00 0.00 WAT +ATOM 40821 H1 TIP3 11504 40.615 33.877 -1.179 1.00 0.00 WAT +ATOM 40822 H2 TIP3 11504 40.627 35.343 -1.514 1.00 0.00 WAT +ATOM 40823 OH2 TIP3 11505 34.595 33.245 10.721 1.00 0.00 WAT +ATOM 40824 H1 TIP3 11505 34.204 32.421 11.062 1.00 0.00 WAT +ATOM 40825 H2 TIP3 11505 35.526 33.120 10.963 1.00 0.00 WAT +ATOM 40826 OH2 TIP3 11506 36.999 32.636 12.462 1.00 0.00 WAT +ATOM 40827 H1 TIP3 11506 37.821 32.290 12.061 1.00 0.00 WAT +ATOM 40828 H2 TIP3 11506 36.636 31.831 12.864 1.00 0.00 WAT +ATOM 40829 OH2 TIP3 11507 -31.604 -33.665 20.304 1.00 0.00 WAT +ATOM 40830 H1 TIP3 11507 -31.609 -32.698 20.393 1.00 0.00 WAT +ATOM 40831 H2 TIP3 11507 -32.365 -33.804 19.723 1.00 0.00 WAT +ATOM 40832 OH2 TIP3 11508 -32.755 -34.217 23.372 1.00 0.00 WAT +ATOM 40833 H1 TIP3 11508 -32.764 -34.795 24.152 1.00 0.00 WAT +ATOM 40834 H2 TIP3 11508 -33.016 -34.833 22.672 1.00 0.00 WAT +ATOM 40835 OH2 TIP3 11509 -40.288 -34.639 25.009 1.00 0.00 WAT +ATOM 40836 H1 TIP3 11509 -40.323 -35.375 25.648 1.00 0.00 WAT +ATOM 40837 H2 TIP3 11509 -39.587 -34.092 25.388 1.00 0.00 WAT +ATOM 40838 OH2 TIP3 11510 -29.071 -31.487 21.689 1.00 0.00 WAT +ATOM 40839 H1 TIP3 11510 -29.444 -32.200 22.222 1.00 0.00 WAT +ATOM 40840 H2 TIP3 11510 -28.778 -30.870 22.373 1.00 0.00 WAT +ATOM 40841 OH2 TIP3 11511 -39.593 -30.020 23.535 1.00 0.00 WAT +ATOM 40842 H1 TIP3 11511 -39.873 -30.915 23.258 1.00 0.00 WAT +ATOM 40843 H2 TIP3 11511 -38.650 -30.173 23.697 1.00 0.00 WAT +ATOM 40844 OH2 TIP3 11512 -41.695 -35.612 18.365 1.00 0.00 WAT +ATOM 40845 H1 TIP3 11512 -42.176 -34.957 18.900 1.00 0.00 WAT +ATOM 40846 H2 TIP3 11512 -42.205 -36.398 18.602 1.00 0.00 WAT +ATOM 40847 OH2 TIP3 11513 -42.111 -34.126 20.789 1.00 0.00 WAT +ATOM 40848 H1 TIP3 11513 -41.870 -34.888 21.344 1.00 0.00 WAT +ATOM 40849 H2 TIP3 11513 -41.263 -33.856 20.420 1.00 0.00 WAT +ATOM 40850 OH2 TIP3 11514 -32.004 -26.126 22.259 1.00 0.00 WAT +ATOM 40851 H1 TIP3 11514 -31.418 -26.830 21.921 1.00 0.00 WAT +ATOM 40852 H2 TIP3 11514 -32.277 -26.490 23.110 1.00 0.00 WAT +ATOM 40853 OH2 TIP3 11515 -34.264 -31.715 23.941 1.00 0.00 WAT +ATOM 40854 H1 TIP3 11515 -33.944 -32.429 23.360 1.00 0.00 WAT +ATOM 40855 H2 TIP3 11515 -33.444 -31.563 24.450 1.00 0.00 WAT +ATOM 40856 OH2 TIP3 11516 -25.714 -40.165 24.498 1.00 0.00 WAT +ATOM 40857 H1 TIP3 11516 -25.367 -39.725 25.291 1.00 0.00 WAT +ATOM 40858 H2 TIP3 11516 -25.055 -39.881 23.838 1.00 0.00 WAT +ATOM 40859 OH2 TIP3 11517 -30.986 -37.402 24.453 1.00 0.00 WAT +ATOM 40860 H1 TIP3 11517 -30.779 -38.352 24.465 1.00 0.00 WAT +ATOM 40861 H2 TIP3 11517 -31.061 -37.239 23.499 1.00 0.00 WAT +ATOM 40862 OH2 TIP3 11518 -38.020 -39.405 21.555 1.00 0.00 WAT +ATOM 40863 H1 TIP3 11518 -37.837 -38.561 21.096 1.00 0.00 WAT +ATOM 40864 H2 TIP3 11518 -38.325 -39.948 20.804 1.00 0.00 WAT +ATOM 40865 OH2 TIP3 11519 -30.109 -39.204 19.888 1.00 0.00 WAT +ATOM 40866 H1 TIP3 11519 -29.497 -39.646 20.512 1.00 0.00 WAT +ATOM 40867 H2 TIP3 11519 -29.482 -38.775 19.288 1.00 0.00 WAT +ATOM 40868 OH2 TIP3 11520 -41.387 -36.603 22.044 1.00 0.00 WAT +ATOM 40869 H1 TIP3 11520 -40.808 -37.044 22.688 1.00 0.00 WAT +ATOM 40870 H2 TIP3 11520 -41.222 -37.143 21.252 1.00 0.00 WAT +ATOM 40871 OH2 TIP3 11521 -35.932 -35.257 21.494 1.00 0.00 WAT +ATOM 40872 H1 TIP3 11521 -35.215 -35.803 21.873 1.00 0.00 WAT +ATOM 40873 H2 TIP3 11521 -36.429 -35.926 20.988 1.00 0.00 WAT +ATOM 40874 OH2 TIP3 11522 -24.765 -38.476 27.148 1.00 0.00 WAT +ATOM 40875 H1 TIP3 11522 -25.529 -37.973 26.820 1.00 0.00 WAT +ATOM 40876 H2 TIP3 11522 -25.134 -38.893 27.934 1.00 0.00 WAT +ATOM 40877 OH2 TIP3 11523 -39.165 -40.507 25.745 1.00 0.00 WAT +ATOM 40878 H1 TIP3 11523 -39.574 -40.087 24.974 1.00 0.00 WAT +ATOM 40879 H2 TIP3 11523 -39.865 -40.365 26.412 1.00 0.00 WAT +ATOM 40880 OH2 TIP3 11524 -31.709 -30.823 19.089 1.00 0.00 WAT +ATOM 40881 H1 TIP3 11524 -31.997 -31.044 18.199 1.00 0.00 WAT +ATOM 40882 H2 TIP3 11524 -32.162 -29.977 19.255 1.00 0.00 WAT +ATOM 40883 OH2 TIP3 11525 -36.245 -32.695 25.813 1.00 0.00 WAT +ATOM 40884 H1 TIP3 11525 -36.978 -32.093 26.059 1.00 0.00 WAT +ATOM 40885 H2 TIP3 11525 -35.628 -32.096 25.353 1.00 0.00 WAT +ATOM 40886 OH2 TIP3 11526 -28.236 -40.134 21.904 1.00 0.00 WAT +ATOM 40887 H1 TIP3 11526 -28.714 -40.604 22.598 1.00 0.00 WAT +ATOM 40888 H2 TIP3 11526 -27.712 -39.502 22.424 1.00 0.00 WAT +ATOM 40889 OH2 TIP3 11527 -39.587 -38.501 23.616 1.00 0.00 WAT +ATOM 40890 H1 TIP3 11527 -38.933 -37.924 24.061 1.00 0.00 WAT +ATOM 40891 H2 TIP3 11527 -39.026 -38.878 22.901 1.00 0.00 WAT +ATOM 40892 OH2 TIP3 11528 -38.268 -30.830 26.553 1.00 0.00 WAT +ATOM 40893 H1 TIP3 11528 -38.301 -29.922 26.202 1.00 0.00 WAT +ATOM 40894 H2 TIP3 11528 -39.161 -30.892 26.941 1.00 0.00 WAT +ATOM 40895 OH2 TIP3 11529 -41.829 -31.191 17.442 1.00 0.00 WAT +ATOM 40896 H1 TIP3 11529 -42.634 -31.010 16.917 1.00 0.00 WAT +ATOM 40897 H2 TIP3 11529 -41.927 -30.585 18.194 1.00 0.00 WAT +ATOM 40898 OH2 TIP3 11530 -28.512 -29.671 24.198 1.00 0.00 WAT +ATOM 40899 H1 TIP3 11530 -29.480 -29.554 24.197 1.00 0.00 WAT +ATOM 40900 H2 TIP3 11530 -28.228 -28.823 23.812 1.00 0.00 WAT +ATOM 40901 OH2 TIP3 11531 -28.082 -41.101 25.910 1.00 0.00 WAT +ATOM 40902 H1 TIP3 11531 -28.885 -40.778 25.469 1.00 0.00 WAT +ATOM 40903 H2 TIP3 11531 -27.414 -40.966 25.211 1.00 0.00 WAT +ATOM 40904 OH2 TIP3 11532 -34.964 43.819 22.980 1.00 0.00 WAT +ATOM 40905 H1 TIP3 11532 -35.013 42.858 23.026 1.00 0.00 WAT +ATOM 40906 H2 TIP3 11532 -35.860 44.118 23.229 1.00 0.00 WAT +ATOM 40907 OH2 TIP3 11533 -30.196 -27.741 20.775 1.00 0.00 WAT +ATOM 40908 H1 TIP3 11533 -29.720 -28.532 20.447 1.00 0.00 WAT +ATOM 40909 H2 TIP3 11533 -29.529 -27.045 20.627 1.00 0.00 WAT +ATOM 40910 OH2 TIP3 11534 -28.768 -29.868 19.385 1.00 0.00 WAT +ATOM 40911 H1 TIP3 11534 -29.250 -30.330 18.684 1.00 0.00 WAT +ATOM 40912 H2 TIP3 11534 -28.822 -30.520 20.111 1.00 0.00 WAT +ATOM 40913 OH2 TIP3 11535 -27.225 -31.044 27.854 1.00 0.00 WAT +ATOM 40914 H1 TIP3 11535 -27.320 -31.697 27.136 1.00 0.00 WAT +ATOM 40915 H2 TIP3 11535 -27.083 -30.217 27.356 1.00 0.00 WAT +ATOM 40916 OH2 TIP3 11536 -32.958 -34.142 17.562 1.00 0.00 WAT +ATOM 40917 H1 TIP3 11536 -33.616 -33.541 17.166 1.00 0.00 WAT +ATOM 40918 H2 TIP3 11536 -32.236 -34.104 16.913 1.00 0.00 WAT +ATOM 40919 OH2 TIP3 11537 -32.670 -35.958 14.616 1.00 0.00 WAT +ATOM 40920 H1 TIP3 11537 -31.973 -35.647 15.222 1.00 0.00 WAT +ATOM 40921 H2 TIP3 11537 -32.153 -36.530 14.030 1.00 0.00 WAT +ATOM 40922 OH2 TIP3 11538 -25.462 -34.878 25.801 1.00 0.00 WAT +ATOM 40923 H1 TIP3 11538 -26.183 -34.224 25.878 1.00 0.00 WAT +ATOM 40924 H2 TIP3 11538 -24.983 -34.540 25.020 1.00 0.00 WAT +ATOM 40925 OH2 TIP3 11539 -29.438 -34.144 18.636 1.00 0.00 WAT +ATOM 40926 H1 TIP3 11539 -30.121 -33.931 19.311 1.00 0.00 WAT +ATOM 40927 H2 TIP3 11539 -28.835 -34.706 19.155 1.00 0.00 WAT +ATOM 40928 OH2 TIP3 11540 -29.601 -35.621 27.469 1.00 0.00 WAT +ATOM 40929 H1 TIP3 11540 -29.539 -34.805 27.992 1.00 0.00 WAT +ATOM 40930 H2 TIP3 11540 -30.248 -35.323 26.804 1.00 0.00 WAT +ATOM 40931 OH2 TIP3 11541 -37.829 -33.365 20.402 1.00 0.00 WAT +ATOM 40932 H1 TIP3 11541 -38.152 -33.802 19.590 1.00 0.00 WAT +ATOM 40933 H2 TIP3 11541 -37.183 -34.014 20.734 1.00 0.00 WAT +ATOM 40934 OH2 TIP3 11542 -36.480 -29.980 23.159 1.00 0.00 WAT +ATOM 40935 H1 TIP3 11542 -36.589 -30.341 22.268 1.00 0.00 WAT +ATOM 40936 H2 TIP3 11542 -35.675 -30.444 23.463 1.00 0.00 WAT +ATOM 40937 OH2 TIP3 11543 -37.273 -34.552 23.897 1.00 0.00 WAT +ATOM 40938 H1 TIP3 11543 -36.700 -34.536 23.105 1.00 0.00 WAT +ATOM 40939 H2 TIP3 11543 -36.855 -33.891 24.478 1.00 0.00 WAT +ATOM 40940 OH2 TIP3 11544 -31.340 -29.038 24.480 1.00 0.00 WAT +ATOM 40941 H1 TIP3 11544 -31.285 -28.384 25.196 1.00 0.00 WAT +ATOM 40942 H2 TIP3 11544 -31.539 -29.870 24.945 1.00 0.00 WAT +ATOM 40943 OH2 TIP3 11545 -36.422 -30.235 28.736 1.00 0.00 WAT +ATOM 40944 H1 TIP3 11545 -36.960 -29.567 29.198 1.00 0.00 WAT +ATOM 40945 H2 TIP3 11545 -37.044 -30.522 28.039 1.00 0.00 WAT +ATOM 40946 OH2 TIP3 11546 -30.488 -34.704 16.095 1.00 0.00 WAT +ATOM 40947 H1 TIP3 11546 -30.010 -34.431 16.906 1.00 0.00 WAT +ATOM 40948 H2 TIP3 11546 -29.988 -34.199 15.407 1.00 0.00 WAT +ATOM 40949 OH2 TIP3 11547 -39.556 -33.898 27.894 1.00 0.00 WAT +ATOM 40950 H1 TIP3 11547 -39.480 -33.301 28.658 1.00 0.00 WAT +ATOM 40951 H2 TIP3 11547 -40.523 -33.936 27.776 1.00 0.00 WAT +ATOM 40952 OH2 TIP3 11548 -33.033 -28.098 19.658 1.00 0.00 WAT +ATOM 40953 H1 TIP3 11548 -32.557 -27.800 20.442 1.00 0.00 WAT +ATOM 40954 H2 TIP3 11548 -33.523 -27.309 19.383 1.00 0.00 WAT +ATOM 40955 OH2 TIP3 11549 -38.354 -28.070 29.596 1.00 0.00 WAT +ATOM 40956 H1 TIP3 11549 -38.411 -28.014 28.625 1.00 0.00 WAT +ATOM 40957 H2 TIP3 11549 -39.273 -28.268 29.852 1.00 0.00 WAT +ATOM 40958 OH2 TIP3 11550 -27.301 -43.033 15.337 1.00 0.00 WAT +ATOM 40959 H1 TIP3 11550 -27.654 -43.235 16.211 1.00 0.00 WAT +ATOM 40960 H2 TIP3 11550 -26.469 -42.608 15.579 1.00 0.00 WAT +ATOM 40961 OH2 TIP3 11551 -38.912 -34.651 17.922 1.00 0.00 WAT +ATOM 40962 H1 TIP3 11551 -39.170 -33.889 17.380 1.00 0.00 WAT +ATOM 40963 H2 TIP3 11551 -39.706 -35.213 17.852 1.00 0.00 WAT +ATOM 40964 OH2 TIP3 11552 -25.681 -28.826 14.153 1.00 0.00 WAT +ATOM 40965 H1 TIP3 11552 -25.515 -27.884 14.356 1.00 0.00 WAT +ATOM 40966 H2 TIP3 11552 -24.808 -29.224 14.333 1.00 0.00 WAT +ATOM 40967 OH2 TIP3 11553 -42.669 -31.805 26.467 1.00 0.00 WAT +ATOM 40968 H1 TIP3 11553 -42.864 -32.144 25.576 1.00 0.00 WAT +ATOM 40969 H2 TIP3 11553 -43.063 -32.500 27.022 1.00 0.00 WAT +ATOM 40970 OH2 TIP3 11554 -42.814 -29.004 23.435 1.00 0.00 WAT +ATOM 40971 H1 TIP3 11554 -41.974 -29.442 23.622 1.00 0.00 WAT +ATOM 40972 H2 TIP3 11554 -42.989 -28.528 24.254 1.00 0.00 WAT +ATOM 40973 OH2 TIP3 11555 -24.440 -28.415 29.377 1.00 0.00 WAT +ATOM 40974 H1 TIP3 11555 -24.537 -29.366 29.195 1.00 0.00 WAT +ATOM 40975 H2 TIP3 11555 -25.347 -28.193 29.683 1.00 0.00 WAT +ATOM 40976 OH2 TIP3 11556 -33.780 -29.188 28.180 1.00 0.00 WAT +ATOM 40977 H1 TIP3 11556 -33.718 -28.376 28.716 1.00 0.00 WAT +ATOM 40978 H2 TIP3 11556 -34.686 -29.494 28.383 1.00 0.00 WAT +ATOM 40979 OH2 TIP3 11557 -33.520 -25.374 18.144 1.00 0.00 WAT +ATOM 40980 H1 TIP3 11557 -33.477 -25.297 17.175 1.00 0.00 WAT +ATOM 40981 H2 TIP3 11557 -33.420 -24.456 18.441 1.00 0.00 WAT +ATOM 40982 OH2 TIP3 11558 -39.782 -26.237 19.783 1.00 0.00 WAT +ATOM 40983 H1 TIP3 11558 -39.535 -26.658 20.630 1.00 0.00 WAT +ATOM 40984 H2 TIP3 11558 -40.552 -26.784 19.550 1.00 0.00 WAT +ATOM 40985 OH2 TIP3 11559 -30.187 -25.955 15.335 1.00 0.00 WAT +ATOM 40986 H1 TIP3 11559 -29.606 -26.597 14.880 1.00 0.00 WAT +ATOM 40987 H2 TIP3 11559 -30.235 -26.346 16.231 1.00 0.00 WAT +ATOM 40988 OH2 TIP3 11560 -30.801 -26.531 18.138 1.00 0.00 WAT +ATOM 40989 H1 TIP3 11560 -31.757 -26.415 18.273 1.00 0.00 WAT +ATOM 40990 H2 TIP3 11560 -30.630 -27.262 18.757 1.00 0.00 WAT +ATOM 40991 OH2 TIP3 11561 -27.638 -37.085 29.768 1.00 0.00 WAT +ATOM 40992 H1 TIP3 11561 -28.133 -36.690 29.037 1.00 0.00 WAT +ATOM 40993 H2 TIP3 11561 -27.560 -38.012 29.476 1.00 0.00 WAT +ATOM 40994 OH2 TIP3 11562 -40.720 -30.405 27.957 1.00 0.00 WAT +ATOM 40995 H1 TIP3 11562 -40.422 -30.993 28.673 1.00 0.00 WAT +ATOM 40996 H2 TIP3 11562 -41.469 -30.897 27.555 1.00 0.00 WAT +ATOM 40997 OH2 TIP3 11563 -37.525 -42.209 23.827 1.00 0.00 WAT +ATOM 40998 H1 TIP3 11563 -38.392 -42.301 23.406 1.00 0.00 WAT +ATOM 40999 H2 TIP3 11563 -37.641 -41.354 24.265 1.00 0.00 WAT +ATOM 41000 OH2 TIP3 11564 -32.905 -42.614 27.411 1.00 0.00 WAT +ATOM 41001 H1 TIP3 11564 -32.714 -43.103 28.217 1.00 0.00 WAT +ATOM 41002 H2 TIP3 11564 -33.851 -42.779 27.304 1.00 0.00 WAT +ATOM 41003 OH2 TIP3 11565 -29.937 -38.637 27.821 1.00 0.00 WAT +ATOM 41004 H1 TIP3 11565 -30.515 -38.751 28.597 1.00 0.00 WAT +ATOM 41005 H2 TIP3 11565 -29.986 -37.682 27.645 1.00 0.00 WAT +ATOM 41006 OH2 TIP3 11566 -28.932 -33.627 14.100 1.00 0.00 WAT +ATOM 41007 H1 TIP3 11566 -29.140 -33.797 13.161 1.00 0.00 WAT +ATOM 41008 H2 TIP3 11566 -27.993 -33.375 14.033 1.00 0.00 WAT +ATOM 41009 OH2 TIP3 11567 -33.299 -39.927 14.553 1.00 0.00 WAT +ATOM 41010 H1 TIP3 11567 -33.833 -40.042 15.362 1.00 0.00 WAT +ATOM 41011 H2 TIP3 11567 -33.783 -40.541 13.958 1.00 0.00 WAT +ATOM 41012 OH2 TIP3 11568 -37.605 -37.145 25.094 1.00 0.00 WAT +ATOM 41013 H1 TIP3 11568 -38.219 -37.035 25.838 1.00 0.00 WAT +ATOM 41014 H2 TIP3 11568 -37.548 -36.237 24.728 1.00 0.00 WAT +ATOM 41015 OH2 TIP3 11569 -37.692 -37.094 19.982 1.00 0.00 WAT +ATOM 41016 H1 TIP3 11569 -38.647 -37.146 19.796 1.00 0.00 WAT +ATOM 41017 H2 TIP3 11569 -37.330 -37.260 19.089 1.00 0.00 WAT +ATOM 41018 OH2 TIP3 11570 -32.055 -36.511 18.745 1.00 0.00 WAT +ATOM 41019 H1 TIP3 11570 -32.466 -35.686 18.407 1.00 0.00 WAT +ATOM 41020 H2 TIP3 11570 -31.384 -36.678 18.064 1.00 0.00 WAT +ATOM 41021 OH2 TIP3 11571 -32.878 -36.303 30.107 1.00 0.00 WAT +ATOM 41022 H1 TIP3 11571 -33.382 -37.066 30.455 1.00 0.00 WAT +ATOM 41023 H2 TIP3 11571 -32.000 -36.441 30.512 1.00 0.00 WAT +ATOM 41024 OH2 TIP3 11572 -31.208 -37.110 21.527 1.00 0.00 WAT +ATOM 41025 H1 TIP3 11572 -31.503 -36.539 20.789 1.00 0.00 WAT +ATOM 41026 H2 TIP3 11572 -30.992 -37.920 21.022 1.00 0.00 WAT +ATOM 41027 OH2 TIP3 11573 -40.255 -36.975 26.923 1.00 0.00 WAT +ATOM 41028 H1 TIP3 11573 -39.961 -36.638 27.777 1.00 0.00 WAT +ATOM 41029 H2 TIP3 11573 -40.524 -37.885 27.150 1.00 0.00 WAT +ATOM 41030 OH2 TIP3 11574 -36.893 -39.404 13.509 1.00 0.00 WAT +ATOM 41031 H1 TIP3 11574 -37.238 -39.786 14.336 1.00 0.00 WAT +ATOM 41032 H2 TIP3 11574 -37.686 -39.267 12.980 1.00 0.00 WAT +ATOM 41033 OH2 TIP3 11575 -43.247 -39.424 20.569 1.00 0.00 WAT +ATOM 41034 H1 TIP3 11575 -43.045 -39.692 21.486 1.00 0.00 WAT +ATOM 41035 H2 TIP3 11575 -42.878 -40.143 20.052 1.00 0.00 WAT +ATOM 41036 OH2 TIP3 11576 -42.137 -38.815 16.451 1.00 0.00 WAT +ATOM 41037 H1 TIP3 11576 -41.516 -38.612 15.722 1.00 0.00 WAT +ATOM 41038 H2 TIP3 11576 -42.979 -38.631 16.023 1.00 0.00 WAT +ATOM 41039 OH2 TIP3 11577 -32.111 -35.434 25.987 1.00 0.00 WAT +ATOM 41040 H1 TIP3 11577 -31.679 -36.158 25.478 1.00 0.00 WAT +ATOM 41041 H2 TIP3 11577 -32.440 -35.912 26.760 1.00 0.00 WAT +ATOM 41042 OH2 TIP3 11578 -34.898 -39.404 20.975 1.00 0.00 WAT +ATOM 41043 H1 TIP3 11578 -35.829 -39.603 21.169 1.00 0.00 WAT +ATOM 41044 H2 TIP3 11578 -34.461 -39.724 21.782 1.00 0.00 WAT +ATOM 41045 OH2 TIP3 11579 -40.385 -38.243 19.650 1.00 0.00 WAT +ATOM 41046 H1 TIP3 11579 -41.221 -38.189 19.174 1.00 0.00 WAT +ATOM 41047 H2 TIP3 11579 -40.002 -39.066 19.289 1.00 0.00 WAT +ATOM 41048 OH2 TIP3 11580 -36.717 -37.914 17.367 1.00 0.00 WAT +ATOM 41049 H1 TIP3 11580 -35.747 -37.851 17.411 1.00 0.00 WAT +ATOM 41050 H2 TIP3 11580 -36.956 -37.306 16.646 1.00 0.00 WAT +ATOM 41051 OH2 TIP3 11581 -30.562 -40.327 24.017 1.00 0.00 WAT +ATOM 41052 H1 TIP3 11581 -31.203 -40.348 24.755 1.00 0.00 WAT +ATOM 41053 H2 TIP3 11581 -31.134 -40.631 23.292 1.00 0.00 WAT +ATOM 41054 OH2 TIP3 11582 -38.246 -36.691 15.107 1.00 0.00 WAT +ATOM 41055 H1 TIP3 11582 -38.816 -36.988 14.385 1.00 0.00 WAT +ATOM 41056 H2 TIP3 11582 -37.425 -36.477 14.631 1.00 0.00 WAT +ATOM 41057 OH2 TIP3 11583 -27.511 -24.542 30.686 1.00 0.00 WAT +ATOM 41058 H1 TIP3 11583 -27.265 -24.122 29.843 1.00 0.00 WAT +ATOM 41059 H2 TIP3 11583 -26.772 -24.275 31.261 1.00 0.00 WAT +ATOM 41060 OH2 TIP3 11584 -39.498 -31.956 30.126 1.00 0.00 WAT +ATOM 41061 H1 TIP3 11584 -38.897 -31.881 30.893 1.00 0.00 WAT +ATOM 41062 H2 TIP3 11584 -40.363 -31.866 30.583 1.00 0.00 WAT +ATOM 41063 OH2 TIP3 11585 -33.884 -36.933 22.834 1.00 0.00 WAT +ATOM 41064 H1 TIP3 11585 -33.172 -37.372 22.345 1.00 0.00 WAT +ATOM 41065 H2 TIP3 11585 -34.052 -37.568 23.557 1.00 0.00 WAT +ATOM 41066 OH2 TIP3 11586 -38.803 -40.605 19.053 1.00 0.00 WAT +ATOM 41067 H1 TIP3 11586 -39.214 -41.475 19.183 1.00 0.00 WAT +ATOM 41068 H2 TIP3 11586 -37.943 -40.841 18.672 1.00 0.00 WAT +ATOM 41069 OH2 TIP3 11587 -34.925 -38.494 25.078 1.00 0.00 WAT +ATOM 41070 H1 TIP3 11587 -35.679 -37.882 25.074 1.00 0.00 WAT +ATOM 41071 H2 TIP3 11587 -34.427 -38.226 25.877 1.00 0.00 WAT +ATOM 41072 OH2 TIP3 11588 -34.799 -32.071 16.955 1.00 0.00 WAT +ATOM 41073 H1 TIP3 11588 -35.553 -32.596 16.612 1.00 0.00 WAT +ATOM 41074 H2 TIP3 11588 -34.974 -32.052 17.923 1.00 0.00 WAT +ATOM 41075 OH2 TIP3 11589 -27.556 -32.929 25.705 1.00 0.00 WAT +ATOM 41076 H1 TIP3 11589 -27.055 -32.392 25.053 1.00 0.00 WAT +ATOM 41077 H2 TIP3 11589 -28.407 -33.048 25.239 1.00 0.00 WAT +ATOM 41078 OH2 TIP3 11590 -30.617 -39.322 14.597 1.00 0.00 WAT +ATOM 41079 H1 TIP3 11590 -31.600 -39.379 14.611 1.00 0.00 WAT +ATOM 41080 H2 TIP3 11590 -30.425 -38.623 15.252 1.00 0.00 WAT +ATOM 41081 OH2 TIP3 11591 -33.133 -32.081 28.285 1.00 0.00 WAT +ATOM 41082 H1 TIP3 11591 -33.427 -32.409 29.145 1.00 0.00 WAT +ATOM 41083 H2 TIP3 11591 -33.441 -31.163 28.286 1.00 0.00 WAT +ATOM 41084 OH2 TIP3 11592 -29.963 -37.486 16.744 1.00 0.00 WAT +ATOM 41085 H1 TIP3 11592 -29.091 -37.633 17.161 1.00 0.00 WAT +ATOM 41086 H2 TIP3 11592 -29.854 -36.604 16.345 1.00 0.00 WAT +ATOM 41087 OH2 TIP3 11593 -39.725 -32.751 22.703 1.00 0.00 WAT +ATOM 41088 H1 TIP3 11593 -39.095 -32.851 21.967 1.00 0.00 WAT +ATOM 41089 H2 TIP3 11593 -39.615 -33.592 23.176 1.00 0.00 WAT +ATOM 41090 OH2 TIP3 11594 -32.379 -30.729 15.889 1.00 0.00 WAT +ATOM 41091 H1 TIP3 11594 -32.636 -29.868 16.276 1.00 0.00 WAT +ATOM 41092 H2 TIP3 11594 -33.130 -31.286 16.163 1.00 0.00 WAT +ATOM 41093 OH2 TIP3 11595 -42.392 -34.254 28.333 1.00 0.00 WAT +ATOM 41094 H1 TIP3 11595 -42.305 -34.914 29.041 1.00 0.00 WAT +ATOM 41095 H2 TIP3 11595 -42.868 -34.764 27.636 1.00 0.00 WAT +ATOM 41096 OH2 TIP3 11596 -35.400 -34.909 30.037 1.00 0.00 WAT +ATOM 41097 H1 TIP3 11596 -35.762 -35.174 29.174 1.00 0.00 WAT +ATOM 41098 H2 TIP3 11596 -34.476 -35.208 29.942 1.00 0.00 WAT +ATOM 41099 OH2 TIP3 11597 -30.867 -29.476 27.761 1.00 0.00 WAT +ATOM 41100 H1 TIP3 11597 -31.834 -29.412 27.696 1.00 0.00 WAT +ATOM 41101 H2 TIP3 11597 -30.709 -29.242 28.687 1.00 0.00 WAT +ATOM 41102 OH2 TIP3 11598 -25.335 -37.460 16.523 1.00 0.00 WAT +ATOM 41103 H1 TIP3 11598 -25.910 -37.655 15.756 1.00 0.00 WAT +ATOM 41104 H2 TIP3 11598 -25.237 -36.496 16.390 1.00 0.00 WAT +ATOM 41105 OH2 TIP3 11599 -24.894 -31.404 29.330 1.00 0.00 WAT +ATOM 41106 H1 TIP3 11599 -25.831 -31.186 29.139 1.00 0.00 WAT +ATOM 41107 H2 TIP3 11599 -24.560 -31.584 28.430 1.00 0.00 WAT +ATOM 41108 OH2 TIP3 11600 -27.153 -28.838 16.627 1.00 0.00 WAT +ATOM 41109 H1 TIP3 11600 -27.342 -29.629 17.151 1.00 0.00 WAT +ATOM 41110 H2 TIP3 11600 -26.613 -29.180 15.899 1.00 0.00 WAT +ATOM 41111 OH2 TIP3 11601 -29.900 -33.502 24.014 1.00 0.00 WAT +ATOM 41112 H1 TIP3 11601 -30.829 -33.658 23.762 1.00 0.00 WAT +ATOM 41113 H2 TIP3 11601 -29.456 -34.218 23.517 1.00 0.00 WAT +ATOM 41114 OH2 TIP3 11602 -37.275 -29.412 20.075 1.00 0.00 WAT +ATOM 41115 H1 TIP3 11602 -36.852 -28.553 19.920 1.00 0.00 WAT +ATOM 41116 H2 TIP3 11602 -38.186 -29.236 19.805 1.00 0.00 WAT +ATOM 41117 OH2 TIP3 11603 -41.547 -34.466 14.748 1.00 0.00 WAT +ATOM 41118 H1 TIP3 11603 -40.813 -33.951 15.140 1.00 0.00 WAT +ATOM 41119 H2 TIP3 11603 -42.285 -33.868 14.921 1.00 0.00 WAT +ATOM 41120 OH2 TIP3 11604 -35.425 -31.728 19.677 1.00 0.00 WAT +ATOM 41121 H1 TIP3 11604 -35.730 -30.818 19.815 1.00 0.00 WAT +ATOM 41122 H2 TIP3 11604 -36.142 -32.234 20.087 1.00 0.00 WAT +ATOM 41123 OH2 TIP3 11605 -35.265 -27.460 26.029 1.00 0.00 WAT +ATOM 41124 H1 TIP3 11605 -34.704 -26.728 25.720 1.00 0.00 WAT +ATOM 41125 H2 TIP3 11605 -34.632 -27.976 26.553 1.00 0.00 WAT +ATOM 41126 OH2 TIP3 11606 -36.813 -26.521 19.272 1.00 0.00 WAT +ATOM 41127 H1 TIP3 11606 -37.768 -26.378 19.332 1.00 0.00 WAT +ATOM 41128 H2 TIP3 11606 -36.464 -25.638 19.495 1.00 0.00 WAT +ATOM 41129 OH2 TIP3 11607 -31.846 -31.710 25.594 1.00 0.00 WAT +ATOM 41130 H1 TIP3 11607 -32.136 -32.011 26.474 1.00 0.00 WAT +ATOM 41131 H2 TIP3 11607 -31.120 -32.326 25.400 1.00 0.00 WAT +ATOM 41132 OH2 TIP3 11608 -29.692 -30.416 14.507 1.00 0.00 WAT +ATOM 41133 H1 TIP3 11608 -29.261 -30.867 15.255 1.00 0.00 WAT +ATOM 41134 H2 TIP3 11608 -30.619 -30.557 14.763 1.00 0.00 WAT +ATOM 41135 OH2 TIP3 11609 -28.931 -27.129 27.998 1.00 0.00 WAT +ATOM 41136 H1 TIP3 11609 -29.670 -27.597 27.563 1.00 0.00 WAT +ATOM 41137 H2 TIP3 11609 -28.806 -26.354 27.420 1.00 0.00 WAT +ATOM 41138 OH2 TIP3 11610 -24.952 -26.149 15.049 1.00 0.00 WAT +ATOM 41139 H1 TIP3 11610 -24.256 -25.517 14.799 1.00 0.00 WAT +ATOM 41140 H2 TIP3 11610 -25.718 -25.547 15.027 1.00 0.00 WAT +ATOM 41141 OH2 TIP3 11611 -41.065 -39.602 27.701 1.00 0.00 WAT +ATOM 41142 H1 TIP3 11611 -41.962 -39.265 27.536 1.00 0.00 WAT +ATOM 41143 H2 TIP3 11611 -41.247 -40.479 28.108 1.00 0.00 WAT +ATOM 41144 OH2 TIP3 11612 -28.722 -31.786 16.914 1.00 0.00 WAT +ATOM 41145 H1 TIP3 11612 -28.988 -32.527 17.486 1.00 0.00 WAT +ATOM 41146 H2 TIP3 11612 -27.751 -31.828 16.975 1.00 0.00 WAT +ATOM 41147 OH2 TIP3 11613 -41.280 -27.991 26.111 1.00 0.00 WAT +ATOM 41148 H1 TIP3 11613 -41.091 -28.935 26.201 1.00 0.00 WAT +ATOM 41149 H2 TIP3 11613 -40.951 -27.665 26.955 1.00 0.00 WAT +ATOM 41150 OH2 TIP3 11614 -35.454 -29.360 13.083 1.00 0.00 WAT +ATOM 41151 H1 TIP3 11614 -35.151 -30.141 12.584 1.00 0.00 WAT +ATOM 41152 H2 TIP3 11614 -35.872 -29.778 13.854 1.00 0.00 WAT +ATOM 41153 OH2 TIP3 11615 -36.637 -29.857 15.814 1.00 0.00 WAT +ATOM 41154 H1 TIP3 11615 -36.100 -30.387 16.422 1.00 0.00 WAT +ATOM 41155 H2 TIP3 11615 -36.470 -28.944 16.128 1.00 0.00 WAT +ATOM 41156 OH2 TIP3 11616 -39.873 -32.437 16.124 1.00 0.00 WAT +ATOM 41157 H1 TIP3 11616 -40.566 -32.029 16.696 1.00 0.00 WAT +ATOM 41158 H2 TIP3 11616 -39.365 -31.640 15.902 1.00 0.00 WAT +ATOM 41159 OH2 TIP3 11617 -32.167 -40.062 26.315 1.00 0.00 WAT +ATOM 41160 H1 TIP3 11617 -31.510 -39.812 26.980 1.00 0.00 WAT +ATOM 41161 H2 TIP3 11617 -32.507 -40.914 26.648 1.00 0.00 WAT +ATOM 41162 OH2 TIP3 11618 -31.391 -40.555 17.450 1.00 0.00 WAT +ATOM 41163 H1 TIP3 11618 -31.281 -39.977 16.680 1.00 0.00 WAT +ATOM 41164 H2 TIP3 11618 -30.993 -40.020 18.157 1.00 0.00 WAT +ATOM 41165 OH2 TIP3 11619 -33.649 -28.213 16.434 1.00 0.00 WAT +ATOM 41166 H1 TIP3 11619 -34.475 -27.727 16.588 1.00 0.00 WAT +ATOM 41167 H2 TIP3 11619 -33.295 -27.763 15.654 1.00 0.00 WAT +ATOM 41168 OH2 TIP3 11620 -34.030 -38.514 18.445 1.00 0.00 WAT +ATOM 41169 H1 TIP3 11620 -33.286 -37.892 18.577 1.00 0.00 WAT +ATOM 41170 H2 TIP3 11620 -34.322 -38.672 19.366 1.00 0.00 WAT +ATOM 41171 OH2 TIP3 11621 -33.698 -37.606 27.571 1.00 0.00 WAT +ATOM 41172 H1 TIP3 11621 -33.603 -37.100 28.395 1.00 0.00 WAT +ATOM 41173 H2 TIP3 11621 -33.126 -38.368 27.729 1.00 0.00 WAT +ATOM 41174 OH2 TIP3 11622 -33.308 -41.735 19.434 1.00 0.00 WAT +ATOM 41175 H1 TIP3 11622 -33.640 -40.986 19.956 1.00 0.00 WAT +ATOM 41176 H2 TIP3 11622 -32.746 -41.285 18.776 1.00 0.00 WAT +ATOM 41177 OH2 TIP3 11623 -36.453 -27.148 16.423 1.00 0.00 WAT +ATOM 41178 H1 TIP3 11623 -36.523 -26.339 15.876 1.00 0.00 WAT +ATOM 41179 H2 TIP3 11623 -36.573 -26.798 17.324 1.00 0.00 WAT +ATOM 41180 OH2 TIP3 11624 -37.757 -40.505 15.966 1.00 0.00 WAT +ATOM 41181 H1 TIP3 11624 -37.712 -39.672 16.470 1.00 0.00 WAT +ATOM 41182 H2 TIP3 11624 -36.877 -40.874 16.183 1.00 0.00 WAT +ATOM 41183 OH2 TIP3 11625 -27.314 -39.626 28.390 1.00 0.00 WAT +ATOM 41184 H1 TIP3 11625 -28.280 -39.524 28.289 1.00 0.00 WAT +ATOM 41185 H2 TIP3 11625 -27.104 -39.886 27.482 1.00 0.00 WAT +ATOM 41186 OH2 TIP3 11626 -28.902 -35.733 22.495 1.00 0.00 WAT +ATOM 41187 H1 TIP3 11626 -29.713 -36.195 22.212 1.00 0.00 WAT +ATOM 41188 H2 TIP3 11626 -28.405 -36.451 22.948 1.00 0.00 WAT +ATOM 41189 OH2 TIP3 11627 -39.313 -29.571 14.954 1.00 0.00 WAT +ATOM 41190 H1 TIP3 11627 -38.543 -29.154 15.373 1.00 0.00 WAT +ATOM 41191 H2 TIP3 11627 -38.858 -30.139 14.315 1.00 0.00 WAT +ATOM 41192 OH2 TIP3 11628 -41.178 -37.487 14.149 1.00 0.00 WAT +ATOM 41193 H1 TIP3 11628 -41.057 -36.535 14.297 1.00 0.00 WAT +ATOM 41194 H2 TIP3 11628 -41.914 -37.535 13.527 1.00 0.00 WAT +ATOM 41195 OH2 TIP3 11629 -27.885 -26.876 23.889 1.00 0.00 WAT +ATOM 41196 H1 TIP3 11629 -28.049 -26.068 23.365 1.00 0.00 WAT +ATOM 41197 H2 TIP3 11629 -26.951 -26.747 24.117 1.00 0.00 WAT +ATOM 41198 OH2 TIP3 11630 -40.745 -42.373 23.070 1.00 0.00 WAT +ATOM 41199 H1 TIP3 11630 -40.600 -42.571 22.135 1.00 0.00 WAT +ATOM 41200 H2 TIP3 11630 -41.122 -43.215 23.378 1.00 0.00 WAT +ATOM 41201 OH2 TIP3 11631 -41.343 -28.760 19.144 1.00 0.00 WAT +ATOM 41202 H1 TIP3 11631 -42.271 -28.480 19.178 1.00 0.00 WAT +ATOM 41203 H2 TIP3 11631 -41.058 -28.413 18.289 1.00 0.00 WAT +ATOM 41204 OH2 TIP3 11632 -42.139 -26.040 30.322 1.00 0.00 WAT +ATOM 41205 H1 TIP3 11632 -41.519 -26.052 31.071 1.00 0.00 WAT +ATOM 41206 H2 TIP3 11632 -42.177 -27.001 30.174 1.00 0.00 WAT +ATOM 41207 OH2 TIP3 11633 -36.894 -26.886 32.254 1.00 0.00 WAT +ATOM 41208 H1 TIP3 11633 -36.474 -27.767 32.237 1.00 0.00 WAT +ATOM 41209 H2 TIP3 11633 -37.402 -26.945 31.427 1.00 0.00 WAT +ATOM 41210 OH2 TIP3 11634 -33.226 -27.668 13.599 1.00 0.00 WAT +ATOM 41211 H1 TIP3 11634 -33.974 -28.291 13.476 1.00 0.00 WAT +ATOM 41212 H2 TIP3 11634 -32.504 -28.189 13.210 1.00 0.00 WAT +ATOM 41213 OH2 TIP3 11635 -30.901 -28.533 30.751 1.00 0.00 WAT +ATOM 41214 H1 TIP3 11635 -31.264 -29.382 31.061 1.00 0.00 WAT +ATOM 41215 H2 TIP3 11635 -30.125 -28.419 31.329 1.00 0.00 WAT +ATOM 41216 OH2 TIP3 11636 -28.605 -27.746 13.697 1.00 0.00 WAT +ATOM 41217 H1 TIP3 11636 -28.432 -28.563 14.192 1.00 0.00 WAT +ATOM 41218 H2 TIP3 11636 -27.826 -27.693 13.114 1.00 0.00 WAT +ATOM 41219 OH2 TIP3 11637 -41.983 -32.007 30.935 1.00 0.00 WAT +ATOM 41220 H1 TIP3 11637 -41.906 -32.905 30.581 1.00 0.00 WAT +ATOM 41221 H2 TIP3 11637 -42.865 -31.740 30.635 1.00 0.00 WAT +ATOM 41222 OH2 TIP3 11638 -37.810 -31.940 13.424 1.00 0.00 WAT +ATOM 41223 H1 TIP3 11638 -37.615 -32.523 14.177 1.00 0.00 WAT +ATOM 41224 H2 TIP3 11638 -36.955 -31.960 12.953 1.00 0.00 WAT +ATOM 41225 OH2 TIP3 11639 -35.416 -32.151 30.757 1.00 0.00 WAT +ATOM 41226 H1 TIP3 11639 -35.685 -31.826 29.881 1.00 0.00 WAT +ATOM 41227 H2 TIP3 11639 -35.304 -33.112 30.601 1.00 0.00 WAT +ATOM 41228 OH2 TIP3 11640 -32.586 -30.610 13.036 1.00 0.00 WAT +ATOM 41229 H1 TIP3 11640 -32.600 -30.653 14.008 1.00 0.00 WAT +ATOM 41230 H2 TIP3 11640 -32.609 -31.567 12.823 1.00 0.00 WAT +ATOM 41231 OH2 TIP3 11641 -30.015 -32.536 28.137 1.00 0.00 WAT +ATOM 41232 H1 TIP3 11641 -29.225 -32.011 27.933 1.00 0.00 WAT +ATOM 41233 H2 TIP3 11641 -30.706 -31.857 28.104 1.00 0.00 WAT +ATOM 41234 OH2 TIP3 11642 -41.347 -35.297 30.731 1.00 0.00 WAT +ATOM 41235 H1 TIP3 11642 -40.543 -35.837 30.616 1.00 0.00 WAT +ATOM 41236 H2 TIP3 11642 -41.241 -34.996 31.647 1.00 0.00 WAT +ATOM 41237 OH2 TIP3 11643 -36.741 -33.838 15.754 1.00 0.00 WAT +ATOM 41238 H1 TIP3 11643 -37.338 -34.356 16.316 1.00 0.00 WAT +ATOM 41239 H2 TIP3 11643 -36.425 -34.521 15.127 1.00 0.00 WAT +ATOM 41240 OH2 TIP3 11644 -37.502 -36.076 28.022 1.00 0.00 WAT +ATOM 41241 H1 TIP3 11644 -38.051 -35.286 28.179 1.00 0.00 WAT +ATOM 41242 H2 TIP3 11644 -36.846 -35.738 27.385 1.00 0.00 WAT +ATOM 41243 OH2 TIP3 11645 -35.765 -35.827 14.011 1.00 0.00 WAT +ATOM 41244 H1 TIP3 11645 -35.786 -35.742 13.040 1.00 0.00 WAT +ATOM 41245 H2 TIP3 11645 -34.805 -35.879 14.177 1.00 0.00 WAT +ATOM 41246 OH2 TIP3 11646 -32.183 -33.360 31.591 1.00 0.00 WAT +ATOM 41247 H1 TIP3 11646 -31.294 -33.552 31.254 1.00 0.00 WAT +ATOM 41248 H2 TIP3 11646 -32.441 -34.224 31.943 1.00 0.00 WAT +ATOM 41249 OH2 TIP3 11647 -26.249 -33.335 13.312 1.00 0.00 WAT +ATOM 41250 H1 TIP3 11647 -26.383 -33.723 12.433 1.00 0.00 WAT +ATOM 41251 H2 TIP3 11647 -26.342 -32.382 13.095 1.00 0.00 WAT +ATOM 41252 OH2 TIP3 11648 -36.926 -38.805 29.121 1.00 0.00 WAT +ATOM 41253 H1 TIP3 11648 -36.827 -39.447 28.398 1.00 0.00 WAT +ATOM 41254 H2 TIP3 11648 -37.107 -37.984 28.630 1.00 0.00 WAT +ATOM 41255 OH2 TIP3 11649 -36.514 -40.370 26.544 1.00 0.00 WAT +ATOM 41256 H1 TIP3 11649 -35.998 -39.814 25.924 1.00 0.00 WAT +ATOM 41257 H2 TIP3 11649 -37.431 -40.267 26.209 1.00 0.00 WAT +ATOM 41258 OH2 TIP3 11650 -35.010 -34.871 27.008 1.00 0.00 WAT +ATOM 41259 H1 TIP3 11650 -34.178 -34.959 26.518 1.00 0.00 WAT +ATOM 41260 H2 TIP3 11650 -35.325 -34.002 26.691 1.00 0.00 WAT +ATOM 41261 OH2 TIP3 11651 -30.445 -36.926 31.784 1.00 0.00 WAT +ATOM 41262 H1 TIP3 11651 -30.244 -37.862 31.945 1.00 0.00 WAT +ATOM 41263 H2 TIP3 11651 -29.554 -36.546 31.730 1.00 0.00 WAT +ATOM 41264 OH2 TIP3 11652 -29.481 -34.146 30.273 1.00 0.00 WAT +ATOM 41265 H1 TIP3 11652 -29.812 -33.533 29.583 1.00 0.00 WAT +ATOM 41266 H2 TIP3 11652 -28.581 -34.308 29.924 1.00 0.00 WAT +ATOM 41267 OH2 TIP3 11653 -38.793 -36.911 30.912 1.00 0.00 WAT +ATOM 41268 H1 TIP3 11653 -39.284 -37.752 30.931 1.00 0.00 WAT +ATOM 41269 H2 TIP3 11653 -37.966 -37.181 30.484 1.00 0.00 WAT +ATOM 41270 OH2 TIP3 11654 -36.064 -42.773 27.758 1.00 0.00 WAT +ATOM 41271 H1 TIP3 11654 -35.921 -41.872 27.400 1.00 0.00 WAT +ATOM 41272 H2 TIP3 11654 -36.998 -42.877 27.541 1.00 0.00 WAT +ATOM 41273 OH2 TIP3 11655 -34.574 -38.425 30.717 1.00 0.00 WAT +ATOM 41274 H1 TIP3 11655 -34.876 -38.721 31.593 1.00 0.00 WAT +ATOM 41275 H2 TIP3 11655 -35.376 -38.631 30.193 1.00 0.00 WAT +ATOM 41276 OH2 TIP3 11656 -31.967 -39.433 29.711 1.00 0.00 WAT +ATOM 41277 H1 TIP3 11656 -32.866 -39.317 30.071 1.00 0.00 WAT +ATOM 41278 H2 TIP3 11656 -31.598 -40.101 30.317 1.00 0.00 WAT +ATOM 41279 OH2 TIP3 11657 -30.262 -41.365 31.378 1.00 0.00 WAT +ATOM 41280 H1 TIP3 11657 -30.393 -42.240 31.764 1.00 0.00 WAT +ATOM 41281 H2 TIP3 11657 -30.389 -40.773 32.137 1.00 0.00 WAT +ATOM 41282 OH2 TIP3 11658 -40.034 -39.525 30.795 1.00 0.00 WAT +ATOM 41283 H1 TIP3 11658 -40.238 -40.197 30.123 1.00 0.00 WAT +ATOM 41284 H2 TIP3 11658 -40.391 -39.931 31.603 1.00 0.00 WAT +ATOM 41285 OH2 TIP3 11659 -34.945 -41.449 31.807 1.00 0.00 WAT +ATOM 41286 H1 TIP3 11659 -35.146 -42.287 31.349 1.00 0.00 WAT +ATOM 41287 H2 TIP3 11659 -35.812 -41.018 31.863 1.00 0.00 WAT +ATOM 41288 OH2 TIP3 11660 -36.000 -24.577 15.115 1.00 0.00 WAT +ATOM 41289 H1 TIP3 11660 -35.041 -24.499 15.227 1.00 0.00 WAT +ATOM 41290 H2 TIP3 11660 -36.111 -24.161 14.251 1.00 0.00 WAT +ATOM 41291 OH2 TIP3 11661 -41.990 -29.699 14.192 1.00 0.00 WAT +ATOM 41292 H1 TIP3 11661 -41.213 -29.759 14.782 1.00 0.00 WAT +ATOM 41293 H2 TIP3 11661 -42.171 -30.627 13.984 1.00 0.00 WAT +ATOM 41294 OH2 TIP3 11662 -42.751 -26.900 21.332 1.00 0.00 WAT +ATOM 41295 H1 TIP3 11662 -42.762 -27.802 21.699 1.00 0.00 WAT +ATOM 41296 H2 TIP3 11662 -42.425 -26.413 22.102 1.00 0.00 WAT +ATOM 41297 OH2 TIP3 11663 -25.164 -25.700 24.380 1.00 0.00 WAT +ATOM 41298 H1 TIP3 11663 -24.979 -25.755 25.329 1.00 0.00 WAT +ATOM 41299 H2 TIP3 11663 -24.303 -25.431 24.030 1.00 0.00 WAT +ATOM 41300 OH2 TIP3 11664 -25.268 -26.273 27.259 1.00 0.00 WAT +ATOM 41301 H1 TIP3 11664 -25.767 -27.027 26.894 1.00 0.00 WAT +ATOM 41302 H2 TIP3 11664 -24.702 -26.738 27.895 1.00 0.00 WAT +ATOM 41303 OH2 TIP3 11665 -27.272 -30.823 31.534 1.00 0.00 WAT +ATOM 41304 H1 TIP3 11665 -28.140 -30.753 31.967 1.00 0.00 WAT +ATOM 41305 H2 TIP3 11665 -26.811 -30.029 31.857 1.00 0.00 WAT +ATOM 41306 OH2 TIP3 11666 -25.866 -31.944 17.281 1.00 0.00 WAT +ATOM 41307 H1 TIP3 11666 -24.959 -31.619 17.435 1.00 0.00 WAT +ATOM 41308 H2 TIP3 11666 -25.941 -32.588 18.010 1.00 0.00 WAT +ATOM 41309 OH2 TIP3 11667 -25.409 -33.971 19.252 1.00 0.00 WAT +ATOM 41310 H1 TIP3 11667 -26.071 -34.549 19.679 1.00 0.00 WAT +ATOM 41311 H2 TIP3 11667 -24.720 -33.871 19.937 1.00 0.00 WAT +ATOM 41312 OH2 TIP3 11668 -25.678 -31.487 24.233 1.00 0.00 WAT +ATOM 41313 H1 TIP3 11668 -25.062 -31.983 23.672 1.00 0.00 WAT +ATOM 41314 H2 TIP3 11668 -25.535 -30.575 23.928 1.00 0.00 WAT +ATOM 41315 OH2 TIP3 11669 -26.956 -28.564 26.469 1.00 0.00 WAT +ATOM 41316 H1 TIP3 11669 -27.694 -28.184 26.975 1.00 0.00 WAT +ATOM 41317 H2 TIP3 11669 -27.413 -28.933 25.687 1.00 0.00 WAT +ATOM 41318 OH2 TIP3 11670 -25.152 -34.545 15.835 1.00 0.00 WAT +ATOM 41319 H1 TIP3 11670 -25.660 -34.268 15.048 1.00 0.00 WAT +ATOM 41320 H2 TIP3 11670 -25.283 -33.781 16.418 1.00 0.00 WAT +ATOM 41321 OH2 TIP3 11671 -26.875 -36.976 14.095 1.00 0.00 WAT +ATOM 41322 H1 TIP3 11671 -26.604 -36.399 13.368 1.00 0.00 WAT +ATOM 41323 H2 TIP3 11671 -27.140 -37.794 13.629 1.00 0.00 WAT +ATOM 41324 OH2 TIP3 11672 -27.460 -35.838 20.073 1.00 0.00 WAT +ATOM 41325 H1 TIP3 11672 -27.531 -36.788 19.881 1.00 0.00 WAT +ATOM 41326 H2 TIP3 11672 -27.849 -35.769 20.967 1.00 0.00 WAT +ATOM 41327 OH2 TIP3 11673 -42.559 -33.338 24.035 1.00 0.00 WAT +ATOM 41328 H1 TIP3 11673 -42.248 -33.150 23.135 1.00 0.00 WAT +ATOM 41329 H2 TIP3 11673 -41.761 -33.765 24.419 1.00 0.00 WAT +ATOM 41330 OH2 TIP3 11674 -26.863 -33.924 29.220 1.00 0.00 WAT +ATOM 41331 H1 TIP3 11674 -26.129 -34.547 29.375 1.00 0.00 WAT +ATOM 41332 H2 TIP3 11674 -26.398 -33.099 29.025 1.00 0.00 WAT +ATOM 41333 OH2 TIP3 11675 -25.314 -35.836 30.439 1.00 0.00 WAT +ATOM 41334 H1 TIP3 11675 -26.097 -36.373 30.195 1.00 0.00 WAT +ATOM 41335 H2 TIP3 11675 -24.607 -36.508 30.411 1.00 0.00 WAT +ATOM 41336 OH2 TIP3 11676 -27.497 -39.634 13.336 1.00 0.00 WAT +ATOM 41337 H1 TIP3 11676 -26.847 -40.150 13.844 1.00 0.00 WAT +ATOM 41338 H2 TIP3 11676 -28.273 -40.207 13.357 1.00 0.00 WAT +ATOM 41339 OH2 TIP3 11677 -27.631 -38.273 18.266 1.00 0.00 WAT +ATOM 41340 H1 TIP3 11677 -27.462 -39.244 18.322 1.00 0.00 WAT +ATOM 41341 H2 TIP3 11677 -26.808 -37.982 17.837 1.00 0.00 WAT +ATOM 41342 OH2 TIP3 11678 -27.377 -37.729 23.651 1.00 0.00 WAT +ATOM 41343 H1 TIP3 11678 -26.399 -37.677 23.628 1.00 0.00 WAT +ATOM 41344 H2 TIP3 11678 -27.515 -37.762 24.612 1.00 0.00 WAT +ATOM 41345 OH2 TIP3 11679 -27.227 -37.061 26.516 1.00 0.00 WAT +ATOM 41346 H1 TIP3 11679 -28.070 -36.636 26.760 1.00 0.00 WAT +ATOM 41347 H2 TIP3 11679 -26.673 -36.291 26.285 1.00 0.00 WAT +ATOM 41348 OH2 TIP3 11680 -42.824 -38.385 30.290 1.00 0.00 WAT +ATOM 41349 H1 TIP3 11680 -41.995 -38.811 30.034 1.00 0.00 WAT +ATOM 41350 H2 TIP3 11680 -43.462 -39.116 30.302 1.00 0.00 WAT +ATOM 41351 OH2 TIP3 11681 -25.056 -42.765 32.283 1.00 0.00 WAT +ATOM 41352 H1 TIP3 11681 -24.578 -43.567 32.051 1.00 0.00 WAT +ATOM 41353 H2 TIP3 11681 -25.041 -42.183 31.490 1.00 0.00 WAT +ATOM 41354 OH2 TIP3 11682 -27.335 -40.984 18.353 1.00 0.00 WAT +ATOM 41355 H1 TIP3 11682 -27.073 -41.517 19.116 1.00 0.00 WAT +ATOM 41356 H2 TIP3 11682 -27.932 -41.601 17.891 1.00 0.00 WAT +ATOM 41357 OH2 TIP3 11683 -41.933 -39.893 23.179 1.00 0.00 WAT +ATOM 41358 H1 TIP3 11683 -41.603 -40.810 23.279 1.00 0.00 WAT +ATOM 41359 H2 TIP3 11683 -41.144 -39.376 23.419 1.00 0.00 WAT +ATOM 41360 OH2 TIP3 11684 -43.322 -37.266 24.126 1.00 0.00 WAT +ATOM 41361 H1 TIP3 11684 -42.935 -37.782 23.403 1.00 0.00 WAT +ATOM 41362 H2 TIP3 11684 -43.139 -36.364 23.834 1.00 0.00 WAT +ATOM 41363 OH2 TIP3 11685 -25.274 -41.115 30.121 1.00 0.00 WAT +ATOM 41364 H1 TIP3 11685 -26.126 -40.644 30.196 1.00 0.00 WAT +ATOM 41365 H2 TIP3 11685 -25.368 -41.468 29.219 1.00 0.00 WAT +ATOM 41366 OH2 TIP3 11686 -25.141 -40.717 14.902 1.00 0.00 WAT +ATOM 41367 H1 TIP3 11686 -24.909 -41.499 14.367 1.00 0.00 WAT +ATOM 41368 H2 TIP3 11686 -24.335 -40.186 14.867 1.00 0.00 WAT +ATOM 41369 OH2 TIP3 11687 -43.138 -41.075 17.677 1.00 0.00 WAT +ATOM 41370 H1 TIP3 11687 -43.973 -40.784 17.289 1.00 0.00 WAT +ATOM 41371 H2 TIP3 11687 -42.536 -40.372 17.351 1.00 0.00 WAT +ATOM 41372 OH2 TIP3 11688 -28.275 -25.664 20.187 1.00 0.00 WAT +ATOM 41373 H1 TIP3 11688 -27.827 -25.913 19.359 1.00 0.00 WAT +ATOM 41374 H2 TIP3 11688 -27.543 -25.304 20.702 1.00 0.00 WAT +ATOM 41375 OH2 TIP3 11689 -42.830 -41.665 26.025 1.00 0.00 WAT +ATOM 41376 H1 TIP3 11689 -43.484 -42.141 26.587 1.00 0.00 WAT +ATOM 41377 H2 TIP3 11689 -43.259 -41.657 25.159 1.00 0.00 WAT +ATOM 41378 OH2 TIP3 11690 -41.166 -28.618 30.687 1.00 0.00 WAT +ATOM 41379 H1 TIP3 11690 -41.664 -29.242 30.148 1.00 0.00 WAT +ATOM 41380 H2 TIP3 11690 -41.343 -28.973 31.590 1.00 0.00 WAT +ATOM 41381 OH2 TIP3 11691 -38.017 -27.948 26.624 1.00 0.00 WAT +ATOM 41382 H1 TIP3 11691 -38.337 -27.127 26.208 1.00 0.00 WAT +ATOM 41383 H2 TIP3 11691 -37.064 -27.873 26.417 1.00 0.00 WAT +ATOM 41384 OH2 TIP3 11692 -33.543 -26.641 29.727 1.00 0.00 WAT +ATOM 41385 H1 TIP3 11692 -33.260 -26.929 30.606 1.00 0.00 WAT +ATOM 41386 H2 TIP3 11692 -32.716 -26.238 29.386 1.00 0.00 WAT +ATOM 41387 OH2 TIP3 11693 -31.281 -25.261 28.841 1.00 0.00 WAT +ATOM 41388 H1 TIP3 11693 -30.576 -25.866 28.562 1.00 0.00 WAT +ATOM 41389 H2 TIP3 11693 -30.922 -24.933 29.689 1.00 0.00 WAT +ATOM 41390 OH2 TIP3 11694 -26.649 -42.762 28.030 1.00 0.00 WAT +ATOM 41391 H1 TIP3 11694 -27.151 -42.145 27.470 1.00 0.00 WAT +ATOM 41392 H2 TIP3 11694 -26.440 -43.443 27.369 1.00 0.00 WAT +ATOM 41393 OH2 TIP3 11695 -40.688 -24.909 26.831 1.00 0.00 WAT +ATOM 41394 H1 TIP3 11695 -41.377 -24.428 26.335 1.00 0.00 WAT +ATOM 41395 H2 TIP3 11695 -41.028 -24.846 27.730 1.00 0.00 WAT +ATOM 41396 OH2 TIP3 11696 -38.176 -25.245 25.478 1.00 0.00 WAT +ATOM 41397 H1 TIP3 11696 -39.049 -25.063 25.881 1.00 0.00 WAT +ATOM 41398 H2 TIP3 11696 -38.147 -24.588 24.760 1.00 0.00 WAT +ATOM 41399 OH2 TIP3 11697 -33.423 -25.258 25.021 1.00 0.00 WAT +ATOM 41400 H1 TIP3 11697 -33.786 -24.829 24.225 1.00 0.00 WAT +ATOM 41401 H2 TIP3 11697 -33.320 -24.496 25.619 1.00 0.00 WAT +ATOM 41402 OH2 TIP3 11698 -31.084 -26.537 25.954 1.00 0.00 WAT +ATOM 41403 H1 TIP3 11698 -31.919 -26.183 25.593 1.00 0.00 WAT +ATOM 41404 H2 TIP3 11698 -30.502 -25.766 25.888 1.00 0.00 WAT +ATOM 41405 OH2 TIP3 11699 -28.561 -24.808 26.120 1.00 0.00 WAT +ATOM 41406 H1 TIP3 11699 -28.591 -23.858 25.893 1.00 0.00 WAT +ATOM 41407 H2 TIP3 11699 -28.263 -25.182 25.273 1.00 0.00 WAT +ATOM 41408 OH2 TIP3 11700 -41.236 -26.152 23.809 1.00 0.00 WAT +ATOM 41409 H1 TIP3 11700 -41.339 -26.624 24.661 1.00 0.00 WAT +ATOM 41410 H2 TIP3 11700 -40.496 -26.648 23.413 1.00 0.00 WAT +ATOM 41411 OH2 TIP3 11701 -39.105 -27.427 22.325 1.00 0.00 WAT +ATOM 41412 H1 TIP3 11701 -39.263 -28.359 22.579 1.00 0.00 WAT +ATOM 41413 H2 TIP3 11701 -38.191 -27.288 22.636 1.00 0.00 WAT +ATOM 41414 OH2 TIP3 11702 -36.297 -27.006 23.172 1.00 0.00 WAT +ATOM 41415 H1 TIP3 11702 -36.119 -27.932 22.933 1.00 0.00 WAT +ATOM 41416 H2 TIP3 11702 -36.237 -27.057 24.139 1.00 0.00 WAT +ATOM 41417 OH2 TIP3 11703 -33.004 -41.121 22.464 1.00 0.00 WAT +ATOM 41418 H1 TIP3 11703 -33.627 -41.824 22.739 1.00 0.00 WAT +ATOM 41419 H2 TIP3 11703 -32.402 -41.607 21.880 1.00 0.00 WAT +ATOM 41420 OH2 TIP3 11704 -27.719 -43.299 22.923 1.00 0.00 WAT +ATOM 41421 H1 TIP3 11704 -27.115 -42.902 22.271 1.00 0.00 WAT +ATOM 41422 H2 TIP3 11704 -28.586 -43.045 22.584 1.00 0.00 WAT +ATOM 41423 OH2 TIP3 11705 -25.769 -42.245 20.749 1.00 0.00 WAT +ATOM 41424 H1 TIP3 11705 -25.213 -42.481 19.997 1.00 0.00 WAT +ATOM 41425 H2 TIP3 11705 -25.577 -41.296 20.855 1.00 0.00 WAT +ATOM 41426 OH2 TIP3 11706 -40.739 -42.813 19.803 1.00 0.00 WAT +ATOM 41427 H1 TIP3 11706 -41.602 -43.160 19.543 1.00 0.00 WAT +ATOM 41428 H2 TIP3 11706 -40.269 -43.596 20.105 1.00 0.00 WAT +ATOM 41429 OH2 TIP3 11707 -42.060 -43.007 15.854 1.00 0.00 WAT +ATOM 41430 H1 TIP3 11707 -41.686 -42.344 15.246 1.00 0.00 WAT +ATOM 41431 H2 TIP3 11707 -42.587 -42.443 16.453 1.00 0.00 WAT +ATOM 41432 OH2 TIP3 11708 -36.141 -42.189 20.113 1.00 0.00 WAT +ATOM 41433 H1 TIP3 11708 -35.224 -42.338 19.839 1.00 0.00 WAT +ATOM 41434 H2 TIP3 11708 -36.342 -42.970 20.638 1.00 0.00 WAT +ATOM 41435 OH2 TIP3 11709 -30.598 -42.647 21.407 1.00 0.00 WAT +ATOM 41436 H1 TIP3 11709 -30.250 -42.610 20.506 1.00 0.00 WAT +ATOM 41437 H2 TIP3 11709 -30.723 -43.593 21.564 1.00 0.00 WAT +ATOM 41438 OH2 TIP3 11710 -29.532 -42.720 17.467 1.00 0.00 WAT +ATOM 41439 H1 TIP3 11710 -30.258 -42.142 17.164 1.00 0.00 WAT +ATOM 41440 H2 TIP3 11710 -29.879 -43.608 17.318 1.00 0.00 WAT +ATOM 41441 OH2 TIP3 11711 -41.894 -26.914 16.885 1.00 0.00 WAT +ATOM 41442 H1 TIP3 11711 -42.484 -27.118 16.152 1.00 0.00 WAT +ATOM 41443 H2 TIP3 11711 -41.821 -25.953 16.831 1.00 0.00 WAT +ATOM 41444 OH2 TIP3 11712 -40.095 -41.150 14.465 1.00 0.00 WAT +ATOM 41445 H1 TIP3 11712 -39.444 -41.564 13.875 1.00 0.00 WAT +ATOM 41446 H2 TIP3 11712 -39.501 -40.705 15.100 1.00 0.00 WAT +ATOM 41447 OH2 TIP3 11713 -34.928 -40.602 16.761 1.00 0.00 WAT +ATOM 41448 H1 TIP3 11713 -34.826 -41.427 17.275 1.00 0.00 WAT +ATOM 41449 H2 TIP3 11713 -34.704 -39.908 17.410 1.00 0.00 WAT +ATOM 41450 OH2 TIP3 11714 -32.955 -25.139 15.205 1.00 0.00 WAT +ATOM 41451 H1 TIP3 11714 -31.981 -25.115 15.153 1.00 0.00 WAT +ATOM 41452 H2 TIP3 11714 -33.144 -25.795 14.513 1.00 0.00 WAT +ATOM 41453 OH2 TIP3 11715 -26.470 -26.098 17.785 1.00 0.00 WAT +ATOM 41454 H1 TIP3 11715 -26.678 -26.947 17.345 1.00 0.00 WAT +ATOM 41455 H2 TIP3 11715 -26.454 -25.495 17.024 1.00 0.00 WAT +ATOM 41456 OH2 TIP3 11716 -41.162 -41.791 29.322 1.00 0.00 WAT +ATOM 41457 H1 TIP3 11716 -41.687 -42.502 29.735 1.00 0.00 WAT +ATOM 41458 H2 TIP3 11716 -40.335 -42.286 29.192 1.00 0.00 WAT +ATOM 41459 OH2 TIP3 11717 -38.084 -42.782 31.844 1.00 0.00 WAT +ATOM 41460 H1 TIP3 11717 -37.231 -43.049 31.431 1.00 0.00 WAT +ATOM 41461 H2 TIP3 11717 -38.283 -43.563 32.372 1.00 0.00 WAT +ATOM 41462 OH2 TIP3 11718 -40.118 -25.919 13.855 1.00 0.00 WAT +ATOM 41463 H1 TIP3 11718 -40.387 -25.759 14.770 1.00 0.00 WAT +ATOM 41464 H2 TIP3 11718 -39.413 -26.581 13.963 1.00 0.00 WAT +ATOM 41465 OH2 TIP3 11719 -26.972 -27.351 30.179 1.00 0.00 WAT +ATOM 41466 H1 TIP3 11719 -27.702 -27.539 29.563 1.00 0.00 WAT +ATOM 41467 H2 TIP3 11719 -27.124 -26.407 30.365 1.00 0.00 WAT +ATOM 41468 OH2 TIP3 11720 -12.751 -33.673 20.304 1.00 0.00 WAT +ATOM 41469 H1 TIP3 11720 -12.744 -32.706 20.408 1.00 0.00 WAT +ATOM 41470 H2 TIP3 11720 -13.522 -33.790 19.731 1.00 0.00 WAT +ATOM 41471 OH2 TIP3 11721 -13.883 -34.228 23.370 1.00 0.00 WAT +ATOM 41472 H1 TIP3 11721 -13.911 -34.796 24.155 1.00 0.00 WAT +ATOM 41473 H2 TIP3 11721 -14.170 -34.838 22.676 1.00 0.00 WAT +ATOM 41474 OH2 TIP3 11722 -21.413 -34.640 25.033 1.00 0.00 WAT +ATOM 41475 H1 TIP3 11722 -21.435 -35.390 25.656 1.00 0.00 WAT +ATOM 41476 H2 TIP3 11722 -20.714 -34.096 25.424 1.00 0.00 WAT +ATOM 41477 OH2 TIP3 11723 -10.216 -31.502 21.691 1.00 0.00 WAT +ATOM 41478 H1 TIP3 11723 -10.593 -32.191 22.253 1.00 0.00 WAT +ATOM 41479 H2 TIP3 11723 -9.925 -30.859 22.352 1.00 0.00 WAT +ATOM 41480 OH2 TIP3 11724 -20.767 -29.997 23.536 1.00 0.00 WAT +ATOM 41481 H1 TIP3 11724 -21.000 -30.917 23.286 1.00 0.00 WAT +ATOM 41482 H2 TIP3 11724 -19.835 -30.122 23.770 1.00 0.00 WAT +ATOM 41483 OH2 TIP3 11725 -23.772 -36.605 18.930 1.00 0.00 WAT +ATOM 41484 H1 TIP3 11725 -24.179 -35.727 19.005 1.00 0.00 WAT +ATOM 41485 H2 TIP3 11725 -24.486 -37.111 18.523 1.00 0.00 WAT +ATOM 41486 OH2 TIP3 11726 -22.960 -34.133 20.788 1.00 0.00 WAT +ATOM 41487 H1 TIP3 11726 -22.820 -34.973 21.268 1.00 0.00 WAT +ATOM 41488 H2 TIP3 11726 -22.127 -34.045 20.307 1.00 0.00 WAT +ATOM 41489 OH2 TIP3 11727 -13.208 -26.178 22.214 1.00 0.00 WAT +ATOM 41490 H1 TIP3 11727 -12.556 -26.849 21.937 1.00 0.00 WAT +ATOM 41491 H2 TIP3 11727 -13.423 -26.463 23.111 1.00 0.00 WAT +ATOM 41492 OH2 TIP3 11728 -15.408 -31.713 23.931 1.00 0.00 WAT +ATOM 41493 H1 TIP3 11728 -15.078 -32.430 23.361 1.00 0.00 WAT +ATOM 41494 H2 TIP3 11728 -14.598 -31.555 24.454 1.00 0.00 WAT +ATOM 41495 OH2 TIP3 11729 -6.796 -40.057 24.640 1.00 0.00 WAT +ATOM 41496 H1 TIP3 11729 -6.704 -39.225 25.119 1.00 0.00 WAT +ATOM 41497 H2 TIP3 11729 -6.162 -39.900 23.913 1.00 0.00 WAT +ATOM 41498 OH2 TIP3 11730 -12.111 -37.410 24.460 1.00 0.00 WAT +ATOM 41499 H1 TIP3 11730 -11.946 -38.368 24.454 1.00 0.00 WAT +ATOM 41500 H2 TIP3 11730 -12.214 -37.229 23.512 1.00 0.00 WAT +ATOM 41501 OH2 TIP3 11731 -19.158 -39.412 21.548 1.00 0.00 WAT +ATOM 41502 H1 TIP3 11731 -19.000 -38.564 21.090 1.00 0.00 WAT +ATOM 41503 H2 TIP3 11731 -19.485 -39.952 20.803 1.00 0.00 WAT +ATOM 41504 OH2 TIP3 11732 -11.252 -39.208 19.882 1.00 0.00 WAT +ATOM 41505 H1 TIP3 11732 -10.635 -39.647 20.500 1.00 0.00 WAT +ATOM 41506 H2 TIP3 11732 -10.631 -38.768 19.281 1.00 0.00 WAT +ATOM 41507 OH2 TIP3 11733 -22.439 -36.615 22.019 1.00 0.00 WAT +ATOM 41508 H1 TIP3 11733 -21.844 -37.115 22.598 1.00 0.00 WAT +ATOM 41509 H2 TIP3 11733 -22.379 -37.122 21.190 1.00 0.00 WAT +ATOM 41510 OH2 TIP3 11734 -17.062 -35.249 21.476 1.00 0.00 WAT +ATOM 41511 H1 TIP3 11734 -16.360 -35.798 21.874 1.00 0.00 WAT +ATOM 41512 H2 TIP3 11734 -17.571 -35.920 20.985 1.00 0.00 WAT +ATOM 41513 OH2 TIP3 11735 -20.340 -40.561 25.698 1.00 0.00 WAT +ATOM 41514 H1 TIP3 11735 -20.683 -40.012 24.973 1.00 0.00 WAT +ATOM 41515 H2 TIP3 11735 -21.011 -40.366 26.385 1.00 0.00 WAT +ATOM 41516 OH2 TIP3 11736 -12.879 -30.858 19.098 1.00 0.00 WAT +ATOM 41517 H1 TIP3 11736 -13.113 -31.033 18.183 1.00 0.00 WAT +ATOM 41518 H2 TIP3 11736 -13.285 -29.990 19.261 1.00 0.00 WAT +ATOM 41519 OH2 TIP3 11737 -17.405 -32.699 25.802 1.00 0.00 WAT +ATOM 41520 H1 TIP3 11737 -18.141 -32.103 26.059 1.00 0.00 WAT +ATOM 41521 H2 TIP3 11737 -16.782 -32.084 25.375 1.00 0.00 WAT +ATOM 41522 OH2 TIP3 11738 -9.345 -40.138 21.925 1.00 0.00 WAT +ATOM 41523 H1 TIP3 11738 -9.870 -40.604 22.587 1.00 0.00 WAT +ATOM 41524 H2 TIP3 11738 -8.895 -39.466 22.464 1.00 0.00 WAT +ATOM 41525 OH2 TIP3 11739 -20.737 -38.557 23.638 1.00 0.00 WAT +ATOM 41526 H1 TIP3 11739 -20.106 -37.950 24.079 1.00 0.00 WAT +ATOM 41527 H2 TIP3 11739 -20.170 -38.900 22.912 1.00 0.00 WAT +ATOM 41528 OH2 TIP3 11740 -19.420 -30.832 26.520 1.00 0.00 WAT +ATOM 41529 H1 TIP3 11740 -19.448 -29.902 26.228 1.00 0.00 WAT +ATOM 41530 H2 TIP3 11740 -20.284 -30.892 26.971 1.00 0.00 WAT +ATOM 41531 OH2 TIP3 11741 -23.102 -31.119 17.416 1.00 0.00 WAT +ATOM 41532 H1 TIP3 11741 -23.295 -30.627 16.598 1.00 0.00 WAT +ATOM 41533 H2 TIP3 11741 -22.936 -30.411 18.072 1.00 0.00 WAT +ATOM 41534 OH2 TIP3 11742 -9.652 -29.677 24.179 1.00 0.00 WAT +ATOM 41535 H1 TIP3 11742 -10.618 -29.537 24.201 1.00 0.00 WAT +ATOM 41536 H2 TIP3 11742 -9.354 -28.822 23.820 1.00 0.00 WAT +ATOM 41537 OH2 TIP3 11743 -9.247 -41.070 25.905 1.00 0.00 WAT +ATOM 41538 H1 TIP3 11743 -10.065 -40.803 25.452 1.00 0.00 WAT +ATOM 41539 H2 TIP3 11743 -8.595 -40.992 25.186 1.00 0.00 WAT +ATOM 41540 OH2 TIP3 11744 -16.111 43.814 22.965 1.00 0.00 WAT +ATOM 41541 H1 TIP3 11744 -16.177 42.854 23.016 1.00 0.00 WAT +ATOM 41542 H2 TIP3 11744 -16.995 44.131 23.240 1.00 0.00 WAT +ATOM 41543 OH2 TIP3 11745 -11.322 -27.743 20.763 1.00 0.00 WAT +ATOM 41544 H1 TIP3 11745 -10.834 -28.531 20.447 1.00 0.00 WAT +ATOM 41545 H2 TIP3 11745 -10.639 -27.049 20.663 1.00 0.00 WAT +ATOM 41546 OH2 TIP3 11746 -9.931 -29.869 19.391 1.00 0.00 WAT +ATOM 41547 H1 TIP3 11746 -10.373 -30.342 18.672 1.00 0.00 WAT +ATOM 41548 H2 TIP3 11746 -9.967 -30.530 20.109 1.00 0.00 WAT +ATOM 41549 OH2 TIP3 11747 -8.353 -31.081 27.865 1.00 0.00 WAT +ATOM 41550 H1 TIP3 11747 -8.462 -31.692 27.113 1.00 0.00 WAT +ATOM 41551 H2 TIP3 11747 -8.258 -30.221 27.407 1.00 0.00 WAT +ATOM 41552 OH2 TIP3 11748 -14.146 -34.107 17.537 1.00 0.00 WAT +ATOM 41553 H1 TIP3 11748 -14.791 -33.525 17.099 1.00 0.00 WAT +ATOM 41554 H2 TIP3 11748 -13.392 -34.065 16.926 1.00 0.00 WAT +ATOM 41555 OH2 TIP3 11749 -13.817 -35.971 14.618 1.00 0.00 WAT +ATOM 41556 H1 TIP3 11749 -13.129 -35.640 15.225 1.00 0.00 WAT +ATOM 41557 H2 TIP3 11749 -13.275 -36.511 14.022 1.00 0.00 WAT +ATOM 41558 OH2 TIP3 11750 -6.582 -34.869 25.802 1.00 0.00 WAT +ATOM 41559 H1 TIP3 11750 -7.331 -34.241 25.862 1.00 0.00 WAT +ATOM 41560 H2 TIP3 11750 -6.105 -34.502 25.028 1.00 0.00 WAT +ATOM 41561 OH2 TIP3 11751 -10.592 -34.156 18.637 1.00 0.00 WAT +ATOM 41562 H1 TIP3 11751 -11.268 -33.925 19.313 1.00 0.00 WAT +ATOM 41563 H2 TIP3 11751 -9.979 -34.699 19.163 1.00 0.00 WAT +ATOM 41564 OH2 TIP3 11752 -10.651 -35.683 27.444 1.00 0.00 WAT +ATOM 41565 H1 TIP3 11752 -10.637 -34.884 27.995 1.00 0.00 WAT +ATOM 41566 H2 TIP3 11752 -11.291 -35.384 26.773 1.00 0.00 WAT +ATOM 41567 OH2 TIP3 11753 -18.992 -33.373 20.405 1.00 0.00 WAT +ATOM 41568 H1 TIP3 11753 -19.297 -33.811 19.588 1.00 0.00 WAT +ATOM 41569 H2 TIP3 11753 -18.339 -34.010 20.745 1.00 0.00 WAT +ATOM 41570 OH2 TIP3 11754 -17.619 -29.964 23.147 1.00 0.00 WAT +ATOM 41571 H1 TIP3 11754 -17.725 -30.366 22.275 1.00 0.00 WAT +ATOM 41572 H2 TIP3 11754 -16.830 -30.432 23.485 1.00 0.00 WAT +ATOM 41573 OH2 TIP3 11755 -18.388 -34.580 23.903 1.00 0.00 WAT +ATOM 41574 H1 TIP3 11755 -17.821 -34.528 23.110 1.00 0.00 WAT +ATOM 41575 H2 TIP3 11755 -18.008 -33.895 24.484 1.00 0.00 WAT +ATOM 41576 OH2 TIP3 11756 -12.464 -29.048 24.476 1.00 0.00 WAT +ATOM 41577 H1 TIP3 11756 -12.437 -28.372 25.175 1.00 0.00 WAT +ATOM 41578 H2 TIP3 11756 -12.680 -29.865 24.959 1.00 0.00 WAT +ATOM 41579 OH2 TIP3 11757 -17.561 -30.253 28.730 1.00 0.00 WAT +ATOM 41580 H1 TIP3 11757 -18.062 -29.586 29.233 1.00 0.00 WAT +ATOM 41581 H2 TIP3 11757 -18.209 -30.505 28.046 1.00 0.00 WAT +ATOM 41582 OH2 TIP3 11758 -11.644 -34.705 16.099 1.00 0.00 WAT +ATOM 41583 H1 TIP3 11758 -11.162 -34.422 16.906 1.00 0.00 WAT +ATOM 41584 H2 TIP3 11758 -11.144 -34.204 15.407 1.00 0.00 WAT +ATOM 41585 OH2 TIP3 11759 -20.628 -33.840 27.849 1.00 0.00 WAT +ATOM 41586 H1 TIP3 11759 -20.577 -33.266 28.635 1.00 0.00 WAT +ATOM 41587 H2 TIP3 11759 -21.587 -33.981 27.776 1.00 0.00 WAT +ATOM 41588 OH2 TIP3 11760 -14.107 -28.040 19.601 1.00 0.00 WAT +ATOM 41589 H1 TIP3 11760 -13.683 -27.849 20.450 1.00 0.00 WAT +ATOM 41590 H2 TIP3 11760 -14.741 -27.323 19.505 1.00 0.00 WAT +ATOM 41591 OH2 TIP3 11761 -19.465 -28.057 29.554 1.00 0.00 WAT +ATOM 41592 H1 TIP3 11761 -19.579 -28.031 28.589 1.00 0.00 WAT +ATOM 41593 H2 TIP3 11761 -20.343 -28.338 29.877 1.00 0.00 WAT +ATOM 41594 OH2 TIP3 11762 -8.416 -43.237 15.329 1.00 0.00 WAT +ATOM 41595 H1 TIP3 11762 -8.864 -43.224 16.186 1.00 0.00 WAT +ATOM 41596 H2 TIP3 11762 -7.656 -42.669 15.520 1.00 0.00 WAT +ATOM 41597 OH2 TIP3 11763 -20.055 -34.647 17.916 1.00 0.00 WAT +ATOM 41598 H1 TIP3 11763 -20.277 -33.872 17.370 1.00 0.00 WAT +ATOM 41599 H2 TIP3 11763 -20.752 -35.269 17.672 1.00 0.00 WAT +ATOM 41600 OH2 TIP3 11764 -6.824 -28.825 14.170 1.00 0.00 WAT +ATOM 41601 H1 TIP3 11764 -6.660 -27.875 14.336 1.00 0.00 WAT +ATOM 41602 H2 TIP3 11764 -5.946 -29.212 14.346 1.00 0.00 WAT +ATOM 41603 OH2 TIP3 11765 -24.015 -31.962 26.675 1.00 0.00 WAT +ATOM 41604 H1 TIP3 11765 -24.445 -31.973 25.797 1.00 0.00 WAT +ATOM 41605 H2 TIP3 11765 -23.877 -32.913 26.844 1.00 0.00 WAT +ATOM 41606 OH2 TIP3 11766 -23.952 -29.028 23.601 1.00 0.00 WAT +ATOM 41607 H1 TIP3 11766 -23.031 -29.329 23.641 1.00 0.00 WAT +ATOM 41608 H2 TIP3 11766 -23.988 -28.432 24.363 1.00 0.00 WAT +ATOM 41609 OH2 TIP3 11767 -5.564 -28.424 29.410 1.00 0.00 WAT +ATOM 41610 H1 TIP3 11767 -5.685 -29.360 29.182 1.00 0.00 WAT +ATOM 41611 H2 TIP3 11767 -6.482 -28.172 29.656 1.00 0.00 WAT +ATOM 41612 OH2 TIP3 11768 -14.921 -29.193 28.166 1.00 0.00 WAT +ATOM 41613 H1 TIP3 11768 -14.840 -28.372 28.694 1.00 0.00 WAT +ATOM 41614 H2 TIP3 11768 -15.820 -29.493 28.406 1.00 0.00 WAT +ATOM 41615 OH2 TIP3 11769 -14.840 -25.131 17.634 1.00 0.00 WAT +ATOM 41616 H1 TIP3 11769 -14.004 -25.278 17.183 1.00 0.00 WAT +ATOM 41617 H2 TIP3 11769 -14.608 -24.448 18.293 1.00 0.00 WAT +ATOM 41618 OH2 TIP3 11770 -20.804 -26.257 19.748 1.00 0.00 WAT +ATOM 41619 H1 TIP3 11770 -20.653 -26.690 20.613 1.00 0.00 WAT +ATOM 41620 H2 TIP3 11770 -21.647 -26.647 19.482 1.00 0.00 WAT +ATOM 41621 OH2 TIP3 11771 -11.772 -26.101 15.356 1.00 0.00 WAT +ATOM 41622 H1 TIP3 11771 -11.193 -26.656 14.803 1.00 0.00 WAT +ATOM 41623 H2 TIP3 11771 -11.533 -26.405 16.249 1.00 0.00 WAT +ATOM 41624 OH2 TIP3 11772 -11.934 -26.528 18.189 1.00 0.00 WAT +ATOM 41625 H1 TIP3 11772 -12.868 -26.568 18.413 1.00 0.00 WAT +ATOM 41626 H2 TIP3 11772 -11.611 -27.227 18.788 1.00 0.00 WAT +ATOM 41627 OH2 TIP3 11773 -8.733 -37.076 29.740 1.00 0.00 WAT +ATOM 41628 H1 TIP3 11773 -9.349 -36.618 29.145 1.00 0.00 WAT +ATOM 41629 H2 TIP3 11773 -8.870 -37.998 29.492 1.00 0.00 WAT +ATOM 41630 OH2 TIP3 11774 -21.824 -30.403 27.917 1.00 0.00 WAT +ATOM 41631 H1 TIP3 11774 -21.545 -30.869 28.732 1.00 0.00 WAT +ATOM 41632 H2 TIP3 11774 -22.550 -30.960 27.583 1.00 0.00 WAT +ATOM 41633 OH2 TIP3 11775 -18.595 -42.198 23.839 1.00 0.00 WAT +ATOM 41634 H1 TIP3 11775 -19.405 -42.462 23.377 1.00 0.00 WAT +ATOM 41635 H2 TIP3 11775 -18.879 -41.368 24.250 1.00 0.00 WAT +ATOM 41636 OH2 TIP3 11776 -14.034 -42.635 27.411 1.00 0.00 WAT +ATOM 41637 H1 TIP3 11776 -13.888 -43.077 28.252 1.00 0.00 WAT +ATOM 41638 H2 TIP3 11776 -14.983 -42.771 27.285 1.00 0.00 WAT +ATOM 41639 OH2 TIP3 11777 -10.920 -38.590 27.915 1.00 0.00 WAT +ATOM 41640 H1 TIP3 11777 -11.616 -38.758 28.574 1.00 0.00 WAT +ATOM 41641 H2 TIP3 11777 -11.098 -37.670 27.644 1.00 0.00 WAT +ATOM 41642 OH2 TIP3 11778 -10.089 -33.646 14.096 1.00 0.00 WAT +ATOM 41643 H1 TIP3 11778 -10.284 -33.791 13.152 1.00 0.00 WAT +ATOM 41644 H2 TIP3 11778 -9.160 -33.356 14.044 1.00 0.00 WAT +ATOM 41645 OH2 TIP3 11779 -14.480 -39.868 14.486 1.00 0.00 WAT +ATOM 41646 H1 TIP3 11779 -14.969 -39.996 15.324 1.00 0.00 WAT +ATOM 41647 H2 TIP3 11779 -14.958 -40.517 13.926 1.00 0.00 WAT +ATOM 41648 OH2 TIP3 11780 -18.760 -37.159 25.088 1.00 0.00 WAT +ATOM 41649 H1 TIP3 11780 -19.342 -37.033 25.856 1.00 0.00 WAT +ATOM 41650 H2 TIP3 11780 -18.684 -36.247 24.733 1.00 0.00 WAT +ATOM 41651 OH2 TIP3 11781 -18.821 -37.086 19.975 1.00 0.00 WAT +ATOM 41652 H1 TIP3 11781 -19.779 -37.187 19.820 1.00 0.00 WAT +ATOM 41653 H2 TIP3 11781 -18.478 -37.266 19.080 1.00 0.00 WAT +ATOM 41654 OH2 TIP3 11782 -13.211 -36.504 18.732 1.00 0.00 WAT +ATOM 41655 H1 TIP3 11782 -13.626 -35.677 18.406 1.00 0.00 WAT +ATOM 41656 H2 TIP3 11782 -12.534 -36.654 18.053 1.00 0.00 WAT +ATOM 41657 OH2 TIP3 11783 -13.965 -36.363 30.059 1.00 0.00 WAT +ATOM 41658 H1 TIP3 11783 -14.524 -37.054 30.467 1.00 0.00 WAT +ATOM 41659 H2 TIP3 11783 -13.133 -36.461 30.561 1.00 0.00 WAT +ATOM 41660 OH2 TIP3 11784 -12.348 -37.109 21.524 1.00 0.00 WAT +ATOM 41661 H1 TIP3 11784 -12.646 -36.526 20.798 1.00 0.00 WAT +ATOM 41662 H2 TIP3 11784 -12.142 -37.915 21.008 1.00 0.00 WAT +ATOM 41663 OH2 TIP3 11785 -21.402 -36.962 26.916 1.00 0.00 WAT +ATOM 41664 H1 TIP3 11785 -21.120 -36.690 27.797 1.00 0.00 WAT +ATOM 41665 H2 TIP3 11785 -21.795 -37.837 27.103 1.00 0.00 WAT +ATOM 41666 OH2 TIP3 11786 -18.228 -39.325 13.400 1.00 0.00 WAT +ATOM 41667 H1 TIP3 11786 -18.329 -39.702 14.298 1.00 0.00 WAT +ATOM 41668 H2 TIP3 11786 -19.115 -39.449 13.033 1.00 0.00 WAT +ATOM 41669 OH2 TIP3 11787 -24.589 -39.524 20.562 1.00 0.00 WAT +ATOM 41670 H1 TIP3 11787 -24.009 -39.576 21.346 1.00 0.00 WAT +ATOM 41671 H2 TIP3 11787 -24.073 -39.946 19.861 1.00 0.00 WAT +ATOM 41672 OH2 TIP3 11788 -22.986 -39.084 16.296 1.00 0.00 WAT +ATOM 41673 H1 TIP3 11788 -22.449 -38.612 15.635 1.00 0.00 WAT +ATOM 41674 H2 TIP3 11788 -23.711 -38.450 16.453 1.00 0.00 WAT +ATOM 41675 OH2 TIP3 11789 -13.213 -35.440 26.024 1.00 0.00 WAT +ATOM 41676 H1 TIP3 11789 -12.805 -36.175 25.514 1.00 0.00 WAT +ATOM 41677 H2 TIP3 11789 -13.590 -35.911 26.781 1.00 0.00 WAT +ATOM 41678 OH2 TIP3 11790 -16.043 -39.437 20.965 1.00 0.00 WAT +ATOM 41679 H1 TIP3 11790 -16.983 -39.586 21.166 1.00 0.00 WAT +ATOM 41680 H2 TIP3 11790 -15.621 -39.716 21.793 1.00 0.00 WAT +ATOM 41681 OH2 TIP3 11791 -21.463 -38.253 19.657 1.00 0.00 WAT +ATOM 41682 H1 TIP3 11791 -22.296 -37.996 19.222 1.00 0.00 WAT +ATOM 41683 H2 TIP3 11791 -21.219 -39.085 19.208 1.00 0.00 WAT +ATOM 41684 OH2 TIP3 11792 -17.873 -37.888 17.297 1.00 0.00 WAT +ATOM 41685 H1 TIP3 11792 -16.905 -37.849 17.401 1.00 0.00 WAT +ATOM 41686 H2 TIP3 11792 -18.059 -37.207 16.633 1.00 0.00 WAT +ATOM 41687 OH2 TIP3 11793 -11.693 -40.336 24.010 1.00 0.00 WAT +ATOM 41688 H1 TIP3 11793 -12.328 -40.343 24.758 1.00 0.00 WAT +ATOM 41689 H2 TIP3 11793 -12.281 -40.644 23.297 1.00 0.00 WAT +ATOM 41690 OH2 TIP3 11794 -19.430 -36.628 14.938 1.00 0.00 WAT +ATOM 41691 H1 TIP3 11794 -19.974 -37.161 14.343 1.00 0.00 WAT +ATOM 41692 H2 TIP3 11794 -18.569 -36.587 14.492 1.00 0.00 WAT +ATOM 41693 OH2 TIP3 11795 -8.656 -24.568 30.677 1.00 0.00 WAT +ATOM 41694 H1 TIP3 11795 -8.434 -24.119 29.842 1.00 0.00 WAT +ATOM 41695 H2 TIP3 11795 -7.947 -24.253 31.263 1.00 0.00 WAT +ATOM 41696 OH2 TIP3 11796 -20.751 -31.946 30.100 1.00 0.00 WAT +ATOM 41697 H1 TIP3 11796 -20.067 -31.869 30.800 1.00 0.00 WAT +ATOM 41698 H2 TIP3 11796 -21.549 -31.958 30.662 1.00 0.00 WAT +ATOM 41699 OH2 TIP3 11797 -15.029 -36.939 22.833 1.00 0.00 WAT +ATOM 41700 H1 TIP3 11797 -14.319 -37.386 22.350 1.00 0.00 WAT +ATOM 41701 H2 TIP3 11797 -15.202 -37.563 23.564 1.00 0.00 WAT +ATOM 41702 OH2 TIP3 11798 -19.885 -40.658 19.036 1.00 0.00 WAT +ATOM 41703 H1 TIP3 11798 -20.377 -41.490 19.148 1.00 0.00 WAT +ATOM 41704 H2 TIP3 11798 -19.039 -40.972 18.685 1.00 0.00 WAT +ATOM 41705 OH2 TIP3 11799 -16.057 -38.486 25.088 1.00 0.00 WAT +ATOM 41706 H1 TIP3 11799 -16.823 -37.887 25.071 1.00 0.00 WAT +ATOM 41707 H2 TIP3 11799 -15.573 -38.198 25.889 1.00 0.00 WAT +ATOM 41708 OH2 TIP3 11800 -16.024 -31.977 16.907 1.00 0.00 WAT +ATOM 41709 H1 TIP3 11800 -16.737 -32.571 16.588 1.00 0.00 WAT +ATOM 41710 H2 TIP3 11800 -16.146 -32.004 17.883 1.00 0.00 WAT +ATOM 41711 OH2 TIP3 11801 -8.680 -32.947 25.697 1.00 0.00 WAT +ATOM 41712 H1 TIP3 11801 -8.194 -32.383 25.056 1.00 0.00 WAT +ATOM 41713 H2 TIP3 11801 -9.544 -33.043 25.248 1.00 0.00 WAT +ATOM 41714 OH2 TIP3 11802 -11.767 -39.342 14.614 1.00 0.00 WAT +ATOM 41715 H1 TIP3 11802 -12.751 -39.360 14.605 1.00 0.00 WAT +ATOM 41716 H2 TIP3 11802 -11.568 -38.620 15.242 1.00 0.00 WAT +ATOM 41717 OH2 TIP3 11803 -14.294 -32.091 28.280 1.00 0.00 WAT +ATOM 41718 H1 TIP3 11803 -14.568 -32.403 29.154 1.00 0.00 WAT +ATOM 41719 H2 TIP3 11803 -14.580 -31.164 28.290 1.00 0.00 WAT +ATOM 41720 OH2 TIP3 11804 -11.103 -37.485 16.733 1.00 0.00 WAT +ATOM 41721 H1 TIP3 11804 -10.232 -37.620 17.155 1.00 0.00 WAT +ATOM 41722 H2 TIP3 11804 -11.007 -36.596 16.346 1.00 0.00 WAT +ATOM 41723 OH2 TIP3 11805 -20.770 -32.699 22.793 1.00 0.00 WAT +ATOM 41724 H1 TIP3 11805 -20.223 -32.816 21.998 1.00 0.00 WAT +ATOM 41725 H2 TIP3 11805 -20.689 -33.565 23.224 1.00 0.00 WAT +ATOM 41726 OH2 TIP3 11806 -13.549 -30.688 15.911 1.00 0.00 WAT +ATOM 41727 H1 TIP3 11806 -13.816 -29.834 16.303 1.00 0.00 WAT +ATOM 41728 H2 TIP3 11806 -14.307 -31.246 16.158 1.00 0.00 WAT +ATOM 41729 OH2 TIP3 11807 -23.544 -34.426 28.060 1.00 0.00 WAT +ATOM 41730 H1 TIP3 11807 -23.364 -34.881 28.906 1.00 0.00 WAT +ATOM 41731 H2 TIP3 11807 -24.118 -35.057 27.594 1.00 0.00 WAT +ATOM 41732 OH2 TIP3 11808 -16.550 -34.934 30.029 1.00 0.00 WAT +ATOM 41733 H1 TIP3 11808 -16.889 -35.182 29.153 1.00 0.00 WAT +ATOM 41734 H2 TIP3 11808 -15.612 -35.175 29.937 1.00 0.00 WAT +ATOM 41735 OH2 TIP3 11809 -12.018 -29.519 27.761 1.00 0.00 WAT +ATOM 41736 H1 TIP3 11809 -12.981 -29.410 27.696 1.00 0.00 WAT +ATOM 41737 H2 TIP3 11809 -11.849 -29.240 28.677 1.00 0.00 WAT +ATOM 41738 OH2 TIP3 11810 -6.488 -37.449 16.539 1.00 0.00 WAT +ATOM 41739 H1 TIP3 11810 -7.040 -37.642 15.755 1.00 0.00 WAT +ATOM 41740 H2 TIP3 11810 -6.370 -36.487 16.394 1.00 0.00 WAT +ATOM 41741 OH2 TIP3 11811 -6.043 -31.478 29.325 1.00 0.00 WAT +ATOM 41742 H1 TIP3 11811 -6.973 -31.228 29.138 1.00 0.00 WAT +ATOM 41743 H2 TIP3 11811 -5.697 -31.569 28.414 1.00 0.00 WAT +ATOM 41744 OH2 TIP3 11812 -8.382 -28.888 16.580 1.00 0.00 WAT +ATOM 41745 H1 TIP3 11812 -8.425 -29.655 17.166 1.00 0.00 WAT +ATOM 41746 H2 TIP3 11812 -7.747 -29.159 15.900 1.00 0.00 WAT +ATOM 41747 OH2 TIP3 11813 -11.033 -33.503 24.012 1.00 0.00 WAT +ATOM 41748 H1 TIP3 11813 -11.969 -33.644 23.773 1.00 0.00 WAT +ATOM 41749 H2 TIP3 11813 -10.602 -34.218 23.506 1.00 0.00 WAT +ATOM 41750 OH2 TIP3 11814 -18.381 -29.365 20.002 1.00 0.00 WAT +ATOM 41751 H1 TIP3 11814 -17.969 -28.502 19.826 1.00 0.00 WAT +ATOM 41752 H2 TIP3 11814 -19.308 -29.174 19.812 1.00 0.00 WAT +ATOM 41753 OH2 TIP3 11815 -22.416 -34.650 14.692 1.00 0.00 WAT +ATOM 41754 H1 TIP3 11815 -21.848 -33.946 15.053 1.00 0.00 WAT +ATOM 41755 H2 TIP3 11815 -23.299 -34.348 14.979 1.00 0.00 WAT +ATOM 41756 OH2 TIP3 11816 -16.578 -31.705 19.676 1.00 0.00 WAT +ATOM 41757 H1 TIP3 11816 -16.898 -30.801 19.821 1.00 0.00 WAT +ATOM 41758 H2 TIP3 11816 -17.279 -32.224 20.096 1.00 0.00 WAT +ATOM 41759 OH2 TIP3 11817 -16.410 -27.467 26.016 1.00 0.00 WAT +ATOM 41760 H1 TIP3 11817 -15.851 -26.719 25.745 1.00 0.00 WAT +ATOM 41761 H2 TIP3 11817 -15.797 -27.962 26.585 1.00 0.00 WAT +ATOM 41762 OH2 TIP3 11818 -17.919 -26.651 18.994 1.00 0.00 WAT +ATOM 41763 H1 TIP3 11818 -18.871 -26.465 19.002 1.00 0.00 WAT +ATOM 41764 H2 TIP3 11818 -17.560 -25.777 19.223 1.00 0.00 WAT +ATOM 41765 OH2 TIP3 11819 -13.006 -31.729 25.584 1.00 0.00 WAT +ATOM 41766 H1 TIP3 11819 -13.291 -31.991 26.477 1.00 0.00 WAT +ATOM 41767 H2 TIP3 11819 -12.262 -32.333 25.425 1.00 0.00 WAT +ATOM 41768 OH2 TIP3 11820 -10.850 -30.402 14.493 1.00 0.00 WAT +ATOM 41769 H1 TIP3 11820 -10.385 -30.812 15.243 1.00 0.00 WAT +ATOM 41770 H2 TIP3 11820 -11.764 -30.536 14.786 1.00 0.00 WAT +ATOM 41771 OH2 TIP3 11821 -10.051 -27.150 27.972 1.00 0.00 WAT +ATOM 41772 H1 TIP3 11821 -10.814 -27.589 27.550 1.00 0.00 WAT +ATOM 41773 H2 TIP3 11821 -9.946 -26.347 27.429 1.00 0.00 WAT +ATOM 41774 OH2 TIP3 11822 -6.093 -26.138 15.031 1.00 0.00 WAT +ATOM 41775 H1 TIP3 11822 -5.390 -25.491 14.843 1.00 0.00 WAT +ATOM 41776 H2 TIP3 11822 -6.855 -25.528 15.042 1.00 0.00 WAT +ATOM 41777 OH2 TIP3 11823 -22.190 -39.615 27.631 1.00 0.00 WAT +ATOM 41778 H1 TIP3 11823 -23.104 -39.427 27.326 1.00 0.00 WAT +ATOM 41779 H2 TIP3 11823 -22.349 -40.473 28.081 1.00 0.00 WAT +ATOM 41780 OH2 TIP3 11824 -9.888 -31.805 16.915 1.00 0.00 WAT +ATOM 41781 H1 TIP3 11824 -10.113 -32.546 17.503 1.00 0.00 WAT +ATOM 41782 H2 TIP3 11824 -8.915 -31.813 16.950 1.00 0.00 WAT +ATOM 41783 OH2 TIP3 11825 -22.454 -28.027 26.066 1.00 0.00 WAT +ATOM 41784 H1 TIP3 11825 -22.154 -28.934 26.225 1.00 0.00 WAT +ATOM 41785 H2 TIP3 11825 -22.221 -27.618 26.909 1.00 0.00 WAT +ATOM 41786 OH2 TIP3 11826 -16.566 -29.291 13.109 1.00 0.00 WAT +ATOM 41787 H1 TIP3 11826 -16.224 -30.023 12.564 1.00 0.00 WAT +ATOM 41788 H2 TIP3 11826 -16.955 -29.774 13.853 1.00 0.00 WAT +ATOM 41789 OH2 TIP3 11827 -17.734 -29.529 15.958 1.00 0.00 WAT +ATOM 41790 H1 TIP3 11827 -17.268 -30.275 16.368 1.00 0.00 WAT +ATOM 41791 H2 TIP3 11827 -17.447 -28.799 16.515 1.00 0.00 WAT +ATOM 41792 OH2 TIP3 11828 -20.890 -32.398 16.208 1.00 0.00 WAT +ATOM 41793 H1 TIP3 11828 -21.642 -32.034 16.718 1.00 0.00 WAT +ATOM 41794 H2 TIP3 11828 -20.483 -31.576 15.883 1.00 0.00 WAT +ATOM 41795 OH2 TIP3 11829 -13.241 -40.092 26.292 1.00 0.00 WAT +ATOM 41796 H1 TIP3 11829 -12.696 -39.831 27.043 1.00 0.00 WAT +ATOM 41797 H2 TIP3 11829 -13.674 -40.901 26.617 1.00 0.00 WAT +ATOM 41798 OH2 TIP3 11830 -12.503 -40.564 17.449 1.00 0.00 WAT +ATOM 41799 H1 TIP3 11830 -12.412 -39.979 16.682 1.00 0.00 WAT +ATOM 41800 H2 TIP3 11830 -12.143 -40.012 18.162 1.00 0.00 WAT +ATOM 41801 OH2 TIP3 11831 -14.875 -28.193 16.458 1.00 0.00 WAT +ATOM 41802 H1 TIP3 11831 -15.567 -27.567 16.684 1.00 0.00 WAT +ATOM 41803 H2 TIP3 11831 -14.445 -27.782 15.690 1.00 0.00 WAT +ATOM 41804 OH2 TIP3 11832 -15.208 -38.490 18.450 1.00 0.00 WAT +ATOM 41805 H1 TIP3 11832 -14.453 -37.878 18.577 1.00 0.00 WAT +ATOM 41806 H2 TIP3 11832 -15.482 -38.661 19.373 1.00 0.00 WAT +ATOM 41807 OH2 TIP3 11833 -14.800 -37.598 27.557 1.00 0.00 WAT +ATOM 41808 H1 TIP3 11833 -14.763 -37.091 28.388 1.00 0.00 WAT +ATOM 41809 H2 TIP3 11833 -14.274 -38.374 27.783 1.00 0.00 WAT +ATOM 41810 OH2 TIP3 11834 -14.409 -41.730 19.494 1.00 0.00 WAT +ATOM 41811 H1 TIP3 11834 -14.795 -40.965 19.954 1.00 0.00 WAT +ATOM 41812 H2 TIP3 11834 -13.911 -41.298 18.776 1.00 0.00 WAT +ATOM 41813 OH2 TIP3 11835 -18.878 -40.451 15.882 1.00 0.00 WAT +ATOM 41814 H1 TIP3 11835 -18.879 -39.685 16.483 1.00 0.00 WAT +ATOM 41815 H2 TIP3 11835 -18.054 -40.890 16.163 1.00 0.00 WAT +ATOM 41816 OH2 TIP3 11836 -8.206 -39.677 28.150 1.00 0.00 WAT +ATOM 41817 H1 TIP3 11836 -9.151 -39.583 28.373 1.00 0.00 WAT +ATOM 41818 H2 TIP3 11836 -8.334 -39.814 27.195 1.00 0.00 WAT +ATOM 41819 OH2 TIP3 11837 -10.040 -35.754 22.486 1.00 0.00 WAT +ATOM 41820 H1 TIP3 11837 -10.871 -36.184 22.208 1.00 0.00 WAT +ATOM 41821 H2 TIP3 11837 -9.577 -36.482 22.953 1.00 0.00 WAT +ATOM 41822 OH2 TIP3 11838 -20.434 -29.661 14.987 1.00 0.00 WAT +ATOM 41823 H1 TIP3 11838 -19.655 -29.206 15.356 1.00 0.00 WAT +ATOM 41824 H2 TIP3 11838 -20.017 -30.117 14.238 1.00 0.00 WAT +ATOM 41825 OH2 TIP3 11839 -22.219 -37.432 13.936 1.00 0.00 WAT +ATOM 41826 H1 TIP3 11839 -22.178 -36.519 14.286 1.00 0.00 WAT +ATOM 41827 H2 TIP3 11839 -23.140 -37.499 13.642 1.00 0.00 WAT +ATOM 41828 OH2 TIP3 11840 -8.973 -26.875 23.910 1.00 0.00 WAT +ATOM 41829 H1 TIP3 11840 -9.156 -26.080 23.372 1.00 0.00 WAT +ATOM 41830 H2 TIP3 11840 -8.026 -26.744 24.084 1.00 0.00 WAT +ATOM 41831 OH2 TIP3 11841 -22.206 -42.421 23.018 1.00 0.00 WAT +ATOM 41832 H1 TIP3 11841 -21.868 -42.429 22.109 1.00 0.00 WAT +ATOM 41833 H2 TIP3 11841 -21.956 -43.319 23.287 1.00 0.00 WAT +ATOM 41834 OH2 TIP3 11842 -22.522 -28.894 19.142 1.00 0.00 WAT +ATOM 41835 H1 TIP3 11842 -23.301 -28.375 19.382 1.00 0.00 WAT +ATOM 41836 H2 TIP3 11842 -22.148 -28.360 18.424 1.00 0.00 WAT +ATOM 41837 OH2 TIP3 11843 -23.117 -25.975 30.285 1.00 0.00 WAT +ATOM 41838 H1 TIP3 11843 -22.528 -26.256 31.013 1.00 0.00 WAT +ATOM 41839 H2 TIP3 11843 -23.501 -26.831 30.009 1.00 0.00 WAT +ATOM 41840 OH2 TIP3 11844 -18.425 -26.896 32.053 1.00 0.00 WAT +ATOM 41841 H1 TIP3 11844 -17.741 -27.537 32.301 1.00 0.00 WAT +ATOM 41842 H2 TIP3 11844 -18.641 -27.190 31.153 1.00 0.00 WAT +ATOM 41843 OH2 TIP3 11845 -14.493 -27.443 13.736 1.00 0.00 WAT +ATOM 41844 H1 TIP3 11845 -15.092 -28.176 13.475 1.00 0.00 WAT +ATOM 41845 H2 TIP3 11845 -13.642 -27.770 13.394 1.00 0.00 WAT +ATOM 41846 OH2 TIP3 11846 -11.930 -28.667 30.631 1.00 0.00 WAT +ATOM 41847 H1 TIP3 11846 -12.336 -29.462 31.020 1.00 0.00 WAT +ATOM 41848 H2 TIP3 11846 -11.260 -28.428 31.296 1.00 0.00 WAT +ATOM 41849 OH2 TIP3 11847 -9.849 -27.669 13.767 1.00 0.00 WAT +ATOM 41850 H1 TIP3 11847 -9.607 -28.452 14.289 1.00 0.00 WAT +ATOM 41851 H2 TIP3 11847 -9.063 -27.558 13.204 1.00 0.00 WAT +ATOM 41852 OH2 TIP3 11848 -23.165 -32.355 31.403 1.00 0.00 WAT +ATOM 41853 H1 TIP3 11848 -23.069 -33.259 31.061 1.00 0.00 WAT +ATOM 41854 H2 TIP3 11848 -23.924 -32.040 30.875 1.00 0.00 WAT +ATOM 41855 OH2 TIP3 11849 -18.925 -31.845 13.470 1.00 0.00 WAT +ATOM 41856 H1 TIP3 11849 -18.774 -32.505 14.165 1.00 0.00 WAT +ATOM 41857 H2 TIP3 11849 -18.101 -31.924 12.949 1.00 0.00 WAT +ATOM 41858 OH2 TIP3 11850 -16.521 -32.155 30.744 1.00 0.00 WAT +ATOM 41859 H1 TIP3 11850 -16.833 -31.829 29.883 1.00 0.00 WAT +ATOM 41860 H2 TIP3 11850 -16.454 -33.121 30.599 1.00 0.00 WAT +ATOM 41861 OH2 TIP3 11851 -13.789 -30.606 13.055 1.00 0.00 WAT +ATOM 41862 H1 TIP3 11851 -13.728 -30.637 14.025 1.00 0.00 WAT +ATOM 41863 H2 TIP3 11851 -13.755 -31.562 12.844 1.00 0.00 WAT +ATOM 41864 OH2 TIP3 11852 -11.149 -32.530 28.143 1.00 0.00 WAT +ATOM 41865 H1 TIP3 11852 -10.387 -31.967 27.937 1.00 0.00 WAT +ATOM 41866 H2 TIP3 11852 -11.866 -31.874 28.133 1.00 0.00 WAT +ATOM 41867 OH2 TIP3 11853 -22.296 -35.228 30.570 1.00 0.00 WAT +ATOM 41868 H1 TIP3 11853 -21.542 -35.843 30.574 1.00 0.00 WAT +ATOM 41869 H2 TIP3 11853 -22.335 -34.993 31.512 1.00 0.00 WAT +ATOM 41870 OH2 TIP3 11854 -17.834 -33.869 15.762 1.00 0.00 WAT +ATOM 41871 H1 TIP3 11854 -18.484 -34.342 16.303 1.00 0.00 WAT +ATOM 41872 H2 TIP3 11854 -17.578 -34.558 15.118 1.00 0.00 WAT +ATOM 41873 OH2 TIP3 11855 -18.640 -36.093 27.992 1.00 0.00 WAT +ATOM 41874 H1 TIP3 11855 -19.171 -35.307 28.216 1.00 0.00 WAT +ATOM 41875 H2 TIP3 11855 -17.989 -35.718 27.372 1.00 0.00 WAT +ATOM 41876 OH2 TIP3 11856 -16.872 -35.837 13.935 1.00 0.00 WAT +ATOM 41877 H1 TIP3 11856 -16.856 -35.780 12.967 1.00 0.00 WAT +ATOM 41878 H2 TIP3 11856 -15.920 -35.871 14.152 1.00 0.00 WAT +ATOM 41879 OH2 TIP3 11857 -13.364 -33.394 31.546 1.00 0.00 WAT +ATOM 41880 H1 TIP3 11857 -12.445 -33.569 31.302 1.00 0.00 WAT +ATOM 41881 H2 TIP3 11857 -13.592 -34.198 32.038 1.00 0.00 WAT +ATOM 41882 OH2 TIP3 11858 -7.402 -33.325 13.338 1.00 0.00 WAT +ATOM 41883 H1 TIP3 11858 -7.490 -33.720 12.458 1.00 0.00 WAT +ATOM 41884 H2 TIP3 11858 -7.489 -32.372 13.115 1.00 0.00 WAT +ATOM 41885 OH2 TIP3 11859 -18.059 -38.800 29.108 1.00 0.00 WAT +ATOM 41886 H1 TIP3 11859 -17.970 -39.438 28.382 1.00 0.00 WAT +ATOM 41887 H2 TIP3 11859 -18.265 -37.979 28.626 1.00 0.00 WAT +ATOM 41888 OH2 TIP3 11860 -17.663 -40.378 26.540 1.00 0.00 WAT +ATOM 41889 H1 TIP3 11860 -17.146 -39.818 25.924 1.00 0.00 WAT +ATOM 41890 H2 TIP3 11860 -18.576 -40.274 26.199 1.00 0.00 WAT +ATOM 41891 OH2 TIP3 11861 -16.156 -34.878 26.989 1.00 0.00 WAT +ATOM 41892 H1 TIP3 11861 -15.311 -34.933 26.519 1.00 0.00 WAT +ATOM 41893 H2 TIP3 11861 -16.475 -34.001 26.699 1.00 0.00 WAT +ATOM 41894 OH2 TIP3 11862 -11.584 -37.071 31.777 1.00 0.00 WAT +ATOM 41895 H1 TIP3 11862 -11.371 -37.986 32.010 1.00 0.00 WAT +ATOM 41896 H2 TIP3 11862 -10.722 -36.637 31.849 1.00 0.00 WAT +ATOM 41897 OH2 TIP3 11863 -10.582 -34.221 30.221 1.00 0.00 WAT +ATOM 41898 H1 TIP3 11863 -10.969 -33.595 29.571 1.00 0.00 WAT +ATOM 41899 H2 TIP3 11863 -9.678 -34.309 29.862 1.00 0.00 WAT +ATOM 41900 OH2 TIP3 11864 -19.860 -36.955 30.911 1.00 0.00 WAT +ATOM 41901 H1 TIP3 11864 -20.362 -37.786 30.939 1.00 0.00 WAT +ATOM 41902 H2 TIP3 11864 -19.029 -37.245 30.504 1.00 0.00 WAT +ATOM 41903 OH2 TIP3 11865 -17.180 -42.774 27.767 1.00 0.00 WAT +ATOM 41904 H1 TIP3 11865 -17.070 -41.870 27.404 1.00 0.00 WAT +ATOM 41905 H2 TIP3 11865 -18.111 -42.910 27.549 1.00 0.00 WAT +ATOM 41906 OH2 TIP3 11866 -15.709 -38.436 30.690 1.00 0.00 WAT +ATOM 41907 H1 TIP3 11866 -15.979 -38.702 31.586 1.00 0.00 WAT +ATOM 41908 H2 TIP3 11866 -16.537 -38.632 30.205 1.00 0.00 WAT +ATOM 41909 OH2 TIP3 11867 -13.128 -39.501 29.638 1.00 0.00 WAT +ATOM 41910 H1 TIP3 11867 -13.996 -39.300 30.036 1.00 0.00 WAT +ATOM 41911 H2 TIP3 11867 -12.729 -40.056 30.335 1.00 0.00 WAT +ATOM 41912 OH2 TIP3 11868 -11.445 -41.187 31.525 1.00 0.00 WAT +ATOM 41913 H1 TIP3 11868 -11.480 -42.084 31.872 1.00 0.00 WAT +ATOM 41914 H2 TIP3 11868 -11.596 -40.656 32.337 1.00 0.00 WAT +ATOM 41915 OH2 TIP3 11869 -21.039 -39.599 30.827 1.00 0.00 WAT +ATOM 41916 H1 TIP3 11869 -21.312 -40.202 30.114 1.00 0.00 WAT +ATOM 41917 H2 TIP3 11869 -21.491 -39.978 31.596 1.00 0.00 WAT +ATOM 41918 OH2 TIP3 11870 -16.101 -41.508 31.767 1.00 0.00 WAT +ATOM 41919 H1 TIP3 11870 -16.372 -42.325 31.311 1.00 0.00 WAT +ATOM 41920 H2 TIP3 11870 -16.935 -41.018 31.857 1.00 0.00 WAT +ATOM 41921 OH2 TIP3 11871 -23.233 -30.217 14.675 1.00 0.00 WAT +ATOM 41922 H1 TIP3 11871 -22.278 -30.019 14.772 1.00 0.00 WAT +ATOM 41923 H2 TIP3 11871 -23.220 -30.977 14.058 1.00 0.00 WAT +ATOM 41924 OH2 TIP3 11872 -24.247 -25.001 19.389 1.00 0.00 WAT +ATOM 41925 H1 TIP3 11872 -24.950 -25.380 18.827 1.00 0.00 WAT +ATOM 41926 H2 TIP3 11872 -24.142 -25.695 20.069 1.00 0.00 WAT +ATOM 41927 OH2 TIP3 11873 -23.850 -26.985 21.370 1.00 0.00 WAT +ATOM 41928 H1 TIP3 11873 -24.134 -27.859 21.686 1.00 0.00 WAT +ATOM 41929 H2 TIP3 11873 -23.486 -26.631 22.197 1.00 0.00 WAT +ATOM 41930 OH2 TIP3 11874 -6.185 -25.815 24.335 1.00 0.00 WAT +ATOM 41931 H1 TIP3 11874 -6.014 -25.739 25.284 1.00 0.00 WAT +ATOM 41932 H2 TIP3 11874 -5.412 -25.347 23.973 1.00 0.00 WAT +ATOM 41933 OH2 TIP3 11875 -6.430 -26.270 27.283 1.00 0.00 WAT +ATOM 41934 H1 TIP3 11875 -6.889 -27.020 26.868 1.00 0.00 WAT +ATOM 41935 H2 TIP3 11875 -5.831 -26.738 27.883 1.00 0.00 WAT +ATOM 41936 OH2 TIP3 11876 -8.393 -30.898 31.582 1.00 0.00 WAT +ATOM 41937 H1 TIP3 11876 -9.290 -30.788 31.942 1.00 0.00 WAT +ATOM 41938 H2 TIP3 11876 -7.958 -30.067 31.836 1.00 0.00 WAT +ATOM 41939 OH2 TIP3 11877 -7.021 -31.940 17.283 1.00 0.00 WAT +ATOM 41940 H1 TIP3 11877 -6.116 -31.597 17.415 1.00 0.00 WAT +ATOM 41941 H2 TIP3 11877 -7.068 -32.582 18.015 1.00 0.00 WAT +ATOM 41942 OH2 TIP3 11878 -6.549 -33.980 19.251 1.00 0.00 WAT +ATOM 41943 H1 TIP3 11878 -7.204 -34.559 19.687 1.00 0.00 WAT +ATOM 41944 H2 TIP3 11878 -5.858 -33.864 19.932 1.00 0.00 WAT +ATOM 41945 OH2 TIP3 11879 -6.804 -31.496 24.246 1.00 0.00 WAT +ATOM 41946 H1 TIP3 11879 -6.195 -31.949 23.644 1.00 0.00 WAT +ATOM 41947 H2 TIP3 11879 -6.699 -30.571 23.961 1.00 0.00 WAT +ATOM 41948 OH2 TIP3 11880 -8.114 -28.629 26.511 1.00 0.00 WAT +ATOM 41949 H1 TIP3 11880 -8.832 -28.159 26.973 1.00 0.00 WAT +ATOM 41950 H2 TIP3 11880 -8.559 -28.931 25.696 1.00 0.00 WAT +ATOM 41951 OH2 TIP3 11881 -6.314 -34.556 15.843 1.00 0.00 WAT +ATOM 41952 H1 TIP3 11881 -6.800 -34.258 15.051 1.00 0.00 WAT +ATOM 41953 H2 TIP3 11881 -6.412 -33.780 16.419 1.00 0.00 WAT +ATOM 41954 OH2 TIP3 11882 -8.010 -36.998 14.094 1.00 0.00 WAT +ATOM 41955 H1 TIP3 11882 -7.749 -36.370 13.404 1.00 0.00 WAT +ATOM 41956 H2 TIP3 11882 -8.259 -37.786 13.578 1.00 0.00 WAT +ATOM 41957 OH2 TIP3 11883 -8.583 -35.848 20.084 1.00 0.00 WAT +ATOM 41958 H1 TIP3 11883 -8.688 -36.791 19.874 1.00 0.00 WAT +ATOM 41959 H2 TIP3 11883 -9.002 -35.770 20.964 1.00 0.00 WAT +ATOM 41960 OH2 TIP3 11884 -23.764 -33.636 23.770 1.00 0.00 WAT +ATOM 41961 H1 TIP3 11884 -23.516 -33.592 22.831 1.00 0.00 WAT +ATOM 41962 H2 TIP3 11884 -22.898 -33.859 24.171 1.00 0.00 WAT +ATOM 41963 OH2 TIP3 11885 -7.886 -34.040 29.344 1.00 0.00 WAT +ATOM 41964 H1 TIP3 11885 -7.112 -34.599 29.530 1.00 0.00 WAT +ATOM 41965 H2 TIP3 11885 -7.486 -33.207 29.049 1.00 0.00 WAT +ATOM 41966 OH2 TIP3 11886 -6.265 -36.207 30.351 1.00 0.00 WAT +ATOM 41967 H1 TIP3 11886 -7.135 -36.604 30.123 1.00 0.00 WAT +ATOM 41968 H2 TIP3 11886 -5.629 -36.908 30.199 1.00 0.00 WAT +ATOM 41969 OH2 TIP3 11887 -8.602 -39.698 13.260 1.00 0.00 WAT +ATOM 41970 H1 TIP3 11887 -8.011 -40.130 13.899 1.00 0.00 WAT +ATOM 41971 H2 TIP3 11887 -9.424 -40.194 13.356 1.00 0.00 WAT +ATOM 41972 OH2 TIP3 11888 -8.778 -38.268 18.274 1.00 0.00 WAT +ATOM 41973 H1 TIP3 11888 -8.601 -39.237 18.318 1.00 0.00 WAT +ATOM 41974 H2 TIP3 11888 -7.962 -37.964 17.839 1.00 0.00 WAT +ATOM 41975 OH2 TIP3 11889 -8.543 -37.760 23.685 1.00 0.00 WAT +ATOM 41976 H1 TIP3 11889 -7.580 -37.630 23.628 1.00 0.00 WAT +ATOM 41977 H2 TIP3 11889 -8.667 -37.726 24.648 1.00 0.00 WAT +ATOM 41978 OH2 TIP3 11890 -8.112 -37.210 26.531 1.00 0.00 WAT +ATOM 41979 H1 TIP3 11890 -8.967 -36.866 26.839 1.00 0.00 WAT +ATOM 41980 H2 TIP3 11890 -7.623 -36.388 26.332 1.00 0.00 WAT +ATOM 41981 OH2 TIP3 11891 -23.916 -38.355 30.293 1.00 0.00 WAT +ATOM 41982 H1 TIP3 11891 -22.988 -38.572 30.130 1.00 0.00 WAT +ATOM 41983 H2 TIP3 11891 -24.339 -39.228 30.265 1.00 0.00 WAT +ATOM 41984 OH2 TIP3 11892 -6.431 -42.708 31.785 1.00 0.00 WAT +ATOM 41985 H1 TIP3 11892 -5.784 -43.364 32.073 1.00 0.00 WAT +ATOM 41986 H2 TIP3 11892 -5.908 -41.957 31.453 1.00 0.00 WAT +ATOM 41987 OH2 TIP3 11893 -8.494 -40.984 18.346 1.00 0.00 WAT +ATOM 41988 H1 TIP3 11893 -8.239 -41.505 19.119 1.00 0.00 WAT +ATOM 41989 H2 TIP3 11893 -9.109 -41.596 17.898 1.00 0.00 WAT +ATOM 41990 OH2 TIP3 11894 -23.162 -39.899 22.982 1.00 0.00 WAT +ATOM 41991 H1 TIP3 11894 -22.849 -40.828 23.068 1.00 0.00 WAT +ATOM 41992 H2 TIP3 11894 -22.402 -39.407 23.345 1.00 0.00 WAT +ATOM 41993 OH2 TIP3 11895 -24.553 -37.275 23.998 1.00 0.00 WAT +ATOM 41994 H1 TIP3 11895 -23.962 -37.340 23.234 1.00 0.00 WAT +ATOM 41995 H2 TIP3 11895 -24.165 -36.530 24.475 1.00 0.00 WAT +ATOM 41996 OH2 TIP3 11896 -6.204 -40.670 29.957 1.00 0.00 WAT +ATOM 41997 H1 TIP3 11896 -7.018 -40.394 30.420 1.00 0.00 WAT +ATOM 41998 H2 TIP3 11896 -6.535 -41.432 29.446 1.00 0.00 WAT +ATOM 41999 OH2 TIP3 11897 -6.338 -40.600 14.984 1.00 0.00 WAT +ATOM 42000 H1 TIP3 11897 -6.164 -41.429 14.490 1.00 0.00 WAT +ATOM 42001 H2 TIP3 11897 -5.492 -40.134 14.932 1.00 0.00 WAT +ATOM 42002 OH2 TIP3 11898 -24.026 -40.976 18.104 1.00 0.00 WAT +ATOM 42003 H1 TIP3 11898 -24.968 -40.956 17.858 1.00 0.00 WAT +ATOM 42004 H2 TIP3 11898 -23.628 -40.328 17.487 1.00 0.00 WAT +ATOM 42005 OH2 TIP3 11899 -9.410 -25.699 20.216 1.00 0.00 WAT +ATOM 42006 H1 TIP3 11899 -8.971 -25.898 19.369 1.00 0.00 WAT +ATOM 42007 H2 TIP3 11899 -8.702 -25.235 20.682 1.00 0.00 WAT +ATOM 42008 OH2 TIP3 11900 -24.249 -41.267 26.583 1.00 0.00 WAT +ATOM 42009 H1 TIP3 11900 -24.232 -42.208 26.846 1.00 0.00 WAT +ATOM 42010 H2 TIP3 11900 -24.436 -41.340 25.637 1.00 0.00 WAT +ATOM 42011 OH2 TIP3 11901 -22.011 -28.960 30.887 1.00 0.00 WAT +ATOM 42012 H1 TIP3 11901 -22.755 -28.981 30.269 1.00 0.00 WAT +ATOM 42013 H2 TIP3 11901 -22.449 -29.008 31.748 1.00 0.00 WAT +ATOM 42014 OH2 TIP3 11902 -19.172 -27.985 26.564 1.00 0.00 WAT +ATOM 42015 H1 TIP3 11902 -19.474 -27.126 26.219 1.00 0.00 WAT +ATOM 42016 H2 TIP3 11902 -18.212 -27.896 26.398 1.00 0.00 WAT +ATOM 42017 OH2 TIP3 11903 -14.661 -26.684 29.582 1.00 0.00 WAT +ATOM 42018 H1 TIP3 11903 -14.520 -26.841 30.530 1.00 0.00 WAT +ATOM 42019 H2 TIP3 11903 -13.832 -26.225 29.334 1.00 0.00 WAT +ATOM 42020 OH2 TIP3 11904 -12.379 -25.222 28.823 1.00 0.00 WAT +ATOM 42021 H1 TIP3 11904 -11.683 -25.857 28.596 1.00 0.00 WAT +ATOM 42022 H2 TIP3 11904 -12.071 -24.907 29.695 1.00 0.00 WAT +ATOM 42023 OH2 TIP3 11905 -7.612 -42.759 28.025 1.00 0.00 WAT +ATOM 42024 H1 TIP3 11905 -8.176 -42.102 27.582 1.00 0.00 WAT +ATOM 42025 H2 TIP3 11905 -7.753 -43.516 27.429 1.00 0.00 WAT +ATOM 42026 OH2 TIP3 11906 -21.802 -25.030 26.903 1.00 0.00 WAT +ATOM 42027 H1 TIP3 11906 -22.389 -24.390 26.464 1.00 0.00 WAT +ATOM 42028 H2 TIP3 11906 -22.130 -24.982 27.809 1.00 0.00 WAT +ATOM 42029 OH2 TIP3 11907 -19.303 -25.259 25.451 1.00 0.00 WAT +ATOM 42030 H1 TIP3 11907 -20.154 -25.065 25.891 1.00 0.00 WAT +ATOM 42031 H2 TIP3 11907 -19.259 -24.561 24.771 1.00 0.00 WAT +ATOM 42032 OH2 TIP3 11908 -14.559 -25.253 25.014 1.00 0.00 WAT +ATOM 42033 H1 TIP3 11908 -14.926 -24.795 24.236 1.00 0.00 WAT +ATOM 42034 H2 TIP3 11908 -14.462 -24.512 25.643 1.00 0.00 WAT +ATOM 42035 OH2 TIP3 11909 -12.224 -26.546 25.931 1.00 0.00 WAT +ATOM 42036 H1 TIP3 11909 -13.067 -26.174 25.611 1.00 0.00 WAT +ATOM 42037 H2 TIP3 11909 -11.651 -25.765 25.915 1.00 0.00 WAT +ATOM 42038 OH2 TIP3 11910 -9.711 -24.807 26.111 1.00 0.00 WAT +ATOM 42039 H1 TIP3 11910 -9.725 -23.857 25.884 1.00 0.00 WAT +ATOM 42040 H2 TIP3 11910 -9.408 -25.185 25.267 1.00 0.00 WAT +ATOM 42041 OH2 TIP3 11911 -22.229 -26.236 23.847 1.00 0.00 WAT +ATOM 42042 H1 TIP3 11911 -22.235 -26.720 24.702 1.00 0.00 WAT +ATOM 42043 H2 TIP3 11911 -21.461 -26.658 23.412 1.00 0.00 WAT +ATOM 42044 OH2 TIP3 11912 -20.205 -27.470 22.308 1.00 0.00 WAT +ATOM 42045 H1 TIP3 11912 -20.355 -28.404 22.563 1.00 0.00 WAT +ATOM 42046 H2 TIP3 11912 -19.288 -27.324 22.614 1.00 0.00 WAT +ATOM 42047 OH2 TIP3 11913 -17.440 -27.030 23.163 1.00 0.00 WAT +ATOM 42048 H1 TIP3 11913 -17.261 -27.968 22.972 1.00 0.00 WAT +ATOM 42049 H2 TIP3 11913 -17.369 -27.031 24.130 1.00 0.00 WAT +ATOM 42050 OH2 TIP3 11914 -14.134 -41.123 22.490 1.00 0.00 WAT +ATOM 42051 H1 TIP3 11914 -14.768 -41.818 22.756 1.00 0.00 WAT +ATOM 42052 H2 TIP3 11914 -13.576 -41.597 21.857 1.00 0.00 WAT +ATOM 42053 OH2 TIP3 11915 -8.861 -43.262 22.958 1.00 0.00 WAT +ATOM 42054 H1 TIP3 11915 -8.270 -42.904 22.273 1.00 0.00 WAT +ATOM 42055 H2 TIP3 11915 -9.737 -43.071 22.591 1.00 0.00 WAT +ATOM 42056 OH2 TIP3 11916 -6.891 -42.249 20.758 1.00 0.00 WAT +ATOM 42057 H1 TIP3 11916 -6.369 -42.465 19.979 1.00 0.00 WAT +ATOM 42058 H2 TIP3 11916 -6.724 -41.291 20.850 1.00 0.00 WAT +ATOM 42059 OH2 TIP3 11917 -21.834 -42.773 19.930 1.00 0.00 WAT +ATOM 42060 H1 TIP3 11917 -22.675 -42.997 19.513 1.00 0.00 WAT +ATOM 42061 H2 TIP3 11917 -21.427 -43.635 20.058 1.00 0.00 WAT +ATOM 42062 OH2 TIP3 11918 -23.226 -42.908 16.112 1.00 0.00 WAT +ATOM 42063 H1 TIP3 11918 -22.907 -42.570 15.257 1.00 0.00 WAT +ATOM 42064 H2 TIP3 11918 -23.523 -42.093 16.548 1.00 0.00 WAT +ATOM 42065 OH2 TIP3 11919 -17.287 -42.271 20.042 1.00 0.00 WAT +ATOM 42066 H1 TIP3 11919 -16.343 -42.365 19.853 1.00 0.00 WAT +ATOM 42067 H2 TIP3 11919 -17.444 -42.929 20.724 1.00 0.00 WAT +ATOM 42068 OH2 TIP3 11920 -11.652 -42.669 21.438 1.00 0.00 WAT +ATOM 42069 H1 TIP3 11920 -11.424 -42.615 20.502 1.00 0.00 WAT +ATOM 42070 H2 TIP3 11920 -11.899 -43.597 21.555 1.00 0.00 WAT +ATOM 42071 OH2 TIP3 11921 -10.639 -42.719 17.377 1.00 0.00 WAT +ATOM 42072 H1 TIP3 11921 -11.395 -42.134 17.170 1.00 0.00 WAT +ATOM 42073 H2 TIP3 11921 -11.034 -43.599 17.346 1.00 0.00 WAT +ATOM 42074 OH2 TIP3 11922 -22.770 -26.957 17.094 1.00 0.00 WAT +ATOM 42075 H1 TIP3 11922 -23.388 -27.085 16.359 1.00 0.00 WAT +ATOM 42076 H2 TIP3 11922 -22.770 -25.989 17.144 1.00 0.00 WAT +ATOM 42077 OH2 TIP3 11923 -21.254 -41.068 14.361 1.00 0.00 WAT +ATOM 42078 H1 TIP3 11923 -20.652 -41.616 13.834 1.00 0.00 WAT +ATOM 42079 H2 TIP3 11923 -20.662 -40.737 15.059 1.00 0.00 WAT +ATOM 42080 OH2 TIP3 11924 -16.020 -40.584 16.718 1.00 0.00 WAT +ATOM 42081 H1 TIP3 11924 -15.960 -41.445 17.181 1.00 0.00 WAT +ATOM 42082 H2 TIP3 11924 -15.861 -39.929 17.424 1.00 0.00 WAT +ATOM 42083 OH2 TIP3 11925 -7.625 -26.085 17.794 1.00 0.00 WAT +ATOM 42084 H1 TIP3 11925 -7.809 -26.912 17.311 1.00 0.00 WAT +ATOM 42085 H2 TIP3 11925 -7.587 -25.445 17.061 1.00 0.00 WAT +ATOM 42086 OH2 TIP3 11926 -22.161 -41.779 29.255 1.00 0.00 WAT +ATOM 42087 H1 TIP3 11926 -22.615 -42.573 29.570 1.00 0.00 WAT +ATOM 42088 H2 TIP3 11926 -21.276 -42.155 29.132 1.00 0.00 WAT +ATOM 42089 OH2 TIP3 11927 -19.237 -42.790 31.891 1.00 0.00 WAT +ATOM 42090 H1 TIP3 11927 -18.373 -43.072 31.519 1.00 0.00 WAT +ATOM 42091 H2 TIP3 11927 -19.476 -43.563 32.416 1.00 0.00 WAT +ATOM 42092 OH2 TIP3 11928 -21.396 -26.092 13.871 1.00 0.00 WAT +ATOM 42093 H1 TIP3 11928 -21.607 -25.673 14.720 1.00 0.00 WAT +ATOM 42094 H2 TIP3 11928 -20.596 -26.594 14.075 1.00 0.00 WAT +ATOM 42095 OH2 TIP3 11929 -8.099 -27.352 30.167 1.00 0.00 WAT +ATOM 42096 H1 TIP3 11929 -8.826 -27.526 29.542 1.00 0.00 WAT +ATOM 42097 H2 TIP3 11929 -8.250 -26.406 30.357 1.00 0.00 WAT +ATOM 42098 OH2 TIP3 11930 6.101 -33.675 20.305 1.00 0.00 WAT +ATOM 42099 H1 TIP3 11930 6.108 -32.708 20.406 1.00 0.00 WAT +ATOM 42100 H2 TIP3 11930 5.345 -33.793 19.713 1.00 0.00 WAT +ATOM 42101 OH2 TIP3 11931 4.966 -34.222 23.362 1.00 0.00 WAT +ATOM 42102 H1 TIP3 11931 4.945 -34.785 24.153 1.00 0.00 WAT +ATOM 42103 H2 TIP3 11931 4.694 -34.837 22.666 1.00 0.00 WAT +ATOM 42104 OH2 TIP3 11932 -2.531 -34.705 25.042 1.00 0.00 WAT +ATOM 42105 H1 TIP3 11932 -2.558 -35.354 25.759 1.00 0.00 WAT +ATOM 42106 H2 TIP3 11932 -1.844 -34.099 25.353 1.00 0.00 WAT +ATOM 42107 OH2 TIP3 11933 8.647 -31.494 21.686 1.00 0.00 WAT +ATOM 42108 H1 TIP3 11933 8.268 -32.190 22.237 1.00 0.00 WAT +ATOM 42109 H2 TIP3 11933 8.924 -30.854 22.356 1.00 0.00 WAT +ATOM 42110 OH2 TIP3 11934 -1.905 -30.018 23.567 1.00 0.00 WAT +ATOM 42111 H1 TIP3 11934 -2.136 -30.931 23.301 1.00 0.00 WAT +ATOM 42112 H2 TIP3 11934 -0.955 -30.120 23.730 1.00 0.00 WAT +ATOM 42113 OH2 TIP3 11935 -4.931 -36.635 18.950 1.00 0.00 WAT +ATOM 42114 H1 TIP3 11935 -5.286 -35.733 19.012 1.00 0.00 WAT +ATOM 42115 H2 TIP3 11935 -5.645 -37.084 18.481 1.00 0.00 WAT +ATOM 42116 OH2 TIP3 11936 -4.107 -34.150 20.791 1.00 0.00 WAT +ATOM 42117 H1 TIP3 11936 -3.936 -34.980 21.274 1.00 0.00 WAT +ATOM 42118 H2 TIP3 11936 -3.279 -34.024 20.308 1.00 0.00 WAT +ATOM 42119 OH2 TIP3 11937 5.703 -26.129 22.231 1.00 0.00 WAT +ATOM 42120 H1 TIP3 11937 6.301 -26.844 21.943 1.00 0.00 WAT +ATOM 42121 H2 TIP3 11937 5.414 -26.441 23.098 1.00 0.00 WAT +ATOM 42122 OH2 TIP3 11938 3.446 -31.724 23.943 1.00 0.00 WAT +ATOM 42123 H1 TIP3 11938 3.780 -32.428 23.360 1.00 0.00 WAT +ATOM 42124 H2 TIP3 11938 4.261 -31.557 24.455 1.00 0.00 WAT +ATOM 42125 OH2 TIP3 11939 12.145 -40.215 24.558 1.00 0.00 WAT +ATOM 42126 H1 TIP3 11939 12.430 -39.636 25.290 1.00 0.00 WAT +ATOM 42127 H2 TIP3 11939 12.760 -39.919 23.861 1.00 0.00 WAT +ATOM 42128 OH2 TIP3 11940 6.706 -37.413 24.455 1.00 0.00 WAT +ATOM 42129 H1 TIP3 11940 6.948 -38.353 24.452 1.00 0.00 WAT +ATOM 42130 H2 TIP3 11940 6.664 -37.223 23.504 1.00 0.00 WAT +ATOM 42131 OH2 TIP3 11941 -0.321 -39.417 21.558 1.00 0.00 WAT +ATOM 42132 H1 TIP3 11941 -0.136 -38.571 21.102 1.00 0.00 WAT +ATOM 42133 H2 TIP3 11941 -0.622 -39.950 20.795 1.00 0.00 WAT +ATOM 42134 OH2 TIP3 11942 7.606 -39.215 19.896 1.00 0.00 WAT +ATOM 42135 H1 TIP3 11942 8.239 -39.633 20.517 1.00 0.00 WAT +ATOM 42136 H2 TIP3 11942 8.215 -38.772 19.286 1.00 0.00 WAT +ATOM 42137 OH2 TIP3 11943 -3.594 -36.655 22.041 1.00 0.00 WAT +ATOM 42138 H1 TIP3 11943 -2.959 -37.135 22.591 1.00 0.00 WAT +ATOM 42139 H2 TIP3 11943 -3.505 -37.117 21.187 1.00 0.00 WAT +ATOM 42140 OH2 TIP3 11944 1.781 -35.252 21.487 1.00 0.00 WAT +ATOM 42141 H1 TIP3 11944 2.495 -35.796 21.871 1.00 0.00 WAT +ATOM 42142 H2 TIP3 11944 1.287 -35.920 20.977 1.00 0.00 WAT +ATOM 42143 OH2 TIP3 11945 12.860 -38.710 26.979 1.00 0.00 WAT +ATOM 42144 H1 TIP3 11945 12.227 -37.999 26.790 1.00 0.00 WAT +ATOM 42145 H2 TIP3 11945 12.765 -38.817 27.932 1.00 0.00 WAT +ATOM 42146 OH2 TIP3 11946 -1.636 -40.453 25.930 1.00 0.00 WAT +ATOM 42147 H1 TIP3 11946 -1.920 -40.062 25.088 1.00 0.00 WAT +ATOM 42148 H2 TIP3 11946 -2.355 -40.195 26.513 1.00 0.00 WAT +ATOM 42149 OH2 TIP3 11947 5.997 -30.833 19.084 1.00 0.00 WAT +ATOM 42150 H1 TIP3 11947 5.713 -31.023 18.186 1.00 0.00 WAT +ATOM 42151 H2 TIP3 11947 5.565 -29.977 19.263 1.00 0.00 WAT +ATOM 42152 OH2 TIP3 11948 1.449 -32.698 25.805 1.00 0.00 WAT +ATOM 42153 H1 TIP3 11948 0.723 -32.088 26.058 1.00 0.00 WAT +ATOM 42154 H2 TIP3 11948 2.078 -32.097 25.365 1.00 0.00 WAT +ATOM 42155 OH2 TIP3 11949 9.446 -40.135 21.909 1.00 0.00 WAT +ATOM 42156 H1 TIP3 11949 8.994 -40.582 22.636 1.00 0.00 WAT +ATOM 42157 H2 TIP3 11949 10.010 -39.505 22.390 1.00 0.00 WAT +ATOM 42158 OH2 TIP3 11950 -1.871 -38.629 23.678 1.00 0.00 WAT +ATOM 42159 H1 TIP3 11950 -1.255 -37.977 24.078 1.00 0.00 WAT +ATOM 42160 H2 TIP3 11950 -1.318 -38.936 22.923 1.00 0.00 WAT +ATOM 42161 OH2 TIP3 11951 -0.573 -30.845 26.544 1.00 0.00 WAT +ATOM 42162 H1 TIP3 11951 -0.574 -29.936 26.192 1.00 0.00 WAT +ATOM 42163 H2 TIP3 11951 -1.443 -30.845 26.988 1.00 0.00 WAT +ATOM 42164 OH2 TIP3 11952 -4.264 -31.124 17.416 1.00 0.00 WAT +ATOM 42165 H1 TIP3 11952 -4.421 -30.625 16.594 1.00 0.00 WAT +ATOM 42166 H2 TIP3 11952 -4.082 -30.413 18.070 1.00 0.00 WAT +ATOM 42167 OH2 TIP3 11953 9.195 -29.675 24.186 1.00 0.00 WAT +ATOM 42168 H1 TIP3 11953 8.227 -29.542 24.202 1.00 0.00 WAT +ATOM 42169 H2 TIP3 11953 9.483 -28.822 23.814 1.00 0.00 WAT +ATOM 42170 OH2 TIP3 11954 9.648 -41.153 25.864 1.00 0.00 WAT +ATOM 42171 H1 TIP3 11954 8.855 -40.759 25.465 1.00 0.00 WAT +ATOM 42172 H2 TIP3 11954 10.321 -40.957 25.186 1.00 0.00 WAT +ATOM 42173 OH2 TIP3 11955 2.772 43.652 23.120 1.00 0.00 WAT +ATOM 42174 H1 TIP3 11955 2.440 42.785 22.877 1.00 0.00 WAT +ATOM 42175 H2 TIP3 11955 1.951 44.153 23.292 1.00 0.00 WAT +ATOM 42176 OH2 TIP3 11956 7.532 -27.753 20.782 1.00 0.00 WAT +ATOM 42177 H1 TIP3 11956 8.016 -28.528 20.436 1.00 0.00 WAT +ATOM 42178 H2 TIP3 11956 8.181 -27.039 20.635 1.00 0.00 WAT +ATOM 42179 OH2 TIP3 11957 8.961 -29.880 19.366 1.00 0.00 WAT +ATOM 42180 H1 TIP3 11957 8.444 -30.332 18.684 1.00 0.00 WAT +ATOM 42181 H2 TIP3 11957 8.896 -30.516 20.105 1.00 0.00 WAT +ATOM 42182 OH2 TIP3 11958 10.502 -31.057 27.860 1.00 0.00 WAT +ATOM 42183 H1 TIP3 11958 10.398 -31.689 27.126 1.00 0.00 WAT +ATOM 42184 H2 TIP3 11958 10.613 -30.213 27.381 1.00 0.00 WAT +ATOM 42185 OH2 TIP3 11959 4.756 -34.165 17.566 1.00 0.00 WAT +ATOM 42186 H1 TIP3 11959 4.098 -33.541 17.203 1.00 0.00 WAT +ATOM 42187 H2 TIP3 11959 5.470 -34.099 16.910 1.00 0.00 WAT +ATOM 42188 OH2 TIP3 11960 5.045 -35.978 14.628 1.00 0.00 WAT +ATOM 42189 H1 TIP3 11960 5.741 -35.647 15.224 1.00 0.00 WAT +ATOM 42190 H2 TIP3 11960 5.569 -36.524 14.025 1.00 0.00 WAT +ATOM 42191 OH2 TIP3 11961 12.235 -34.897 25.819 1.00 0.00 WAT +ATOM 42192 H1 TIP3 11961 11.537 -34.215 25.877 1.00 0.00 WAT +ATOM 42193 H2 TIP3 11961 12.737 -34.581 25.043 1.00 0.00 WAT +ATOM 42194 OH2 TIP3 11962 8.271 -34.150 18.635 1.00 0.00 WAT +ATOM 42195 H1 TIP3 11962 7.592 -33.926 19.310 1.00 0.00 WAT +ATOM 42196 H2 TIP3 11962 8.881 -34.699 19.159 1.00 0.00 WAT +ATOM 42197 OH2 TIP3 11963 8.102 -35.627 27.467 1.00 0.00 WAT +ATOM 42198 H1 TIP3 11963 8.176 -34.822 28.007 1.00 0.00 WAT +ATOM 42199 H2 TIP3 11963 7.481 -35.295 26.795 1.00 0.00 WAT +ATOM 42200 OH2 TIP3 11964 -0.169 -33.390 20.438 1.00 0.00 WAT +ATOM 42201 H1 TIP3 11964 -0.459 -33.789 19.596 1.00 0.00 WAT +ATOM 42202 H2 TIP3 11964 0.523 -34.009 20.730 1.00 0.00 WAT +ATOM 42203 OH2 TIP3 11965 1.191 -30.005 23.166 1.00 0.00 WAT +ATOM 42204 H1 TIP3 11965 1.124 -30.335 22.260 1.00 0.00 WAT +ATOM 42205 H2 TIP3 11965 2.011 -30.434 23.476 1.00 0.00 WAT +ATOM 42206 OH2 TIP3 11966 0.475 -34.597 23.927 1.00 0.00 WAT +ATOM 42207 H1 TIP3 11966 1.011 -34.532 23.111 1.00 0.00 WAT +ATOM 42208 H2 TIP3 11966 0.849 -33.884 24.480 1.00 0.00 WAT +ATOM 42209 OH2 TIP3 11967 6.409 -29.056 24.478 1.00 0.00 WAT +ATOM 42210 H1 TIP3 11967 6.414 -28.369 25.167 1.00 0.00 WAT +ATOM 42211 H2 TIP3 11967 6.178 -29.867 24.964 1.00 0.00 WAT +ATOM 42212 OH2 TIP3 11968 1.279 -30.271 28.749 1.00 0.00 WAT +ATOM 42213 H1 TIP3 11968 0.783 -29.574 29.218 1.00 0.00 WAT +ATOM 42214 H2 TIP3 11968 0.651 -30.498 28.037 1.00 0.00 WAT +ATOM 42215 OH2 TIP3 11969 7.235 -34.721 16.093 1.00 0.00 WAT +ATOM 42216 H1 TIP3 11969 7.701 -34.428 16.905 1.00 0.00 WAT +ATOM 42217 H2 TIP3 11969 7.724 -34.204 15.405 1.00 0.00 WAT +ATOM 42218 OH2 TIP3 11970 -1.793 -33.910 27.883 1.00 0.00 WAT +ATOM 42219 H1 TIP3 11970 -1.697 -33.268 28.613 1.00 0.00 WAT +ATOM 42220 H2 TIP3 11970 -2.763 -33.950 27.802 1.00 0.00 WAT +ATOM 42221 OH2 TIP3 11971 4.698 -28.102 19.664 1.00 0.00 WAT +ATOM 42222 H1 TIP3 11971 5.139 -27.781 20.460 1.00 0.00 WAT +ATOM 42223 H2 TIP3 11971 4.186 -27.330 19.377 1.00 0.00 WAT +ATOM 42224 OH2 TIP3 11972 -0.587 -28.082 29.546 1.00 0.00 WAT +ATOM 42225 H1 TIP3 11972 -0.691 -27.998 28.581 1.00 0.00 WAT +ATOM 42226 H2 TIP3 11972 -1.479 -28.335 29.843 1.00 0.00 WAT +ATOM 42227 OH2 TIP3 11973 10.396 -43.197 15.311 1.00 0.00 WAT +ATOM 42228 H1 TIP3 11973 10.049 -43.248 16.211 1.00 0.00 WAT +ATOM 42229 H2 TIP3 11973 11.204 -42.691 15.477 1.00 0.00 WAT +ATOM 42230 OH2 TIP3 11974 -1.234 -34.630 17.965 1.00 0.00 WAT +ATOM 42231 H1 TIP3 11974 -1.400 -33.860 17.390 1.00 0.00 WAT +ATOM 42232 H2 TIP3 11974 -1.885 -35.262 17.634 1.00 0.00 WAT +ATOM 42233 OH2 TIP3 11975 12.045 -28.823 14.132 1.00 0.00 WAT +ATOM 42234 H1 TIP3 11975 12.203 -27.881 14.340 1.00 0.00 WAT +ATOM 42235 H2 TIP3 11975 12.914 -29.220 14.335 1.00 0.00 WAT +ATOM 42236 OH2 TIP3 11976 -5.150 -31.955 26.671 1.00 0.00 WAT +ATOM 42237 H1 TIP3 11976 -5.600 -31.914 25.802 1.00 0.00 WAT +ATOM 42238 H2 TIP3 11976 -5.019 -32.912 26.789 1.00 0.00 WAT +ATOM 42239 OH2 TIP3 11977 -5.105 -29.062 23.623 1.00 0.00 WAT +ATOM 42240 H1 TIP3 11977 -4.164 -29.291 23.651 1.00 0.00 WAT +ATOM 42241 H2 TIP3 11977 -5.150 -28.393 24.324 1.00 0.00 WAT +ATOM 42242 OH2 TIP3 11978 13.290 -28.420 29.386 1.00 0.00 WAT +ATOM 42243 H1 TIP3 11978 13.178 -29.367 29.185 1.00 0.00 WAT +ATOM 42244 H2 TIP3 11978 12.377 -28.182 29.660 1.00 0.00 WAT +ATOM 42245 OH2 TIP3 11979 3.943 -29.208 28.183 1.00 0.00 WAT +ATOM 42246 H1 TIP3 11979 4.021 -28.376 28.693 1.00 0.00 WAT +ATOM 42247 H2 TIP3 11979 3.034 -29.489 28.404 1.00 0.00 WAT +ATOM 42248 OH2 TIP3 11980 4.287 -25.389 18.181 1.00 0.00 WAT +ATOM 42249 H1 TIP3 11980 4.196 -25.297 17.224 1.00 0.00 WAT +ATOM 42250 H2 TIP3 11980 4.234 -24.474 18.504 1.00 0.00 WAT +ATOM 42251 OH2 TIP3 11981 -1.889 -26.383 19.692 1.00 0.00 WAT +ATOM 42252 H1 TIP3 11981 -1.849 -26.730 20.604 1.00 0.00 WAT +ATOM 42253 H2 TIP3 11981 -2.813 -26.529 19.452 1.00 0.00 WAT +ATOM 42254 OH2 TIP3 11982 7.476 -25.973 15.330 1.00 0.00 WAT +ATOM 42255 H1 TIP3 11982 8.078 -26.584 14.858 1.00 0.00 WAT +ATOM 42256 H2 TIP3 11982 7.488 -26.354 16.231 1.00 0.00 WAT +ATOM 42257 OH2 TIP3 11983 6.914 -26.529 18.123 1.00 0.00 WAT +ATOM 42258 H1 TIP3 11983 5.962 -26.385 18.280 1.00 0.00 WAT +ATOM 42259 H2 TIP3 11983 7.079 -27.250 18.753 1.00 0.00 WAT +ATOM 42260 OH2 TIP3 11984 10.086 -37.092 29.769 1.00 0.00 WAT +ATOM 42261 H1 TIP3 11984 9.580 -36.678 29.057 1.00 0.00 WAT +ATOM 42262 H2 TIP3 11984 10.147 -38.016 29.465 1.00 0.00 WAT +ATOM 42263 OH2 TIP3 11985 -2.969 -30.371 27.900 1.00 0.00 WAT +ATOM 42264 H1 TIP3 11985 -2.713 -30.841 28.717 1.00 0.00 WAT +ATOM 42265 H2 TIP3 11985 -3.705 -30.905 27.550 1.00 0.00 WAT +ATOM 42266 OH2 TIP3 11986 0.232 -42.171 23.929 1.00 0.00 WAT +ATOM 42267 H1 TIP3 11986 -0.568 -42.441 23.452 1.00 0.00 WAT +ATOM 42268 H2 TIP3 11986 0.010 -41.262 24.175 1.00 0.00 WAT +ATOM 42269 OH2 TIP3 11987 4.797 -42.697 27.350 1.00 0.00 WAT +ATOM 42270 H1 TIP3 11987 4.999 -43.117 28.192 1.00 0.00 WAT +ATOM 42271 H2 TIP3 11987 3.836 -42.807 27.314 1.00 0.00 WAT +ATOM 42272 OH2 TIP3 11988 7.762 -38.645 27.804 1.00 0.00 WAT +ATOM 42273 H1 TIP3 11988 7.208 -38.742 28.600 1.00 0.00 WAT +ATOM 42274 H2 TIP3 11988 7.740 -37.686 27.637 1.00 0.00 WAT +ATOM 42275 OH2 TIP3 11989 8.778 -33.639 14.098 1.00 0.00 WAT +ATOM 42276 H1 TIP3 11989 8.575 -33.793 13.156 1.00 0.00 WAT +ATOM 42277 H2 TIP3 11989 9.711 -33.367 14.043 1.00 0.00 WAT +ATOM 42278 OH2 TIP3 11990 4.429 -39.945 14.556 1.00 0.00 WAT +ATOM 42279 H1 TIP3 11990 3.879 -40.039 15.356 1.00 0.00 WAT +ATOM 42280 H2 TIP3 11990 3.927 -40.538 13.954 1.00 0.00 WAT +ATOM 42281 OH2 TIP3 11991 0.090 -37.154 25.059 1.00 0.00 WAT +ATOM 42282 H1 TIP3 11991 -0.435 -36.981 25.853 1.00 0.00 WAT +ATOM 42283 H2 TIP3 11991 0.217 -36.247 24.697 1.00 0.00 WAT +ATOM 42284 OH2 TIP3 11992 0.042 -37.109 19.991 1.00 0.00 WAT +ATOM 42285 H1 TIP3 11992 -0.913 -37.162 19.806 1.00 0.00 WAT +ATOM 42286 H2 TIP3 11992 0.403 -37.259 19.094 1.00 0.00 WAT +ATOM 42287 OH2 TIP3 11993 5.648 -36.524 18.739 1.00 0.00 WAT +ATOM 42288 H1 TIP3 11993 5.245 -35.688 18.414 1.00 0.00 WAT +ATOM 42289 H2 TIP3 11993 6.328 -36.672 18.061 1.00 0.00 WAT +ATOM 42290 OH2 TIP3 11994 4.846 -36.328 30.064 1.00 0.00 WAT +ATOM 42291 H1 TIP3 11994 4.334 -37.059 30.463 1.00 0.00 WAT +ATOM 42292 H2 TIP3 11994 5.712 -36.423 30.507 1.00 0.00 WAT +ATOM 42293 OH2 TIP3 11995 6.485 -37.121 21.533 1.00 0.00 WAT +ATOM 42294 H1 TIP3 11995 6.206 -36.531 20.804 1.00 0.00 WAT +ATOM 42295 H2 TIP3 11995 6.717 -37.916 21.012 1.00 0.00 WAT +ATOM 42296 OH2 TIP3 11996 -2.738 -37.194 27.084 1.00 0.00 WAT +ATOM 42297 H1 TIP3 11996 -2.245 -36.660 27.723 1.00 0.00 WAT +ATOM 42298 H2 TIP3 11996 -2.761 -38.048 27.511 1.00 0.00 WAT +ATOM 42299 OH2 TIP3 11997 0.825 -39.440 13.502 1.00 0.00 WAT +ATOM 42300 H1 TIP3 11997 0.456 -39.805 14.325 1.00 0.00 WAT +ATOM 42301 H2 TIP3 11997 0.036 -39.250 12.977 1.00 0.00 WAT +ATOM 42302 OH2 TIP3 11998 -5.767 -39.597 20.589 1.00 0.00 WAT +ATOM 42303 H1 TIP3 11998 -5.162 -39.578 21.352 1.00 0.00 WAT +ATOM 42304 H2 TIP3 11998 -5.209 -39.900 19.861 1.00 0.00 WAT +ATOM 42305 OH2 TIP3 11999 -4.134 -39.101 16.294 1.00 0.00 WAT +ATOM 42306 H1 TIP3 11999 -3.604 -38.601 15.638 1.00 0.00 WAT +ATOM 42307 H2 TIP3 11999 -4.853 -38.462 16.455 1.00 0.00 WAT +ATOM 42308 OH2 TIP3 12000 5.565 -35.437 25.972 1.00 0.00 WAT +ATOM 42309 H1 TIP3 12000 6.025 -36.158 25.484 1.00 0.00 WAT +ATOM 42310 H2 TIP3 12000 5.304 -35.884 26.786 1.00 0.00 WAT +ATOM 42311 OH2 TIP3 12001 2.821 -39.454 20.959 1.00 0.00 WAT +ATOM 42312 H1 TIP3 12001 1.877 -39.586 21.149 1.00 0.00 WAT +ATOM 42313 H2 TIP3 12001 3.225 -39.658 21.815 1.00 0.00 WAT +ATOM 42314 OH2 TIP3 12002 -2.663 -38.285 19.709 1.00 0.00 WAT +ATOM 42315 H1 TIP3 12002 -3.441 -37.974 19.210 1.00 0.00 WAT +ATOM 42316 H2 TIP3 12002 -2.367 -39.069 19.209 1.00 0.00 WAT +ATOM 42317 OH2 TIP3 12003 1.000 -37.889 17.383 1.00 0.00 WAT +ATOM 42318 H1 TIP3 12003 1.971 -37.828 17.387 1.00 0.00 WAT +ATOM 42319 H2 TIP3 12003 0.740 -37.338 16.623 1.00 0.00 WAT +ATOM 42320 OH2 TIP3 12004 7.156 -40.365 24.028 1.00 0.00 WAT +ATOM 42321 H1 TIP3 12004 6.513 -40.333 24.767 1.00 0.00 WAT +ATOM 42322 H2 TIP3 12004 6.559 -40.625 23.304 1.00 0.00 WAT +ATOM 42323 OH2 TIP3 12005 -0.514 -36.743 15.130 1.00 0.00 WAT +ATOM 42324 H1 TIP3 12005 -1.108 -36.947 14.391 1.00 0.00 WAT +ATOM 42325 H2 TIP3 12005 0.286 -36.476 14.643 1.00 0.00 WAT +ATOM 42326 OH2 TIP3 12006 10.207 -24.584 30.674 1.00 0.00 WAT +ATOM 42327 H1 TIP3 12006 10.412 -24.111 29.849 1.00 0.00 WAT +ATOM 42328 H2 TIP3 12006 10.894 -24.249 31.272 1.00 0.00 WAT +ATOM 42329 OH2 TIP3 12007 -1.896 -31.973 30.083 1.00 0.00 WAT +ATOM 42330 H1 TIP3 12007 -1.209 -31.867 30.774 1.00 0.00 WAT +ATOM 42331 H2 TIP3 12007 -2.692 -31.909 30.645 1.00 0.00 WAT +ATOM 42332 OH2 TIP3 12008 3.807 -36.967 22.812 1.00 0.00 WAT +ATOM 42333 H1 TIP3 12008 4.571 -37.341 22.346 1.00 0.00 WAT +ATOM 42334 H2 TIP3 12008 3.704 -37.580 23.562 1.00 0.00 WAT +ATOM 42335 OH2 TIP3 12009 -1.041 -40.654 19.075 1.00 0.00 WAT +ATOM 42336 H1 TIP3 12009 -1.489 -41.512 19.170 1.00 0.00 WAT +ATOM 42337 H2 TIP3 12009 -0.218 -40.899 18.628 1.00 0.00 WAT +ATOM 42338 OH2 TIP3 12010 2.768 -38.529 25.108 1.00 0.00 WAT +ATOM 42339 H1 TIP3 12010 2.053 -37.875 25.052 1.00 0.00 WAT +ATOM 42340 H2 TIP3 12010 3.280 -38.228 25.886 1.00 0.00 WAT +ATOM 42341 OH2 TIP3 12011 2.943 -32.102 16.969 1.00 0.00 WAT +ATOM 42342 H1 TIP3 12011 2.177 -32.599 16.608 1.00 0.00 WAT +ATOM 42343 H2 TIP3 12011 2.736 -32.057 17.930 1.00 0.00 WAT +ATOM 42344 OH2 TIP3 12012 10.155 -32.937 25.703 1.00 0.00 WAT +ATOM 42345 H1 TIP3 12012 10.661 -32.393 25.061 1.00 0.00 WAT +ATOM 42346 H2 TIP3 12012 9.304 -33.040 25.234 1.00 0.00 WAT +ATOM 42347 OH2 TIP3 12013 7.104 -39.327 14.600 1.00 0.00 WAT +ATOM 42348 H1 TIP3 12013 6.120 -39.379 14.607 1.00 0.00 WAT +ATOM 42349 H2 TIP3 12013 7.289 -38.619 15.249 1.00 0.00 WAT +ATOM 42350 OH2 TIP3 12014 4.539 -32.106 28.290 1.00 0.00 WAT +ATOM 42351 H1 TIP3 12014 4.284 -32.379 29.181 1.00 0.00 WAT +ATOM 42352 H2 TIP3 12014 4.285 -31.169 28.277 1.00 0.00 WAT +ATOM 42353 OH2 TIP3 12015 7.752 -37.490 16.738 1.00 0.00 WAT +ATOM 42354 H1 TIP3 12015 8.626 -37.620 17.158 1.00 0.00 WAT +ATOM 42355 H2 TIP3 12015 7.842 -36.598 16.354 1.00 0.00 WAT +ATOM 42356 OH2 TIP3 12016 -1.926 -32.745 22.808 1.00 0.00 WAT +ATOM 42357 H1 TIP3 12016 -1.395 -32.791 21.994 1.00 0.00 WAT +ATOM 42358 H2 TIP3 12016 -1.779 -33.623 23.190 1.00 0.00 WAT +ATOM 42359 OH2 TIP3 12017 5.330 -30.734 15.905 1.00 0.00 WAT +ATOM 42360 H1 TIP3 12017 5.073 -29.868 16.280 1.00 0.00 WAT +ATOM 42361 H2 TIP3 12017 4.569 -31.284 16.168 1.00 0.00 WAT +ATOM 42362 OH2 TIP3 12018 -4.635 -34.460 28.042 1.00 0.00 WAT +ATOM 42363 H1 TIP3 12018 -4.508 -34.877 28.917 1.00 0.00 WAT +ATOM 42364 H2 TIP3 12018 -5.343 -34.978 27.631 1.00 0.00 WAT +ATOM 42365 OH2 TIP3 12019 2.295 -34.960 30.024 1.00 0.00 WAT +ATOM 42366 H1 TIP3 12019 2.011 -35.141 29.113 1.00 0.00 WAT +ATOM 42367 H2 TIP3 12019 3.240 -35.190 29.962 1.00 0.00 WAT +ATOM 42368 OH2 TIP3 12020 6.833 -29.542 27.770 1.00 0.00 WAT +ATOM 42369 H1 TIP3 12020 5.872 -29.408 27.699 1.00 0.00 WAT +ATOM 42370 H2 TIP3 12020 7.008 -29.240 28.676 1.00 0.00 WAT +ATOM 42371 OH2 TIP3 12021 12.355 -37.449 16.543 1.00 0.00 WAT +ATOM 42372 H1 TIP3 12021 11.811 -37.651 15.756 1.00 0.00 WAT +ATOM 42373 H2 TIP3 12021 12.482 -36.490 16.390 1.00 0.00 WAT +ATOM 42374 OH2 TIP3 12022 12.830 -31.393 29.332 1.00 0.00 WAT +ATOM 42375 H1 TIP3 12022 11.891 -31.191 29.136 1.00 0.00 WAT +ATOM 42376 H2 TIP3 12022 13.159 -31.600 28.434 1.00 0.00 WAT +ATOM 42377 OH2 TIP3 12023 10.548 -28.838 16.616 1.00 0.00 WAT +ATOM 42378 H1 TIP3 12023 10.360 -29.613 17.164 1.00 0.00 WAT +ATOM 42379 H2 TIP3 12023 11.107 -29.194 15.911 1.00 0.00 WAT +ATOM 42380 OH2 TIP3 12024 7.815 -33.512 24.024 1.00 0.00 WAT +ATOM 42381 H1 TIP3 12024 6.885 -33.645 23.761 1.00 0.00 WAT +ATOM 42382 H2 TIP3 12024 8.256 -34.218 23.512 1.00 0.00 WAT +ATOM 42383 OH2 TIP3 12025 0.443 -29.414 20.046 1.00 0.00 WAT +ATOM 42384 H1 TIP3 12025 0.863 -28.546 19.917 1.00 0.00 WAT +ATOM 42385 H2 TIP3 12025 -0.474 -29.208 19.822 1.00 0.00 WAT +ATOM 42386 OH2 TIP3 12026 -3.544 -34.638 14.684 1.00 0.00 WAT +ATOM 42387 H1 TIP3 12026 -2.974 -33.936 15.048 1.00 0.00 WAT +ATOM 42388 H2 TIP3 12026 -4.426 -34.322 14.955 1.00 0.00 WAT +ATOM 42389 OH2 TIP3 12027 2.276 -31.736 19.672 1.00 0.00 WAT +ATOM 42390 H1 TIP3 12027 2.003 -30.813 19.801 1.00 0.00 WAT +ATOM 42391 H2 TIP3 12027 1.551 -32.209 20.103 1.00 0.00 WAT +ATOM 42392 OH2 TIP3 12028 2.450 -27.483 26.025 1.00 0.00 WAT +ATOM 42393 H1 TIP3 12028 2.975 -26.722 25.725 1.00 0.00 WAT +ATOM 42394 H2 TIP3 12028 3.090 -27.940 26.592 1.00 0.00 WAT +ATOM 42395 OH2 TIP3 12029 0.903 -26.550 19.275 1.00 0.00 WAT +ATOM 42396 H1 TIP3 12029 -0.060 -26.394 19.340 1.00 0.00 WAT +ATOM 42397 H2 TIP3 12029 1.249 -25.658 19.489 1.00 0.00 WAT +ATOM 42398 OH2 TIP3 12030 5.850 -31.729 25.581 1.00 0.00 WAT +ATOM 42399 H1 TIP3 12030 5.580 -31.990 26.478 1.00 0.00 WAT +ATOM 42400 H2 TIP3 12030 6.601 -32.322 25.415 1.00 0.00 WAT +ATOM 42401 OH2 TIP3 12031 8.031 -30.418 14.507 1.00 0.00 WAT +ATOM 42402 H1 TIP3 12031 8.447 -30.865 15.266 1.00 0.00 WAT +ATOM 42403 H2 TIP3 12031 7.099 -30.550 14.748 1.00 0.00 WAT +ATOM 42404 OH2 TIP3 12032 8.803 -27.153 27.970 1.00 0.00 WAT +ATOM 42405 H1 TIP3 12032 8.040 -27.589 27.546 1.00 0.00 WAT +ATOM 42406 H2 TIP3 12032 8.905 -26.348 27.429 1.00 0.00 WAT +ATOM 42407 OH2 TIP3 12033 12.788 -26.120 14.997 1.00 0.00 WAT +ATOM 42408 H1 TIP3 12033 13.490 -25.468 14.827 1.00 0.00 WAT +ATOM 42409 H2 TIP3 12033 12.018 -25.522 15.016 1.00 0.00 WAT +ATOM 42410 OH2 TIP3 12034 8.988 -31.801 16.899 1.00 0.00 WAT +ATOM 42411 H1 TIP3 12034 8.727 -32.528 17.489 1.00 0.00 WAT +ATOM 42412 H2 TIP3 12034 9.958 -31.822 16.975 1.00 0.00 WAT +ATOM 42413 OH2 TIP3 12035 -3.626 -27.966 25.969 1.00 0.00 WAT +ATOM 42414 H1 TIP3 12035 -3.259 -28.847 26.118 1.00 0.00 WAT +ATOM 42415 H2 TIP3 12035 -3.355 -27.507 26.773 1.00 0.00 WAT +ATOM 42416 OH2 TIP3 12036 2.272 -29.358 13.101 1.00 0.00 WAT +ATOM 42417 H1 TIP3 12036 2.547 -30.138 12.586 1.00 0.00 WAT +ATOM 42418 H2 TIP3 12036 1.840 -29.774 13.867 1.00 0.00 WAT +ATOM 42419 OH2 TIP3 12037 1.136 -29.869 15.777 1.00 0.00 WAT +ATOM 42420 H1 TIP3 12037 1.623 -30.378 16.439 1.00 0.00 WAT +ATOM 42421 H2 TIP3 12037 1.239 -28.950 16.106 1.00 0.00 WAT +ATOM 42422 OH2 TIP3 12038 -2.038 -32.412 16.215 1.00 0.00 WAT +ATOM 42423 H1 TIP3 12038 -2.782 -32.018 16.713 1.00 0.00 WAT +ATOM 42424 H2 TIP3 12038 -1.594 -31.609 15.892 1.00 0.00 WAT +ATOM 42425 OH2 TIP3 12039 5.570 -40.087 26.289 1.00 0.00 WAT +ATOM 42426 H1 TIP3 12039 6.188 -39.783 26.972 1.00 0.00 WAT +ATOM 42427 H2 TIP3 12039 5.209 -40.910 26.661 1.00 0.00 WAT +ATOM 42428 OH2 TIP3 12040 6.334 -40.567 17.453 1.00 0.00 WAT +ATOM 42429 H1 TIP3 12040 6.410 -39.990 16.677 1.00 0.00 WAT +ATOM 42430 H2 TIP3 12040 6.715 -40.007 18.150 1.00 0.00 WAT +ATOM 42431 OH2 TIP3 12041 4.076 -28.203 16.454 1.00 0.00 WAT +ATOM 42432 H1 TIP3 12041 3.221 -27.763 16.595 1.00 0.00 WAT +ATOM 42433 H2 TIP3 12041 4.374 -27.816 15.617 1.00 0.00 WAT +ATOM 42434 OH2 TIP3 12042 3.703 -38.541 18.445 1.00 0.00 WAT +ATOM 42435 H1 TIP3 12042 4.425 -37.887 18.562 1.00 0.00 WAT +ATOM 42436 H2 TIP3 12042 3.396 -38.662 19.366 1.00 0.00 WAT +ATOM 42437 OH2 TIP3 12043 3.980 -37.634 27.593 1.00 0.00 WAT +ATOM 42438 H1 TIP3 12043 4.093 -37.089 28.392 1.00 0.00 WAT +ATOM 42439 H2 TIP3 12043 4.604 -38.352 27.754 1.00 0.00 WAT +ATOM 42440 OH2 TIP3 12044 4.440 -41.716 19.493 1.00 0.00 WAT +ATOM 42441 H1 TIP3 12044 4.034 -40.942 19.922 1.00 0.00 WAT +ATOM 42442 H2 TIP3 12044 4.962 -41.292 18.786 1.00 0.00 WAT +ATOM 42443 OH2 TIP3 12045 1.270 -27.197 16.454 1.00 0.00 WAT +ATOM 42444 H1 TIP3 12045 1.154 -26.383 15.919 1.00 0.00 WAT +ATOM 42445 H2 TIP3 12045 1.080 -26.861 17.351 1.00 0.00 WAT +ATOM 42446 OH2 TIP3 12046 -0.057 -40.516 15.972 1.00 0.00 WAT +ATOM 42447 H1 TIP3 12046 -0.021 -39.672 16.455 1.00 0.00 WAT +ATOM 42448 H2 TIP3 12046 0.836 -40.862 16.168 1.00 0.00 WAT +ATOM 42449 OH2 TIP3 12047 10.370 -39.651 28.417 1.00 0.00 WAT +ATOM 42450 H1 TIP3 12047 9.414 -39.535 28.266 1.00 0.00 WAT +ATOM 42451 H2 TIP3 12047 10.658 -39.796 27.504 1.00 0.00 WAT +ATOM 42452 OH2 TIP3 12048 8.818 -35.754 22.501 1.00 0.00 WAT +ATOM 42453 H1 TIP3 12048 8.007 -36.208 22.209 1.00 0.00 WAT +ATOM 42454 H2 TIP3 12048 9.314 -36.473 22.949 1.00 0.00 WAT +ATOM 42455 OH2 TIP3 12049 -1.626 -29.634 14.963 1.00 0.00 WAT +ATOM 42456 H1 TIP3 12049 -0.918 -29.093 15.350 1.00 0.00 WAT +ATOM 42457 H2 TIP3 12049 -1.116 -30.102 14.282 1.00 0.00 WAT +ATOM 42458 OH2 TIP3 12050 -3.497 -37.457 14.092 1.00 0.00 WAT +ATOM 42459 H1 TIP3 12050 -3.353 -36.513 14.298 1.00 0.00 WAT +ATOM 42460 H2 TIP3 12050 -4.335 -37.425 13.612 1.00 0.00 WAT +ATOM 42461 OH2 TIP3 12051 9.843 -26.894 23.878 1.00 0.00 WAT +ATOM 42462 H1 TIP3 12051 9.653 -26.085 23.363 1.00 0.00 WAT +ATOM 42463 H2 TIP3 12051 10.771 -26.733 24.111 1.00 0.00 WAT +ATOM 42464 OH2 TIP3 12052 -3.337 -42.391 23.012 1.00 0.00 WAT +ATOM 42465 H1 TIP3 12052 -2.941 -42.457 22.132 1.00 0.00 WAT +ATOM 42466 H2 TIP3 12052 -3.151 -43.283 23.340 1.00 0.00 WAT +ATOM 42467 OH2 TIP3 12053 -3.722 -28.957 19.118 1.00 0.00 WAT +ATOM 42468 H1 TIP3 12053 -4.436 -28.369 19.396 1.00 0.00 WAT +ATOM 42469 H2 TIP3 12053 -3.234 -28.382 18.509 1.00 0.00 WAT +ATOM 42470 OH2 TIP3 12054 -4.248 -25.988 30.287 1.00 0.00 WAT +ATOM 42471 H1 TIP3 12054 -3.684 -26.266 31.034 1.00 0.00 WAT +ATOM 42472 H2 TIP3 12054 -4.648 -26.834 30.005 1.00 0.00 WAT +ATOM 42473 OH2 TIP3 12055 0.391 -26.951 32.085 1.00 0.00 WAT +ATOM 42474 H1 TIP3 12055 1.125 -27.554 32.277 1.00 0.00 WAT +ATOM 42475 H2 TIP3 12055 0.208 -27.176 31.157 1.00 0.00 WAT +ATOM 42476 OH2 TIP3 12056 4.486 -27.681 13.664 1.00 0.00 WAT +ATOM 42477 H1 TIP3 12056 3.725 -28.276 13.480 1.00 0.00 WAT +ATOM 42478 H2 TIP3 12056 5.191 -28.171 13.209 1.00 0.00 WAT +ATOM 42479 OH2 TIP3 12057 6.918 -28.654 30.638 1.00 0.00 WAT +ATOM 42480 H1 TIP3 12057 6.529 -29.462 31.018 1.00 0.00 WAT +ATOM 42481 H2 TIP3 12057 7.599 -28.422 31.294 1.00 0.00 WAT +ATOM 42482 OH2 TIP3 12058 9.115 -27.738 13.713 1.00 0.00 WAT +ATOM 42483 H1 TIP3 12058 9.274 -28.562 14.203 1.00 0.00 WAT +ATOM 42484 H2 TIP3 12058 9.887 -27.698 13.122 1.00 0.00 WAT +ATOM 42485 OH2 TIP3 12059 -4.310 -32.340 31.420 1.00 0.00 WAT +ATOM 42486 H1 TIP3 12059 -4.184 -33.228 31.053 1.00 0.00 WAT +ATOM 42487 H2 TIP3 12059 -5.073 -32.031 30.894 1.00 0.00 WAT +ATOM 42488 OH2 TIP3 12060 -0.090 -31.930 13.420 1.00 0.00 WAT +ATOM 42489 H1 TIP3 12060 0.090 -32.518 14.171 1.00 0.00 WAT +ATOM 42490 H2 TIP3 12060 0.767 -31.955 12.954 1.00 0.00 WAT +ATOM 42491 OH2 TIP3 12061 2.321 -32.164 30.749 1.00 0.00 WAT +ATOM 42492 H1 TIP3 12061 2.025 -31.810 29.893 1.00 0.00 WAT +ATOM 42493 H2 TIP3 12061 2.386 -33.125 30.581 1.00 0.00 WAT +ATOM 42494 OH2 TIP3 12062 5.154 -30.608 13.035 1.00 0.00 WAT +ATOM 42495 H1 TIP3 12062 5.101 -30.649 14.004 1.00 0.00 WAT +ATOM 42496 H2 TIP3 12062 5.103 -31.562 12.818 1.00 0.00 WAT +ATOM 42497 OH2 TIP3 12063 7.695 -32.533 28.132 1.00 0.00 WAT +ATOM 42498 H1 TIP3 12063 8.485 -32.008 27.932 1.00 0.00 WAT +ATOM 42499 H2 TIP3 12063 7.012 -31.843 28.117 1.00 0.00 WAT +ATOM 42500 OH2 TIP3 12064 -3.411 -35.256 30.573 1.00 0.00 WAT +ATOM 42501 H1 TIP3 12064 -2.631 -35.835 30.632 1.00 0.00 WAT +ATOM 42502 H2 TIP3 12064 -3.491 -34.979 31.501 1.00 0.00 WAT +ATOM 42503 OH2 TIP3 12065 1.009 -33.855 15.766 1.00 0.00 WAT +ATOM 42504 H1 TIP3 12065 0.391 -34.369 16.304 1.00 0.00 WAT +ATOM 42505 H2 TIP3 12065 1.309 -34.525 15.118 1.00 0.00 WAT +ATOM 42506 OH2 TIP3 12066 0.125 -36.114 27.924 1.00 0.00 WAT +ATOM 42507 H1 TIP3 12066 -0.334 -35.297 28.203 1.00 0.00 WAT +ATOM 42508 H2 TIP3 12066 0.855 -35.745 27.392 1.00 0.00 WAT +ATOM 42509 OH2 TIP3 12067 1.941 -35.839 14.015 1.00 0.00 WAT +ATOM 42510 H1 TIP3 12067 1.899 -35.745 13.044 1.00 0.00 WAT +ATOM 42511 H2 TIP3 12067 2.904 -35.866 14.163 1.00 0.00 WAT +ATOM 42512 OH2 TIP3 12068 5.511 -33.386 31.557 1.00 0.00 WAT +ATOM 42513 H1 TIP3 12068 6.418 -33.555 31.261 1.00 0.00 WAT +ATOM 42514 H2 TIP3 12068 5.288 -34.222 31.990 1.00 0.00 WAT +ATOM 42515 OH2 TIP3 12069 11.468 -33.322 13.342 1.00 0.00 WAT +ATOM 42516 H1 TIP3 12069 11.366 -33.738 12.474 1.00 0.00 WAT +ATOM 42517 H2 TIP3 12069 11.358 -32.375 13.106 1.00 0.00 WAT +ATOM 42518 OH2 TIP3 12070 0.679 -38.824 29.104 1.00 0.00 WAT +ATOM 42519 H1 TIP3 12070 0.904 -39.447 28.392 1.00 0.00 WAT +ATOM 42520 H2 TIP3 12070 0.622 -37.982 28.620 1.00 0.00 WAT +ATOM 42521 OH2 TIP3 12071 1.176 -40.355 26.550 1.00 0.00 WAT +ATOM 42522 H1 TIP3 12071 1.722 -39.811 25.941 1.00 0.00 WAT +ATOM 42523 H2 TIP3 12071 0.273 -40.225 26.202 1.00 0.00 WAT +ATOM 42524 OH2 TIP3 12072 2.670 -34.890 27.009 1.00 0.00 WAT +ATOM 42525 H1 TIP3 12072 3.518 -34.960 26.542 1.00 0.00 WAT +ATOM 42526 H2 TIP3 12072 2.369 -34.010 26.701 1.00 0.00 WAT +ATOM 42527 OH2 TIP3 12073 7.255 -36.933 31.762 1.00 0.00 WAT +ATOM 42528 H1 TIP3 12073 7.472 -37.857 31.966 1.00 0.00 WAT +ATOM 42529 H2 TIP3 12073 8.137 -36.530 31.728 1.00 0.00 WAT +ATOM 42530 OH2 TIP3 12074 8.240 -34.157 30.262 1.00 0.00 WAT +ATOM 42531 H1 TIP3 12074 7.895 -33.534 29.588 1.00 0.00 WAT +ATOM 42532 H2 TIP3 12074 9.149 -34.281 29.919 1.00 0.00 WAT +ATOM 42533 OH2 TIP3 12075 -1.042 -37.040 30.961 1.00 0.00 WAT +ATOM 42534 H1 TIP3 12075 -1.641 -37.800 30.861 1.00 0.00 WAT +ATOM 42535 H2 TIP3 12075 -0.249 -37.344 30.492 1.00 0.00 WAT +ATOM 42536 OH2 TIP3 12076 1.674 -42.764 27.741 1.00 0.00 WAT +ATOM 42537 H1 TIP3 12076 1.781 -41.850 27.407 1.00 0.00 WAT +ATOM 42538 H2 TIP3 12076 0.756 -42.916 27.484 1.00 0.00 WAT +ATOM 42539 OH2 TIP3 12077 3.145 -38.443 30.718 1.00 0.00 WAT +ATOM 42540 H1 TIP3 12077 2.869 -38.716 31.611 1.00 0.00 WAT +ATOM 42541 H2 TIP3 12077 2.330 -38.653 30.227 1.00 0.00 WAT +ATOM 42542 OH2 TIP3 12078 5.724 -39.473 29.686 1.00 0.00 WAT +ATOM 42543 H1 TIP3 12078 4.845 -39.306 30.073 1.00 0.00 WAT +ATOM 42544 H2 TIP3 12078 6.106 -40.096 30.330 1.00 0.00 WAT +ATOM 42545 OH2 TIP3 12079 7.446 -41.384 31.371 1.00 0.00 WAT +ATOM 42546 H1 TIP3 12079 7.316 -42.246 31.784 1.00 0.00 WAT +ATOM 42547 H2 TIP3 12079 7.326 -40.773 32.117 1.00 0.00 WAT +ATOM 42548 OH2 TIP3 12080 -2.708 -39.329 30.449 1.00 0.00 WAT +ATOM 42549 H1 TIP3 12080 -2.704 -40.206 30.026 1.00 0.00 WAT +ATOM 42550 H2 TIP3 12080 -2.963 -39.561 31.356 1.00 0.00 WAT +ATOM 42551 OH2 TIP3 12081 2.781 -41.455 31.808 1.00 0.00 WAT +ATOM 42552 H1 TIP3 12081 2.555 -42.287 31.353 1.00 0.00 WAT +ATOM 42553 H2 TIP3 12081 1.923 -41.005 31.892 1.00 0.00 WAT +ATOM 42554 OH2 TIP3 12082 1.698 -24.666 15.294 1.00 0.00 WAT +ATOM 42555 H1 TIP3 12082 2.645 -24.666 15.131 1.00 0.00 WAT +ATOM 42556 H2 TIP3 12082 1.353 -24.241 14.496 1.00 0.00 WAT +ATOM 42557 OH2 TIP3 12083 -4.373 -30.231 14.689 1.00 0.00 WAT +ATOM 42558 H1 TIP3 12083 -3.423 -30.002 14.780 1.00 0.00 WAT +ATOM 42559 H2 TIP3 12083 -4.343 -30.973 14.054 1.00 0.00 WAT +ATOM 42560 OH2 TIP3 12084 -5.256 -25.019 19.371 1.00 0.00 WAT +ATOM 42561 H1 TIP3 12084 -6.015 -25.340 18.854 1.00 0.00 WAT +ATOM 42562 H2 TIP3 12084 -5.208 -25.672 20.095 1.00 0.00 WAT +ATOM 42563 OH2 TIP3 12085 -4.930 -26.957 21.397 1.00 0.00 WAT +ATOM 42564 H1 TIP3 12085 -5.191 -27.807 21.783 1.00 0.00 WAT +ATOM 42565 H2 TIP3 12085 -4.648 -26.485 22.200 1.00 0.00 WAT +ATOM 42566 OH2 TIP3 12086 12.556 -25.732 24.378 1.00 0.00 WAT +ATOM 42567 H1 TIP3 12086 12.723 -25.743 25.332 1.00 0.00 WAT +ATOM 42568 H2 TIP3 12086 13.404 -25.419 24.035 1.00 0.00 WAT +ATOM 42569 OH2 TIP3 12087 12.461 -26.278 27.253 1.00 0.00 WAT +ATOM 42570 H1 TIP3 12087 11.941 -27.019 26.891 1.00 0.00 WAT +ATOM 42571 H2 TIP3 12087 13.013 -26.752 27.893 1.00 0.00 WAT +ATOM 42572 OH2 TIP3 12088 10.453 -30.862 31.558 1.00 0.00 WAT +ATOM 42573 H1 TIP3 12088 9.564 -30.765 31.941 1.00 0.00 WAT +ATOM 42574 H2 TIP3 12088 10.901 -30.048 31.842 1.00 0.00 WAT +ATOM 42575 OH2 TIP3 12089 11.852 -31.948 17.279 1.00 0.00 WAT +ATOM 42576 H1 TIP3 12089 12.758 -31.617 17.432 1.00 0.00 WAT +ATOM 42577 H2 TIP3 12089 11.776 -32.580 18.015 1.00 0.00 WAT +ATOM 42578 OH2 TIP3 12090 12.359 -33.990 19.291 1.00 0.00 WAT +ATOM 42579 H1 TIP3 12090 11.664 -34.546 19.694 1.00 0.00 WAT +ATOM 42580 H2 TIP3 12090 13.020 -33.909 20.002 1.00 0.00 WAT +ATOM 42581 OH2 TIP3 12091 12.027 -31.491 24.235 1.00 0.00 WAT +ATOM 42582 H1 TIP3 12091 12.651 -31.991 23.684 1.00 0.00 WAT +ATOM 42583 H2 TIP3 12091 12.169 -30.581 23.924 1.00 0.00 WAT +ATOM 42584 OH2 TIP3 12092 10.754 -28.581 26.482 1.00 0.00 WAT +ATOM 42585 H1 TIP3 12092 10.020 -28.162 26.966 1.00 0.00 WAT +ATOM 42586 H2 TIP3 12092 10.301 -28.928 25.688 1.00 0.00 WAT +ATOM 42587 OH2 TIP3 12093 12.554 -34.551 15.838 1.00 0.00 WAT +ATOM 42588 H1 TIP3 12093 12.058 -34.257 15.050 1.00 0.00 WAT +ATOM 42589 H2 TIP3 12093 12.443 -33.785 16.422 1.00 0.00 WAT +ATOM 42590 OH2 TIP3 12094 10.833 -36.987 14.088 1.00 0.00 WAT +ATOM 42591 H1 TIP3 12094 11.107 -36.380 13.386 1.00 0.00 WAT +ATOM 42592 H2 TIP3 12094 10.593 -37.790 13.592 1.00 0.00 WAT +ATOM 42593 OH2 TIP3 12095 10.239 -35.829 20.063 1.00 0.00 WAT +ATOM 42594 H1 TIP3 12095 10.183 -36.782 19.882 1.00 0.00 WAT +ATOM 42595 H2 TIP3 12095 9.872 -35.758 20.966 1.00 0.00 WAT +ATOM 42596 OH2 TIP3 12096 -4.901 -33.697 23.762 1.00 0.00 WAT +ATOM 42597 H1 TIP3 12096 -4.671 -33.582 22.824 1.00 0.00 WAT +ATOM 42598 H2 TIP3 12096 -4.013 -33.851 24.141 1.00 0.00 WAT +ATOM 42599 OH2 TIP3 12097 10.860 -33.937 29.261 1.00 0.00 WAT +ATOM 42600 H1 TIP3 12097 11.623 -34.535 29.360 1.00 0.00 WAT +ATOM 42601 H2 TIP3 12097 11.284 -33.107 29.003 1.00 0.00 WAT +ATOM 42602 OH2 TIP3 12098 12.423 -35.887 30.480 1.00 0.00 WAT +ATOM 42603 H1 TIP3 12098 11.625 -36.384 30.205 1.00 0.00 WAT +ATOM 42604 H2 TIP3 12098 13.121 -36.558 30.370 1.00 0.00 WAT +ATOM 42605 OH2 TIP3 12099 10.252 -39.685 13.258 1.00 0.00 WAT +ATOM 42606 H1 TIP3 12099 10.859 -40.119 13.885 1.00 0.00 WAT +ATOM 42607 H2 TIP3 12099 9.439 -40.196 13.357 1.00 0.00 WAT +ATOM 42608 OH2 TIP3 12100 10.077 -38.270 18.275 1.00 0.00 WAT +ATOM 42609 H1 TIP3 12100 10.252 -39.240 18.321 1.00 0.00 WAT +ATOM 42610 H2 TIP3 12100 10.893 -37.968 17.837 1.00 0.00 WAT +ATOM 42611 OH2 TIP3 12101 10.345 -37.775 23.661 1.00 0.00 WAT +ATOM 42612 H1 TIP3 12101 11.317 -37.649 23.597 1.00 0.00 WAT +ATOM 42613 H2 TIP3 12101 10.238 -37.739 24.626 1.00 0.00 WAT +ATOM 42614 OH2 TIP3 12102 10.487 -37.055 26.525 1.00 0.00 WAT +ATOM 42615 H1 TIP3 12102 9.651 -36.616 26.769 1.00 0.00 WAT +ATOM 42616 H2 TIP3 12102 11.050 -36.291 26.290 1.00 0.00 WAT +ATOM 42617 OH2 TIP3 12103 12.680 -42.766 32.303 1.00 0.00 WAT +ATOM 42618 H1 TIP3 12103 13.102 -43.595 32.058 1.00 0.00 WAT +ATOM 42619 H2 TIP3 12103 12.661 -42.201 31.496 1.00 0.00 WAT +ATOM 42620 OH2 TIP3 12104 10.372 -40.984 18.349 1.00 0.00 WAT +ATOM 42621 H1 TIP3 12104 10.665 -41.492 19.121 1.00 0.00 WAT +ATOM 42622 H2 TIP3 12104 9.766 -41.617 17.921 1.00 0.00 WAT +ATOM 42623 OH2 TIP3 12105 -4.342 -39.902 23.064 1.00 0.00 WAT +ATOM 42624 H1 TIP3 12105 -4.023 -40.834 23.081 1.00 0.00 WAT +ATOM 42625 H2 TIP3 12105 -3.530 -39.420 23.308 1.00 0.00 WAT +ATOM 42626 OH2 TIP3 12106 -5.608 -37.334 24.179 1.00 0.00 WAT +ATOM 42627 H1 TIP3 12106 -5.112 -37.402 23.346 1.00 0.00 WAT +ATOM 42628 H2 TIP3 12106 -5.318 -36.463 24.484 1.00 0.00 WAT +ATOM 42629 OH2 TIP3 12107 12.417 -41.134 30.148 1.00 0.00 WAT +ATOM 42630 H1 TIP3 12107 11.577 -40.641 30.211 1.00 0.00 WAT +ATOM 42631 H2 TIP3 12107 12.367 -41.423 29.222 1.00 0.00 WAT +ATOM 42632 OH2 TIP3 12108 12.501 -40.566 14.923 1.00 0.00 WAT +ATOM 42633 H1 TIP3 12108 12.700 -41.427 14.501 1.00 0.00 WAT +ATOM 42634 H2 TIP3 12108 13.371 -40.145 14.984 1.00 0.00 WAT +ATOM 42635 OH2 TIP3 12109 -5.150 -41.011 18.066 1.00 0.00 WAT +ATOM 42636 H1 TIP3 12109 -6.097 -40.934 17.859 1.00 0.00 WAT +ATOM 42637 H2 TIP3 12109 -4.752 -40.331 17.481 1.00 0.00 WAT +ATOM 42638 OH2 TIP3 12110 9.434 -25.682 20.176 1.00 0.00 WAT +ATOM 42639 H1 TIP3 12110 9.912 -25.925 19.365 1.00 0.00 WAT +ATOM 42640 H2 TIP3 12110 10.137 -25.301 20.716 1.00 0.00 WAT +ATOM 42641 OH2 TIP3 12111 -5.322 -41.206 26.672 1.00 0.00 WAT +ATOM 42642 H1 TIP3 12111 -5.218 -42.162 26.890 1.00 0.00 WAT +ATOM 42643 H2 TIP3 12111 -5.523 -41.283 25.722 1.00 0.00 WAT +ATOM 42644 OH2 TIP3 12112 -3.167 -29.065 30.906 1.00 0.00 WAT +ATOM 42645 H1 TIP3 12112 -3.885 -28.966 30.262 1.00 0.00 WAT +ATOM 42646 H2 TIP3 12112 -3.622 -28.949 31.749 1.00 0.00 WAT +ATOM 42647 OH2 TIP3 12113 -0.304 -27.989 26.588 1.00 0.00 WAT +ATOM 42648 H1 TIP3 12113 -0.617 -27.137 26.236 1.00 0.00 WAT +ATOM 42649 H2 TIP3 12113 0.653 -27.894 26.404 1.00 0.00 WAT +ATOM 42650 OH2 TIP3 12114 4.202 -26.695 29.580 1.00 0.00 WAT +ATOM 42651 H1 TIP3 12114 4.348 -26.836 30.529 1.00 0.00 WAT +ATOM 42652 H2 TIP3 12114 5.020 -26.223 29.322 1.00 0.00 WAT +ATOM 42653 OH2 TIP3 12115 6.480 -25.228 28.825 1.00 0.00 WAT +ATOM 42654 H1 TIP3 12115 7.173 -25.868 28.606 1.00 0.00 WAT +ATOM 42655 H2 TIP3 12115 6.784 -24.909 29.698 1.00 0.00 WAT +ATOM 42656 OH2 TIP3 12116 11.111 -42.757 27.936 1.00 0.00 WAT +ATOM 42657 H1 TIP3 12116 10.559 -42.171 27.387 1.00 0.00 WAT +ATOM 42658 H2 TIP3 12116 11.244 -43.505 27.329 1.00 0.00 WAT +ATOM 42659 OH2 TIP3 12117 -2.950 -25.058 26.944 1.00 0.00 WAT +ATOM 42660 H1 TIP3 12117 -3.492 -24.415 26.447 1.00 0.00 WAT +ATOM 42661 H2 TIP3 12117 -3.329 -24.945 27.823 1.00 0.00 WAT +ATOM 42662 OH2 TIP3 12118 -0.389 -25.262 25.504 1.00 0.00 WAT +ATOM 42663 H1 TIP3 12118 -1.250 -25.054 25.915 1.00 0.00 WAT +ATOM 42664 H2 TIP3 12118 -0.386 -24.648 24.740 1.00 0.00 WAT +ATOM 42665 OH2 TIP3 12119 4.299 -25.251 25.002 1.00 0.00 WAT +ATOM 42666 H1 TIP3 12119 3.873 -24.809 24.243 1.00 0.00 WAT +ATOM 42667 H2 TIP3 12119 4.375 -24.507 25.629 1.00 0.00 WAT +ATOM 42668 OH2 TIP3 12120 6.623 -26.542 25.936 1.00 0.00 WAT +ATOM 42669 H1 TIP3 12120 5.782 -26.180 25.596 1.00 0.00 WAT +ATOM 42670 H2 TIP3 12120 7.187 -25.756 25.913 1.00 0.00 WAT +ATOM 42671 OH2 TIP3 12121 9.179 -24.815 26.126 1.00 0.00 WAT +ATOM 42672 H1 TIP3 12121 9.114 -23.863 25.913 1.00 0.00 WAT +ATOM 42673 H2 TIP3 12121 9.445 -25.171 25.261 1.00 0.00 WAT +ATOM 42674 OH2 TIP3 12122 -3.362 -25.908 23.728 1.00 0.00 WAT +ATOM 42675 H1 TIP3 12122 -3.303 -26.384 24.571 1.00 0.00 WAT +ATOM 42676 H2 TIP3 12122 -2.580 -26.238 23.252 1.00 0.00 WAT +ATOM 42677 OH2 TIP3 12123 -1.379 -27.455 22.290 1.00 0.00 WAT +ATOM 42678 H1 TIP3 12123 -1.540 -28.375 22.578 1.00 0.00 WAT +ATOM 42679 H2 TIP3 12123 -0.465 -27.302 22.593 1.00 0.00 WAT +ATOM 42680 OH2 TIP3 12124 1.415 -26.992 23.167 1.00 0.00 WAT +ATOM 42681 H1 TIP3 12124 1.605 -27.917 22.943 1.00 0.00 WAT +ATOM 42682 H2 TIP3 12124 1.463 -27.021 24.134 1.00 0.00 WAT +ATOM 42683 OH2 TIP3 12125 4.749 -41.132 22.522 1.00 0.00 WAT +ATOM 42684 H1 TIP3 12125 4.102 -41.824 22.742 1.00 0.00 WAT +ATOM 42685 H2 TIP3 12125 5.274 -41.550 21.825 1.00 0.00 WAT +ATOM 42686 OH2 TIP3 12126 9.811 -43.303 22.920 1.00 0.00 WAT +ATOM 42687 H1 TIP3 12126 10.549 -42.973 22.378 1.00 0.00 WAT +ATOM 42688 H2 TIP3 12126 9.048 -42.955 22.438 1.00 0.00 WAT +ATOM 42689 OH2 TIP3 12127 11.902 -42.232 20.725 1.00 0.00 WAT +ATOM 42690 H1 TIP3 12127 12.525 -42.475 20.035 1.00 0.00 WAT +ATOM 42691 H2 TIP3 12127 12.164 -41.299 20.886 1.00 0.00 WAT +ATOM 42692 OH2 TIP3 12128 -2.935 -42.824 19.810 1.00 0.00 WAT +ATOM 42693 H1 TIP3 12128 -3.846 -43.022 19.565 1.00 0.00 WAT +ATOM 42694 H2 TIP3 12128 -2.607 -43.674 20.117 1.00 0.00 WAT +ATOM 42695 OH2 TIP3 12129 -4.349 -42.909 16.035 1.00 0.00 WAT +ATOM 42696 H1 TIP3 12129 -3.886 -42.442 15.313 1.00 0.00 WAT +ATOM 42697 H2 TIP3 12129 -4.720 -42.159 16.531 1.00 0.00 WAT +ATOM 42698 OH2 TIP3 12130 1.576 -42.218 20.164 1.00 0.00 WAT +ATOM 42699 H1 TIP3 12130 2.458 -42.370 19.794 1.00 0.00 WAT +ATOM 42700 H2 TIP3 12130 1.381 -43.029 20.636 1.00 0.00 WAT +ATOM 42701 OH2 TIP3 12131 7.197 -42.704 21.444 1.00 0.00 WAT +ATOM 42702 H1 TIP3 12131 7.466 -42.510 20.536 1.00 0.00 WAT +ATOM 42703 H2 TIP3 12131 6.997 -43.650 21.417 1.00 0.00 WAT +ATOM 42704 OH2 TIP3 12132 8.175 -42.729 17.454 1.00 0.00 WAT +ATOM 42705 H1 TIP3 12132 7.457 -42.131 17.169 1.00 0.00 WAT +ATOM 42706 H2 TIP3 12132 7.814 -43.605 17.280 1.00 0.00 WAT +ATOM 42707 OH2 TIP3 12133 -3.932 -26.967 17.065 1.00 0.00 WAT +ATOM 42708 H1 TIP3 12133 -4.561 -27.029 16.330 1.00 0.00 WAT +ATOM 42709 H2 TIP3 12133 -3.904 -26.006 17.186 1.00 0.00 WAT +ATOM 42710 OH2 TIP3 12134 -2.437 -41.290 14.484 1.00 0.00 WAT +ATOM 42711 H1 TIP3 12134 -1.738 -41.598 13.880 1.00 0.00 WAT +ATOM 42712 H2 TIP3 12134 -1.912 -40.743 15.098 1.00 0.00 WAT +ATOM 42713 OH2 TIP3 12135 2.782 -40.612 16.759 1.00 0.00 WAT +ATOM 42714 H1 TIP3 12135 2.872 -41.431 17.280 1.00 0.00 WAT +ATOM 42715 H2 TIP3 12135 3.005 -39.909 17.401 1.00 0.00 WAT +ATOM 42716 OH2 TIP3 12136 4.862 -25.005 15.036 1.00 0.00 WAT +ATOM 42717 H1 TIP3 12136 5.807 -25.259 15.150 1.00 0.00 WAT +ATOM 42718 H2 TIP3 12136 4.571 -25.779 14.517 1.00 0.00 WAT +ATOM 42719 OH2 TIP3 12137 11.275 -26.103 17.761 1.00 0.00 WAT +ATOM 42720 H1 TIP3 12137 11.039 -26.944 17.320 1.00 0.00 WAT +ATOM 42721 H2 TIP3 12137 11.227 -25.481 17.016 1.00 0.00 WAT +ATOM 42722 OH2 TIP3 12138 -3.380 -41.769 29.182 1.00 0.00 WAT +ATOM 42723 H1 TIP3 12138 -3.737 -42.562 29.610 1.00 0.00 WAT +ATOM 42724 H2 TIP3 12138 -2.502 -42.111 28.963 1.00 0.00 WAT +ATOM 42725 OH2 TIP3 12139 -0.377 -42.799 31.872 1.00 0.00 WAT +ATOM 42726 H1 TIP3 12139 0.498 -43.059 31.506 1.00 0.00 WAT +ATOM 42727 H2 TIP3 12139 -0.582 -43.562 32.425 1.00 0.00 WAT +ATOM 42728 OH2 TIP3 12140 -2.524 -26.092 13.874 1.00 0.00 WAT +ATOM 42729 H1 TIP3 12140 -2.738 -25.683 14.727 1.00 0.00 WAT +ATOM 42730 H2 TIP3 12140 -1.695 -26.557 14.063 1.00 0.00 WAT +ATOM 42731 OH2 TIP3 12141 10.765 -27.343 30.161 1.00 0.00 WAT +ATOM 42732 H1 TIP3 12141 10.031 -27.532 29.549 1.00 0.00 WAT +ATOM 42733 H2 TIP3 12141 10.593 -26.403 30.362 1.00 0.00 WAT +ATOM 42734 OH2 TIP3 12142 24.967 -33.662 20.306 1.00 0.00 WAT +ATOM 42735 H1 TIP3 12142 24.956 -32.694 20.391 1.00 0.00 WAT +ATOM 42736 H2 TIP3 12142 24.199 -33.809 19.735 1.00 0.00 WAT +ATOM 42737 OH2 TIP3 12143 23.874 -34.255 23.386 1.00 0.00 WAT +ATOM 42738 H1 TIP3 12143 23.757 -34.901 24.088 1.00 0.00 WAT +ATOM 42739 H2 TIP3 12143 23.553 -34.764 22.626 1.00 0.00 WAT +ATOM 42740 OH2 TIP3 12144 16.204 -34.573 25.107 1.00 0.00 WAT +ATOM 42741 H1 TIP3 12144 16.290 -35.447 25.540 1.00 0.00 WAT +ATOM 42742 H2 TIP3 12144 17.035 -34.160 25.376 1.00 0.00 WAT +ATOM 42743 OH2 TIP3 12145 27.515 -31.479 21.689 1.00 0.00 WAT +ATOM 42744 H1 TIP3 12145 27.122 -32.184 22.219 1.00 0.00 WAT +ATOM 42745 H2 TIP3 12145 27.782 -30.852 22.376 1.00 0.00 WAT +ATOM 42746 OH2 TIP3 12146 16.954 -30.017 23.547 1.00 0.00 WAT +ATOM 42747 H1 TIP3 12146 16.731 -30.940 23.303 1.00 0.00 WAT +ATOM 42748 H2 TIP3 12146 17.893 -30.131 23.756 1.00 0.00 WAT +ATOM 42749 OH2 TIP3 12147 13.869 -36.637 18.919 1.00 0.00 WAT +ATOM 42750 H1 TIP3 12147 13.522 -35.736 19.013 1.00 0.00 WAT +ATOM 42751 H2 TIP3 12147 13.153 -37.074 18.442 1.00 0.00 WAT +ATOM 42752 OH2 TIP3 12148 14.833 -34.320 20.956 1.00 0.00 WAT +ATOM 42753 H1 TIP3 12148 15.017 -35.159 21.414 1.00 0.00 WAT +ATOM 42754 H2 TIP3 12148 15.614 -34.232 20.394 1.00 0.00 WAT +ATOM 42755 OH2 TIP3 12149 24.564 -26.123 22.250 1.00 0.00 WAT +ATOM 42756 H1 TIP3 12149 25.149 -26.839 21.936 1.00 0.00 WAT +ATOM 42757 H2 TIP3 12149 24.285 -26.458 23.112 1.00 0.00 WAT +ATOM 42758 OH2 TIP3 12150 22.322 -31.707 23.967 1.00 0.00 WAT +ATOM 42759 H1 TIP3 12150 22.628 -32.400 23.360 1.00 0.00 WAT +ATOM 42760 H2 TIP3 12150 23.149 -31.558 24.464 1.00 0.00 WAT +ATOM 42761 OH2 TIP3 12151 30.859 -40.172 24.492 1.00 0.00 WAT +ATOM 42762 H1 TIP3 12151 31.208 -39.721 25.274 1.00 0.00 WAT +ATOM 42763 H2 TIP3 12151 31.509 -39.892 23.821 1.00 0.00 WAT +ATOM 42764 OH2 TIP3 12152 25.587 -37.408 24.454 1.00 0.00 WAT +ATOM 42765 H1 TIP3 12152 25.771 -38.363 24.431 1.00 0.00 WAT +ATOM 42766 H2 TIP3 12152 25.487 -37.218 23.506 1.00 0.00 WAT +ATOM 42767 OH2 TIP3 12153 26.456 -39.216 19.885 1.00 0.00 WAT +ATOM 42768 H1 TIP3 12153 27.078 -39.647 20.506 1.00 0.00 WAT +ATOM 42769 H2 TIP3 12153 27.072 -38.773 19.282 1.00 0.00 WAT +ATOM 42770 OH2 TIP3 12154 15.609 -36.908 22.281 1.00 0.00 WAT +ATOM 42771 H1 TIP3 12154 16.366 -37.306 22.744 1.00 0.00 WAT +ATOM 42772 H2 TIP3 12154 15.690 -37.337 21.409 1.00 0.00 WAT +ATOM 42773 OH2 TIP3 12155 20.590 -35.233 21.506 1.00 0.00 WAT +ATOM 42774 H1 TIP3 12155 21.275 -35.792 21.912 1.00 0.00 WAT +ATOM 42775 H2 TIP3 12155 20.084 -35.899 20.989 1.00 0.00 WAT +ATOM 42776 OH2 TIP3 12156 31.792 -38.418 27.244 1.00 0.00 WAT +ATOM 42777 H1 TIP3 12156 31.047 -37.961 26.819 1.00 0.00 WAT +ATOM 42778 H2 TIP3 12156 31.331 -38.986 27.874 1.00 0.00 WAT +ATOM 42779 OH2 TIP3 12157 24.888 -30.803 19.078 1.00 0.00 WAT +ATOM 42780 H1 TIP3 12157 24.548 -31.052 18.214 1.00 0.00 WAT +ATOM 42781 H2 TIP3 12157 24.413 -29.971 19.257 1.00 0.00 WAT +ATOM 42782 OH2 TIP3 12158 20.323 -32.722 25.830 1.00 0.00 WAT +ATOM 42783 H1 TIP3 12158 19.566 -32.136 26.044 1.00 0.00 WAT +ATOM 42784 H2 TIP3 12158 20.909 -32.121 25.334 1.00 0.00 WAT +ATOM 42785 OH2 TIP3 12159 28.354 -40.145 21.903 1.00 0.00 WAT +ATOM 42786 H1 TIP3 12159 27.846 -40.611 22.579 1.00 0.00 WAT +ATOM 42787 H2 TIP3 12159 28.849 -39.501 22.437 1.00 0.00 WAT +ATOM 42788 OH2 TIP3 12160 18.309 -30.824 26.545 1.00 0.00 WAT +ATOM 42789 H1 TIP3 12160 18.266 -29.904 26.224 1.00 0.00 WAT +ATOM 42790 H2 TIP3 12160 17.432 -30.893 26.969 1.00 0.00 WAT +ATOM 42791 OH2 TIP3 12161 14.600 -31.116 17.419 1.00 0.00 WAT +ATOM 42792 H1 TIP3 12161 14.426 -30.625 16.597 1.00 0.00 WAT +ATOM 42793 H2 TIP3 12161 14.778 -30.408 18.073 1.00 0.00 WAT +ATOM 42794 OH2 TIP3 12162 28.063 -29.676 24.170 1.00 0.00 WAT +ATOM 42795 H1 TIP3 12162 27.097 -29.547 24.200 1.00 0.00 WAT +ATOM 42796 H2 TIP3 12162 28.347 -28.808 23.827 1.00 0.00 WAT +ATOM 42797 OH2 TIP3 12163 28.486 -41.069 25.935 1.00 0.00 WAT +ATOM 42798 H1 TIP3 12163 27.678 -40.779 25.479 1.00 0.00 WAT +ATOM 42799 H2 TIP3 12163 29.145 -40.970 25.221 1.00 0.00 WAT +ATOM 42800 OH2 TIP3 12164 21.366 -43.058 23.168 1.00 0.00 WAT +ATOM 42801 H1 TIP3 12164 21.333 -44.003 22.978 1.00 0.00 WAT +ATOM 42802 H2 TIP3 12164 20.443 -42.774 23.178 1.00 0.00 WAT +ATOM 42803 OH2 TIP3 12165 26.377 -27.751 20.777 1.00 0.00 WAT +ATOM 42804 H1 TIP3 12165 26.858 -28.533 20.442 1.00 0.00 WAT +ATOM 42805 H2 TIP3 12165 27.030 -27.043 20.631 1.00 0.00 WAT +ATOM 42806 OH2 TIP3 12166 27.830 -29.883 19.360 1.00 0.00 WAT +ATOM 42807 H1 TIP3 12166 27.282 -30.328 18.697 1.00 0.00 WAT +ATOM 42808 H2 TIP3 12166 27.766 -30.512 20.105 1.00 0.00 WAT +ATOM 42809 OH2 TIP3 12167 29.251 -31.089 27.853 1.00 0.00 WAT +ATOM 42810 H1 TIP3 12167 29.209 -31.667 27.070 1.00 0.00 WAT +ATOM 42811 H2 TIP3 12167 29.403 -30.215 27.441 1.00 0.00 WAT +ATOM 42812 OH2 TIP3 12168 23.620 -34.146 17.569 1.00 0.00 WAT +ATOM 42813 H1 TIP3 12168 22.947 -33.549 17.189 1.00 0.00 WAT +ATOM 42814 H2 TIP3 12168 24.323 -34.102 16.901 1.00 0.00 WAT +ATOM 42815 OH2 TIP3 12169 23.901 -35.951 14.611 1.00 0.00 WAT +ATOM 42816 H1 TIP3 12169 24.600 -35.646 15.217 1.00 0.00 WAT +ATOM 42817 H2 TIP3 12169 24.408 -36.534 14.028 1.00 0.00 WAT +ATOM 42818 OH2 TIP3 12170 31.086 -34.885 25.793 1.00 0.00 WAT +ATOM 42819 H1 TIP3 12170 30.378 -34.211 25.822 1.00 0.00 WAT +ATOM 42820 H2 TIP3 12170 31.600 -34.569 25.023 1.00 0.00 WAT +ATOM 42821 OH2 TIP3 12171 27.130 -34.142 18.634 1.00 0.00 WAT +ATOM 42822 H1 TIP3 12171 26.439 -33.924 19.301 1.00 0.00 WAT +ATOM 42823 H2 TIP3 12171 27.721 -34.708 19.160 1.00 0.00 WAT +ATOM 42824 OH2 TIP3 12172 27.041 -35.295 28.112 1.00 0.00 WAT +ATOM 42825 H1 TIP3 12172 26.912 -34.322 28.207 1.00 0.00 WAT +ATOM 42826 H2 TIP3 12172 26.422 -35.414 27.361 1.00 0.00 WAT +ATOM 42827 OH2 TIP3 12173 18.718 -33.393 20.414 1.00 0.00 WAT +ATOM 42828 H1 TIP3 12173 18.399 -33.834 19.600 1.00 0.00 WAT +ATOM 42829 H2 TIP3 12173 19.374 -34.038 20.739 1.00 0.00 WAT +ATOM 42830 OH2 TIP3 12174 20.097 -29.963 23.151 1.00 0.00 WAT +ATOM 42831 H1 TIP3 12174 19.973 -30.368 22.281 1.00 0.00 WAT +ATOM 42832 H2 TIP3 12174 20.890 -30.430 23.476 1.00 0.00 WAT +ATOM 42833 OH2 TIP3 12175 19.330 -34.869 24.109 1.00 0.00 WAT +ATOM 42834 H1 TIP3 12175 19.755 -34.807 23.236 1.00 0.00 WAT +ATOM 42835 H2 TIP3 12175 19.634 -34.078 24.575 1.00 0.00 WAT +ATOM 42836 OH2 TIP3 12176 25.234 -29.035 24.487 1.00 0.00 WAT +ATOM 42837 H1 TIP3 12176 25.299 -28.353 25.177 1.00 0.00 WAT +ATOM 42838 H2 TIP3 12176 25.045 -29.848 24.984 1.00 0.00 WAT +ATOM 42839 OH2 TIP3 12177 20.145 -30.270 28.764 1.00 0.00 WAT +ATOM 42840 H1 TIP3 12177 19.628 -29.572 29.208 1.00 0.00 WAT +ATOM 42841 H2 TIP3 12177 19.529 -30.529 28.050 1.00 0.00 WAT +ATOM 42842 OH2 TIP3 12178 26.095 -34.721 16.094 1.00 0.00 WAT +ATOM 42843 H1 TIP3 12178 26.556 -34.427 16.908 1.00 0.00 WAT +ATOM 42844 H2 TIP3 12178 26.581 -34.199 15.408 1.00 0.00 WAT +ATOM 42845 OH2 TIP3 12179 17.170 -33.891 27.918 1.00 0.00 WAT +ATOM 42846 H1 TIP3 12179 17.118 -33.291 28.684 1.00 0.00 WAT +ATOM 42847 H2 TIP3 12179 16.233 -33.996 27.684 1.00 0.00 WAT +ATOM 42848 OH2 TIP3 12180 23.552 -28.098 19.656 1.00 0.00 WAT +ATOM 42849 H1 TIP3 12180 23.996 -27.792 20.455 1.00 0.00 WAT +ATOM 42850 H2 TIP3 12180 23.046 -27.320 19.375 1.00 0.00 WAT +ATOM 42851 OH2 TIP3 12181 18.265 -28.078 29.549 1.00 0.00 WAT +ATOM 42852 H1 TIP3 12181 18.149 -28.015 28.584 1.00 0.00 WAT +ATOM 42853 H2 TIP3 12181 17.377 -28.331 29.862 1.00 0.00 WAT +ATOM 42854 OH2 TIP3 12182 29.297 -43.246 15.322 1.00 0.00 WAT +ATOM 42855 H1 TIP3 12182 28.824 -43.225 16.167 1.00 0.00 WAT +ATOM 42856 H2 TIP3 12182 30.052 -42.677 15.532 1.00 0.00 WAT +ATOM 42857 OH2 TIP3 12183 17.662 -34.616 17.969 1.00 0.00 WAT +ATOM 42858 H1 TIP3 12183 17.424 -33.895 17.363 1.00 0.00 WAT +ATOM 42859 H2 TIP3 12183 17.047 -35.317 17.715 1.00 0.00 WAT +ATOM 42860 OH2 TIP3 12184 30.901 -28.825 14.117 1.00 0.00 WAT +ATOM 42861 H1 TIP3 12184 31.053 -27.892 14.363 1.00 0.00 WAT +ATOM 42862 H2 TIP3 12184 31.766 -29.229 14.323 1.00 0.00 WAT +ATOM 42863 OH2 TIP3 12185 13.703 -31.953 26.674 1.00 0.00 WAT +ATOM 42864 H1 TIP3 12185 13.281 -31.963 25.792 1.00 0.00 WAT +ATOM 42865 H2 TIP3 12185 13.848 -32.904 26.838 1.00 0.00 WAT +ATOM 42866 OH2 TIP3 12186 13.759 -29.029 23.595 1.00 0.00 WAT +ATOM 42867 H1 TIP3 12186 14.679 -29.328 23.648 1.00 0.00 WAT +ATOM 42868 H2 TIP3 12186 13.708 -28.429 24.353 1.00 0.00 WAT +ATOM 42869 OH2 TIP3 12187 31.999 -28.583 29.362 1.00 0.00 WAT +ATOM 42870 H1 TIP3 12187 31.843 -29.536 29.273 1.00 0.00 WAT +ATOM 42871 H2 TIP3 12187 31.122 -28.260 29.638 1.00 0.00 WAT +ATOM 42872 OH2 TIP3 12188 22.794 -29.207 28.172 1.00 0.00 WAT +ATOM 42873 H1 TIP3 12188 22.880 -28.376 28.683 1.00 0.00 WAT +ATOM 42874 H2 TIP3 12188 21.884 -29.481 28.396 1.00 0.00 WAT +ATOM 42875 OH2 TIP3 12189 23.085 -25.379 18.148 1.00 0.00 WAT +ATOM 42876 H1 TIP3 12189 23.073 -25.298 17.178 1.00 0.00 WAT +ATOM 42877 H2 TIP3 12189 23.134 -24.457 18.442 1.00 0.00 WAT +ATOM 42878 OH2 TIP3 12190 16.889 -26.239 19.770 1.00 0.00 WAT +ATOM 42879 H1 TIP3 12190 17.027 -26.698 20.623 1.00 0.00 WAT +ATOM 42880 H2 TIP3 12190 16.057 -26.635 19.474 1.00 0.00 WAT +ATOM 42881 OH2 TIP3 12191 26.397 -25.951 15.330 1.00 0.00 WAT +ATOM 42882 H1 TIP3 12191 26.953 -26.617 14.881 1.00 0.00 WAT +ATOM 42883 H2 TIP3 12191 26.321 -26.335 16.227 1.00 0.00 WAT +ATOM 42884 OH2 TIP3 12192 25.774 -26.533 18.136 1.00 0.00 WAT +ATOM 42885 H1 TIP3 12192 24.817 -26.397 18.260 1.00 0.00 WAT +ATOM 42886 H2 TIP3 12192 25.921 -27.262 18.763 1.00 0.00 WAT +ATOM 42887 OH2 TIP3 12193 15.888 -30.406 27.924 1.00 0.00 WAT +ATOM 42888 H1 TIP3 12193 16.172 -30.894 28.723 1.00 0.00 WAT +ATOM 42889 H2 TIP3 12193 15.156 -30.950 27.581 1.00 0.00 WAT +ATOM 42890 OH2 TIP3 12194 23.692 -42.606 27.435 1.00 0.00 WAT +ATOM 42891 H1 TIP3 12194 23.826 -43.125 28.234 1.00 0.00 WAT +ATOM 42892 H2 TIP3 12194 22.753 -42.765 27.263 1.00 0.00 WAT +ATOM 42893 OH2 TIP3 12195 26.622 -38.636 27.845 1.00 0.00 WAT +ATOM 42894 H1 TIP3 12195 26.027 -38.795 28.600 1.00 0.00 WAT +ATOM 42895 H2 TIP3 12195 26.549 -37.684 27.699 1.00 0.00 WAT +ATOM 42896 OH2 TIP3 12196 27.636 -33.624 14.097 1.00 0.00 WAT +ATOM 42897 H1 TIP3 12196 27.426 -33.792 13.158 1.00 0.00 WAT +ATOM 42898 H2 TIP3 12196 28.573 -33.370 14.035 1.00 0.00 WAT +ATOM 42899 OH2 TIP3 12197 23.295 -39.938 14.545 1.00 0.00 WAT +ATOM 42900 H1 TIP3 12197 22.754 -40.043 15.356 1.00 0.00 WAT +ATOM 42901 H2 TIP3 12197 22.789 -40.538 13.954 1.00 0.00 WAT +ATOM 42902 OH2 TIP3 12198 18.969 -36.970 19.950 1.00 0.00 WAT +ATOM 42903 H1 TIP3 12198 18.082 -37.346 20.079 1.00 0.00 WAT +ATOM 42904 H2 TIP3 12198 19.235 -37.413 19.127 1.00 0.00 WAT +ATOM 42905 OH2 TIP3 12199 24.501 -36.514 18.754 1.00 0.00 WAT +ATOM 42906 H1 TIP3 12199 24.089 -35.688 18.418 1.00 0.00 WAT +ATOM 42907 H2 TIP3 12199 25.155 -36.688 18.058 1.00 0.00 WAT +ATOM 42908 OH2 TIP3 12200 23.688 -36.268 30.329 1.00 0.00 WAT +ATOM 42909 H1 TIP3 12200 23.109 -37.058 30.417 1.00 0.00 WAT +ATOM 42910 H2 TIP3 12200 24.572 -36.646 30.424 1.00 0.00 WAT +ATOM 42911 OH2 TIP3 12201 25.406 -37.108 21.520 1.00 0.00 WAT +ATOM 42912 H1 TIP3 12201 25.068 -36.532 20.805 1.00 0.00 WAT +ATOM 42913 H2 TIP3 12201 25.584 -37.918 21.001 1.00 0.00 WAT +ATOM 42914 OH2 TIP3 12202 16.181 -36.910 26.871 1.00 0.00 WAT +ATOM 42915 H1 TIP3 12202 16.677 -36.757 27.678 1.00 0.00 WAT +ATOM 42916 H2 TIP3 12202 16.108 -37.883 26.875 1.00 0.00 WAT +ATOM 42917 OH2 TIP3 12203 19.660 -39.448 13.536 1.00 0.00 WAT +ATOM 42918 H1 TIP3 12203 19.306 -39.810 14.369 1.00 0.00 WAT +ATOM 42919 H2 TIP3 12203 18.866 -39.285 13.014 1.00 0.00 WAT +ATOM 42920 OH2 TIP3 12204 13.119 -39.714 20.670 1.00 0.00 WAT +ATOM 42921 H1 TIP3 12204 13.761 -39.520 21.376 1.00 0.00 WAT +ATOM 42922 H2 TIP3 12204 13.692 -39.873 19.910 1.00 0.00 WAT +ATOM 42923 OH2 TIP3 12205 14.688 -39.119 16.261 1.00 0.00 WAT +ATOM 42924 H1 TIP3 12205 15.260 -38.615 15.649 1.00 0.00 WAT +ATOM 42925 H2 TIP3 12205 14.003 -38.453 16.456 1.00 0.00 WAT +ATOM 42926 OH2 TIP3 12206 24.855 -35.499 26.288 1.00 0.00 WAT +ATOM 42927 H1 TIP3 12206 25.046 -36.145 25.570 1.00 0.00 WAT +ATOM 42928 H2 TIP3 12206 24.071 -35.871 26.706 1.00 0.00 WAT +ATOM 42929 OH2 TIP3 12207 21.297 -39.487 21.050 1.00 0.00 WAT +ATOM 42930 H1 TIP3 12207 20.355 -39.401 21.285 1.00 0.00 WAT +ATOM 42931 H2 TIP3 12207 21.686 -39.639 21.920 1.00 0.00 WAT +ATOM 42932 OH2 TIP3 12208 16.160 -38.260 19.746 1.00 0.00 WAT +ATOM 42933 H1 TIP3 12208 15.411 -37.995 19.186 1.00 0.00 WAT +ATOM 42934 H2 TIP3 12208 16.537 -39.044 19.298 1.00 0.00 WAT +ATOM 42935 OH2 TIP3 12209 19.874 -37.984 17.303 1.00 0.00 WAT +ATOM 42936 H1 TIP3 12209 20.823 -37.816 17.417 1.00 0.00 WAT +ATOM 42937 H2 TIP3 12209 19.595 -37.298 16.673 1.00 0.00 WAT +ATOM 42938 OH2 TIP3 12210 25.995 -40.339 24.013 1.00 0.00 WAT +ATOM 42939 H1 TIP3 12210 25.332 -40.353 24.729 1.00 0.00 WAT +ATOM 42940 H2 TIP3 12210 25.437 -40.643 23.273 1.00 0.00 WAT +ATOM 42941 OH2 TIP3 12211 18.301 -36.681 15.119 1.00 0.00 WAT +ATOM 42942 H1 TIP3 12211 17.740 -36.958 14.379 1.00 0.00 WAT +ATOM 42943 H2 TIP3 12211 19.134 -36.491 14.654 1.00 0.00 WAT +ATOM 42944 OH2 TIP3 12212 16.964 -31.946 30.112 1.00 0.00 WAT +ATOM 42945 H1 TIP3 12212 17.628 -31.834 30.823 1.00 0.00 WAT +ATOM 42946 H2 TIP3 12212 16.150 -31.958 30.651 1.00 0.00 WAT +ATOM 42947 OH2 TIP3 12213 22.722 -36.930 22.882 1.00 0.00 WAT +ATOM 42948 H1 TIP3 12213 23.367 -37.477 22.412 1.00 0.00 WAT +ATOM 42949 H2 TIP3 12213 22.389 -37.540 23.570 1.00 0.00 WAT +ATOM 42950 OH2 TIP3 12214 17.872 -40.530 19.002 1.00 0.00 WAT +ATOM 42951 H1 TIP3 12214 17.500 -41.349 19.357 1.00 0.00 WAT +ATOM 42952 H2 TIP3 12214 18.753 -40.804 18.724 1.00 0.00 WAT +ATOM 42953 OH2 TIP3 12215 21.463 -38.286 25.160 1.00 0.00 WAT +ATOM 42954 H1 TIP3 12215 20.577 -37.905 25.052 1.00 0.00 WAT +ATOM 42955 H2 TIP3 12215 21.756 -37.976 26.040 1.00 0.00 WAT +ATOM 42956 OH2 TIP3 12216 21.783 -32.090 16.965 1.00 0.00 WAT +ATOM 42957 H1 TIP3 12216 21.025 -32.603 16.610 1.00 0.00 WAT +ATOM 42958 H2 TIP3 12216 21.586 -32.057 17.928 1.00 0.00 WAT +ATOM 42959 OH2 TIP3 12217 28.999 -32.981 25.697 1.00 0.00 WAT +ATOM 42960 H1 TIP3 12217 29.503 -32.417 25.070 1.00 0.00 WAT +ATOM 42961 H2 TIP3 12217 28.147 -33.069 25.223 1.00 0.00 WAT +ATOM 42962 OH2 TIP3 12218 25.961 -39.297 14.568 1.00 0.00 WAT +ATOM 42963 H1 TIP3 12218 24.979 -39.387 14.600 1.00 0.00 WAT +ATOM 42964 H2 TIP3 12218 26.140 -38.628 15.258 1.00 0.00 WAT +ATOM 42965 OH2 TIP3 12219 23.547 -32.065 28.337 1.00 0.00 WAT +ATOM 42966 H1 TIP3 12219 23.082 -32.385 29.120 1.00 0.00 WAT +ATOM 42967 H2 TIP3 12219 23.181 -31.170 28.240 1.00 0.00 WAT +ATOM 42968 OH2 TIP3 12220 26.610 -37.492 16.733 1.00 0.00 WAT +ATOM 42969 H1 TIP3 12220 27.480 -37.622 17.159 1.00 0.00 WAT +ATOM 42970 H2 TIP3 12220 26.698 -36.597 16.355 1.00 0.00 WAT +ATOM 42971 OH2 TIP3 12221 17.089 -32.753 22.832 1.00 0.00 WAT +ATOM 42972 H1 TIP3 12221 17.568 -32.900 21.997 1.00 0.00 WAT +ATOM 42973 H2 TIP3 12221 17.019 -33.652 23.188 1.00 0.00 WAT +ATOM 42974 OH2 TIP3 12222 24.186 -30.733 15.891 1.00 0.00 WAT +ATOM 42975 H1 TIP3 12222 23.927 -29.871 16.277 1.00 0.00 WAT +ATOM 42976 H2 TIP3 12222 23.434 -31.289 16.162 1.00 0.00 WAT +ATOM 42977 OH2 TIP3 12223 14.094 -34.391 28.103 1.00 0.00 WAT +ATOM 42978 H1 TIP3 12223 14.363 -34.895 28.894 1.00 0.00 WAT +ATOM 42979 H2 TIP3 12223 13.632 -35.053 27.564 1.00 0.00 WAT +ATOM 42980 OH2 TIP3 12224 21.121 -34.953 30.056 1.00 0.00 WAT +ATOM 42981 H1 TIP3 12224 20.681 -35.201 29.218 1.00 0.00 WAT +ATOM 42982 H2 TIP3 12224 22.041 -35.185 29.851 1.00 0.00 WAT +ATOM 42983 OH2 TIP3 12225 25.718 -29.608 27.766 1.00 0.00 WAT +ATOM 42984 H1 TIP3 12225 24.760 -29.472 27.699 1.00 0.00 WAT +ATOM 42985 H2 TIP3 12225 25.907 -29.262 28.652 1.00 0.00 WAT +ATOM 42986 OH2 TIP3 12226 31.228 -37.459 16.531 1.00 0.00 WAT +ATOM 42987 H1 TIP3 12226 30.665 -37.651 15.754 1.00 0.00 WAT +ATOM 42988 H2 TIP3 12226 31.344 -36.497 16.393 1.00 0.00 WAT +ATOM 42989 OH2 TIP3 12227 31.577 -31.570 29.359 1.00 0.00 WAT +ATOM 42990 H1 TIP3 12227 30.634 -31.415 29.141 1.00 0.00 WAT +ATOM 42991 H2 TIP3 12227 31.941 -31.676 28.460 1.00 0.00 WAT +ATOM 42992 OH2 TIP3 12228 29.430 -28.827 16.627 1.00 0.00 WAT +ATOM 42993 H1 TIP3 12228 29.192 -29.596 17.166 1.00 0.00 WAT +ATOM 42994 H2 TIP3 12228 29.959 -29.214 15.916 1.00 0.00 WAT +ATOM 42995 OH2 TIP3 12229 26.676 -33.513 24.010 1.00 0.00 WAT +ATOM 42996 H1 TIP3 12229 25.740 -33.649 23.764 1.00 0.00 WAT +ATOM 42997 H2 TIP3 12229 27.102 -34.226 23.493 1.00 0.00 WAT +ATOM 42998 OH2 TIP3 12230 19.307 -29.419 20.040 1.00 0.00 WAT +ATOM 42999 H1 TIP3 12230 19.726 -28.553 19.912 1.00 0.00 WAT +ATOM 43000 H2 TIP3 12230 18.391 -29.231 19.800 1.00 0.00 WAT +ATOM 43001 OH2 TIP3 12231 15.295 -34.626 14.654 1.00 0.00 WAT +ATOM 43002 H1 TIP3 12231 15.881 -33.956 15.052 1.00 0.00 WAT +ATOM 43003 H2 TIP3 12231 14.424 -34.335 14.980 1.00 0.00 WAT +ATOM 43004 OH2 TIP3 12232 21.150 -31.721 19.683 1.00 0.00 WAT +ATOM 43005 H1 TIP3 12232 20.809 -30.821 19.808 1.00 0.00 WAT +ATOM 43006 H2 TIP3 12232 20.450 -32.248 20.097 1.00 0.00 WAT +ATOM 43007 OH2 TIP3 12233 21.304 -27.466 26.025 1.00 0.00 WAT +ATOM 43008 H1 TIP3 12233 21.858 -26.721 25.733 1.00 0.00 WAT +ATOM 43009 H2 TIP3 12233 21.930 -27.958 26.580 1.00 0.00 WAT +ATOM 43010 OH2 TIP3 12234 19.751 -26.520 19.281 1.00 0.00 WAT +ATOM 43011 H1 TIP3 12234 18.792 -26.372 19.339 1.00 0.00 WAT +ATOM 43012 H2 TIP3 12234 20.096 -25.633 19.493 1.00 0.00 WAT +ATOM 43013 OH2 TIP3 12235 24.759 -31.763 25.635 1.00 0.00 WAT +ATOM 43014 H1 TIP3 12235 24.483 -31.994 26.539 1.00 0.00 WAT +ATOM 43015 H2 TIP3 12235 25.486 -32.383 25.471 1.00 0.00 WAT +ATOM 43016 OH2 TIP3 12236 26.891 -30.401 14.514 1.00 0.00 WAT +ATOM 43017 H1 TIP3 12236 27.298 -30.873 15.263 1.00 0.00 WAT +ATOM 43018 H2 TIP3 12236 25.956 -30.545 14.741 1.00 0.00 WAT +ATOM 43019 OH2 TIP3 12237 27.686 -27.155 27.996 1.00 0.00 WAT +ATOM 43020 H1 TIP3 12237 26.926 -27.537 27.517 1.00 0.00 WAT +ATOM 43021 H2 TIP3 12237 27.844 -26.332 27.488 1.00 0.00 WAT +ATOM 43022 OH2 TIP3 12238 31.632 -26.154 15.039 1.00 0.00 WAT +ATOM 43023 H1 TIP3 12238 32.312 -25.501 14.809 1.00 0.00 WAT +ATOM 43024 H2 TIP3 12238 30.851 -25.570 15.057 1.00 0.00 WAT +ATOM 43025 OH2 TIP3 12239 15.628 -39.626 27.635 1.00 0.00 WAT +ATOM 43026 H1 TIP3 12239 14.807 -39.492 27.133 1.00 0.00 WAT +ATOM 43027 H2 TIP3 12239 15.491 -40.554 27.902 1.00 0.00 WAT +ATOM 43028 OH2 TIP3 12240 27.847 -31.797 16.892 1.00 0.00 WAT +ATOM 43029 H1 TIP3 12240 27.570 -32.519 17.482 1.00 0.00 WAT +ATOM 43030 H2 TIP3 12240 28.815 -31.825 16.985 1.00 0.00 WAT +ATOM 43031 OH2 TIP3 12241 15.273 -28.025 26.060 1.00 0.00 WAT +ATOM 43032 H1 TIP3 12241 15.561 -28.936 26.216 1.00 0.00 WAT +ATOM 43033 H2 TIP3 12241 15.490 -27.624 26.910 1.00 0.00 WAT +ATOM 43034 OH2 TIP3 12242 21.134 -29.361 13.091 1.00 0.00 WAT +ATOM 43035 H1 TIP3 12242 21.402 -30.149 12.584 1.00 0.00 WAT +ATOM 43036 H2 TIP3 12242 20.692 -29.766 13.857 1.00 0.00 WAT +ATOM 43037 OH2 TIP3 12243 19.971 -29.852 15.792 1.00 0.00 WAT +ATOM 43038 H1 TIP3 12243 20.476 -30.379 16.427 1.00 0.00 WAT +ATOM 43039 H2 TIP3 12243 20.112 -28.938 16.117 1.00 0.00 WAT +ATOM 43040 OH2 TIP3 12244 16.802 -32.415 16.186 1.00 0.00 WAT +ATOM 43041 H1 TIP3 12244 16.080 -32.031 16.720 1.00 0.00 WAT +ATOM 43042 H2 TIP3 12244 17.271 -31.610 15.906 1.00 0.00 WAT +ATOM 43043 OH2 TIP3 12245 24.364 -40.025 26.321 1.00 0.00 WAT +ATOM 43044 H1 TIP3 12245 25.071 -39.828 26.948 1.00 0.00 WAT +ATOM 43045 H2 TIP3 12245 24.031 -40.892 26.617 1.00 0.00 WAT +ATOM 43046 OH2 TIP3 12246 25.257 -40.593 17.442 1.00 0.00 WAT +ATOM 43047 H1 TIP3 12246 25.242 -39.981 16.691 1.00 0.00 WAT +ATOM 43048 H2 TIP3 12246 25.547 -40.013 18.165 1.00 0.00 WAT +ATOM 43049 OH2 TIP3 12247 22.924 -28.207 16.433 1.00 0.00 WAT +ATOM 43050 H1 TIP3 12247 22.092 -27.732 16.590 1.00 0.00 WAT +ATOM 43051 H2 TIP3 12247 23.260 -27.758 15.645 1.00 0.00 WAT +ATOM 43052 OH2 TIP3 12248 22.562 -38.572 18.550 1.00 0.00 WAT +ATOM 43053 H1 TIP3 12248 23.256 -37.894 18.685 1.00 0.00 WAT +ATOM 43054 H2 TIP3 12248 22.143 -38.629 19.428 1.00 0.00 WAT +ATOM 43055 OH2 TIP3 12249 22.726 -37.647 27.616 1.00 0.00 WAT +ATOM 43056 H1 TIP3 12249 22.973 -37.055 28.335 1.00 0.00 WAT +ATOM 43057 H2 TIP3 12249 23.413 -38.327 27.606 1.00 0.00 WAT +ATOM 43058 OH2 TIP3 12250 23.320 -41.681 19.556 1.00 0.00 WAT +ATOM 43059 H1 TIP3 12250 22.897 -40.892 19.931 1.00 0.00 WAT +ATOM 43060 H2 TIP3 12250 23.772 -41.301 18.780 1.00 0.00 WAT +ATOM 43061 OH2 TIP3 12251 20.126 -27.153 16.425 1.00 0.00 WAT +ATOM 43062 H1 TIP3 12251 20.047 -26.347 15.869 1.00 0.00 WAT +ATOM 43063 H2 TIP3 12251 19.976 -26.795 17.318 1.00 0.00 WAT +ATOM 43064 OH2 TIP3 12252 18.736 -40.494 16.022 1.00 0.00 WAT +ATOM 43065 H1 TIP3 12252 18.784 -39.663 16.535 1.00 0.00 WAT +ATOM 43066 H2 TIP3 12252 19.593 -40.885 16.267 1.00 0.00 WAT +ATOM 43067 OH2 TIP3 12253 29.317 -39.644 28.403 1.00 0.00 WAT +ATOM 43068 H1 TIP3 12253 28.375 -39.396 28.383 1.00 0.00 WAT +ATOM 43069 H2 TIP3 12253 29.409 -39.925 27.481 1.00 0.00 WAT +ATOM 43070 OH2 TIP3 12254 27.674 -35.737 22.494 1.00 0.00 WAT +ATOM 43071 H1 TIP3 12254 26.856 -36.184 22.205 1.00 0.00 WAT +ATOM 43072 H2 TIP3 12254 28.159 -36.465 22.940 1.00 0.00 WAT +ATOM 43073 OH2 TIP3 12255 17.233 -29.610 14.961 1.00 0.00 WAT +ATOM 43074 H1 TIP3 12255 17.971 -29.108 15.347 1.00 0.00 WAT +ATOM 43075 H2 TIP3 12255 17.720 -30.103 14.282 1.00 0.00 WAT +ATOM 43076 OH2 TIP3 12256 15.383 -37.447 14.057 1.00 0.00 WAT +ATOM 43077 H1 TIP3 12256 15.517 -36.509 14.291 1.00 0.00 WAT +ATOM 43078 H2 TIP3 12256 14.509 -37.427 13.648 1.00 0.00 WAT +ATOM 43079 OH2 TIP3 12257 28.701 -26.900 23.890 1.00 0.00 WAT +ATOM 43080 H1 TIP3 12257 28.501 -26.063 23.426 1.00 0.00 WAT +ATOM 43081 H2 TIP3 12257 29.621 -26.735 24.152 1.00 0.00 WAT +ATOM 43082 OH2 TIP3 12258 15.998 -42.376 23.232 1.00 0.00 WAT +ATOM 43083 H1 TIP3 12258 16.416 -42.183 22.383 1.00 0.00 WAT +ATOM 43084 H2 TIP3 12258 15.823 -43.321 23.153 1.00 0.00 WAT +ATOM 43085 OH2 TIP3 12259 15.191 -28.894 19.140 1.00 0.00 WAT +ATOM 43086 H1 TIP3 12259 14.413 -28.371 19.372 1.00 0.00 WAT +ATOM 43087 H2 TIP3 12259 15.571 -28.368 18.421 1.00 0.00 WAT +ATOM 43088 OH2 TIP3 12260 14.615 -25.987 30.267 1.00 0.00 WAT +ATOM 43089 H1 TIP3 12260 15.172 -26.262 31.021 1.00 0.00 WAT +ATOM 43090 H2 TIP3 12260 14.212 -26.836 29.999 1.00 0.00 WAT +ATOM 43091 OH2 TIP3 12261 19.252 -26.965 32.090 1.00 0.00 WAT +ATOM 43092 H1 TIP3 12261 19.999 -27.561 32.251 1.00 0.00 WAT +ATOM 43093 H2 TIP3 12261 19.050 -27.172 31.162 1.00 0.00 WAT +ATOM 43094 OH2 TIP3 12262 23.347 -27.672 13.600 1.00 0.00 WAT +ATOM 43095 H1 TIP3 12262 22.578 -28.273 13.486 1.00 0.00 WAT +ATOM 43096 H2 TIP3 12262 24.046 -28.218 13.206 1.00 0.00 WAT +ATOM 43097 OH2 TIP3 12263 25.732 -28.621 30.650 1.00 0.00 WAT +ATOM 43098 H1 TIP3 12263 25.386 -29.449 31.026 1.00 0.00 WAT +ATOM 43099 H2 TIP3 12263 26.453 -28.391 31.265 1.00 0.00 WAT +ATOM 43100 OH2 TIP3 12264 27.978 -27.745 13.699 1.00 0.00 WAT +ATOM 43101 H1 TIP3 12264 28.105 -28.570 14.197 1.00 0.00 WAT +ATOM 43102 H2 TIP3 12264 28.763 -27.729 13.124 1.00 0.00 WAT +ATOM 43103 OH2 TIP3 12265 14.554 -32.364 31.407 1.00 0.00 WAT +ATOM 43104 H1 TIP3 12265 14.649 -33.257 31.037 1.00 0.00 WAT +ATOM 43105 H2 TIP3 12265 13.788 -32.041 30.893 1.00 0.00 WAT +ATOM 43106 OH2 TIP3 12266 18.769 -31.927 13.422 1.00 0.00 WAT +ATOM 43107 H1 TIP3 12266 18.930 -32.523 14.172 1.00 0.00 WAT +ATOM 43108 H2 TIP3 12266 19.629 -31.971 12.964 1.00 0.00 WAT +ATOM 43109 OH2 TIP3 12267 21.219 -32.191 30.723 1.00 0.00 WAT +ATOM 43110 H1 TIP3 12267 20.874 -31.803 29.899 1.00 0.00 WAT +ATOM 43111 H2 TIP3 12267 21.197 -33.152 30.537 1.00 0.00 WAT +ATOM 43112 OH2 TIP3 12268 24.021 -30.600 13.035 1.00 0.00 WAT +ATOM 43113 H1 TIP3 12268 23.956 -30.649 14.005 1.00 0.00 WAT +ATOM 43114 H2 TIP3 12268 23.958 -31.554 12.814 1.00 0.00 WAT +ATOM 43115 OH2 TIP3 12269 26.642 -32.635 28.457 1.00 0.00 WAT +ATOM 43116 H1 TIP3 12269 27.310 -31.995 28.152 1.00 0.00 WAT +ATOM 43117 H2 TIP3 12269 25.830 -32.104 28.358 1.00 0.00 WAT +ATOM 43118 OH2 TIP3 12270 15.409 -35.204 30.574 1.00 0.00 WAT +ATOM 43119 H1 TIP3 12270 16.123 -35.857 30.571 1.00 0.00 WAT +ATOM 43120 H2 TIP3 12270 15.347 -34.996 31.519 1.00 0.00 WAT +ATOM 43121 OH2 TIP3 12271 19.864 -33.852 15.766 1.00 0.00 WAT +ATOM 43122 H1 TIP3 12271 19.253 -34.357 16.323 1.00 0.00 WAT +ATOM 43123 H2 TIP3 12271 20.149 -34.534 15.124 1.00 0.00 WAT +ATOM 43124 OH2 TIP3 12272 19.184 -36.052 27.998 1.00 0.00 WAT +ATOM 43125 H1 TIP3 12272 18.531 -35.332 28.090 1.00 0.00 WAT +ATOM 43126 H2 TIP3 12272 19.615 -35.791 27.169 1.00 0.00 WAT +ATOM 43127 OH2 TIP3 12273 20.802 -35.830 14.015 1.00 0.00 WAT +ATOM 43128 H1 TIP3 12273 20.760 -35.751 13.044 1.00 0.00 WAT +ATOM 43129 H2 TIP3 12273 21.764 -35.875 14.165 1.00 0.00 WAT +ATOM 43130 OH2 TIP3 12274 24.367 -33.314 31.636 1.00 0.00 WAT +ATOM 43131 H1 TIP3 12274 25.235 -33.339 31.224 1.00 0.00 WAT +ATOM 43132 H2 TIP3 12274 24.120 -34.236 31.723 1.00 0.00 WAT +ATOM 43133 OH2 TIP3 12275 30.328 -33.316 13.334 1.00 0.00 WAT +ATOM 43134 H1 TIP3 12275 30.209 -33.738 12.471 1.00 0.00 WAT +ATOM 43135 H2 TIP3 12275 30.206 -32.371 13.094 1.00 0.00 WAT +ATOM 43136 OH2 TIP3 12276 19.694 -38.747 29.129 1.00 0.00 WAT +ATOM 43137 H1 TIP3 12276 19.653 -39.430 28.439 1.00 0.00 WAT +ATOM 43138 H2 TIP3 12276 19.492 -37.947 28.608 1.00 0.00 WAT +ATOM 43139 OH2 TIP3 12277 19.899 -40.413 26.482 1.00 0.00 WAT +ATOM 43140 H1 TIP3 12277 20.511 -39.878 25.939 1.00 0.00 WAT +ATOM 43141 H2 TIP3 12277 19.084 -40.232 25.967 1.00 0.00 WAT +ATOM 43142 OH2 TIP3 12278 21.765 -34.792 27.049 1.00 0.00 WAT +ATOM 43143 H1 TIP3 12278 22.379 -34.887 26.319 1.00 0.00 WAT +ATOM 43144 H2 TIP3 12278 21.253 -34.013 26.752 1.00 0.00 WAT +ATOM 43145 OH2 TIP3 12279 26.570 -36.781 31.709 1.00 0.00 WAT +ATOM 43146 H1 TIP3 12279 26.285 -37.710 31.691 1.00 0.00 WAT +ATOM 43147 H2 TIP3 12279 27.446 -36.899 32.132 1.00 0.00 WAT +ATOM 43148 OH2 TIP3 12280 17.968 -37.001 31.030 1.00 0.00 WAT +ATOM 43149 H1 TIP3 12280 17.359 -37.752 30.923 1.00 0.00 WAT +ATOM 43150 H2 TIP3 12280 18.694 -37.259 30.442 1.00 0.00 WAT +ATOM 43151 OH2 TIP3 12281 20.617 -42.816 27.789 1.00 0.00 WAT +ATOM 43152 H1 TIP3 12281 20.597 -41.904 27.430 1.00 0.00 WAT +ATOM 43153 H2 TIP3 12281 19.734 -43.114 27.535 1.00 0.00 WAT +ATOM 43154 OH2 TIP3 12282 22.003 -38.429 30.752 1.00 0.00 WAT +ATOM 43155 H1 TIP3 12282 21.587 -38.731 31.581 1.00 0.00 WAT +ATOM 43156 H2 TIP3 12282 21.252 -38.602 30.143 1.00 0.00 WAT +ATOM 43157 OH2 TIP3 12283 24.662 -39.345 29.801 1.00 0.00 WAT +ATOM 43158 H1 TIP3 12283 23.713 -39.341 30.026 1.00 0.00 WAT +ATOM 43159 H2 TIP3 12283 24.981 -40.103 30.324 1.00 0.00 WAT +ATOM 43160 OH2 TIP3 12284 26.309 -41.213 31.573 1.00 0.00 WAT +ATOM 43161 H1 TIP3 12284 26.157 -42.141 31.799 1.00 0.00 WAT +ATOM 43162 H2 TIP3 12284 26.049 -40.751 32.381 1.00 0.00 WAT +ATOM 43163 OH2 TIP3 12285 16.630 -39.574 30.763 1.00 0.00 WAT +ATOM 43164 H1 TIP3 12285 16.377 -40.169 30.033 1.00 0.00 WAT +ATOM 43165 H2 TIP3 12285 16.206 -39.996 31.525 1.00 0.00 WAT +ATOM 43166 OH2 TIP3 12286 21.676 -41.420 31.816 1.00 0.00 WAT +ATOM 43167 H1 TIP3 12286 21.455 -42.260 31.369 1.00 0.00 WAT +ATOM 43168 H2 TIP3 12286 20.809 -40.983 31.879 1.00 0.00 WAT +ATOM 43169 OH2 TIP3 12287 20.581 -24.607 15.118 1.00 0.00 WAT +ATOM 43170 H1 TIP3 12287 21.537 -24.481 15.197 1.00 0.00 WAT +ATOM 43171 H2 TIP3 12287 20.408 -24.145 14.286 1.00 0.00 WAT +ATOM 43172 OH2 TIP3 12288 14.484 -30.212 14.666 1.00 0.00 WAT +ATOM 43173 H1 TIP3 12288 15.438 -30.012 14.777 1.00 0.00 WAT +ATOM 43174 H2 TIP3 12288 14.507 -30.984 14.066 1.00 0.00 WAT +ATOM 43175 OH2 TIP3 12289 13.484 -25.010 19.381 1.00 0.00 WAT +ATOM 43176 H1 TIP3 12289 12.771 -25.379 18.825 1.00 0.00 WAT +ATOM 43177 H2 TIP3 12289 13.569 -25.698 20.071 1.00 0.00 WAT +ATOM 43178 OH2 TIP3 12290 13.870 -26.990 21.368 1.00 0.00 WAT +ATOM 43179 H1 TIP3 12290 13.574 -27.859 21.685 1.00 0.00 WAT +ATOM 43180 H2 TIP3 12290 14.211 -26.628 22.200 1.00 0.00 WAT +ATOM 43181 OH2 TIP3 12291 31.408 -25.760 24.408 1.00 0.00 WAT +ATOM 43182 H1 TIP3 12291 31.488 -25.693 25.378 1.00 0.00 WAT +ATOM 43183 H2 TIP3 12291 32.284 -25.469 24.126 1.00 0.00 WAT +ATOM 43184 OH2 TIP3 12292 31.340 -26.172 27.216 1.00 0.00 WAT +ATOM 43185 H1 TIP3 12292 30.742 -26.898 26.982 1.00 0.00 WAT +ATOM 43186 H2 TIP3 12292 31.816 -26.549 27.966 1.00 0.00 WAT +ATOM 43187 OH2 TIP3 12293 29.326 -30.802 31.605 1.00 0.00 WAT +ATOM 43188 H1 TIP3 12293 28.437 -30.659 31.976 1.00 0.00 WAT +ATOM 43189 H2 TIP3 12293 29.785 -29.978 31.838 1.00 0.00 WAT +ATOM 43190 OH2 TIP3 12294 30.712 -31.941 17.275 1.00 0.00 WAT +ATOM 43191 H1 TIP3 12294 31.619 -31.625 17.444 1.00 0.00 WAT +ATOM 43192 H2 TIP3 12294 30.617 -32.581 18.004 1.00 0.00 WAT +ATOM 43193 OH2 TIP3 12295 31.163 -33.975 19.247 1.00 0.00 WAT +ATOM 43194 H1 TIP3 12295 30.499 -34.548 19.678 1.00 0.00 WAT +ATOM 43195 H2 TIP3 12295 31.851 -33.870 19.932 1.00 0.00 WAT +ATOM 43196 OH2 TIP3 12296 30.892 -31.507 24.256 1.00 0.00 WAT +ATOM 43197 H1 TIP3 12296 31.504 -31.968 23.662 1.00 0.00 WAT +ATOM 43198 H2 TIP3 12296 30.985 -30.586 23.960 1.00 0.00 WAT +ATOM 43199 OH2 TIP3 12297 29.610 -28.610 26.507 1.00 0.00 WAT +ATOM 43200 H1 TIP3 12297 28.893 -28.149 26.976 1.00 0.00 WAT +ATOM 43201 H2 TIP3 12297 29.160 -28.926 25.702 1.00 0.00 WAT +ATOM 43202 OH2 TIP3 12298 31.431 -34.540 15.831 1.00 0.00 WAT +ATOM 43203 H1 TIP3 12298 30.914 -34.260 15.052 1.00 0.00 WAT +ATOM 43204 H2 TIP3 12298 31.288 -33.788 16.426 1.00 0.00 WAT +ATOM 43205 OH2 TIP3 12299 29.708 -36.989 14.088 1.00 0.00 WAT +ATOM 43206 H1 TIP3 12299 29.964 -36.386 13.377 1.00 0.00 WAT +ATOM 43207 H2 TIP3 12299 29.444 -37.790 13.599 1.00 0.00 WAT +ATOM 43208 OH2 TIP3 12300 29.124 -35.842 20.080 1.00 0.00 WAT +ATOM 43209 H1 TIP3 12300 29.028 -36.788 19.879 1.00 0.00 WAT +ATOM 43210 H2 TIP3 12300 28.715 -35.766 20.964 1.00 0.00 WAT +ATOM 43211 OH2 TIP3 12301 13.945 -33.606 23.768 1.00 0.00 WAT +ATOM 43212 H1 TIP3 12301 14.211 -33.640 22.832 1.00 0.00 WAT +ATOM 43213 H2 TIP3 12301 14.791 -33.850 24.204 1.00 0.00 WAT +ATOM 43214 OH2 TIP3 12302 30.648 -35.838 30.214 1.00 0.00 WAT +ATOM 43215 H1 TIP3 12302 30.424 -36.528 29.575 1.00 0.00 WAT +ATOM 43216 H2 TIP3 12302 31.605 -36.009 30.303 1.00 0.00 WAT +ATOM 43217 OH2 TIP3 12303 29.113 -39.683 13.263 1.00 0.00 WAT +ATOM 43218 H1 TIP3 12303 29.693 -40.132 13.901 1.00 0.00 WAT +ATOM 43219 H2 TIP3 12303 28.287 -40.180 13.336 1.00 0.00 WAT +ATOM 43220 OH2 TIP3 12304 28.942 -38.266 18.271 1.00 0.00 WAT +ATOM 43221 H1 TIP3 12304 29.106 -39.237 18.318 1.00 0.00 WAT +ATOM 43222 H2 TIP3 12304 29.762 -37.975 17.835 1.00 0.00 WAT +ATOM 43223 OH2 TIP3 12305 29.190 -37.736 23.658 1.00 0.00 WAT +ATOM 43224 H1 TIP3 12305 30.166 -37.674 23.633 1.00 0.00 WAT +ATOM 43225 H2 TIP3 12305 29.045 -37.763 24.616 1.00 0.00 WAT +ATOM 43226 OH2 TIP3 12306 29.326 -37.016 26.572 1.00 0.00 WAT +ATOM 43227 H1 TIP3 12306 28.506 -36.597 26.869 1.00 0.00 WAT +ATOM 43228 H2 TIP3 12306 29.848 -36.253 26.259 1.00 0.00 WAT +ATOM 43229 OH2 TIP3 12307 13.858 -38.361 30.186 1.00 0.00 WAT +ATOM 43230 H1 TIP3 12307 14.792 -38.596 30.072 1.00 0.00 WAT +ATOM 43231 H2 TIP3 12307 13.436 -39.232 30.215 1.00 0.00 WAT +ATOM 43232 OH2 TIP3 12308 31.461 -42.752 32.247 1.00 0.00 WAT +ATOM 43233 H1 TIP3 12308 32.055 -43.493 32.071 1.00 0.00 WAT +ATOM 43234 H2 TIP3 12308 31.545 -42.150 31.473 1.00 0.00 WAT +ATOM 43235 OH2 TIP3 12309 29.227 -40.982 18.342 1.00 0.00 WAT +ATOM 43236 H1 TIP3 12309 29.454 -41.499 19.126 1.00 0.00 WAT +ATOM 43237 H2 TIP3 12309 28.606 -41.586 17.892 1.00 0.00 WAT +ATOM 43238 OH2 TIP3 12310 14.883 -39.910 23.122 1.00 0.00 WAT +ATOM 43239 H1 TIP3 12310 15.268 -40.805 23.246 1.00 0.00 WAT +ATOM 43240 H2 TIP3 12310 15.676 -39.402 23.364 1.00 0.00 WAT +ATOM 43241 OH2 TIP3 12311 13.151 -37.214 23.895 1.00 0.00 WAT +ATOM 43242 H1 TIP3 12311 13.875 -37.433 23.284 1.00 0.00 WAT +ATOM 43243 H2 TIP3 12311 13.585 -36.538 24.430 1.00 0.00 WAT +ATOM 43244 OH2 TIP3 12312 31.306 -41.064 30.103 1.00 0.00 WAT +ATOM 43245 H1 TIP3 12312 30.445 -40.608 30.096 1.00 0.00 WAT +ATOM 43246 H2 TIP3 12312 31.272 -41.456 29.214 1.00 0.00 WAT +ATOM 43247 OH2 TIP3 12313 31.374 -40.590 14.978 1.00 0.00 WAT +ATOM 43248 H1 TIP3 12313 31.542 -41.426 14.492 1.00 0.00 WAT +ATOM 43249 H2 TIP3 12313 32.230 -40.142 14.939 1.00 0.00 WAT +ATOM 43250 OH2 TIP3 12314 13.692 -41.069 17.995 1.00 0.00 WAT +ATOM 43251 H1 TIP3 12314 12.745 -40.900 17.864 1.00 0.00 WAT +ATOM 43252 H2 TIP3 12314 14.112 -40.347 17.480 1.00 0.00 WAT +ATOM 43253 OH2 TIP3 12315 28.285 -25.636 20.163 1.00 0.00 WAT +ATOM 43254 H1 TIP3 12315 28.771 -25.924 19.373 1.00 0.00 WAT +ATOM 43255 H2 TIP3 12315 28.995 -25.336 20.743 1.00 0.00 WAT +ATOM 43256 OH2 TIP3 12316 13.623 -41.487 26.534 1.00 0.00 WAT +ATOM 43257 H1 TIP3 12316 13.026 -42.186 26.838 1.00 0.00 WAT +ATOM 43258 H2 TIP3 12316 13.272 -41.281 25.651 1.00 0.00 WAT +ATOM 43259 OH2 TIP3 12317 15.702 -28.986 30.927 1.00 0.00 WAT +ATOM 43260 H1 TIP3 12317 15.001 -28.998 30.259 1.00 0.00 WAT +ATOM 43261 H2 TIP3 12317 15.200 -28.984 31.752 1.00 0.00 WAT +ATOM 43262 OH2 TIP3 12318 18.542 -27.968 26.584 1.00 0.00 WAT +ATOM 43263 H1 TIP3 12318 18.232 -27.120 26.219 1.00 0.00 WAT +ATOM 43264 H2 TIP3 12318 19.499 -27.884 26.398 1.00 0.00 WAT +ATOM 43265 OH2 TIP3 12319 23.036 -26.690 29.583 1.00 0.00 WAT +ATOM 43266 H1 TIP3 12319 23.214 -26.839 30.524 1.00 0.00 WAT +ATOM 43267 H2 TIP3 12319 23.853 -26.222 29.306 1.00 0.00 WAT +ATOM 43268 OH2 TIP3 12320 25.303 -25.260 28.850 1.00 0.00 WAT +ATOM 43269 H1 TIP3 12320 26.006 -25.858 28.555 1.00 0.00 WAT +ATOM 43270 H2 TIP3 12320 25.699 -24.896 29.664 1.00 0.00 WAT +ATOM 43271 OH2 TIP3 12321 29.919 -42.756 28.038 1.00 0.00 WAT +ATOM 43272 H1 TIP3 12321 29.415 -42.141 27.477 1.00 0.00 WAT +ATOM 43273 H2 TIP3 12321 30.133 -43.434 27.377 1.00 0.00 WAT +ATOM 43274 OH2 TIP3 12322 15.921 -25.021 26.908 1.00 0.00 WAT +ATOM 43275 H1 TIP3 12322 15.319 -24.401 26.458 1.00 0.00 WAT +ATOM 43276 H2 TIP3 12322 15.567 -24.988 27.805 1.00 0.00 WAT +ATOM 43277 OH2 TIP3 12323 18.415 -25.247 25.465 1.00 0.00 WAT +ATOM 43278 H1 TIP3 12323 17.555 -25.069 25.896 1.00 0.00 WAT +ATOM 43279 H2 TIP3 12323 18.437 -24.569 24.767 1.00 0.00 WAT +ATOM 43280 OH2 TIP3 12324 23.167 -25.267 25.024 1.00 0.00 WAT +ATOM 43281 H1 TIP3 12324 22.786 -24.821 24.246 1.00 0.00 WAT +ATOM 43282 H2 TIP3 12324 23.255 -24.521 25.648 1.00 0.00 WAT +ATOM 43283 OH2 TIP3 12325 25.560 -26.499 25.928 1.00 0.00 WAT +ATOM 43284 H1 TIP3 12325 24.716 -26.143 25.593 1.00 0.00 WAT +ATOM 43285 H2 TIP3 12325 26.125 -25.709 25.912 1.00 0.00 WAT +ATOM 43286 OH2 TIP3 12326 28.045 -24.897 26.274 1.00 0.00 WAT +ATOM 43287 H1 TIP3 12326 28.169 -23.930 26.237 1.00 0.00 WAT +ATOM 43288 H2 TIP3 12326 28.419 -25.162 25.420 1.00 0.00 WAT +ATOM 43289 OH2 TIP3 12327 15.499 -26.228 23.851 1.00 0.00 WAT +ATOM 43290 H1 TIP3 12327 15.475 -26.726 24.698 1.00 0.00 WAT +ATOM 43291 H2 TIP3 12327 16.252 -26.668 23.407 1.00 0.00 WAT +ATOM 43292 OH2 TIP3 12328 17.508 -27.474 22.302 1.00 0.00 WAT +ATOM 43293 H1 TIP3 12328 17.362 -28.410 22.550 1.00 0.00 WAT +ATOM 43294 H2 TIP3 12328 18.428 -27.329 22.598 1.00 0.00 WAT +ATOM 43295 OH2 TIP3 12329 20.277 -27.011 23.174 1.00 0.00 WAT +ATOM 43296 H1 TIP3 12329 20.465 -27.939 22.947 1.00 0.00 WAT +ATOM 43297 H2 TIP3 12329 20.338 -27.049 24.141 1.00 0.00 WAT +ATOM 43298 OH2 TIP3 12330 23.572 -41.081 22.510 1.00 0.00 WAT +ATOM 43299 H1 TIP3 12330 22.884 -41.717 22.772 1.00 0.00 WAT +ATOM 43300 H2 TIP3 12330 24.053 -41.560 21.821 1.00 0.00 WAT +ATOM 43301 OH2 TIP3 12331 28.841 -43.282 22.940 1.00 0.00 WAT +ATOM 43302 H1 TIP3 12331 29.440 -42.893 22.280 1.00 0.00 WAT +ATOM 43303 H2 TIP3 12331 27.969 -43.062 22.583 1.00 0.00 WAT +ATOM 43304 OH2 TIP3 12332 30.840 -42.258 20.766 1.00 0.00 WAT +ATOM 43305 H1 TIP3 12332 31.338 -42.457 19.967 1.00 0.00 WAT +ATOM 43306 H2 TIP3 12332 30.988 -41.299 20.865 1.00 0.00 WAT +ATOM 43307 OH2 TIP3 12333 15.898 -42.805 19.757 1.00 0.00 WAT +ATOM 43308 H1 TIP3 12333 15.000 -43.103 19.586 1.00 0.00 WAT +ATOM 43309 H2 TIP3 12333 16.324 -43.575 20.139 1.00 0.00 WAT +ATOM 43310 OH2 TIP3 12334 14.484 -42.907 16.016 1.00 0.00 WAT +ATOM 43311 H1 TIP3 12334 14.979 -42.432 15.323 1.00 0.00 WAT +ATOM 43312 H2 TIP3 12334 14.170 -42.166 16.568 1.00 0.00 WAT +ATOM 43313 OH2 TIP3 12335 20.552 -42.482 19.832 1.00 0.00 WAT +ATOM 43314 H1 TIP3 12335 21.496 -42.291 19.935 1.00 0.00 WAT +ATOM 43315 H2 TIP3 12335 20.299 -42.877 20.669 1.00 0.00 WAT +ATOM 43316 OH2 TIP3 12336 26.068 -42.674 21.455 1.00 0.00 WAT +ATOM 43317 H1 TIP3 12336 26.266 -42.588 20.515 1.00 0.00 WAT +ATOM 43318 H2 TIP3 12336 25.815 -43.602 21.550 1.00 0.00 WAT +ATOM 43319 OH2 TIP3 12337 27.089 -42.725 17.360 1.00 0.00 WAT +ATOM 43320 H1 TIP3 12337 26.341 -42.115 17.189 1.00 0.00 WAT +ATOM 43321 H2 TIP3 12337 26.665 -43.591 17.338 1.00 0.00 WAT +ATOM 43322 OH2 TIP3 12338 14.922 -26.961 17.081 1.00 0.00 WAT +ATOM 43323 H1 TIP3 12338 14.305 -27.074 16.341 1.00 0.00 WAT +ATOM 43324 H2 TIP3 12338 14.921 -25.996 17.154 1.00 0.00 WAT +ATOM 43325 OH2 TIP3 12339 16.439 -41.260 14.472 1.00 0.00 WAT +ATOM 43326 H1 TIP3 12339 17.154 -41.595 13.903 1.00 0.00 WAT +ATOM 43327 H2 TIP3 12339 16.957 -40.749 15.125 1.00 0.00 WAT +ATOM 43328 OH2 TIP3 12340 21.700 -40.592 16.726 1.00 0.00 WAT +ATOM 43329 H1 TIP3 12340 21.739 -41.458 17.177 1.00 0.00 WAT +ATOM 43330 H2 TIP3 12340 21.795 -39.939 17.444 1.00 0.00 WAT +ATOM 43331 OH2 TIP3 12341 23.622 -25.136 15.210 1.00 0.00 WAT +ATOM 43332 H1 TIP3 12341 24.595 -25.124 15.148 1.00 0.00 WAT +ATOM 43333 H2 TIP3 12341 23.411 -25.781 14.516 1.00 0.00 WAT +ATOM 43334 OH2 TIP3 12342 30.138 -26.107 17.775 1.00 0.00 WAT +ATOM 43335 H1 TIP3 12342 29.890 -26.954 17.349 1.00 0.00 WAT +ATOM 43336 H2 TIP3 12342 30.063 -25.493 17.027 1.00 0.00 WAT +ATOM 43337 OH2 TIP3 12343 15.520 -41.802 29.275 1.00 0.00 WAT +ATOM 43338 H1 TIP3 12343 15.130 -42.588 29.683 1.00 0.00 WAT +ATOM 43339 H2 TIP3 12343 16.406 -42.140 29.088 1.00 0.00 WAT +ATOM 43340 OH2 TIP3 12344 18.491 -42.782 31.904 1.00 0.00 WAT +ATOM 43341 H1 TIP3 12344 19.351 -43.057 31.512 1.00 0.00 WAT +ATOM 43342 H2 TIP3 12344 18.229 -43.584 32.370 1.00 0.00 WAT +ATOM 43343 OH2 TIP3 12345 16.357 -26.052 13.875 1.00 0.00 WAT +ATOM 43344 H1 TIP3 12345 16.153 -25.720 14.761 1.00 0.00 WAT +ATOM 43345 H2 TIP3 12345 17.163 -26.574 14.021 1.00 0.00 WAT +ATOM 43346 OH2 TIP3 12346 29.614 -27.177 30.260 1.00 0.00 WAT +ATOM 43347 H1 TIP3 12346 28.907 -27.281 29.595 1.00 0.00 WAT +ATOM 43348 H2 TIP3 12346 29.769 -26.220 30.250 1.00 0.00 WAT +ATOM 43349 OH2 TIP3 12347 42.132 -34.584 23.439 1.00 0.00 WAT +ATOM 43350 H1 TIP3 12347 42.914 -34.297 23.947 1.00 0.00 WAT +ATOM 43351 H2 TIP3 12347 42.476 -34.586 22.538 1.00 0.00 WAT +ATOM 43352 OH2 TIP3 12348 35.145 -34.638 25.047 1.00 0.00 WAT +ATOM 43353 H1 TIP3 12348 35.149 -35.385 25.674 1.00 0.00 WAT +ATOM 43354 H2 TIP3 12348 35.875 -34.101 25.385 1.00 0.00 WAT +ATOM 43355 OH2 TIP3 12349 35.820 -29.992 23.518 1.00 0.00 WAT +ATOM 43356 H1 TIP3 12349 35.570 -30.909 23.279 1.00 0.00 WAT +ATOM 43357 H2 TIP3 12349 36.745 -30.133 23.767 1.00 0.00 WAT +ATOM 43358 OH2 TIP3 12350 32.793 -36.618 18.930 1.00 0.00 WAT +ATOM 43359 H1 TIP3 12350 32.408 -35.731 19.012 1.00 0.00 WAT +ATOM 43360 H2 TIP3 12350 32.067 -37.102 18.517 1.00 0.00 WAT +ATOM 43361 OH2 TIP3 12351 33.608 -34.138 20.777 1.00 0.00 WAT +ATOM 43362 H1 TIP3 12351 33.754 -34.970 21.267 1.00 0.00 WAT +ATOM 43363 H2 TIP3 12351 34.446 -34.040 20.306 1.00 0.00 WAT +ATOM 43364 OH2 TIP3 12352 41.197 -31.715 24.042 1.00 0.00 WAT +ATOM 43365 H1 TIP3 12352 41.458 -32.453 23.466 1.00 0.00 WAT +ATOM 43366 H2 TIP3 12352 42.038 -31.505 24.467 1.00 0.00 WAT +ATOM 43367 OH2 TIP3 12353 37.418 -39.415 21.546 1.00 0.00 WAT +ATOM 43368 H1 TIP3 12353 37.586 -38.559 21.104 1.00 0.00 WAT +ATOM 43369 H2 TIP3 12353 37.078 -39.931 20.788 1.00 0.00 WAT +ATOM 43370 OH2 TIP3 12354 34.115 -36.629 22.023 1.00 0.00 WAT +ATOM 43371 H1 TIP3 12354 34.734 -37.111 22.593 1.00 0.00 WAT +ATOM 43372 H2 TIP3 12354 34.197 -37.119 21.186 1.00 0.00 WAT +ATOM 43373 OH2 TIP3 12355 39.511 -35.285 21.505 1.00 0.00 WAT +ATOM 43374 H1 TIP3 12355 40.271 -35.799 21.848 1.00 0.00 WAT +ATOM 43375 H2 TIP3 12355 39.023 -35.980 21.030 1.00 0.00 WAT +ATOM 43376 OH2 TIP3 12356 36.199 -40.555 25.726 1.00 0.00 WAT +ATOM 43377 H1 TIP3 12356 35.879 -40.015 24.985 1.00 0.00 WAT +ATOM 43378 H2 TIP3 12356 35.532 -40.333 26.405 1.00 0.00 WAT +ATOM 43379 OH2 TIP3 12357 39.150 -32.753 25.826 1.00 0.00 WAT +ATOM 43380 H1 TIP3 12357 38.427 -32.141 26.074 1.00 0.00 WAT +ATOM 43381 H2 TIP3 12357 39.807 -32.148 25.436 1.00 0.00 WAT +ATOM 43382 OH2 TIP3 12358 35.837 -38.565 23.638 1.00 0.00 WAT +ATOM 43383 H1 TIP3 12358 36.469 -37.953 24.073 1.00 0.00 WAT +ATOM 43384 H2 TIP3 12358 36.403 -38.902 22.908 1.00 0.00 WAT +ATOM 43385 OH2 TIP3 12359 37.146 -30.836 26.528 1.00 0.00 WAT +ATOM 43386 H1 TIP3 12359 37.138 -29.913 26.215 1.00 0.00 WAT +ATOM 43387 H2 TIP3 12359 36.276 -30.861 26.975 1.00 0.00 WAT +ATOM 43388 OH2 TIP3 12360 33.476 -31.117 17.411 1.00 0.00 WAT +ATOM 43389 H1 TIP3 12360 33.266 -30.617 16.605 1.00 0.00 WAT +ATOM 43390 H2 TIP3 12360 33.637 -30.417 18.078 1.00 0.00 WAT +ATOM 43391 OH2 TIP3 12361 40.462 43.789 22.908 1.00 0.00 WAT +ATOM 43392 H1 TIP3 12361 40.447 42.834 23.059 1.00 0.00 WAT +ATOM 43393 H2 TIP3 12361 39.601 44.098 23.251 1.00 0.00 WAT +ATOM 43394 OH2 TIP3 12362 42.640 -34.328 17.433 1.00 0.00 WAT +ATOM 43395 H1 TIP3 12362 41.985 -33.613 17.320 1.00 0.00 WAT +ATOM 43396 H2 TIP3 12362 43.340 -34.032 16.847 1.00 0.00 WAT +ATOM 43397 OH2 TIP3 12363 42.875 -35.823 14.637 1.00 0.00 WAT +ATOM 43398 H1 TIP3 12363 43.689 -35.821 15.163 1.00 0.00 WAT +ATOM 43399 H2 TIP3 12363 42.972 -36.599 14.078 1.00 0.00 WAT +ATOM 43400 OH2 TIP3 12364 37.581 -33.392 20.420 1.00 0.00 WAT +ATOM 43401 H1 TIP3 12364 37.276 -33.824 19.598 1.00 0.00 WAT +ATOM 43402 H2 TIP3 12364 38.235 -34.033 20.754 1.00 0.00 WAT +ATOM 43403 OH2 TIP3 12365 38.981 -29.991 23.162 1.00 0.00 WAT +ATOM 43404 H1 TIP3 12365 38.882 -30.402 22.294 1.00 0.00 WAT +ATOM 43405 H2 TIP3 12365 39.770 -30.448 23.510 1.00 0.00 WAT +ATOM 43406 OH2 TIP3 12366 38.157 -34.570 23.898 1.00 0.00 WAT +ATOM 43407 H1 TIP3 12366 38.756 -34.581 23.124 1.00 0.00 WAT +ATOM 43408 H2 TIP3 12366 38.579 -33.908 24.479 1.00 0.00 WAT +ATOM 43409 OH2 TIP3 12367 39.024 -30.225 28.731 1.00 0.00 WAT +ATOM 43410 H1 TIP3 12367 38.505 -29.552 29.210 1.00 0.00 WAT +ATOM 43411 H2 TIP3 12367 38.396 -30.481 28.030 1.00 0.00 WAT +ATOM 43412 OH2 TIP3 12368 35.955 -33.901 27.898 1.00 0.00 WAT +ATOM 43413 H1 TIP3 12368 35.997 -33.267 28.638 1.00 0.00 WAT +ATOM 43414 H2 TIP3 12368 34.997 -33.946 27.738 1.00 0.00 WAT +ATOM 43415 OH2 TIP3 12369 42.506 -28.146 19.600 1.00 0.00 WAT +ATOM 43416 H1 TIP3 12369 42.990 -27.654 20.284 1.00 0.00 WAT +ATOM 43417 H2 TIP3 12369 41.986 -27.451 19.178 1.00 0.00 WAT +ATOM 43418 OH2 TIP3 12370 37.135 -28.108 29.537 1.00 0.00 WAT +ATOM 43419 H1 TIP3 12370 37.022 -28.016 28.574 1.00 0.00 WAT +ATOM 43420 H2 TIP3 12370 36.222 -28.246 29.837 1.00 0.00 WAT +ATOM 43421 OH2 TIP3 12371 36.491 -34.632 17.955 1.00 0.00 WAT +ATOM 43422 H1 TIP3 12371 36.301 -33.871 17.378 1.00 0.00 WAT +ATOM 43423 H2 TIP3 12371 35.833 -35.274 17.659 1.00 0.00 WAT +ATOM 43424 OH2 TIP3 12372 32.573 -31.953 26.661 1.00 0.00 WAT +ATOM 43425 H1 TIP3 12372 32.132 -31.944 25.788 1.00 0.00 WAT +ATOM 43426 H2 TIP3 12372 32.694 -32.906 26.819 1.00 0.00 WAT +ATOM 43427 OH2 TIP3 12373 32.616 -29.021 23.587 1.00 0.00 WAT +ATOM 43428 H1 TIP3 12373 33.539 -29.303 23.679 1.00 0.00 WAT +ATOM 43429 H2 TIP3 12373 32.525 -28.423 24.343 1.00 0.00 WAT +ATOM 43430 OH2 TIP3 12374 41.727 -29.211 28.232 1.00 0.00 WAT +ATOM 43431 H1 TIP3 12374 41.799 -28.325 28.614 1.00 0.00 WAT +ATOM 43432 H2 TIP3 12374 40.816 -29.480 28.449 1.00 0.00 WAT +ATOM 43433 OH2 TIP3 12375 41.757 -25.331 18.113 1.00 0.00 WAT +ATOM 43434 H1 TIP3 12375 42.068 -25.376 17.198 1.00 0.00 WAT +ATOM 43435 H2 TIP3 12375 42.118 -24.501 18.445 1.00 0.00 WAT +ATOM 43436 OH2 TIP3 12376 35.729 -26.220 19.785 1.00 0.00 WAT +ATOM 43437 H1 TIP3 12376 35.886 -26.694 20.630 1.00 0.00 WAT +ATOM 43438 H2 TIP3 12376 34.917 -26.651 19.481 1.00 0.00 WAT +ATOM 43439 OH2 TIP3 12377 34.772 -30.439 27.888 1.00 0.00 WAT +ATOM 43440 H1 TIP3 12377 35.005 -30.895 28.719 1.00 0.00 WAT +ATOM 43441 H2 TIP3 12377 33.990 -30.930 27.576 1.00 0.00 WAT +ATOM 43442 OH2 TIP3 12378 37.951 -42.194 23.821 1.00 0.00 WAT +ATOM 43443 H1 TIP3 12378 37.105 -42.379 23.394 1.00 0.00 WAT +ATOM 43444 H2 TIP3 12378 37.761 -41.347 24.250 1.00 0.00 WAT +ATOM 43445 OH2 TIP3 12379 42.233 -42.908 27.434 1.00 0.00 WAT +ATOM 43446 H1 TIP3 12379 42.511 -43.560 28.119 1.00 0.00 WAT +ATOM 43447 H2 TIP3 12379 41.307 -42.792 27.681 1.00 0.00 WAT +ATOM 43448 OH2 TIP3 12380 42.274 -39.906 14.642 1.00 0.00 WAT +ATOM 43449 H1 TIP3 12380 41.610 -40.033 15.341 1.00 0.00 WAT +ATOM 43450 H2 TIP3 12380 41.890 -40.499 13.964 1.00 0.00 WAT +ATOM 43451 OH2 TIP3 12381 37.781 -37.145 25.088 1.00 0.00 WAT +ATOM 43452 H1 TIP3 12381 37.181 -37.015 25.840 1.00 0.00 WAT +ATOM 43453 H2 TIP3 12381 37.877 -36.236 24.729 1.00 0.00 WAT +ATOM 43454 OH2 TIP3 12382 37.743 -37.105 19.988 1.00 0.00 WAT +ATOM 43455 H1 TIP3 12382 36.786 -37.173 19.821 1.00 0.00 WAT +ATOM 43456 H2 TIP3 12382 38.091 -37.255 19.087 1.00 0.00 WAT +ATOM 43457 OH2 TIP3 12383 42.935 -36.823 18.872 1.00 0.00 WAT +ATOM 43458 H1 TIP3 12383 42.665 -35.892 18.754 1.00 0.00 WAT +ATOM 43459 H2 TIP3 12383 43.174 -37.071 17.976 1.00 0.00 WAT +ATOM 43460 OH2 TIP3 12384 42.500 -36.264 30.292 1.00 0.00 WAT +ATOM 43461 H1 TIP3 12384 41.934 -37.059 30.414 1.00 0.00 WAT +ATOM 43462 H2 TIP3 12384 43.372 -36.704 30.324 1.00 0.00 WAT +ATOM 43463 OH2 TIP3 12385 35.168 -36.965 26.924 1.00 0.00 WAT +ATOM 43464 H1 TIP3 12385 35.466 -36.688 27.797 1.00 0.00 WAT +ATOM 43465 H2 TIP3 12385 34.782 -37.842 27.119 1.00 0.00 WAT +ATOM 43466 OH2 TIP3 12386 38.607 -39.388 13.517 1.00 0.00 WAT +ATOM 43467 H1 TIP3 12386 38.208 -39.778 14.314 1.00 0.00 WAT +ATOM 43468 H2 TIP3 12386 37.844 -39.239 12.943 1.00 0.00 WAT +ATOM 43469 OH2 TIP3 12387 31.968 -39.556 20.566 1.00 0.00 WAT +ATOM 43470 H1 TIP3 12387 32.551 -39.567 21.349 1.00 0.00 WAT +ATOM 43471 H2 TIP3 12387 32.516 -39.930 19.865 1.00 0.00 WAT +ATOM 43472 OH2 TIP3 12388 33.579 -39.104 16.288 1.00 0.00 WAT +ATOM 43473 H1 TIP3 12388 34.107 -38.600 15.636 1.00 0.00 WAT +ATOM 43474 H2 TIP3 12388 32.857 -38.469 16.457 1.00 0.00 WAT +ATOM 43475 OH2 TIP3 12389 43.500 -35.723 26.342 1.00 0.00 WAT +ATOM 43476 H1 TIP3 12389 43.798 -36.376 25.674 1.00 0.00 WAT +ATOM 43477 H2 TIP3 12389 42.723 -36.173 26.693 1.00 0.00 WAT +ATOM 43478 OH2 TIP3 12390 40.472 -39.719 20.966 1.00 0.00 WAT +ATOM 43479 H1 TIP3 12390 39.553 -39.626 21.260 1.00 0.00 WAT +ATOM 43480 H2 TIP3 12390 40.949 -39.566 21.799 1.00 0.00 WAT +ATOM 43481 OH2 TIP3 12391 35.075 -38.270 19.684 1.00 0.00 WAT +ATOM 43482 H1 TIP3 12391 34.271 -37.984 19.214 1.00 0.00 WAT +ATOM 43483 H2 TIP3 12391 35.347 -39.076 19.204 1.00 0.00 WAT +ATOM 43484 OH2 TIP3 12392 38.645 -37.909 17.359 1.00 0.00 WAT +ATOM 43485 H1 TIP3 12392 39.615 -37.882 17.414 1.00 0.00 WAT +ATOM 43486 H2 TIP3 12392 38.434 -37.307 16.622 1.00 0.00 WAT +ATOM 43487 OH2 TIP3 12393 37.221 -36.700 15.108 1.00 0.00 WAT +ATOM 43488 H1 TIP3 12393 36.619 -36.938 14.385 1.00 0.00 WAT +ATOM 43489 H2 TIP3 12393 38.040 -36.530 14.613 1.00 0.00 WAT +ATOM 43490 OH2 TIP3 12394 35.755 -32.042 30.138 1.00 0.00 WAT +ATOM 43491 H1 TIP3 12394 36.478 -31.928 30.791 1.00 0.00 WAT +ATOM 43492 H2 TIP3 12394 35.006 -31.759 30.684 1.00 0.00 WAT +ATOM 43493 OH2 TIP3 12395 41.408 -37.358 22.388 1.00 0.00 WAT +ATOM 43494 H1 TIP3 12395 42.204 -37.704 21.966 1.00 0.00 WAT +ATOM 43495 H2 TIP3 12395 41.639 -37.429 23.329 1.00 0.00 WAT +ATOM 43496 OH2 TIP3 12396 36.677 -40.664 19.071 1.00 0.00 WAT +ATOM 43497 H1 TIP3 12396 36.218 -41.517 19.170 1.00 0.00 WAT +ATOM 43498 H2 TIP3 12396 37.505 -40.923 18.643 1.00 0.00 WAT +ATOM 43499 OH2 TIP3 12397 40.479 -38.587 25.128 1.00 0.00 WAT +ATOM 43500 H1 TIP3 12397 39.794 -37.917 24.960 1.00 0.00 WAT +ATOM 43501 H2 TIP3 12397 41.010 -38.158 25.819 1.00 0.00 WAT +ATOM 43502 OH2 TIP3 12398 40.732 -32.253 17.011 1.00 0.00 WAT +ATOM 43503 H1 TIP3 12398 39.948 -32.707 16.639 1.00 0.00 WAT +ATOM 43504 H2 TIP3 12398 40.490 -32.142 17.960 1.00 0.00 WAT +ATOM 43505 OH2 TIP3 12399 42.049 -32.240 28.241 1.00 0.00 WAT +ATOM 43506 H1 TIP3 12399 41.842 -32.332 29.174 1.00 0.00 WAT +ATOM 43507 H2 TIP3 12399 42.135 -31.281 28.122 1.00 0.00 WAT +ATOM 43508 OH2 TIP3 12400 35.785 -32.709 22.787 1.00 0.00 WAT +ATOM 43509 H1 TIP3 12400 36.345 -32.807 21.998 1.00 0.00 WAT +ATOM 43510 H2 TIP3 12400 35.899 -33.571 23.217 1.00 0.00 WAT +ATOM 43511 OH2 TIP3 12401 42.866 -30.818 15.970 1.00 0.00 WAT +ATOM 43512 H1 TIP3 12401 42.595 -29.928 16.274 1.00 0.00 WAT +ATOM 43513 H2 TIP3 12401 42.111 -31.353 16.294 1.00 0.00 WAT +ATOM 43514 OH2 TIP3 12402 33.050 -34.429 28.030 1.00 0.00 WAT +ATOM 43515 H1 TIP3 12402 33.260 -34.913 28.847 1.00 0.00 WAT +ATOM 43516 H2 TIP3 12402 32.469 -35.037 27.544 1.00 0.00 WAT +ATOM 43517 OH2 TIP3 12403 40.013 -34.938 30.072 1.00 0.00 WAT +ATOM 43518 H1 TIP3 12403 39.672 -35.227 29.209 1.00 0.00 WAT +ATOM 43519 H2 TIP3 12403 40.956 -35.177 29.989 1.00 0.00 WAT +ATOM 43520 OH2 TIP3 12404 38.152 -29.429 20.027 1.00 0.00 WAT +ATOM 43521 H1 TIP3 12404 38.580 -28.566 19.922 1.00 0.00 WAT +ATOM 43522 H2 TIP3 12404 37.233 -29.223 19.818 1.00 0.00 WAT +ATOM 43523 OH2 TIP3 12405 34.155 -34.627 14.657 1.00 0.00 WAT +ATOM 43524 H1 TIP3 12405 34.727 -33.942 15.049 1.00 0.00 WAT +ATOM 43525 H2 TIP3 12405 33.277 -34.354 14.985 1.00 0.00 WAT +ATOM 43526 OH2 TIP3 12406 39.945 -31.742 19.638 1.00 0.00 WAT +ATOM 43527 H1 TIP3 12406 39.681 -30.822 19.803 1.00 0.00 WAT +ATOM 43528 H2 TIP3 12406 39.231 -32.227 20.080 1.00 0.00 WAT +ATOM 43529 OH2 TIP3 12407 40.196 -27.430 26.056 1.00 0.00 WAT +ATOM 43530 H1 TIP3 12407 40.781 -26.719 25.717 1.00 0.00 WAT +ATOM 43531 H2 TIP3 12407 40.833 -27.962 26.554 1.00 0.00 WAT +ATOM 43532 OH2 TIP3 12408 38.591 -26.518 19.241 1.00 0.00 WAT +ATOM 43533 H1 TIP3 12408 37.638 -26.368 19.355 1.00 0.00 WAT +ATOM 43534 H2 TIP3 12408 38.964 -25.654 19.494 1.00 0.00 WAT +ATOM 43535 OH2 TIP3 12409 34.348 -39.590 27.682 1.00 0.00 WAT +ATOM 43536 H1 TIP3 12409 33.439 -39.411 27.356 1.00 0.00 WAT +ATOM 43537 H2 TIP3 12409 34.195 -40.463 28.105 1.00 0.00 WAT +ATOM 43538 OH2 TIP3 12410 34.160 -28.018 26.043 1.00 0.00 WAT +ATOM 43539 H1 TIP3 12410 34.421 -28.923 26.266 1.00 0.00 WAT +ATOM 43540 H2 TIP3 12410 34.237 -27.593 26.907 1.00 0.00 WAT +ATOM 43541 OH2 TIP3 12411 39.932 -29.326 13.088 1.00 0.00 WAT +ATOM 43542 H1 TIP3 12411 40.285 -30.084 12.584 1.00 0.00 WAT +ATOM 43543 H2 TIP3 12411 39.568 -29.781 13.867 1.00 0.00 WAT +ATOM 43544 OH2 TIP3 12412 38.849 -29.901 15.845 1.00 0.00 WAT +ATOM 43545 H1 TIP3 12412 39.341 -30.406 16.506 1.00 0.00 WAT +ATOM 43546 H2 TIP3 12412 38.987 -28.979 16.144 1.00 0.00 WAT +ATOM 43547 OH2 TIP3 12413 35.659 -32.414 16.189 1.00 0.00 WAT +ATOM 43548 H1 TIP3 12413 34.932 -32.026 16.716 1.00 0.00 WAT +ATOM 43549 H2 TIP3 12413 36.135 -31.613 15.913 1.00 0.00 WAT +ATOM 43550 OH2 TIP3 12414 43.288 -39.324 26.792 1.00 0.00 WAT +ATOM 43551 H1 TIP3 12414 43.934 -40.045 26.669 1.00 0.00 WAT +ATOM 43552 H2 TIP3 12414 42.676 -39.604 26.095 1.00 0.00 WAT +ATOM 43553 OH2 TIP3 12415 41.687 -28.228 16.369 1.00 0.00 WAT +ATOM 43554 H1 TIP3 12415 40.882 -27.719 16.569 1.00 0.00 WAT +ATOM 43555 H2 TIP3 12415 42.092 -27.695 15.679 1.00 0.00 WAT +ATOM 43556 OH2 TIP3 12416 41.178 -38.791 18.470 1.00 0.00 WAT +ATOM 43557 H1 TIP3 12416 41.863 -38.132 18.718 1.00 0.00 WAT +ATOM 43558 H2 TIP3 12416 40.849 -39.002 19.370 1.00 0.00 WAT +ATOM 43559 OH2 TIP3 12417 41.486 -37.624 27.752 1.00 0.00 WAT +ATOM 43560 H1 TIP3 12417 41.851 -37.035 28.424 1.00 0.00 WAT +ATOM 43561 H2 TIP3 12417 42.204 -38.279 27.621 1.00 0.00 WAT +ATOM 43562 OH2 TIP3 12418 41.999 -41.708 19.681 1.00 0.00 WAT +ATOM 43563 H1 TIP3 12418 41.721 -40.853 20.074 1.00 0.00 WAT +ATOM 43564 H2 TIP3 12418 42.717 -41.448 19.078 1.00 0.00 WAT +ATOM 43565 OH2 TIP3 12419 38.938 -27.169 16.415 1.00 0.00 WAT +ATOM 43566 H1 TIP3 12419 38.896 -26.346 15.886 1.00 0.00 WAT +ATOM 43567 H2 TIP3 12419 38.816 -26.833 17.324 1.00 0.00 WAT +ATOM 43568 OH2 TIP3 12420 37.664 -40.506 15.951 1.00 0.00 WAT +ATOM 43569 H1 TIP3 12420 37.670 -39.672 16.455 1.00 0.00 WAT +ATOM 43570 H2 TIP3 12420 38.565 -40.832 16.140 1.00 0.00 WAT +ATOM 43571 OH2 TIP3 12421 36.113 -29.591 14.954 1.00 0.00 WAT +ATOM 43572 H1 TIP3 12421 36.855 -29.121 15.371 1.00 0.00 WAT +ATOM 43573 H2 TIP3 12421 36.603 -30.107 14.294 1.00 0.00 WAT +ATOM 43574 OH2 TIP3 12422 34.231 -37.447 14.085 1.00 0.00 WAT +ATOM 43575 H1 TIP3 12422 34.354 -36.502 14.297 1.00 0.00 WAT +ATOM 43576 H2 TIP3 12422 33.376 -37.438 13.632 1.00 0.00 WAT +ATOM 43577 OH2 TIP3 12423 34.427 -42.414 23.058 1.00 0.00 WAT +ATOM 43578 H1 TIP3 12423 34.762 -42.410 22.152 1.00 0.00 WAT +ATOM 43579 H2 TIP3 12423 34.590 -43.346 23.278 1.00 0.00 WAT +ATOM 43580 OH2 TIP3 12424 34.049 -28.900 19.132 1.00 0.00 WAT +ATOM 43581 H1 TIP3 12424 33.276 -28.384 19.396 1.00 0.00 WAT +ATOM 43582 H2 TIP3 12424 34.415 -28.363 18.413 1.00 0.00 WAT +ATOM 43583 OH2 TIP3 12425 33.757 -26.297 30.176 1.00 0.00 WAT +ATOM 43584 H1 TIP3 12425 33.909 -26.131 31.121 1.00 0.00 WAT +ATOM 43585 H2 TIP3 12425 32.859 -26.650 30.162 1.00 0.00 WAT +ATOM 43586 OH2 TIP3 12426 38.154 -26.934 32.076 1.00 0.00 WAT +ATOM 43587 H1 TIP3 12426 38.830 -27.603 32.267 1.00 0.00 WAT +ATOM 43588 H2 TIP3 12426 37.906 -27.177 31.170 1.00 0.00 WAT +ATOM 43589 OH2 TIP3 12427 42.298 -27.683 13.421 1.00 0.00 WAT +ATOM 43590 H1 TIP3 12427 41.474 -28.213 13.408 1.00 0.00 WAT +ATOM 43591 H2 TIP3 12427 42.942 -28.398 13.271 1.00 0.00 WAT +ATOM 43592 OH2 TIP3 12428 33.145 -32.474 31.504 1.00 0.00 WAT +ATOM 43593 H1 TIP3 12428 33.491 -33.221 30.996 1.00 0.00 WAT +ATOM 43594 H2 TIP3 12428 32.562 -32.043 30.846 1.00 0.00 WAT +ATOM 43595 OH2 TIP3 12429 37.627 -31.918 13.422 1.00 0.00 WAT +ATOM 43596 H1 TIP3 12429 37.795 -32.519 14.167 1.00 0.00 WAT +ATOM 43597 H2 TIP3 12429 38.481 -31.963 12.952 1.00 0.00 WAT +ATOM 43598 OH2 TIP3 12430 40.080 -32.139 30.728 1.00 0.00 WAT +ATOM 43599 H1 TIP3 12430 39.789 -31.810 29.859 1.00 0.00 WAT +ATOM 43600 H2 TIP3 12430 40.150 -33.105 30.582 1.00 0.00 WAT +ATOM 43601 OH2 TIP3 12431 42.599 -30.596 12.976 1.00 0.00 WAT +ATOM 43602 H1 TIP3 12431 42.781 -30.501 13.928 1.00 0.00 WAT +ATOM 43603 H2 TIP3 12431 42.442 -31.553 12.914 1.00 0.00 WAT +ATOM 43604 OH2 TIP3 12432 34.112 -35.326 30.627 1.00 0.00 WAT +ATOM 43605 H1 TIP3 12432 34.924 -35.864 30.553 1.00 0.00 WAT +ATOM 43606 H2 TIP3 12432 34.222 -34.989 31.533 1.00 0.00 WAT +ATOM 43607 OH2 TIP3 12433 38.703 -33.863 15.733 1.00 0.00 WAT +ATOM 43608 H1 TIP3 12433 38.089 -34.368 16.285 1.00 0.00 WAT +ATOM 43609 H2 TIP3 12433 39.024 -34.554 15.120 1.00 0.00 WAT +ATOM 43610 OH2 TIP3 12434 37.949 -36.048 28.035 1.00 0.00 WAT +ATOM 43611 H1 TIP3 12434 37.393 -35.259 28.184 1.00 0.00 WAT +ATOM 43612 H2 TIP3 12434 38.540 -35.741 27.328 1.00 0.00 WAT +ATOM 43613 OH2 TIP3 12435 39.785 -35.852 14.043 1.00 0.00 WAT +ATOM 43614 H1 TIP3 12435 39.691 -35.791 13.075 1.00 0.00 WAT +ATOM 43615 H2 TIP3 12435 40.743 -35.732 14.150 1.00 0.00 WAT +ATOM 43616 OH2 TIP3 12436 42.838 -33.585 31.720 1.00 0.00 WAT +ATOM 43617 H1 TIP3 12436 43.546 -33.896 31.150 1.00 0.00 WAT +ATOM 43618 H2 TIP3 12436 42.664 -34.392 32.235 1.00 0.00 WAT +ATOM 43619 OH2 TIP3 12437 38.506 -38.803 29.146 1.00 0.00 WAT +ATOM 43620 H1 TIP3 12437 38.648 -39.429 28.418 1.00 0.00 WAT +ATOM 43621 H2 TIP3 12437 38.397 -37.966 28.660 1.00 0.00 WAT +ATOM 43622 OH2 TIP3 12438 38.899 -40.366 26.519 1.00 0.00 WAT +ATOM 43623 H1 TIP3 12438 39.429 -39.779 25.933 1.00 0.00 WAT +ATOM 43624 H2 TIP3 12438 37.990 -40.228 26.186 1.00 0.00 WAT +ATOM 43625 OH2 TIP3 12439 40.657 -34.931 26.896 1.00 0.00 WAT +ATOM 43626 H1 TIP3 12439 41.363 -34.921 26.238 1.00 0.00 WAT +ATOM 43627 H2 TIP3 12439 40.288 -34.040 26.776 1.00 0.00 WAT +ATOM 43628 OH2 TIP3 12440 36.660 -36.954 30.935 1.00 0.00 WAT +ATOM 43629 H1 TIP3 12440 36.209 -37.816 30.928 1.00 0.00 WAT +ATOM 43630 H2 TIP3 12440 37.494 -37.173 30.488 1.00 0.00 WAT +ATOM 43631 OH2 TIP3 12441 39.318 -42.727 27.778 1.00 0.00 WAT +ATOM 43632 H1 TIP3 12441 39.503 -41.857 27.366 1.00 0.00 WAT +ATOM 43633 H2 TIP3 12441 38.392 -42.815 27.526 1.00 0.00 WAT +ATOM 43634 OH2 TIP3 12442 41.048 -38.549 30.691 1.00 0.00 WAT +ATOM 43635 H1 TIP3 12442 40.701 -38.862 31.541 1.00 0.00 WAT +ATOM 43636 H2 TIP3 12442 40.298 -38.758 30.106 1.00 0.00 WAT +ATOM 43637 OH2 TIP3 12443 35.495 -39.564 30.829 1.00 0.00 WAT +ATOM 43638 H1 TIP3 12443 35.246 -40.160 30.103 1.00 0.00 WAT +ATOM 43639 H2 TIP3 12443 35.064 -39.981 31.590 1.00 0.00 WAT +ATOM 43640 OH2 TIP3 12444 40.514 -41.533 31.830 1.00 0.00 WAT +ATOM 43641 H1 TIP3 12444 40.265 -42.341 31.343 1.00 0.00 WAT +ATOM 43642 H2 TIP3 12444 39.692 -41.021 31.830 1.00 0.00 WAT +ATOM 43643 OH2 TIP3 12445 39.550 -24.586 15.143 1.00 0.00 WAT +ATOM 43644 H1 TIP3 12445 40.515 -24.577 15.197 1.00 0.00 WAT +ATOM 43645 H2 TIP3 12445 39.409 -24.166 14.285 1.00 0.00 WAT +ATOM 43646 OH2 TIP3 12446 33.344 -30.196 14.640 1.00 0.00 WAT +ATOM 43647 H1 TIP3 12446 34.300 -30.024 14.776 1.00 0.00 WAT +ATOM 43648 H2 TIP3 12446 33.356 -30.991 14.071 1.00 0.00 WAT +ATOM 43649 OH2 TIP3 12447 32.334 -25.001 19.383 1.00 0.00 WAT +ATOM 43650 H1 TIP3 12447 31.617 -25.380 18.836 1.00 0.00 WAT +ATOM 43651 H2 TIP3 12447 32.430 -25.690 20.072 1.00 0.00 WAT +ATOM 43652 OH2 TIP3 12448 32.731 -26.985 21.364 1.00 0.00 WAT +ATOM 43653 H1 TIP3 12448 32.431 -27.853 21.685 1.00 0.00 WAT +ATOM 43654 H2 TIP3 12448 33.052 -26.620 22.204 1.00 0.00 WAT +ATOM 43655 OH2 TIP3 12449 32.800 -33.675 23.774 1.00 0.00 WAT +ATOM 43656 H1 TIP3 12449 33.043 -33.595 22.836 1.00 0.00 WAT +ATOM 43657 H2 TIP3 12449 33.678 -33.860 24.169 1.00 0.00 WAT +ATOM 43658 OH2 TIP3 12450 32.583 -38.249 30.413 1.00 0.00 WAT +ATOM 43659 H1 TIP3 12450 33.483 -38.409 30.096 1.00 0.00 WAT +ATOM 43660 H2 TIP3 12450 32.164 -39.106 30.241 1.00 0.00 WAT +ATOM 43661 OH2 TIP3 12451 33.413 -39.914 22.990 1.00 0.00 WAT +ATOM 43662 H1 TIP3 12451 33.744 -40.835 23.090 1.00 0.00 WAT +ATOM 43663 H2 TIP3 12451 34.171 -39.403 23.330 1.00 0.00 WAT +ATOM 43664 OH2 TIP3 12452 32.030 -37.292 24.019 1.00 0.00 WAT +ATOM 43665 H1 TIP3 12452 32.596 -37.350 23.233 1.00 0.00 WAT +ATOM 43666 H2 TIP3 12452 32.414 -36.525 24.463 1.00 0.00 WAT +ATOM 43667 OH2 TIP3 12453 32.562 -41.018 18.061 1.00 0.00 WAT +ATOM 43668 H1 TIP3 12453 31.612 -40.940 17.862 1.00 0.00 WAT +ATOM 43669 H2 TIP3 12453 32.956 -40.335 17.479 1.00 0.00 WAT +ATOM 43670 OH2 TIP3 12454 32.300 -41.237 26.607 1.00 0.00 WAT +ATOM 43671 H1 TIP3 12454 32.335 -42.181 26.859 1.00 0.00 WAT +ATOM 43672 H2 TIP3 12454 32.138 -41.312 25.655 1.00 0.00 WAT +ATOM 43673 OH2 TIP3 12455 34.430 -29.279 30.936 1.00 0.00 WAT +ATOM 43674 H1 TIP3 12455 33.879 -28.876 30.245 1.00 0.00 WAT +ATOM 43675 H2 TIP3 12455 34.130 -28.813 31.724 1.00 0.00 WAT +ATOM 43676 OH2 TIP3 12456 37.417 -27.986 26.573 1.00 0.00 WAT +ATOM 43677 H1 TIP3 12456 37.075 -27.141 26.236 1.00 0.00 WAT +ATOM 43678 H2 TIP3 12456 38.371 -27.865 26.395 1.00 0.00 WAT +ATOM 43679 OH2 TIP3 12457 42.196 -26.342 29.466 1.00 0.00 WAT +ATOM 43680 H1 TIP3 12457 42.042 -26.712 30.350 1.00 0.00 WAT +ATOM 43681 H2 TIP3 12457 43.145 -26.130 29.532 1.00 0.00 WAT +ATOM 43682 OH2 TIP3 12458 34.721 -24.978 26.838 1.00 0.00 WAT +ATOM 43683 H1 TIP3 12458 34.025 -24.395 26.487 1.00 0.00 WAT +ATOM 43684 H2 TIP3 12458 34.478 -24.986 27.774 1.00 0.00 WAT +ATOM 43685 OH2 TIP3 12459 37.273 -25.214 25.494 1.00 0.00 WAT +ATOM 43686 H1 TIP3 12459 36.409 -25.069 25.931 1.00 0.00 WAT +ATOM 43687 H2 TIP3 12459 37.256 -24.540 24.797 1.00 0.00 WAT +ATOM 43688 OH2 TIP3 12460 41.964 -25.480 25.025 1.00 0.00 WAT +ATOM 43689 H1 TIP3 12460 41.783 -24.990 24.208 1.00 0.00 WAT +ATOM 43690 H2 TIP3 12460 42.576 -24.898 25.488 1.00 0.00 WAT +ATOM 43691 OH2 TIP3 12461 34.365 -26.214 23.834 1.00 0.00 WAT +ATOM 43692 H1 TIP3 12461 34.320 -26.685 24.697 1.00 0.00 WAT +ATOM 43693 H2 TIP3 12461 35.113 -26.685 23.418 1.00 0.00 WAT +ATOM 43694 OH2 TIP3 12462 36.375 -27.483 22.270 1.00 0.00 WAT +ATOM 43695 H1 TIP3 12462 36.208 -28.409 22.550 1.00 0.00 WAT +ATOM 43696 H2 TIP3 12462 37.280 -27.335 22.607 1.00 0.00 WAT +ATOM 43697 OH2 TIP3 12463 39.124 -26.989 23.175 1.00 0.00 WAT +ATOM 43698 H1 TIP3 12463 39.342 -27.910 22.950 1.00 0.00 WAT +ATOM 43699 H2 TIP3 12463 39.208 -27.017 24.142 1.00 0.00 WAT +ATOM 43700 OH2 TIP3 12464 42.552 -41.407 22.549 1.00 0.00 WAT +ATOM 43701 H1 TIP3 12464 41.787 -41.992 22.698 1.00 0.00 WAT +ATOM 43702 H2 TIP3 12464 42.910 -41.765 21.732 1.00 0.00 WAT +ATOM 43703 OH2 TIP3 12465 34.778 -42.834 19.805 1.00 0.00 WAT +ATOM 43704 H1 TIP3 12465 33.869 -43.058 19.572 1.00 0.00 WAT +ATOM 43705 H2 TIP3 12465 35.122 -43.659 20.159 1.00 0.00 WAT +ATOM 43706 OH2 TIP3 12466 33.376 -42.910 16.034 1.00 0.00 WAT +ATOM 43707 H1 TIP3 12466 33.823 -42.433 15.308 1.00 0.00 WAT +ATOM 43708 H2 TIP3 12466 32.991 -42.171 16.534 1.00 0.00 WAT +ATOM 43709 OH2 TIP3 12467 39.367 -42.523 19.814 1.00 0.00 WAT +ATOM 43710 H1 TIP3 12467 40.298 -42.238 19.908 1.00 0.00 WAT +ATOM 43711 H2 TIP3 12467 39.186 -42.878 20.692 1.00 0.00 WAT +ATOM 43712 OH2 TIP3 12468 33.813 -26.960 17.072 1.00 0.00 WAT +ATOM 43713 H1 TIP3 12468 33.159 -27.093 16.368 1.00 0.00 WAT +ATOM 43714 H2 TIP3 12468 33.774 -25.998 17.163 1.00 0.00 WAT +ATOM 43715 OH2 TIP3 12469 35.281 -41.275 14.466 1.00 0.00 WAT +ATOM 43716 H1 TIP3 12469 35.984 -41.609 13.880 1.00 0.00 WAT +ATOM 43717 H2 TIP3 12469 35.806 -40.738 15.087 1.00 0.00 WAT +ATOM 43718 OH2 TIP3 12470 40.498 -40.709 16.702 1.00 0.00 WAT +ATOM 43719 H1 TIP3 12470 40.646 -41.532 17.198 1.00 0.00 WAT +ATOM 43720 H2 TIP3 12470 40.622 -40.015 17.388 1.00 0.00 WAT +ATOM 43721 OH2 TIP3 12471 42.619 -25.301 15.152 1.00 0.00 WAT +ATOM 43722 H1 TIP3 12471 43.513 -24.950 14.991 1.00 0.00 WAT +ATOM 43723 H2 TIP3 12471 42.499 -25.917 14.407 1.00 0.00 WAT +ATOM 43724 OH2 TIP3 12472 34.389 -41.798 29.250 1.00 0.00 WAT +ATOM 43725 H1 TIP3 12472 33.973 -42.610 29.569 1.00 0.00 WAT +ATOM 43726 H2 TIP3 12472 35.285 -42.139 29.112 1.00 0.00 WAT +ATOM 43727 OH2 TIP3 12473 37.307 -42.779 31.912 1.00 0.00 WAT +ATOM 43728 H1 TIP3 12473 38.175 -43.053 31.535 1.00 0.00 WAT +ATOM 43729 H2 TIP3 12473 37.059 -43.576 32.392 1.00 0.00 WAT +ATOM 43730 OH2 TIP3 12474 35.265 -25.973 13.880 1.00 0.00 WAT +ATOM 43731 H1 TIP3 12474 34.986 -25.766 14.783 1.00 0.00 WAT +ATOM 43732 H2 TIP3 12474 35.989 -26.603 14.022 1.00 0.00 WAT +ATOM 43733 OH2 TIP3 12475 -31.591 -14.802 20.298 1.00 0.00 WAT +ATOM 43734 H1 TIP3 12475 -31.640 -13.834 20.349 1.00 0.00 WAT +ATOM 43735 H2 TIP3 12475 -32.354 -14.995 19.734 1.00 0.00 WAT +ATOM 43736 OH2 TIP3 12476 -32.729 -15.372 23.376 1.00 0.00 WAT +ATOM 43737 H1 TIP3 12476 -32.764 -15.950 24.155 1.00 0.00 WAT +ATOM 43738 H2 TIP3 12476 -33.002 -15.979 22.673 1.00 0.00 WAT +ATOM 43739 OH2 TIP3 12477 -40.269 -15.772 25.009 1.00 0.00 WAT +ATOM 43740 H1 TIP3 12477 -40.314 -16.502 25.654 1.00 0.00 WAT +ATOM 43741 H2 TIP3 12477 -39.573 -15.224 25.396 1.00 0.00 WAT +ATOM 43742 OH2 TIP3 12478 -29.042 -12.528 21.706 1.00 0.00 WAT +ATOM 43743 H1 TIP3 12478 -29.402 -13.312 22.147 1.00 0.00 WAT +ATOM 43744 H2 TIP3 12478 -28.787 -11.978 22.456 1.00 0.00 WAT +ATOM 43745 OH2 TIP3 12479 -39.520 -11.153 23.587 1.00 0.00 WAT +ATOM 43746 H1 TIP3 12479 -39.773 -12.078 23.432 1.00 0.00 WAT +ATOM 43747 H2 TIP3 12479 -38.618 -11.244 23.932 1.00 0.00 WAT +ATOM 43748 OH2 TIP3 12480 -42.155 -17.405 17.674 1.00 0.00 WAT +ATOM 43749 H1 TIP3 12480 -42.389 -16.638 18.214 1.00 0.00 WAT +ATOM 43750 H2 TIP3 12480 -42.962 -17.933 17.726 1.00 0.00 WAT +ATOM 43751 OH2 TIP3 12481 -42.064 -15.474 20.517 1.00 0.00 WAT +ATOM 43752 H1 TIP3 12481 -41.854 -16.001 21.304 1.00 0.00 WAT +ATOM 43753 H2 TIP3 12481 -41.257 -14.955 20.404 1.00 0.00 WAT +ATOM 43754 OH2 TIP3 12482 -31.712 -7.473 22.110 1.00 0.00 WAT +ATOM 43755 H1 TIP3 12482 -31.258 -8.318 22.140 1.00 0.00 WAT +ATOM 43756 H2 TIP3 12482 -32.176 -7.474 22.965 1.00 0.00 WAT +ATOM 43757 OH2 TIP3 12483 -34.332 -12.930 23.974 1.00 0.00 WAT +ATOM 43758 H1 TIP3 12483 -33.976 -13.639 23.412 1.00 0.00 WAT +ATOM 43759 H2 TIP3 12483 -33.549 -12.763 24.529 1.00 0.00 WAT +ATOM 43760 OH2 TIP3 12484 -25.613 -21.328 24.568 1.00 0.00 WAT +ATOM 43761 H1 TIP3 12484 -25.335 -20.727 25.279 1.00 0.00 WAT +ATOM 43762 H2 TIP3 12484 -24.987 -21.075 23.863 1.00 0.00 WAT +ATOM 43763 OH2 TIP3 12485 -30.982 -18.510 24.452 1.00 0.00 WAT +ATOM 43764 H1 TIP3 12485 -30.828 -19.468 24.512 1.00 0.00 WAT +ATOM 43765 H2 TIP3 12485 -31.050 -18.391 23.491 1.00 0.00 WAT +ATOM 43766 OH2 TIP3 12486 -38.002 -20.516 21.522 1.00 0.00 WAT +ATOM 43767 H1 TIP3 12486 -37.842 -19.666 21.065 1.00 0.00 WAT +ATOM 43768 H2 TIP3 12486 -38.336 -21.053 20.777 1.00 0.00 WAT +ATOM 43769 OH2 TIP3 12487 -30.136 -20.330 19.850 1.00 0.00 WAT +ATOM 43770 H1 TIP3 12487 -29.547 -20.760 20.509 1.00 0.00 WAT +ATOM 43771 H2 TIP3 12487 -29.482 -19.906 19.275 1.00 0.00 WAT +ATOM 43772 OH2 TIP3 12488 -41.400 -17.819 22.067 1.00 0.00 WAT +ATOM 43773 H1 TIP3 12488 -40.772 -18.194 22.708 1.00 0.00 WAT +ATOM 43774 H2 TIP3 12488 -41.168 -18.329 21.271 1.00 0.00 WAT +ATOM 43775 OH2 TIP3 12489 -35.940 -16.396 21.516 1.00 0.00 WAT +ATOM 43776 H1 TIP3 12489 -35.234 -16.945 21.909 1.00 0.00 WAT +ATOM 43777 H2 TIP3 12489 -36.441 -17.064 21.015 1.00 0.00 WAT +ATOM 43778 OH2 TIP3 12490 -24.865 -19.967 27.056 1.00 0.00 WAT +ATOM 43779 H1 TIP3 12490 -25.464 -19.253 26.773 1.00 0.00 WAT +ATOM 43780 H2 TIP3 12490 -25.066 -20.005 28.001 1.00 0.00 WAT +ATOM 43781 OH2 TIP3 12491 -39.183 -21.694 25.693 1.00 0.00 WAT +ATOM 43782 H1 TIP3 12491 -39.635 -21.256 24.959 1.00 0.00 WAT +ATOM 43783 H2 TIP3 12491 -39.812 -21.528 26.423 1.00 0.00 WAT +ATOM 43784 OH2 TIP3 12492 -31.769 -12.013 19.104 1.00 0.00 WAT +ATOM 43785 H1 TIP3 12492 -31.977 -12.246 18.192 1.00 0.00 WAT +ATOM 43786 H2 TIP3 12492 -32.197 -11.148 19.209 1.00 0.00 WAT +ATOM 43787 OH2 TIP3 12493 -36.623 -13.533 25.883 1.00 0.00 WAT +ATOM 43788 H1 TIP3 12493 -37.263 -12.888 26.229 1.00 0.00 WAT +ATOM 43789 H2 TIP3 12493 -35.936 -12.943 25.536 1.00 0.00 WAT +ATOM 43790 OH2 TIP3 12494 -28.323 -21.098 21.873 1.00 0.00 WAT +ATOM 43791 H1 TIP3 12494 -28.695 -21.708 22.522 1.00 0.00 WAT +ATOM 43792 H2 TIP3 12494 -27.777 -20.519 22.432 1.00 0.00 WAT +ATOM 43793 OH2 TIP3 12495 -39.578 -19.633 23.597 1.00 0.00 WAT +ATOM 43794 H1 TIP3 12495 -38.930 -19.076 24.078 1.00 0.00 WAT +ATOM 43795 H2 TIP3 12495 -38.997 -20.014 22.902 1.00 0.00 WAT +ATOM 43796 OH2 TIP3 12496 -41.844 -12.369 17.463 1.00 0.00 WAT +ATOM 43797 H1 TIP3 12496 -42.627 -12.148 16.922 1.00 0.00 WAT +ATOM 43798 H2 TIP3 12496 -41.889 -11.713 18.182 1.00 0.00 WAT +ATOM 43799 OH2 TIP3 12497 -28.479 -10.134 23.464 1.00 0.00 WAT +ATOM 43800 H1 TIP3 12497 -29.330 -10.374 23.905 1.00 0.00 WAT +ATOM 43801 H2 TIP3 12497 -28.048 -9.621 24.161 1.00 0.00 WAT +ATOM 43802 OH2 TIP3 12498 -28.184 -21.943 25.721 1.00 0.00 WAT +ATOM 43803 H1 TIP3 12498 -28.953 -21.566 25.253 1.00 0.00 WAT +ATOM 43804 H2 TIP3 12498 -27.455 -21.762 25.097 1.00 0.00 WAT +ATOM 43805 OH2 TIP3 12499 -35.054 -24.237 22.772 1.00 0.00 WAT +ATOM 43806 H1 TIP3 12499 -35.281 -25.184 22.711 1.00 0.00 WAT +ATOM 43807 H2 TIP3 12499 -35.879 -23.859 23.142 1.00 0.00 WAT +ATOM 43808 OH2 TIP3 12500 -28.821 -10.620 19.665 1.00 0.00 WAT +ATOM 43809 H1 TIP3 12500 -29.066 -10.973 18.790 1.00 0.00 WAT +ATOM 43810 H2 TIP3 12500 -28.971 -11.435 20.196 1.00 0.00 WAT +ATOM 43811 OH2 TIP3 12501 -27.254 -12.152 27.855 1.00 0.00 WAT +ATOM 43812 H1 TIP3 12501 -27.312 -12.836 27.160 1.00 0.00 WAT +ATOM 43813 H2 TIP3 12501 -26.983 -11.360 27.370 1.00 0.00 WAT +ATOM 43814 OH2 TIP3 12502 -32.946 -15.270 17.556 1.00 0.00 WAT +ATOM 43815 H1 TIP3 12502 -33.614 -14.697 17.138 1.00 0.00 WAT +ATOM 43816 H2 TIP3 12502 -32.230 -15.253 16.898 1.00 0.00 WAT +ATOM 43817 OH2 TIP3 12503 -32.675 -17.119 14.652 1.00 0.00 WAT +ATOM 43818 H1 TIP3 12503 -31.954 -16.781 15.213 1.00 0.00 WAT +ATOM 43819 H2 TIP3 12503 -32.174 -17.673 14.036 1.00 0.00 WAT +ATOM 43820 OH2 TIP3 12504 -25.462 -16.027 25.808 1.00 0.00 WAT +ATOM 43821 H1 TIP3 12504 -26.167 -15.362 25.903 1.00 0.00 WAT +ATOM 43822 H2 TIP3 12504 -24.979 -15.694 25.027 1.00 0.00 WAT +ATOM 43823 OH2 TIP3 12505 -29.437 -15.279 18.615 1.00 0.00 WAT +ATOM 43824 H1 TIP3 12505 -30.126 -15.092 19.292 1.00 0.00 WAT +ATOM 43825 H2 TIP3 12505 -28.838 -15.862 19.118 1.00 0.00 WAT +ATOM 43826 OH2 TIP3 12506 -29.608 -16.745 27.463 1.00 0.00 WAT +ATOM 43827 H1 TIP3 12506 -29.557 -15.926 27.983 1.00 0.00 WAT +ATOM 43828 H2 TIP3 12506 -30.283 -16.469 26.816 1.00 0.00 WAT +ATOM 43829 OH2 TIP3 12507 -37.802 -14.500 20.385 1.00 0.00 WAT +ATOM 43830 H1 TIP3 12507 -38.150 -14.953 19.593 1.00 0.00 WAT +ATOM 43831 H2 TIP3 12507 -37.184 -15.161 20.745 1.00 0.00 WAT +ATOM 43832 OH2 TIP3 12508 -36.449 -11.101 23.080 1.00 0.00 WAT +ATOM 43833 H1 TIP3 12508 -36.547 -11.568 22.242 1.00 0.00 WAT +ATOM 43834 H2 TIP3 12508 -35.714 -11.588 23.498 1.00 0.00 WAT +ATOM 43835 OH2 TIP3 12509 -37.238 -15.607 23.970 1.00 0.00 WAT +ATOM 43836 H1 TIP3 12509 -36.636 -15.573 23.203 1.00 0.00 WAT +ATOM 43837 H2 TIP3 12509 -36.894 -14.904 24.553 1.00 0.00 WAT +ATOM 43838 OH2 TIP3 12510 -31.098 -10.227 24.485 1.00 0.00 WAT +ATOM 43839 H1 TIP3 12510 -31.334 -9.542 25.140 1.00 0.00 WAT +ATOM 43840 H2 TIP3 12510 -31.504 -11.023 24.882 1.00 0.00 WAT +ATOM 43841 OH2 TIP3 12511 -30.486 -15.769 16.033 1.00 0.00 WAT +ATOM 43842 H1 TIP3 12511 -29.986 -15.561 16.850 1.00 0.00 WAT +ATOM 43843 H2 TIP3 12511 -29.937 -15.329 15.343 1.00 0.00 WAT +ATOM 43844 OH2 TIP3 12512 -39.556 -15.156 27.938 1.00 0.00 WAT +ATOM 43845 H1 TIP3 12512 -39.425 -14.446 28.597 1.00 0.00 WAT +ATOM 43846 H2 TIP3 12512 -40.512 -15.064 27.778 1.00 0.00 WAT +ATOM 43847 OH2 TIP3 12513 -32.743 -9.086 19.642 1.00 0.00 WAT +ATOM 43848 H1 TIP3 12513 -32.728 -8.810 20.565 1.00 0.00 WAT +ATOM 43849 H2 TIP3 12513 -33.481 -8.562 19.290 1.00 0.00 WAT +ATOM 43850 OH2 TIP3 12514 -27.051 -24.110 15.592 1.00 0.00 WAT +ATOM 43851 H1 TIP3 12514 -27.913 -23.987 16.025 1.00 0.00 WAT +ATOM 43852 H2 TIP3 12514 -26.683 -23.211 15.608 1.00 0.00 WAT +ATOM 43853 OH2 TIP3 12515 -38.944 -15.781 17.957 1.00 0.00 WAT +ATOM 43854 H1 TIP3 12515 -39.144 -15.021 17.387 1.00 0.00 WAT +ATOM 43855 H2 TIP3 12515 -39.607 -16.426 17.670 1.00 0.00 WAT +ATOM 43856 OH2 TIP3 12516 -42.731 -12.911 26.506 1.00 0.00 WAT +ATOM 43857 H1 TIP3 12516 -42.909 -13.254 25.619 1.00 0.00 WAT +ATOM 43858 H2 TIP3 12516 -42.961 -13.668 27.066 1.00 0.00 WAT +ATOM 43859 OH2 TIP3 12517 -42.806 -10.150 23.440 1.00 0.00 WAT +ATOM 43860 H1 TIP3 12517 -41.977 -10.590 23.668 1.00 0.00 WAT +ATOM 43861 H2 TIP3 12517 -43.005 -9.679 24.259 1.00 0.00 WAT +ATOM 43862 OH2 TIP3 12518 -24.435 -9.562 29.364 1.00 0.00 WAT +ATOM 43863 H1 TIP3 12518 -24.526 -10.520 29.217 1.00 0.00 WAT +ATOM 43864 H2 TIP3 12518 -25.339 -9.330 29.672 1.00 0.00 WAT +ATOM 43865 OH2 TIP3 12519 -33.915 -10.469 28.208 1.00 0.00 WAT +ATOM 43866 H1 TIP3 12519 -33.830 -9.532 28.446 1.00 0.00 WAT +ATOM 43867 H2 TIP3 12519 -34.884 -10.442 28.009 1.00 0.00 WAT +ATOM 43868 OH2 TIP3 12520 -33.642 -6.411 18.195 1.00 0.00 WAT +ATOM 43869 H1 TIP3 12520 -33.467 -6.503 17.250 1.00 0.00 WAT +ATOM 43870 H2 TIP3 12520 -33.336 -5.517 18.411 1.00 0.00 WAT +ATOM 43871 OH2 TIP3 12521 -39.760 -7.402 19.798 1.00 0.00 WAT +ATOM 43872 H1 TIP3 12521 -39.513 -7.831 20.644 1.00 0.00 WAT +ATOM 43873 H2 TIP3 12521 -40.554 -7.916 19.581 1.00 0.00 WAT +ATOM 43874 OH2 TIP3 12522 -30.065 -7.410 15.058 1.00 0.00 WAT +ATOM 43875 H1 TIP3 12522 -29.694 -8.185 14.609 1.00 0.00 WAT +ATOM 43876 H2 TIP3 12522 -30.018 -7.695 15.985 1.00 0.00 WAT +ATOM 43877 OH2 TIP3 12523 -30.712 -7.577 18.116 1.00 0.00 WAT +ATOM 43878 H1 TIP3 12523 -31.674 -7.591 18.256 1.00 0.00 WAT +ATOM 43879 H2 TIP3 12523 -30.487 -8.414 18.543 1.00 0.00 WAT +ATOM 43880 OH2 TIP3 12524 -27.651 -18.203 29.783 1.00 0.00 WAT +ATOM 43881 H1 TIP3 12524 -28.147 -17.817 29.048 1.00 0.00 WAT +ATOM 43882 H2 TIP3 12524 -27.590 -19.138 29.504 1.00 0.00 WAT +ATOM 43883 OH2 TIP3 12525 -40.337 -11.722 27.482 1.00 0.00 WAT +ATOM 43884 H1 TIP3 12525 -40.046 -11.914 28.385 1.00 0.00 WAT +ATOM 43885 H2 TIP3 12525 -41.222 -12.114 27.405 1.00 0.00 WAT +ATOM 43886 OH2 TIP3 12526 -37.483 -23.086 23.683 1.00 0.00 WAT +ATOM 43887 H1 TIP3 12526 -38.305 -23.174 23.168 1.00 0.00 WAT +ATOM 43888 H2 TIP3 12526 -37.724 -22.351 24.269 1.00 0.00 WAT +ATOM 43889 OH2 TIP3 12527 -33.112 -23.488 27.361 1.00 0.00 WAT +ATOM 43890 H1 TIP3 12527 -32.584 -24.053 27.959 1.00 0.00 WAT +ATOM 43891 H2 TIP3 12527 -34.012 -23.854 27.445 1.00 0.00 WAT +ATOM 43892 OH2 TIP3 12528 -29.944 -19.709 27.837 1.00 0.00 WAT +ATOM 43893 H1 TIP3 12528 -30.553 -19.870 28.582 1.00 0.00 WAT +ATOM 43894 H2 TIP3 12528 -30.019 -18.751 27.688 1.00 0.00 WAT +ATOM 43895 OH2 TIP3 12529 -28.798 -14.793 13.981 1.00 0.00 WAT +ATOM 43896 H1 TIP3 12529 -28.970 -14.985 13.042 1.00 0.00 WAT +ATOM 43897 H2 TIP3 12529 -27.880 -14.513 13.956 1.00 0.00 WAT +ATOM 43898 OH2 TIP3 12530 -33.328 -20.972 14.589 1.00 0.00 WAT +ATOM 43899 H1 TIP3 12530 -33.791 -21.149 15.420 1.00 0.00 WAT +ATOM 43900 H2 TIP3 12530 -33.697 -21.671 14.022 1.00 0.00 WAT +ATOM 43901 OH2 TIP3 12531 -37.629 -18.270 25.076 1.00 0.00 WAT +ATOM 43902 H1 TIP3 12531 -38.212 -18.172 25.847 1.00 0.00 WAT +ATOM 43903 H2 TIP3 12531 -37.540 -17.347 24.759 1.00 0.00 WAT +ATOM 43904 OH2 TIP3 12532 -37.689 -18.235 19.968 1.00 0.00 WAT +ATOM 43905 H1 TIP3 12532 -38.642 -18.281 19.775 1.00 0.00 WAT +ATOM 43906 H2 TIP3 12532 -37.319 -18.403 19.079 1.00 0.00 WAT +ATOM 43907 OH2 TIP3 12533 -32.074 -17.645 18.758 1.00 0.00 WAT +ATOM 43908 H1 TIP3 12533 -32.480 -16.832 18.389 1.00 0.00 WAT +ATOM 43909 H2 TIP3 12533 -31.377 -17.824 18.102 1.00 0.00 WAT +ATOM 43910 OH2 TIP3 12534 -32.884 -17.464 30.109 1.00 0.00 WAT +ATOM 43911 H1 TIP3 12534 -33.377 -18.226 30.470 1.00 0.00 WAT +ATOM 43912 H2 TIP3 12534 -32.002 -17.592 30.505 1.00 0.00 WAT +ATOM 43913 OH2 TIP3 12535 -31.215 -18.256 21.525 1.00 0.00 WAT +ATOM 43914 H1 TIP3 12535 -31.512 -17.697 20.780 1.00 0.00 WAT +ATOM 43915 H2 TIP3 12535 -30.984 -19.067 21.027 1.00 0.00 WAT +ATOM 43916 OH2 TIP3 12536 -40.227 -18.155 26.904 1.00 0.00 WAT +ATOM 43917 H1 TIP3 12536 -40.018 -17.709 27.734 1.00 0.00 WAT +ATOM 43918 H2 TIP3 12536 -40.502 -19.035 27.214 1.00 0.00 WAT +ATOM 43919 OH2 TIP3 12537 -36.885 -20.475 13.546 1.00 0.00 WAT +ATOM 43920 H1 TIP3 12537 -37.255 -20.923 14.330 1.00 0.00 WAT +ATOM 43921 H2 TIP3 12537 -37.643 -20.410 12.955 1.00 0.00 WAT +ATOM 43922 OH2 TIP3 12538 -43.219 -20.537 20.516 1.00 0.00 WAT +ATOM 43923 H1 TIP3 12538 -43.109 -20.735 21.464 1.00 0.00 WAT +ATOM 43924 H2 TIP3 12538 -42.738 -21.263 20.109 1.00 0.00 WAT +ATOM 43925 OH2 TIP3 12539 -42.096 -20.135 16.393 1.00 0.00 WAT +ATOM 43926 H1 TIP3 12539 -41.468 -19.841 15.704 1.00 0.00 WAT +ATOM 43927 H2 TIP3 12539 -42.894 -19.681 16.109 1.00 0.00 WAT +ATOM 43928 OH2 TIP3 12540 -32.134 -16.572 26.012 1.00 0.00 WAT +ATOM 43929 H1 TIP3 12540 -31.703 -17.291 25.496 1.00 0.00 WAT +ATOM 43930 H2 TIP3 12540 -32.527 -17.075 26.743 1.00 0.00 WAT +ATOM 43931 OH2 TIP3 12541 -34.904 -20.623 21.007 1.00 0.00 WAT +ATOM 43932 H1 TIP3 12541 -35.846 -20.685 21.235 1.00 0.00 WAT +ATOM 43933 H2 TIP3 12541 -34.482 -20.826 21.859 1.00 0.00 WAT +ATOM 43934 OH2 TIP3 12542 -40.420 -19.366 19.625 1.00 0.00 WAT +ATOM 43935 H1 TIP3 12542 -41.145 -19.244 18.998 1.00 0.00 WAT +ATOM 43936 H2 TIP3 12542 -40.014 -20.193 19.297 1.00 0.00 WAT +ATOM 43937 OH2 TIP3 12543 -36.721 -19.052 17.369 1.00 0.00 WAT +ATOM 43938 H1 TIP3 12543 -35.748 -19.011 17.420 1.00 0.00 WAT +ATOM 43939 H2 TIP3 12543 -36.937 -18.462 16.627 1.00 0.00 WAT +ATOM 43940 OH2 TIP3 12544 -30.517 -21.486 24.029 1.00 0.00 WAT +ATOM 43941 H1 TIP3 12544 -31.174 -21.479 24.758 1.00 0.00 WAT +ATOM 43942 H2 TIP3 12544 -31.072 -21.827 23.307 1.00 0.00 WAT +ATOM 43943 OH2 TIP3 12545 -38.258 -17.777 15.125 1.00 0.00 WAT +ATOM 43944 H1 TIP3 12545 -38.827 -18.140 14.431 1.00 0.00 WAT +ATOM 43945 H2 TIP3 12545 -37.436 -17.608 14.631 1.00 0.00 WAT +ATOM 43946 OH2 TIP3 12546 -27.511 -5.717 30.678 1.00 0.00 WAT +ATOM 43947 H1 TIP3 12546 -27.284 -5.265 29.846 1.00 0.00 WAT +ATOM 43948 H2 TIP3 12546 -26.809 -5.405 31.274 1.00 0.00 WAT +ATOM 43949 OH2 TIP3 12547 -39.533 -13.224 30.142 1.00 0.00 WAT +ATOM 43950 H1 TIP3 12547 -38.925 -13.032 30.884 1.00 0.00 WAT +ATOM 43951 H2 TIP3 12547 -40.384 -12.985 30.563 1.00 0.00 WAT +ATOM 43952 OH2 TIP3 12548 -33.894 -18.083 22.828 1.00 0.00 WAT +ATOM 43953 H1 TIP3 12548 -33.159 -18.506 22.357 1.00 0.00 WAT +ATOM 43954 H2 TIP3 12548 -34.047 -18.706 23.566 1.00 0.00 WAT +ATOM 43955 OH2 TIP3 12549 -38.736 -21.714 19.078 1.00 0.00 WAT +ATOM 43956 H1 TIP3 12549 -39.155 -22.584 19.115 1.00 0.00 WAT +ATOM 43957 H2 TIP3 12549 -37.924 -21.913 18.587 1.00 0.00 WAT +ATOM 43958 OH2 TIP3 12550 -34.930 -19.635 25.063 1.00 0.00 WAT +ATOM 43959 H1 TIP3 12550 -35.695 -19.036 25.068 1.00 0.00 WAT +ATOM 43960 H2 TIP3 12550 -34.433 -19.364 25.859 1.00 0.00 WAT +ATOM 43961 OH2 TIP3 12551 -34.808 -13.187 16.959 1.00 0.00 WAT +ATOM 43962 H1 TIP3 12551 -35.548 -13.730 16.610 1.00 0.00 WAT +ATOM 43963 H2 TIP3 12551 -34.971 -13.203 17.929 1.00 0.00 WAT +ATOM 43964 OH2 TIP3 12552 -27.560 -14.034 25.714 1.00 0.00 WAT +ATOM 43965 H1 TIP3 12552 -27.054 -13.573 25.015 1.00 0.00 WAT +ATOM 43966 H2 TIP3 12552 -28.402 -14.234 25.256 1.00 0.00 WAT +ATOM 43967 OH2 TIP3 12553 -30.635 -20.458 14.808 1.00 0.00 WAT +ATOM 43968 H1 TIP3 12553 -31.611 -20.422 14.703 1.00 0.00 WAT +ATOM 43969 H2 TIP3 12553 -30.433 -19.661 15.332 1.00 0.00 WAT +ATOM 43970 OH2 TIP3 12554 -33.105 -13.162 28.259 1.00 0.00 WAT +ATOM 43971 H1 TIP3 12554 -33.429 -13.488 29.109 1.00 0.00 WAT +ATOM 43972 H2 TIP3 12554 -33.455 -12.246 28.260 1.00 0.00 WAT +ATOM 43973 OH2 TIP3 12555 -29.945 -18.531 16.834 1.00 0.00 WAT +ATOM 43974 H1 TIP3 12555 -29.055 -18.744 17.177 1.00 0.00 WAT +ATOM 43975 H2 TIP3 12555 -29.782 -17.722 16.320 1.00 0.00 WAT +ATOM 43976 OH2 TIP3 12556 -39.831 -14.000 22.628 1.00 0.00 WAT +ATOM 43977 H1 TIP3 12556 -39.099 -14.001 21.987 1.00 0.00 WAT +ATOM 43978 H2 TIP3 12556 -39.604 -14.752 23.200 1.00 0.00 WAT +ATOM 43979 OH2 TIP3 12557 -32.355 -11.880 15.916 1.00 0.00 WAT +ATOM 43980 H1 TIP3 12557 -32.627 -11.026 16.293 1.00 0.00 WAT +ATOM 43981 H2 TIP3 12557 -33.111 -12.449 16.146 1.00 0.00 WAT +ATOM 43982 OH2 TIP3 12558 -42.438 -15.401 28.302 1.00 0.00 WAT +ATOM 43983 H1 TIP3 12558 -42.319 -16.026 29.039 1.00 0.00 WAT +ATOM 43984 H2 TIP3 12558 -42.899 -15.954 27.634 1.00 0.00 WAT +ATOM 43985 OH2 TIP3 12559 -35.405 -16.037 30.051 1.00 0.00 WAT +ATOM 43986 H1 TIP3 12559 -35.813 -16.313 29.212 1.00 0.00 WAT +ATOM 43987 H2 TIP3 12559 -34.480 -16.312 29.917 1.00 0.00 WAT +ATOM 43988 OH2 TIP3 12560 -30.924 -10.564 27.747 1.00 0.00 WAT +ATOM 43989 H1 TIP3 12560 -31.896 -10.567 27.705 1.00 0.00 WAT +ATOM 43990 H2 TIP3 12560 -30.775 -10.381 28.690 1.00 0.00 WAT +ATOM 43991 OH2 TIP3 12561 -25.389 -18.507 16.533 1.00 0.00 WAT +ATOM 43992 H1 TIP3 12561 -25.881 -18.767 15.731 1.00 0.00 WAT +ATOM 43993 H2 TIP3 12561 -25.237 -17.571 16.304 1.00 0.00 WAT +ATOM 43994 OH2 TIP3 12562 -24.901 -12.543 29.335 1.00 0.00 WAT +ATOM 43995 H1 TIP3 12562 -25.839 -12.329 29.154 1.00 0.00 WAT +ATOM 43996 H2 TIP3 12562 -24.567 -12.734 28.436 1.00 0.00 WAT +ATOM 43997 OH2 TIP3 12563 -26.953 -10.015 16.664 1.00 0.00 WAT +ATOM 43998 H1 TIP3 12563 -27.231 -10.881 16.993 1.00 0.00 WAT +ATOM 43999 H2 TIP3 12563 -26.607 -10.244 15.795 1.00 0.00 WAT +ATOM 44000 OH2 TIP3 12564 -29.865 -14.630 23.990 1.00 0.00 WAT +ATOM 44001 H1 TIP3 12564 -30.805 -14.782 23.773 1.00 0.00 WAT +ATOM 44002 H2 TIP3 12564 -29.453 -15.378 23.509 1.00 0.00 WAT +ATOM 44003 OH2 TIP3 12565 -37.259 -10.588 19.931 1.00 0.00 WAT +ATOM 44004 H1 TIP3 12565 -36.877 -9.699 19.966 1.00 0.00 WAT +ATOM 44005 H2 TIP3 12565 -38.202 -10.393 19.849 1.00 0.00 WAT +ATOM 44006 OH2 TIP3 12566 -41.558 -15.590 14.749 1.00 0.00 WAT +ATOM 44007 H1 TIP3 12566 -40.809 -15.082 15.121 1.00 0.00 WAT +ATOM 44008 H2 TIP3 12566 -42.282 -14.976 14.921 1.00 0.00 WAT +ATOM 44009 OH2 TIP3 12567 -35.420 -12.851 19.706 1.00 0.00 WAT +ATOM 44010 H1 TIP3 12567 -35.797 -11.960 19.799 1.00 0.00 WAT +ATOM 44011 H2 TIP3 12567 -36.131 -13.390 20.089 1.00 0.00 WAT +ATOM 44012 OH2 TIP3 12568 -36.801 -7.649 19.232 1.00 0.00 WAT +ATOM 44013 H1 TIP3 12568 -37.757 -7.556 19.364 1.00 0.00 WAT +ATOM 44014 H2 TIP3 12568 -36.475 -6.773 19.506 1.00 0.00 WAT +ATOM 44015 OH2 TIP3 12569 -31.845 -12.852 25.580 1.00 0.00 WAT +ATOM 44016 H1 TIP3 12569 -32.166 -13.081 26.473 1.00 0.00 WAT +ATOM 44017 H2 TIP3 12569 -31.139 -13.504 25.450 1.00 0.00 WAT +ATOM 44018 OH2 TIP3 12570 -29.756 -11.303 14.542 1.00 0.00 WAT +ATOM 44019 H1 TIP3 12570 -29.228 -11.794 15.185 1.00 0.00 WAT +ATOM 44020 H2 TIP3 12570 -30.643 -11.624 14.767 1.00 0.00 WAT +ATOM 44021 OH2 TIP3 12571 -28.891 -8.333 27.951 1.00 0.00 WAT +ATOM 44022 H1 TIP3 12571 -29.700 -8.761 27.605 1.00 0.00 WAT +ATOM 44023 H2 TIP3 12571 -28.824 -7.535 27.397 1.00 0.00 WAT +ATOM 44024 OH2 TIP3 12572 -40.997 -20.844 27.713 1.00 0.00 WAT +ATOM 44025 H1 TIP3 12572 -41.853 -20.485 27.414 1.00 0.00 WAT +ATOM 44026 H2 TIP3 12572 -41.225 -21.709 28.099 1.00 0.00 WAT +ATOM 44027 OH2 TIP3 12573 -28.664 -12.719 17.041 1.00 0.00 WAT +ATOM 44028 H1 TIP3 12573 -29.043 -13.495 17.490 1.00 0.00 WAT +ATOM 44029 H2 TIP3 12573 -27.716 -12.955 17.033 1.00 0.00 WAT +ATOM 44030 OH2 TIP3 12574 -41.266 -9.219 26.246 1.00 0.00 WAT +ATOM 44031 H1 TIP3 12574 -40.904 -10.122 26.278 1.00 0.00 WAT +ATOM 44032 H2 TIP3 12574 -40.751 -8.827 26.962 1.00 0.00 WAT +ATOM 44033 OH2 TIP3 12575 -35.446 -10.488 13.111 1.00 0.00 WAT +ATOM 44034 H1 TIP3 12575 -35.159 -11.233 12.550 1.00 0.00 WAT +ATOM 44035 H2 TIP3 12575 -35.878 -10.961 13.841 1.00 0.00 WAT +ATOM 44036 OH2 TIP3 12576 -36.644 -11.003 15.820 1.00 0.00 WAT +ATOM 44037 H1 TIP3 12576 -36.129 -11.549 16.433 1.00 0.00 WAT +ATOM 44038 H2 TIP3 12576 -36.485 -10.096 16.151 1.00 0.00 WAT +ATOM 44039 OH2 TIP3 12577 -39.877 -13.587 16.129 1.00 0.00 WAT +ATOM 44040 H1 TIP3 12577 -40.560 -13.169 16.707 1.00 0.00 WAT +ATOM 44041 H2 TIP3 12577 -39.363 -12.798 15.896 1.00 0.00 WAT +ATOM 44042 OH2 TIP3 12578 -32.115 -21.067 26.225 1.00 0.00 WAT +ATOM 44043 H1 TIP3 12578 -31.476 -20.814 26.908 1.00 0.00 WAT +ATOM 44044 H2 TIP3 12578 -32.595 -21.810 26.641 1.00 0.00 WAT +ATOM 44045 OH2 TIP3 12579 -31.499 -21.621 17.471 1.00 0.00 WAT +ATOM 44046 H1 TIP3 12579 -31.272 -21.138 16.658 1.00 0.00 WAT +ATOM 44047 H2 TIP3 12579 -30.998 -21.131 18.144 1.00 0.00 WAT +ATOM 44048 OH2 TIP3 12580 -33.592 -9.179 16.484 1.00 0.00 WAT +ATOM 44049 H1 TIP3 12580 -34.520 -8.887 16.523 1.00 0.00 WAT +ATOM 44050 H2 TIP3 12580 -33.356 -8.988 15.560 1.00 0.00 WAT +ATOM 44051 OH2 TIP3 12581 -34.069 -19.646 18.416 1.00 0.00 WAT +ATOM 44052 H1 TIP3 12581 -33.297 -19.056 18.536 1.00 0.00 WAT +ATOM 44053 H2 TIP3 12581 -34.334 -19.811 19.341 1.00 0.00 WAT +ATOM 44054 OH2 TIP3 12582 -33.670 -18.660 27.574 1.00 0.00 WAT +ATOM 44055 H1 TIP3 12582 -33.591 -18.182 28.418 1.00 0.00 WAT +ATOM 44056 H2 TIP3 12582 -33.173 -19.467 27.762 1.00 0.00 WAT +ATOM 44057 OH2 TIP3 12583 -33.462 -22.630 19.360 1.00 0.00 WAT +ATOM 44058 H1 TIP3 12583 -33.654 -21.930 20.012 1.00 0.00 WAT +ATOM 44059 H2 TIP3 12583 -32.730 -22.222 18.852 1.00 0.00 WAT +ATOM 44060 OH2 TIP3 12584 -36.391 -8.294 16.435 1.00 0.00 WAT +ATOM 44061 H1 TIP3 12584 -36.572 -7.507 15.889 1.00 0.00 WAT +ATOM 44062 H2 TIP3 12584 -36.574 -7.964 17.337 1.00 0.00 WAT +ATOM 44063 OH2 TIP3 12585 -37.749 -21.631 15.955 1.00 0.00 WAT +ATOM 44064 H1 TIP3 12585 -37.641 -20.817 16.476 1.00 0.00 WAT +ATOM 44065 H2 TIP3 12585 -36.925 -22.109 16.187 1.00 0.00 WAT +ATOM 44066 OH2 TIP3 12586 -27.414 -20.717 28.466 1.00 0.00 WAT +ATOM 44067 H1 TIP3 12586 -28.369 -20.592 28.297 1.00 0.00 WAT +ATOM 44068 H2 TIP3 12586 -27.141 -20.958 27.568 1.00 0.00 WAT +ATOM 44069 OH2 TIP3 12587 -28.904 -16.873 22.506 1.00 0.00 WAT +ATOM 44070 H1 TIP3 12587 -29.713 -17.334 22.215 1.00 0.00 WAT +ATOM 44071 H2 TIP3 12587 -28.410 -17.595 22.954 1.00 0.00 WAT +ATOM 44072 OH2 TIP3 12588 -39.329 -10.727 14.950 1.00 0.00 WAT +ATOM 44073 H1 TIP3 12588 -38.561 -10.312 15.375 1.00 0.00 WAT +ATOM 44074 H2 TIP3 12588 -38.869 -11.283 14.303 1.00 0.00 WAT +ATOM 44075 OH2 TIP3 12589 -41.152 -18.603 14.169 1.00 0.00 WAT +ATOM 44076 H1 TIP3 12589 -41.070 -17.650 14.329 1.00 0.00 WAT +ATOM 44077 H2 TIP3 12589 -41.927 -18.685 13.606 1.00 0.00 WAT +ATOM 44078 OH2 TIP3 12590 -40.264 -23.613 22.834 1.00 0.00 WAT +ATOM 44079 H1 TIP3 12590 -40.579 -23.638 21.913 1.00 0.00 WAT +ATOM 44080 H2 TIP3 12590 -40.679 -24.416 23.211 1.00 0.00 WAT +ATOM 44081 OH2 TIP3 12591 -41.370 -9.975 19.101 1.00 0.00 WAT +ATOM 44082 H1 TIP3 12591 -42.262 -9.604 19.177 1.00 0.00 WAT +ATOM 44083 H2 TIP3 12591 -41.038 -9.548 18.301 1.00 0.00 WAT +ATOM 44084 OH2 TIP3 12592 -42.146 -7.196 30.341 1.00 0.00 WAT +ATOM 44085 H1 TIP3 12592 -41.505 -7.203 31.076 1.00 0.00 WAT +ATOM 44086 H2 TIP3 12592 -42.139 -8.149 30.156 1.00 0.00 WAT +ATOM 44087 OH2 TIP3 12593 -37.374 -8.143 31.846 1.00 0.00 WAT +ATOM 44088 H1 TIP3 12593 -36.669 -8.744 32.132 1.00 0.00 WAT +ATOM 44089 H2 TIP3 12593 -37.490 -8.424 30.929 1.00 0.00 WAT +ATOM 44090 OH2 TIP3 12594 -33.219 -8.839 13.697 1.00 0.00 WAT +ATOM 44091 H1 TIP3 12594 -33.947 -9.450 13.446 1.00 0.00 WAT +ATOM 44092 H2 TIP3 12594 -32.465 -9.284 13.261 1.00 0.00 WAT +ATOM 44093 OH2 TIP3 12595 -30.768 -9.808 30.624 1.00 0.00 WAT +ATOM 44094 H1 TIP3 12595 -31.210 -10.591 31.004 1.00 0.00 WAT +ATOM 44095 H2 TIP3 12595 -30.113 -9.590 31.310 1.00 0.00 WAT +ATOM 44096 OH2 TIP3 12596 -42.019 -13.113 30.991 1.00 0.00 WAT +ATOM 44097 H1 TIP3 12596 -41.882 -13.992 30.613 1.00 0.00 WAT +ATOM 44098 H2 TIP3 12596 -42.890 -12.867 30.646 1.00 0.00 WAT +ATOM 44099 OH2 TIP3 12597 -37.814 -13.072 13.425 1.00 0.00 WAT +ATOM 44100 H1 TIP3 12597 -37.602 -13.672 14.159 1.00 0.00 WAT +ATOM 44101 H2 TIP3 12597 -36.971 -13.095 12.925 1.00 0.00 WAT +ATOM 44102 OH2 TIP3 12598 -35.459 -13.220 30.573 1.00 0.00 WAT +ATOM 44103 H1 TIP3 12598 -35.827 -12.990 29.709 1.00 0.00 WAT +ATOM 44104 H2 TIP3 12598 -35.351 -14.189 30.504 1.00 0.00 WAT +ATOM 44105 OH2 TIP3 12599 -32.598 -11.744 13.042 1.00 0.00 WAT +ATOM 44106 H1 TIP3 12599 -32.583 -11.820 14.008 1.00 0.00 WAT +ATOM 44107 H2 TIP3 12599 -32.607 -12.692 12.794 1.00 0.00 WAT +ATOM 44108 OH2 TIP3 12600 -30.009 -13.692 28.121 1.00 0.00 WAT +ATOM 44109 H1 TIP3 12600 -29.250 -13.106 27.977 1.00 0.00 WAT +ATOM 44110 H2 TIP3 12600 -30.746 -13.059 28.135 1.00 0.00 WAT +ATOM 44111 OH2 TIP3 12601 -41.397 -16.488 30.726 1.00 0.00 WAT +ATOM 44112 H1 TIP3 12601 -40.562 -16.976 30.606 1.00 0.00 WAT +ATOM 44113 H2 TIP3 12601 -41.259 -16.108 31.608 1.00 0.00 WAT +ATOM 44114 OH2 TIP3 12602 -36.729 -14.978 15.762 1.00 0.00 WAT +ATOM 44115 H1 TIP3 12602 -37.314 -15.521 16.310 1.00 0.00 WAT +ATOM 44116 H2 TIP3 12602 -36.411 -15.642 15.114 1.00 0.00 WAT +ATOM 44117 OH2 TIP3 12603 -37.459 -17.212 28.046 1.00 0.00 WAT +ATOM 44118 H1 TIP3 12603 -38.075 -16.465 28.182 1.00 0.00 WAT +ATOM 44119 H2 TIP3 12603 -36.843 -16.840 27.387 1.00 0.00 WAT +ATOM 44120 OH2 TIP3 12604 -35.758 -16.957 14.017 1.00 0.00 WAT +ATOM 44121 H1 TIP3 12604 -35.784 -16.891 13.044 1.00 0.00 WAT +ATOM 44122 H2 TIP3 12604 -34.797 -17.022 14.175 1.00 0.00 WAT +ATOM 44123 OH2 TIP3 12605 -32.222 -14.529 31.564 1.00 0.00 WAT +ATOM 44124 H1 TIP3 12605 -31.318 -14.689 31.256 1.00 0.00 WAT +ATOM 44125 H2 TIP3 12605 -32.450 -15.382 31.955 1.00 0.00 WAT +ATOM 44126 OH2 TIP3 12606 -36.912 -19.922 29.150 1.00 0.00 WAT +ATOM 44127 H1 TIP3 12606 -36.844 -20.582 28.434 1.00 0.00 WAT +ATOM 44128 H2 TIP3 12606 -37.114 -19.113 28.648 1.00 0.00 WAT +ATOM 44129 OH2 TIP3 12607 -36.570 -21.457 26.611 1.00 0.00 WAT +ATOM 44130 H1 TIP3 12607 -36.051 -20.944 25.962 1.00 0.00 WAT +ATOM 44131 H2 TIP3 12607 -37.477 -21.433 26.239 1.00 0.00 WAT +ATOM 44132 OH2 TIP3 12608 -35.120 -15.891 26.845 1.00 0.00 WAT +ATOM 44133 H1 TIP3 12608 -34.244 -15.939 26.434 1.00 0.00 WAT +ATOM 44134 H2 TIP3 12608 -35.398 -14.985 26.629 1.00 0.00 WAT +ATOM 44135 OH2 TIP3 12609 -30.445 -18.092 31.806 1.00 0.00 WAT +ATOM 44136 H1 TIP3 12609 -30.201 -19.027 31.885 1.00 0.00 WAT +ATOM 44137 H2 TIP3 12609 -29.571 -17.677 31.724 1.00 0.00 WAT +ATOM 44138 OH2 TIP3 12610 -29.478 -15.300 30.271 1.00 0.00 WAT +ATOM 44139 H1 TIP3 12610 -29.819 -14.686 29.587 1.00 0.00 WAT +ATOM 44140 H2 TIP3 12610 -28.581 -15.455 29.915 1.00 0.00 WAT +ATOM 44141 OH2 TIP3 12611 -38.764 -18.058 30.964 1.00 0.00 WAT +ATOM 44142 H1 TIP3 12611 -39.296 -18.873 30.932 1.00 0.00 WAT +ATOM 44143 H2 TIP3 12611 -37.974 -18.314 30.464 1.00 0.00 WAT +ATOM 44144 OH2 TIP3 12612 -35.861 -24.136 26.968 1.00 0.00 WAT +ATOM 44145 H1 TIP3 12612 -36.028 -23.187 26.785 1.00 0.00 WAT +ATOM 44146 H2 TIP3 12612 -36.548 -24.558 26.415 1.00 0.00 WAT +ATOM 44147 OH2 TIP3 12613 -34.593 -19.652 30.735 1.00 0.00 WAT +ATOM 44148 H1 TIP3 12613 -34.996 -19.783 31.611 1.00 0.00 WAT +ATOM 44149 H2 TIP3 12613 -35.385 -19.797 30.174 1.00 0.00 WAT +ATOM 44150 OH2 TIP3 12614 -32.041 -20.506 29.598 1.00 0.00 WAT +ATOM 44151 H1 TIP3 12614 -32.919 -20.458 30.018 1.00 0.00 WAT +ATOM 44152 H2 TIP3 12614 -31.567 -21.129 30.186 1.00 0.00 WAT +ATOM 44153 OH2 TIP3 12615 -30.257 -21.996 31.318 1.00 0.00 WAT +ATOM 44154 H1 TIP3 12615 -30.314 -22.963 31.457 1.00 0.00 WAT +ATOM 44155 H2 TIP3 12615 -30.373 -21.632 32.215 1.00 0.00 WAT +ATOM 44156 OH2 TIP3 12616 -40.138 -20.588 30.774 1.00 0.00 WAT +ATOM 44157 H1 TIP3 12616 -40.168 -21.311 30.127 1.00 0.00 WAT +ATOM 44158 H2 TIP3 12616 -40.327 -21.054 31.610 1.00 0.00 WAT +ATOM 44159 OH2 TIP3 12617 -35.935 -24.666 29.801 1.00 0.00 WAT +ATOM 44160 H1 TIP3 12617 -35.329 -25.426 29.763 1.00 0.00 WAT +ATOM 44161 H2 TIP3 12617 -36.031 -24.473 28.846 1.00 0.00 WAT +ATOM 44162 OH2 TIP3 12618 -35.145 -23.150 32.083 1.00 0.00 WAT +ATOM 44163 H1 TIP3 12618 -35.328 -23.548 31.207 1.00 0.00 WAT +ATOM 44164 H2 TIP3 12618 -35.704 -22.353 32.035 1.00 0.00 WAT +ATOM 44165 OH2 TIP3 12619 -35.964 -5.574 15.180 1.00 0.00 WAT +ATOM 44166 H1 TIP3 12619 -35.029 -5.772 15.074 1.00 0.00 WAT +ATOM 44167 H2 TIP3 12619 -36.207 -5.318 14.280 1.00 0.00 WAT +ATOM 44168 OH2 TIP3 12620 -42.008 -10.865 14.196 1.00 0.00 WAT +ATOM 44169 H1 TIP3 12620 -41.209 -10.894 14.759 1.00 0.00 WAT +ATOM 44170 H2 TIP3 12620 -42.133 -11.795 13.958 1.00 0.00 WAT +ATOM 44171 OH2 TIP3 12621 -42.742 -8.073 21.324 1.00 0.00 WAT +ATOM 44172 H1 TIP3 12621 -42.756 -8.958 21.733 1.00 0.00 WAT +ATOM 44173 H2 TIP3 12621 -42.412 -7.563 22.080 1.00 0.00 WAT +ATOM 44174 OH2 TIP3 12622 -25.347 -6.939 24.283 1.00 0.00 WAT +ATOM 44175 H1 TIP3 12622 -25.182 -6.997 25.233 1.00 0.00 WAT +ATOM 44176 H2 TIP3 12622 -24.478 -6.702 23.938 1.00 0.00 WAT +ATOM 44177 OH2 TIP3 12623 -25.251 -7.397 27.263 1.00 0.00 WAT +ATOM 44178 H1 TIP3 12623 -25.771 -8.129 26.885 1.00 0.00 WAT +ATOM 44179 H2 TIP3 12623 -24.695 -7.885 27.892 1.00 0.00 WAT +ATOM 44180 OH2 TIP3 12624 -27.259 -11.987 31.527 1.00 0.00 WAT +ATOM 44181 H1 TIP3 12624 -28.141 -11.917 31.932 1.00 0.00 WAT +ATOM 44182 H2 TIP3 12624 -26.807 -11.192 31.856 1.00 0.00 WAT +ATOM 44183 OH2 TIP3 12625 -25.916 -13.167 17.258 1.00 0.00 WAT +ATOM 44184 H1 TIP3 12625 -25.026 -12.778 17.375 1.00 0.00 WAT +ATOM 44185 H2 TIP3 12625 -25.907 -13.825 17.985 1.00 0.00 WAT +ATOM 44186 OH2 TIP3 12626 -25.430 -15.089 19.283 1.00 0.00 WAT +ATOM 44187 H1 TIP3 12626 -26.061 -15.717 19.686 1.00 0.00 WAT +ATOM 44188 H2 TIP3 12626 -24.709 -15.037 19.940 1.00 0.00 WAT +ATOM 44189 OH2 TIP3 12627 -25.772 -12.546 24.160 1.00 0.00 WAT +ATOM 44190 H1 TIP3 12627 -25.152 -13.122 23.682 1.00 0.00 WAT +ATOM 44191 H2 TIP3 12627 -25.422 -11.665 23.935 1.00 0.00 WAT +ATOM 44192 OH2 TIP3 12628 -26.980 -9.615 26.374 1.00 0.00 WAT +ATOM 44193 H1 TIP3 12628 -27.664 -9.259 26.978 1.00 0.00 WAT +ATOM 44194 H2 TIP3 12628 -27.460 -10.266 25.857 1.00 0.00 WAT +ATOM 44195 OH2 TIP3 12629 -25.283 -15.530 15.563 1.00 0.00 WAT +ATOM 44196 H1 TIP3 12629 -25.642 -15.190 14.736 1.00 0.00 WAT +ATOM 44197 H2 TIP3 12629 -25.385 -14.777 16.164 1.00 0.00 WAT +ATOM 44198 OH2 TIP3 12630 -26.904 -18.074 13.992 1.00 0.00 WAT +ATOM 44199 H1 TIP3 12630 -26.582 -17.552 13.238 1.00 0.00 WAT +ATOM 44200 H2 TIP3 12630 -27.081 -18.938 13.567 1.00 0.00 WAT +ATOM 44201 OH2 TIP3 12631 -27.490 -16.994 20.063 1.00 0.00 WAT +ATOM 44202 H1 TIP3 12631 -27.522 -17.950 19.890 1.00 0.00 WAT +ATOM 44203 H2 TIP3 12631 -27.865 -16.928 20.962 1.00 0.00 WAT +ATOM 44204 OH2 TIP3 12632 -42.569 -14.506 24.045 1.00 0.00 WAT +ATOM 44205 H1 TIP3 12632 -42.193 -14.252 23.191 1.00 0.00 WAT +ATOM 44206 H2 TIP3 12632 -41.776 -14.886 24.481 1.00 0.00 WAT +ATOM 44207 OH2 TIP3 12633 -26.857 -15.057 29.196 1.00 0.00 WAT +ATOM 44208 H1 TIP3 12633 -26.144 -15.700 29.371 1.00 0.00 WAT +ATOM 44209 H2 TIP3 12633 -26.364 -14.240 29.052 1.00 0.00 WAT +ATOM 44210 OH2 TIP3 12634 -25.321 -16.967 30.435 1.00 0.00 WAT +ATOM 44211 H1 TIP3 12634 -26.100 -17.516 30.205 1.00 0.00 WAT +ATOM 44212 H2 TIP3 12634 -24.603 -17.628 30.404 1.00 0.00 WAT +ATOM 44213 OH2 TIP3 12635 -27.424 -20.770 13.355 1.00 0.00 WAT +ATOM 44214 H1 TIP3 12635 -26.803 -21.302 13.881 1.00 0.00 WAT +ATOM 44215 H2 TIP3 12635 -28.183 -21.353 13.224 1.00 0.00 WAT +ATOM 44216 OH2 TIP3 12636 -27.583 -19.497 18.246 1.00 0.00 WAT +ATOM 44217 H1 TIP3 12636 -27.329 -20.445 18.280 1.00 0.00 WAT +ATOM 44218 H2 TIP3 12636 -26.794 -19.122 17.813 1.00 0.00 WAT +ATOM 44219 OH2 TIP3 12637 -27.367 -18.868 23.678 1.00 0.00 WAT +ATOM 44220 H1 TIP3 12637 -26.391 -18.792 23.644 1.00 0.00 WAT +ATOM 44221 H2 TIP3 12637 -27.499 -18.881 24.642 1.00 0.00 WAT +ATOM 44222 OH2 TIP3 12638 -27.202 -18.199 26.515 1.00 0.00 WAT +ATOM 44223 H1 TIP3 12638 -28.060 -17.807 26.761 1.00 0.00 WAT +ATOM 44224 H2 TIP3 12638 -26.674 -17.411 26.289 1.00 0.00 WAT +ATOM 44225 OH2 TIP3 12639 -42.859 -19.588 30.067 1.00 0.00 WAT +ATOM 44226 H1 TIP3 12639 -41.962 -19.952 30.137 1.00 0.00 WAT +ATOM 44227 H2 TIP3 12639 -43.432 -20.315 30.349 1.00 0.00 WAT +ATOM 44228 OH2 TIP3 12640 -24.677 -24.032 31.769 1.00 0.00 WAT +ATOM 44229 H1 TIP3 12640 -24.223 -24.728 31.258 1.00 0.00 WAT +ATOM 44230 H2 TIP3 12640 -24.601 -23.260 31.178 1.00 0.00 WAT +ATOM 44231 OH2 TIP3 12641 -27.131 -22.284 18.226 1.00 0.00 WAT +ATOM 44232 H1 TIP3 12641 -27.005 -22.622 19.129 1.00 0.00 WAT +ATOM 44233 H2 TIP3 12641 -27.920 -22.788 17.938 1.00 0.00 WAT +ATOM 44234 OH2 TIP3 12642 -41.948 -20.963 23.278 1.00 0.00 WAT +ATOM 44235 H1 TIP3 12642 -41.636 -21.880 23.265 1.00 0.00 WAT +ATOM 44236 H2 TIP3 12642 -41.124 -20.466 23.433 1.00 0.00 WAT +ATOM 44237 OH2 TIP3 12643 -43.516 -18.349 23.957 1.00 0.00 WAT +ATOM 44238 H1 TIP3 12643 -42.981 -18.957 23.423 1.00 0.00 WAT +ATOM 44239 H2 TIP3 12643 -43.058 -17.514 23.818 1.00 0.00 WAT +ATOM 44240 OH2 TIP3 12644 -25.258 -21.972 30.020 1.00 0.00 WAT +ATOM 44241 H1 TIP3 12644 -26.145 -21.572 30.071 1.00 0.00 WAT +ATOM 44242 H2 TIP3 12644 -25.376 -22.543 29.240 1.00 0.00 WAT +ATOM 44243 OH2 TIP3 12645 -25.147 -21.843 14.932 1.00 0.00 WAT +ATOM 44244 H1 TIP3 12645 -24.843 -22.601 14.405 1.00 0.00 WAT +ATOM 44245 H2 TIP3 12645 -24.370 -21.261 14.898 1.00 0.00 WAT +ATOM 44246 OH2 TIP3 12646 -43.130 -22.288 17.632 1.00 0.00 WAT +ATOM 44247 H1 TIP3 12646 -43.977 -21.990 17.273 1.00 0.00 WAT +ATOM 44248 H2 TIP3 12646 -42.541 -21.576 17.287 1.00 0.00 WAT +ATOM 44249 OH2 TIP3 12647 -42.918 -23.329 25.982 1.00 0.00 WAT +ATOM 44250 H1 TIP3 12647 -43.587 -23.399 26.702 1.00 0.00 WAT +ATOM 44251 H2 TIP3 12647 -43.352 -22.797 25.300 1.00 0.00 WAT +ATOM 44252 OH2 TIP3 12648 -41.036 -9.832 30.592 1.00 0.00 WAT +ATOM 44253 H1 TIP3 12648 -41.606 -10.342 30.018 1.00 0.00 WAT +ATOM 44254 H2 TIP3 12648 -41.211 -10.229 31.471 1.00 0.00 WAT +ATOM 44255 OH2 TIP3 12649 -33.525 -7.691 29.616 1.00 0.00 WAT +ATOM 44256 H1 TIP3 12649 -33.397 -8.026 30.515 1.00 0.00 WAT +ATOM 44257 H2 TIP3 12649 -32.639 -7.377 29.373 1.00 0.00 WAT +ATOM 44258 OH2 TIP3 12650 -31.143 -6.318 28.769 1.00 0.00 WAT +ATOM 44259 H1 TIP3 12650 -30.521 -7.045 28.638 1.00 0.00 WAT +ATOM 44260 H2 TIP3 12650 -30.923 -6.030 29.675 1.00 0.00 WAT +ATOM 44261 OH2 TIP3 12651 -26.408 -23.771 28.029 1.00 0.00 WAT +ATOM 44262 H1 TIP3 12651 -27.201 -23.576 27.499 1.00 0.00 WAT +ATOM 44263 H2 TIP3 12651 -26.174 -24.664 27.699 1.00 0.00 WAT +ATOM 44264 OH2 TIP3 12652 -40.717 -6.010 26.823 1.00 0.00 WAT +ATOM 44265 H1 TIP3 12652 -41.422 -5.514 26.371 1.00 0.00 WAT +ATOM 44266 H2 TIP3 12652 -41.061 -6.077 27.719 1.00 0.00 WAT +ATOM 44267 OH2 TIP3 12653 -38.191 -6.677 25.102 1.00 0.00 WAT +ATOM 44268 H1 TIP3 12653 -38.829 -6.704 25.834 1.00 0.00 WAT +ATOM 44269 H2 TIP3 12653 -38.164 -5.746 24.858 1.00 0.00 WAT +ATOM 44270 OH2 TIP3 12654 -33.234 -6.396 24.855 1.00 0.00 WAT +ATOM 44271 H1 TIP3 12654 -33.915 -6.076 24.244 1.00 0.00 WAT +ATOM 44272 H2 TIP3 12654 -33.471 -5.917 25.666 1.00 0.00 WAT +ATOM 44273 OH2 TIP3 12655 -31.032 -7.681 25.872 1.00 0.00 WAT +ATOM 44274 H1 TIP3 12655 -31.914 -7.360 25.589 1.00 0.00 WAT +ATOM 44275 H2 TIP3 12655 -30.554 -6.844 25.929 1.00 0.00 WAT +ATOM 44276 OH2 TIP3 12656 -28.384 -6.120 25.882 1.00 0.00 WAT +ATOM 44277 H1 TIP3 12656 -28.527 -5.161 25.808 1.00 0.00 WAT +ATOM 44278 H2 TIP3 12656 -28.046 -6.316 24.989 1.00 0.00 WAT +ATOM 44279 OH2 TIP3 12657 -41.249 -7.327 23.802 1.00 0.00 WAT +ATOM 44280 H1 TIP3 12657 -41.336 -7.726 24.690 1.00 0.00 WAT +ATOM 44281 H2 TIP3 12657 -40.440 -7.767 23.494 1.00 0.00 WAT +ATOM 44282 OH2 TIP3 12658 -39.028 -8.661 22.281 1.00 0.00 WAT +ATOM 44283 H1 TIP3 12658 -39.227 -9.553 22.640 1.00 0.00 WAT +ATOM 44284 H2 TIP3 12658 -38.247 -8.421 22.808 1.00 0.00 WAT +ATOM 44285 OH2 TIP3 12659 -36.120 -8.161 23.313 1.00 0.00 WAT +ATOM 44286 H1 TIP3 12659 -36.132 -9.122 23.148 1.00 0.00 WAT +ATOM 44287 H2 TIP3 12659 -36.396 -8.137 24.247 1.00 0.00 WAT +ATOM 44288 OH2 TIP3 12660 -32.976 -22.270 22.488 1.00 0.00 WAT +ATOM 44289 H1 TIP3 12660 -33.662 -22.953 22.618 1.00 0.00 WAT +ATOM 44290 H2 TIP3 12660 -32.366 -22.719 21.880 1.00 0.00 WAT +ATOM 44291 OH2 TIP3 12661 -28.020 -24.220 22.959 1.00 0.00 WAT +ATOM 44292 H1 TIP3 12661 -27.251 -23.807 22.528 1.00 0.00 WAT +ATOM 44293 H2 TIP3 12661 -28.752 -23.960 22.376 1.00 0.00 WAT +ATOM 44294 OH2 TIP3 12662 -25.941 -23.145 20.815 1.00 0.00 WAT +ATOM 44295 H1 TIP3 12662 -25.230 -23.567 20.297 1.00 0.00 WAT +ATOM 44296 H2 TIP3 12662 -25.606 -22.227 20.890 1.00 0.00 WAT +ATOM 44297 OH2 TIP3 12663 -41.081 -23.690 20.016 1.00 0.00 WAT +ATOM 44298 H1 TIP3 12663 -41.799 -23.992 19.446 1.00 0.00 WAT +ATOM 44299 H2 TIP3 12663 -40.453 -24.430 19.922 1.00 0.00 WAT +ATOM 44300 OH2 TIP3 12664 -41.828 -24.085 15.819 1.00 0.00 WAT +ATOM 44301 H1 TIP3 12664 -41.299 -23.426 15.327 1.00 0.00 WAT +ATOM 44302 H2 TIP3 12664 -42.319 -23.513 16.436 1.00 0.00 WAT +ATOM 44303 OH2 TIP3 12665 -36.164 -23.717 19.928 1.00 0.00 WAT +ATOM 44304 H1 TIP3 12665 -35.252 -23.426 19.758 1.00 0.00 WAT +ATOM 44305 H2 TIP3 12665 -36.147 -23.832 20.885 1.00 0.00 WAT +ATOM 44306 OH2 TIP3 12666 -30.560 -23.682 21.322 1.00 0.00 WAT +ATOM 44307 H1 TIP3 12666 -30.286 -23.836 20.408 1.00 0.00 WAT +ATOM 44308 H2 TIP3 12666 -30.935 -24.549 21.565 1.00 0.00 WAT +ATOM 44309 OH2 TIP3 12667 -29.452 -23.682 17.341 1.00 0.00 WAT +ATOM 44310 H1 TIP3 12667 -30.272 -23.192 17.147 1.00 0.00 WAT +ATOM 44311 H2 TIP3 12667 -29.790 -24.589 17.433 1.00 0.00 WAT +ATOM 44312 OH2 TIP3 12668 -41.908 -8.050 16.885 1.00 0.00 WAT +ATOM 44313 H1 TIP3 12668 -42.478 -8.243 16.133 1.00 0.00 WAT +ATOM 44314 H2 TIP3 12668 -41.827 -7.088 16.835 1.00 0.00 WAT +ATOM 44315 OH2 TIP3 12669 -40.053 -22.195 14.364 1.00 0.00 WAT +ATOM 44316 H1 TIP3 12669 -39.485 -22.790 13.844 1.00 0.00 WAT +ATOM 44317 H2 TIP3 12669 -39.430 -21.909 15.062 1.00 0.00 WAT +ATOM 44318 OH2 TIP3 12670 -35.014 -22.045 16.983 1.00 0.00 WAT +ATOM 44319 H1 TIP3 12670 -34.641 -22.638 17.652 1.00 0.00 WAT +ATOM 44320 H2 TIP3 12670 -34.759 -21.185 17.356 1.00 0.00 WAT +ATOM 44321 OH2 TIP3 12671 -32.645 -6.062 15.099 1.00 0.00 WAT +ATOM 44322 H1 TIP3 12671 -31.718 -6.366 15.024 1.00 0.00 WAT +ATOM 44323 H2 TIP3 12671 -33.064 -6.789 14.605 1.00 0.00 WAT +ATOM 44324 OH2 TIP3 12672 -26.728 -7.159 18.045 1.00 0.00 WAT +ATOM 44325 H1 TIP3 12672 -26.811 -7.995 17.555 1.00 0.00 WAT +ATOM 44326 H2 TIP3 12672 -26.351 -6.562 17.388 1.00 0.00 WAT +ATOM 44327 OH2 TIP3 12673 -40.806 -23.287 29.539 1.00 0.00 WAT +ATOM 44328 H1 TIP3 12673 -41.260 -24.048 29.937 1.00 0.00 WAT +ATOM 44329 H2 TIP3 12673 -39.892 -23.435 29.838 1.00 0.00 WAT +ATOM 44330 OH2 TIP3 12674 -38.468 -23.917 31.300 1.00 0.00 WAT +ATOM 44331 H1 TIP3 12674 -37.639 -24.257 30.914 1.00 0.00 WAT +ATOM 44332 H2 TIP3 12674 -38.858 -24.715 31.701 1.00 0.00 WAT +ATOM 44333 OH2 TIP3 12675 -40.121 -7.069 13.855 1.00 0.00 WAT +ATOM 44334 H1 TIP3 12675 -40.390 -6.894 14.768 1.00 0.00 WAT +ATOM 44335 H2 TIP3 12675 -39.432 -7.745 13.967 1.00 0.00 WAT +ATOM 44336 OH2 TIP3 12676 -30.279 -24.784 31.435 1.00 0.00 WAT +ATOM 44337 H1 TIP3 12676 -30.300 -25.206 32.312 1.00 0.00 WAT +ATOM 44338 H2 TIP3 12676 -29.330 -24.847 31.205 1.00 0.00 WAT +ATOM 44339 OH2 TIP3 12677 -26.945 -8.487 30.151 1.00 0.00 WAT +ATOM 44340 H1 TIP3 12677 -27.699 -8.680 29.566 1.00 0.00 WAT +ATOM 44341 H2 TIP3 12677 -27.120 -7.552 30.370 1.00 0.00 WAT +ATOM 44342 OH2 TIP3 12678 -13.897 -15.431 23.219 1.00 0.00 WAT +ATOM 44343 H1 TIP3 12678 -13.841 -15.808 24.112 1.00 0.00 WAT +ATOM 44344 H2 TIP3 12678 -14.227 -16.197 22.723 1.00 0.00 WAT +ATOM 44345 OH2 TIP3 12679 -21.450 -15.772 25.054 1.00 0.00 WAT +ATOM 44346 H1 TIP3 12679 -21.434 -16.534 25.662 1.00 0.00 WAT +ATOM 44347 H2 TIP3 12679 -20.707 -15.251 25.392 1.00 0.00 WAT +ATOM 44348 OH2 TIP3 12680 -10.583 -12.542 21.634 1.00 0.00 WAT +ATOM 44349 H1 TIP3 12680 -10.457 -13.312 22.198 1.00 0.00 WAT +ATOM 44350 H2 TIP3 12680 -9.889 -11.949 21.933 1.00 0.00 WAT +ATOM 44351 OH2 TIP3 12681 -20.795 -11.175 23.568 1.00 0.00 WAT +ATOM 44352 H1 TIP3 12681 -20.981 -12.099 23.294 1.00 0.00 WAT +ATOM 44353 H2 TIP3 12681 -19.840 -11.247 23.734 1.00 0.00 WAT +ATOM 44354 OH2 TIP3 12682 -23.798 -17.754 18.973 1.00 0.00 WAT +ATOM 44355 H1 TIP3 12682 -24.177 -16.864 18.996 1.00 0.00 WAT +ATOM 44356 H2 TIP3 12682 -24.461 -18.236 18.461 1.00 0.00 WAT +ATOM 44357 OH2 TIP3 12683 -22.965 -15.279 20.796 1.00 0.00 WAT +ATOM 44358 H1 TIP3 12683 -22.804 -16.129 21.252 1.00 0.00 WAT +ATOM 44359 H2 TIP3 12683 -22.147 -15.181 20.287 1.00 0.00 WAT +ATOM 44360 OH2 TIP3 12684 -13.343 -7.713 22.198 1.00 0.00 WAT +ATOM 44361 H1 TIP3 12684 -12.593 -8.296 21.991 1.00 0.00 WAT +ATOM 44362 H2 TIP3 12684 -13.456 -7.869 23.146 1.00 0.00 WAT +ATOM 44363 OH2 TIP3 12685 -15.404 -12.883 23.954 1.00 0.00 WAT +ATOM 44364 H1 TIP3 12685 -15.068 -13.563 23.346 1.00 0.00 WAT +ATOM 44365 H2 TIP3 12685 -14.583 -12.699 24.450 1.00 0.00 WAT +ATOM 44366 OH2 TIP3 12686 -6.563 -21.327 24.433 1.00 0.00 WAT +ATOM 44367 H1 TIP3 12686 -6.362 -20.711 25.153 1.00 0.00 WAT +ATOM 44368 H2 TIP3 12686 -5.981 -20.969 23.738 1.00 0.00 WAT +ATOM 44369 OH2 TIP3 12687 -12.191 -18.539 24.433 1.00 0.00 WAT +ATOM 44370 H1 TIP3 12687 -11.940 -19.476 24.460 1.00 0.00 WAT +ATOM 44371 H2 TIP3 12687 -12.126 -18.351 23.484 1.00 0.00 WAT +ATOM 44372 OH2 TIP3 12688 -19.148 -20.510 21.527 1.00 0.00 WAT +ATOM 44373 H1 TIP3 12688 -18.991 -19.661 21.068 1.00 0.00 WAT +ATOM 44374 H2 TIP3 12688 -19.492 -21.035 20.777 1.00 0.00 WAT +ATOM 44375 OH2 TIP3 12689 -11.262 -20.293 19.822 1.00 0.00 WAT +ATOM 44376 H1 TIP3 12689 -10.692 -20.733 20.493 1.00 0.00 WAT +ATOM 44377 H2 TIP3 12689 -10.578 -19.869 19.274 1.00 0.00 WAT +ATOM 44378 OH2 TIP3 12690 -22.454 -17.788 22.034 1.00 0.00 WAT +ATOM 44379 H1 TIP3 12690 -21.811 -18.265 22.584 1.00 0.00 WAT +ATOM 44380 H2 TIP3 12690 -22.368 -18.262 21.186 1.00 0.00 WAT +ATOM 44381 OH2 TIP3 12691 -17.008 -16.391 21.440 1.00 0.00 WAT +ATOM 44382 H1 TIP3 12691 -16.358 -16.970 21.886 1.00 0.00 WAT +ATOM 44383 H2 TIP3 12691 -17.547 -17.047 20.960 1.00 0.00 WAT +ATOM 44384 OH2 TIP3 12692 -6.021 -19.979 27.053 1.00 0.00 WAT +ATOM 44385 H1 TIP3 12692 -6.588 -19.254 26.736 1.00 0.00 WAT +ATOM 44386 H2 TIP3 12692 -6.243 -19.987 27.991 1.00 0.00 WAT +ATOM 44387 OH2 TIP3 12693 -20.336 -21.728 25.678 1.00 0.00 WAT +ATOM 44388 H1 TIP3 12693 -20.741 -21.230 24.952 1.00 0.00 WAT +ATOM 44389 H2 TIP3 12693 -20.994 -21.585 26.388 1.00 0.00 WAT +ATOM 44390 OH2 TIP3 12694 -13.541 -12.421 19.567 1.00 0.00 WAT +ATOM 44391 H1 TIP3 12694 -12.816 -12.044 20.087 1.00 0.00 WAT +ATOM 44392 H2 TIP3 12694 -13.848 -11.630 19.088 1.00 0.00 WAT +ATOM 44393 OH2 TIP3 12695 -17.400 -13.838 25.810 1.00 0.00 WAT +ATOM 44394 H1 TIP3 12695 -18.135 -13.234 26.046 1.00 0.00 WAT +ATOM 44395 H2 TIP3 12695 -16.778 -13.242 25.351 1.00 0.00 WAT +ATOM 44396 OH2 TIP3 12696 -9.502 -21.139 21.874 1.00 0.00 WAT +ATOM 44397 H1 TIP3 12696 -9.841 -21.673 22.601 1.00 0.00 WAT +ATOM 44398 H2 TIP3 12696 -8.920 -20.512 22.342 1.00 0.00 WAT +ATOM 44399 OH2 TIP3 12697 -20.737 -19.675 23.622 1.00 0.00 WAT +ATOM 44400 H1 TIP3 12697 -20.080 -19.108 24.080 1.00 0.00 WAT +ATOM 44401 H2 TIP3 12697 -20.171 -20.044 22.907 1.00 0.00 WAT +ATOM 44402 OH2 TIP3 12698 -19.418 -11.974 26.542 1.00 0.00 WAT +ATOM 44403 H1 TIP3 12698 -19.446 -11.062 26.202 1.00 0.00 WAT +ATOM 44404 H2 TIP3 12698 -20.284 -12.022 26.986 1.00 0.00 WAT +ATOM 44405 OH2 TIP3 12699 -23.255 -12.126 17.347 1.00 0.00 WAT +ATOM 44406 H1 TIP3 12699 -23.354 -11.650 16.516 1.00 0.00 WAT +ATOM 44407 H2 TIP3 12699 -23.027 -11.403 17.973 1.00 0.00 WAT +ATOM 44408 OH2 TIP3 12700 -9.623 -10.721 24.332 1.00 0.00 WAT +ATOM 44409 H1 TIP3 12700 -10.581 -10.733 24.162 1.00 0.00 WAT +ATOM 44410 H2 TIP3 12700 -9.332 -10.041 23.712 1.00 0.00 WAT +ATOM 44411 OH2 TIP3 12701 -9.244 -21.927 25.669 1.00 0.00 WAT +ATOM 44412 H1 TIP3 12701 -10.032 -21.532 25.252 1.00 0.00 WAT +ATOM 44413 H2 TIP3 12701 -8.551 -21.734 25.010 1.00 0.00 WAT +ATOM 44414 OH2 TIP3 12702 -16.195 -24.238 22.760 1.00 0.00 WAT +ATOM 44415 H1 TIP3 12702 -16.427 -25.184 22.731 1.00 0.00 WAT +ATOM 44416 H2 TIP3 12702 -17.013 -23.844 23.133 1.00 0.00 WAT +ATOM 44417 OH2 TIP3 12703 -10.901 -8.896 20.739 1.00 0.00 WAT +ATOM 44418 H1 TIP3 12703 -10.593 -9.688 20.270 1.00 0.00 WAT +ATOM 44419 H2 TIP3 12703 -10.958 -8.264 20.019 1.00 0.00 WAT +ATOM 44420 OH2 TIP3 12704 -8.353 -12.171 27.855 1.00 0.00 WAT +ATOM 44421 H1 TIP3 12704 -8.457 -12.836 27.148 1.00 0.00 WAT +ATOM 44422 H2 TIP3 12704 -8.217 -11.357 27.335 1.00 0.00 WAT +ATOM 44423 OH2 TIP3 12705 -13.619 -17.210 14.766 1.00 0.00 WAT +ATOM 44424 H1 TIP3 12705 -12.853 -16.799 15.174 1.00 0.00 WAT +ATOM 44425 H2 TIP3 12705 -13.344 -17.218 13.834 1.00 0.00 WAT +ATOM 44426 OH2 TIP3 12706 -6.596 -16.020 25.811 1.00 0.00 WAT +ATOM 44427 H1 TIP3 12706 -7.301 -15.348 25.844 1.00 0.00 WAT +ATOM 44428 H2 TIP3 12706 -6.105 -15.737 25.014 1.00 0.00 WAT +ATOM 44429 OH2 TIP3 12707 -10.856 -15.563 18.886 1.00 0.00 WAT +ATOM 44430 H1 TIP3 12707 -11.063 -14.626 18.967 1.00 0.00 WAT +ATOM 44431 H2 TIP3 12707 -9.994 -15.502 18.440 1.00 0.00 WAT +ATOM 44432 OH2 TIP3 12708 -10.766 -16.754 27.484 1.00 0.00 WAT +ATOM 44433 H1 TIP3 12708 -10.694 -15.919 27.976 1.00 0.00 WAT +ATOM 44434 H2 TIP3 12708 -11.374 -16.465 26.782 1.00 0.00 WAT +ATOM 44435 OH2 TIP3 12709 -19.054 -14.523 20.410 1.00 0.00 WAT +ATOM 44436 H1 TIP3 12709 -19.348 -14.940 19.574 1.00 0.00 WAT +ATOM 44437 H2 TIP3 12709 -18.371 -15.145 20.713 1.00 0.00 WAT +ATOM 44438 OH2 TIP3 12710 -17.685 -11.151 23.186 1.00 0.00 WAT +ATOM 44439 H1 TIP3 12710 -17.735 -11.426 22.258 1.00 0.00 WAT +ATOM 44440 H2 TIP3 12710 -16.853 -11.576 23.470 1.00 0.00 WAT +ATOM 44441 OH2 TIP3 12711 -18.393 -15.717 23.897 1.00 0.00 WAT +ATOM 44442 H1 TIP3 12711 -17.826 -15.658 23.105 1.00 0.00 WAT +ATOM 44443 H2 TIP3 12711 -18.004 -15.042 24.484 1.00 0.00 WAT +ATOM 44444 OH2 TIP3 12712 -12.553 -10.178 24.510 1.00 0.00 WAT +ATOM 44445 H1 TIP3 12712 -12.403 -9.551 25.236 1.00 0.00 WAT +ATOM 44446 H2 TIP3 12712 -12.647 -11.033 24.967 1.00 0.00 WAT +ATOM 44447 OH2 TIP3 12713 -17.563 -11.394 28.740 1.00 0.00 WAT +ATOM 44448 H1 TIP3 12713 -18.080 -10.718 29.212 1.00 0.00 WAT +ATOM 44449 H2 TIP3 12713 -18.189 -11.661 28.040 1.00 0.00 WAT +ATOM 44450 OH2 TIP3 12714 -20.629 -14.968 27.846 1.00 0.00 WAT +ATOM 44451 H1 TIP3 12714 -20.580 -14.414 28.647 1.00 0.00 WAT +ATOM 44452 H2 TIP3 12714 -21.582 -15.135 27.777 1.00 0.00 WAT +ATOM 44453 OH2 TIP3 12715 -14.002 -9.190 19.699 1.00 0.00 WAT +ATOM 44454 H1 TIP3 12715 -13.816 -8.766 20.543 1.00 0.00 WAT +ATOM 44455 H2 TIP3 12715 -14.534 -8.537 19.228 1.00 0.00 WAT +ATOM 44456 OH2 TIP3 12716 -19.463 -9.187 29.559 1.00 0.00 WAT +ATOM 44457 H1 TIP3 12716 -19.563 -9.157 28.591 1.00 0.00 WAT +ATOM 44458 H2 TIP3 12716 -20.340 -9.482 29.867 1.00 0.00 WAT +ATOM 44459 OH2 TIP3 12717 -8.197 -24.143 15.636 1.00 0.00 WAT +ATOM 44460 H1 TIP3 12717 -9.032 -23.943 16.095 1.00 0.00 WAT +ATOM 44461 H2 TIP3 12717 -7.824 -23.252 15.507 1.00 0.00 WAT +ATOM 44462 OH2 TIP3 12718 -20.127 -15.788 18.025 1.00 0.00 WAT +ATOM 44463 H1 TIP3 12718 -20.216 -15.073 17.366 1.00 0.00 WAT +ATOM 44464 H2 TIP3 12718 -20.711 -16.452 17.641 1.00 0.00 WAT +ATOM 44465 OH2 TIP3 12719 -24.062 -13.113 26.675 1.00 0.00 WAT +ATOM 44466 H1 TIP3 12719 -24.395 -13.169 25.762 1.00 0.00 WAT +ATOM 44467 H2 TIP3 12719 -23.859 -14.048 26.871 1.00 0.00 WAT +ATOM 44468 OH2 TIP3 12720 -23.979 -10.207 23.619 1.00 0.00 WAT +ATOM 44469 H1 TIP3 12720 -23.050 -10.491 23.623 1.00 0.00 WAT +ATOM 44470 H2 TIP3 12720 -23.970 -9.557 24.339 1.00 0.00 WAT +ATOM 44471 OH2 TIP3 12721 -5.573 -9.546 29.393 1.00 0.00 WAT +ATOM 44472 H1 TIP3 12721 -5.635 -10.486 29.139 1.00 0.00 WAT +ATOM 44473 H2 TIP3 12721 -6.499 -9.360 29.649 1.00 0.00 WAT +ATOM 44474 OH2 TIP3 12722 -14.917 -10.348 28.183 1.00 0.00 WAT +ATOM 44475 H1 TIP3 12722 -14.856 -9.511 28.685 1.00 0.00 WAT +ATOM 44476 H2 TIP3 12722 -15.824 -10.644 28.398 1.00 0.00 WAT +ATOM 44477 OH2 TIP3 12723 -20.787 -7.398 19.778 1.00 0.00 WAT +ATOM 44478 H1 TIP3 12723 -20.610 -7.839 20.630 1.00 0.00 WAT +ATOM 44479 H2 TIP3 12723 -21.673 -7.688 19.555 1.00 0.00 WAT +ATOM 44480 OH2 TIP3 12724 -8.803 -18.201 29.787 1.00 0.00 WAT +ATOM 44481 H1 TIP3 12724 -9.271 -17.812 29.035 1.00 0.00 WAT +ATOM 44482 H2 TIP3 12724 -8.733 -19.134 29.505 1.00 0.00 WAT +ATOM 44483 OH2 TIP3 12725 -21.836 -11.544 27.949 1.00 0.00 WAT +ATOM 44484 H1 TIP3 12725 -21.531 -12.034 28.741 1.00 0.00 WAT +ATOM 44485 H2 TIP3 12725 -22.536 -12.115 27.592 1.00 0.00 WAT +ATOM 44486 OH2 TIP3 12726 -18.619 -23.096 23.686 1.00 0.00 WAT +ATOM 44487 H1 TIP3 12726 -19.436 -23.145 23.158 1.00 0.00 WAT +ATOM 44488 H2 TIP3 12726 -18.838 -22.349 24.264 1.00 0.00 WAT +ATOM 44489 OH2 TIP3 12727 -14.248 -23.509 27.324 1.00 0.00 WAT +ATOM 44490 H1 TIP3 12727 -13.720 -24.033 27.958 1.00 0.00 WAT +ATOM 44491 H2 TIP3 12727 -15.153 -23.850 27.454 1.00 0.00 WAT +ATOM 44492 OH2 TIP3 12728 -11.099 -19.727 27.832 1.00 0.00 WAT +ATOM 44493 H1 TIP3 12728 -11.694 -19.868 28.591 1.00 0.00 WAT +ATOM 44494 H2 TIP3 12728 -11.142 -18.766 27.686 1.00 0.00 WAT +ATOM 44495 OH2 TIP3 12729 -14.415 -21.024 14.504 1.00 0.00 WAT +ATOM 44496 H1 TIP3 12729 -14.961 -20.954 15.289 1.00 0.00 WAT +ATOM 44497 H2 TIP3 12729 -14.918 -21.611 13.928 1.00 0.00 WAT +ATOM 44498 OH2 TIP3 12730 -18.770 -18.298 25.072 1.00 0.00 WAT +ATOM 44499 H1 TIP3 12730 -19.312 -18.168 25.865 1.00 0.00 WAT +ATOM 44500 H2 TIP3 12730 -18.674 -17.384 24.726 1.00 0.00 WAT +ATOM 44501 OH2 TIP3 12731 -18.805 -18.218 19.962 1.00 0.00 WAT +ATOM 44502 H1 TIP3 12731 -19.760 -18.294 19.790 1.00 0.00 WAT +ATOM 44503 H2 TIP3 12731 -18.452 -18.398 19.066 1.00 0.00 WAT +ATOM 44504 OH2 TIP3 12732 -13.501 -17.157 18.557 1.00 0.00 WAT +ATOM 44505 H1 TIP3 12732 -13.829 -16.784 17.730 1.00 0.00 WAT +ATOM 44506 H2 TIP3 12732 -12.584 -17.360 18.287 1.00 0.00 WAT +ATOM 44507 OH2 TIP3 12733 -14.033 -17.431 30.134 1.00 0.00 WAT +ATOM 44508 H1 TIP3 12733 -14.526 -18.213 30.458 1.00 0.00 WAT +ATOM 44509 H2 TIP3 12733 -13.145 -17.589 30.507 1.00 0.00 WAT +ATOM 44510 OH2 TIP3 12734 -12.452 -18.257 21.391 1.00 0.00 WAT +ATOM 44511 H1 TIP3 12734 -12.604 -17.663 20.636 1.00 0.00 WAT +ATOM 44512 H2 TIP3 12734 -12.122 -19.054 20.925 1.00 0.00 WAT +ATOM 44513 OH2 TIP3 12735 -21.476 -18.100 26.953 1.00 0.00 WAT +ATOM 44514 H1 TIP3 12735 -21.075 -17.851 27.794 1.00 0.00 WAT +ATOM 44515 H2 TIP3 12735 -21.761 -19.013 27.135 1.00 0.00 WAT +ATOM 44516 OH2 TIP3 12736 -18.021 -20.466 13.459 1.00 0.00 WAT +ATOM 44517 H1 TIP3 12736 -18.437 -20.901 14.223 1.00 0.00 WAT +ATOM 44518 H2 TIP3 12736 -18.769 -20.385 12.841 1.00 0.00 WAT +ATOM 44519 OH2 TIP3 12737 -24.595 -20.688 20.595 1.00 0.00 WAT +ATOM 44520 H1 TIP3 12737 -23.947 -20.698 21.321 1.00 0.00 WAT +ATOM 44521 H2 TIP3 12737 -24.090 -21.020 19.834 1.00 0.00 WAT +ATOM 44522 OH2 TIP3 12738 -22.951 -20.167 16.303 1.00 0.00 WAT +ATOM 44523 H1 TIP3 12738 -22.448 -19.719 15.587 1.00 0.00 WAT +ATOM 44524 H2 TIP3 12738 -23.684 -19.543 16.414 1.00 0.00 WAT +ATOM 44525 OH2 TIP3 12739 -13.284 -16.557 25.947 1.00 0.00 WAT +ATOM 44526 H1 TIP3 12739 -12.842 -17.274 25.432 1.00 0.00 WAT +ATOM 44527 H2 TIP3 12739 -13.565 -17.044 26.733 1.00 0.00 WAT +ATOM 44528 OH2 TIP3 12740 -16.054 -20.641 20.987 1.00 0.00 WAT +ATOM 44529 H1 TIP3 12740 -16.995 -20.661 21.224 1.00 0.00 WAT +ATOM 44530 H2 TIP3 12740 -15.628 -20.821 21.843 1.00 0.00 WAT +ATOM 44531 OH2 TIP3 12741 -21.514 -19.417 19.695 1.00 0.00 WAT +ATOM 44532 H1 TIP3 12741 -22.298 -19.130 19.194 1.00 0.00 WAT +ATOM 44533 H2 TIP3 12741 -21.196 -20.185 19.184 1.00 0.00 WAT +ATOM 44534 OH2 TIP3 12742 -17.844 -18.985 17.331 1.00 0.00 WAT +ATOM 44535 H1 TIP3 12742 -16.874 -18.924 17.339 1.00 0.00 WAT +ATOM 44536 H2 TIP3 12742 -18.097 -18.468 16.544 1.00 0.00 WAT +ATOM 44537 OH2 TIP3 12743 -11.646 -21.521 24.047 1.00 0.00 WAT +ATOM 44538 H1 TIP3 12743 -12.311 -21.480 24.767 1.00 0.00 WAT +ATOM 44539 H2 TIP3 12743 -12.209 -21.815 23.311 1.00 0.00 WAT +ATOM 44540 OH2 TIP3 12744 -19.272 -17.859 14.980 1.00 0.00 WAT +ATOM 44541 H1 TIP3 12744 -19.875 -18.212 14.311 1.00 0.00 WAT +ATOM 44542 H2 TIP3 12744 -18.480 -17.645 14.458 1.00 0.00 WAT +ATOM 44543 OH2 TIP3 12745 -8.677 -5.688 30.684 1.00 0.00 WAT +ATOM 44544 H1 TIP3 12745 -8.443 -5.275 29.834 1.00 0.00 WAT +ATOM 44545 H2 TIP3 12745 -7.928 -5.427 31.246 1.00 0.00 WAT +ATOM 44546 OH2 TIP3 12746 -20.753 -13.084 30.105 1.00 0.00 WAT +ATOM 44547 H1 TIP3 12746 -20.067 -13.008 30.802 1.00 0.00 WAT +ATOM 44548 H2 TIP3 12746 -21.550 -13.115 30.668 1.00 0.00 WAT +ATOM 44549 OH2 TIP3 12747 -15.041 -18.078 22.809 1.00 0.00 WAT +ATOM 44550 H1 TIP3 12747 -14.285 -18.483 22.350 1.00 0.00 WAT +ATOM 44551 H2 TIP3 12747 -15.163 -18.689 23.562 1.00 0.00 WAT +ATOM 44552 OH2 TIP3 12748 -19.726 -21.666 19.010 1.00 0.00 WAT +ATOM 44553 H1 TIP3 12748 -20.287 -22.452 19.114 1.00 0.00 WAT +ATOM 44554 H2 TIP3 12748 -18.937 -22.028 18.585 1.00 0.00 WAT +ATOM 44555 OH2 TIP3 12749 -16.080 -19.649 25.071 1.00 0.00 WAT +ATOM 44556 H1 TIP3 12749 -16.833 -19.038 25.085 1.00 0.00 WAT +ATOM 44557 H2 TIP3 12749 -15.567 -19.391 25.864 1.00 0.00 WAT +ATOM 44558 OH2 TIP3 12750 -15.633 -13.782 17.272 1.00 0.00 WAT +ATOM 44559 H1 TIP3 12750 -15.937 -13.826 16.349 1.00 0.00 WAT +ATOM 44560 H2 TIP3 12750 -15.749 -12.837 17.441 1.00 0.00 WAT +ATOM 44561 OH2 TIP3 12751 -8.713 -14.046 25.724 1.00 0.00 WAT +ATOM 44562 H1 TIP3 12751 -8.181 -13.543 25.071 1.00 0.00 WAT +ATOM 44563 H2 TIP3 12751 -9.537 -14.201 25.217 1.00 0.00 WAT +ATOM 44564 OH2 TIP3 12752 -11.816 -20.315 14.982 1.00 0.00 WAT +ATOM 44565 H1 TIP3 12752 -12.728 -20.180 14.651 1.00 0.00 WAT +ATOM 44566 H2 TIP3 12752 -11.576 -19.430 15.309 1.00 0.00 WAT +ATOM 44567 OH2 TIP3 12753 -14.280 -13.232 28.291 1.00 0.00 WAT +ATOM 44568 H1 TIP3 12753 -14.585 -13.549 29.151 1.00 0.00 WAT +ATOM 44569 H2 TIP3 12753 -14.580 -12.311 28.281 1.00 0.00 WAT +ATOM 44570 OH2 TIP3 12754 -11.145 -18.176 16.766 1.00 0.00 WAT +ATOM 44571 H1 TIP3 12754 -10.342 -18.551 17.172 1.00 0.00 WAT +ATOM 44572 H2 TIP3 12754 -10.756 -17.464 16.244 1.00 0.00 WAT +ATOM 44573 OH2 TIP3 12755 -20.784 -13.849 22.782 1.00 0.00 WAT +ATOM 44574 H1 TIP3 12755 -20.234 -13.949 21.984 1.00 0.00 WAT +ATOM 44575 H2 TIP3 12755 -20.670 -14.714 23.206 1.00 0.00 WAT +ATOM 44576 OH2 TIP3 12756 -23.559 -15.549 28.071 1.00 0.00 WAT +ATOM 44577 H1 TIP3 12756 -23.350 -16.014 28.907 1.00 0.00 WAT +ATOM 44578 H2 TIP3 12756 -24.108 -16.195 27.599 1.00 0.00 WAT +ATOM 44579 OH2 TIP3 12757 -16.548 -16.054 30.020 1.00 0.00 WAT +ATOM 44580 H1 TIP3 12757 -16.869 -16.308 29.138 1.00 0.00 WAT +ATOM 44581 H2 TIP3 12757 -15.621 -16.355 29.962 1.00 0.00 WAT +ATOM 44582 OH2 TIP3 12758 -12.014 -10.644 27.751 1.00 0.00 WAT +ATOM 44583 H1 TIP3 12758 -12.980 -10.567 27.677 1.00 0.00 WAT +ATOM 44584 H2 TIP3 12758 -11.863 -10.393 28.675 1.00 0.00 WAT +ATOM 44585 OH2 TIP3 12759 -6.520 -18.427 16.363 1.00 0.00 WAT +ATOM 44586 H1 TIP3 12759 -7.091 -18.626 15.600 1.00 0.00 WAT +ATOM 44587 H2 TIP3 12759 -6.466 -17.445 16.288 1.00 0.00 WAT +ATOM 44588 OH2 TIP3 12760 -6.027 -12.515 29.337 1.00 0.00 WAT +ATOM 44589 H1 TIP3 12760 -6.963 -12.332 29.107 1.00 0.00 WAT +ATOM 44590 H2 TIP3 12760 -5.675 -12.759 28.456 1.00 0.00 WAT +ATOM 44591 OH2 TIP3 12761 -11.000 -14.658 24.033 1.00 0.00 WAT +ATOM 44592 H1 TIP3 12761 -11.914 -14.794 23.734 1.00 0.00 WAT +ATOM 44593 H2 TIP3 12761 -10.559 -15.390 23.540 1.00 0.00 WAT +ATOM 44594 OH2 TIP3 12762 -18.430 -10.452 20.107 1.00 0.00 WAT +ATOM 44595 H1 TIP3 12762 -17.938 -9.657 19.825 1.00 0.00 WAT +ATOM 44596 H2 TIP3 12762 -19.273 -10.295 19.672 1.00 0.00 WAT +ATOM 44597 OH2 TIP3 12763 -22.465 -15.751 14.582 1.00 0.00 WAT +ATOM 44598 H1 TIP3 12763 -21.881 -15.120 15.043 1.00 0.00 WAT +ATOM 44599 H2 TIP3 12763 -23.342 -15.465 14.885 1.00 0.00 WAT +ATOM 44600 OH2 TIP3 12764 -16.607 -12.977 19.891 1.00 0.00 WAT +ATOM 44601 H1 TIP3 12764 -16.815 -12.041 19.737 1.00 0.00 WAT +ATOM 44602 H2 TIP3 12764 -17.499 -13.344 20.002 1.00 0.00 WAT +ATOM 44603 OH2 TIP3 12765 -16.415 -8.610 26.041 1.00 0.00 WAT +ATOM 44604 H1 TIP3 12765 -15.850 -7.893 25.707 1.00 0.00 WAT +ATOM 44605 H2 TIP3 12765 -15.778 -9.124 26.562 1.00 0.00 WAT +ATOM 44606 OH2 TIP3 12766 -17.910 -7.770 19.225 1.00 0.00 WAT +ATOM 44607 H1 TIP3 12766 -18.798 -7.640 18.864 1.00 0.00 WAT +ATOM 44608 H2 TIP3 12766 -17.579 -6.863 19.222 1.00 0.00 WAT +ATOM 44609 OH2 TIP3 12767 -12.988 -12.896 25.580 1.00 0.00 WAT +ATOM 44610 H1 TIP3 12767 -13.260 -13.180 26.470 1.00 0.00 WAT +ATOM 44611 H2 TIP3 12767 -12.236 -13.485 25.399 1.00 0.00 WAT +ATOM 44612 OH2 TIP3 12768 -10.075 -8.279 28.019 1.00 0.00 WAT +ATOM 44613 H1 TIP3 12768 -10.807 -8.757 27.583 1.00 0.00 WAT +ATOM 44614 H2 TIP3 12768 -9.947 -7.516 27.424 1.00 0.00 WAT +ATOM 44615 OH2 TIP3 12769 -22.209 -20.914 27.666 1.00 0.00 WAT +ATOM 44616 H1 TIP3 12769 -23.118 -20.674 27.401 1.00 0.00 WAT +ATOM 44617 H2 TIP3 12769 -22.347 -21.788 28.071 1.00 0.00 WAT +ATOM 44618 OH2 TIP3 12770 -22.481 -9.171 26.082 1.00 0.00 WAT +ATOM 44619 H1 TIP3 12770 -22.127 -10.065 26.191 1.00 0.00 WAT +ATOM 44620 H2 TIP3 12770 -22.205 -8.775 26.919 1.00 0.00 WAT +ATOM 44621 OH2 TIP3 12771 -21.196 -13.805 16.297 1.00 0.00 WAT +ATOM 44622 H1 TIP3 12771 -21.810 -13.231 16.794 1.00 0.00 WAT +ATOM 44623 H2 TIP3 12771 -20.543 -13.181 15.949 1.00 0.00 WAT +ATOM 44624 OH2 TIP3 12772 -13.261 -21.077 26.222 1.00 0.00 WAT +ATOM 44625 H1 TIP3 12772 -12.612 -20.814 26.891 1.00 0.00 WAT +ATOM 44626 H2 TIP3 12772 -13.725 -21.827 26.643 1.00 0.00 WAT +ATOM 44627 OH2 TIP3 12773 -12.596 -21.640 17.379 1.00 0.00 WAT +ATOM 44628 H1 TIP3 12773 -12.390 -21.137 16.559 1.00 0.00 WAT +ATOM 44629 H2 TIP3 12773 -12.121 -21.115 18.044 1.00 0.00 WAT +ATOM 44630 OH2 TIP3 12774 -14.749 -9.728 16.674 1.00 0.00 WAT +ATOM 44631 H1 TIP3 12774 -15.638 -9.399 16.506 1.00 0.00 WAT +ATOM 44632 H2 TIP3 12774 -14.232 -9.213 16.035 1.00 0.00 WAT +ATOM 44633 OH2 TIP3 12775 -15.138 -19.636 18.415 1.00 0.00 WAT +ATOM 44634 H1 TIP3 12775 -14.428 -18.978 18.518 1.00 0.00 WAT +ATOM 44635 H2 TIP3 12775 -15.419 -19.785 19.336 1.00 0.00 WAT +ATOM 44636 OH2 TIP3 12776 -14.849 -18.746 27.588 1.00 0.00 WAT +ATOM 44637 H1 TIP3 12776 -14.761 -18.222 28.400 1.00 0.00 WAT +ATOM 44638 H2 TIP3 12776 -14.285 -19.507 27.780 1.00 0.00 WAT +ATOM 44639 OH2 TIP3 12777 -14.597 -22.653 19.317 1.00 0.00 WAT +ATOM 44640 H1 TIP3 12777 -14.793 -21.980 19.998 1.00 0.00 WAT +ATOM 44641 H2 TIP3 12777 -13.858 -22.217 18.845 1.00 0.00 WAT +ATOM 44642 OH2 TIP3 12778 -18.834 -21.626 15.879 1.00 0.00 WAT +ATOM 44643 H1 TIP3 12778 -18.932 -20.822 16.413 1.00 0.00 WAT +ATOM 44644 H2 TIP3 12778 -17.976 -21.965 16.195 1.00 0.00 WAT +ATOM 44645 OH2 TIP3 12779 -8.556 -20.727 28.471 1.00 0.00 WAT +ATOM 44646 H1 TIP3 12779 -9.508 -20.598 28.290 1.00 0.00 WAT +ATOM 44647 H2 TIP3 12779 -8.267 -20.932 27.567 1.00 0.00 WAT +ATOM 44648 OH2 TIP3 12780 -10.170 -16.877 22.640 1.00 0.00 WAT +ATOM 44649 H1 TIP3 12780 -10.782 -17.375 22.078 1.00 0.00 WAT +ATOM 44650 H2 TIP3 12780 -9.485 -17.551 22.828 1.00 0.00 WAT +ATOM 44651 OH2 TIP3 12781 -22.305 -18.596 14.083 1.00 0.00 WAT +ATOM 44652 H1 TIP3 12781 -22.206 -17.630 14.190 1.00 0.00 WAT +ATOM 44653 H2 TIP3 12781 -22.983 -18.647 13.383 1.00 0.00 WAT +ATOM 44654 OH2 TIP3 12782 -9.093 -7.681 24.002 1.00 0.00 WAT +ATOM 44655 H1 TIP3 12782 -9.147 -7.188 23.173 1.00 0.00 WAT +ATOM 44656 H2 TIP3 12782 -8.134 -7.810 24.077 1.00 0.00 WAT +ATOM 44657 OH2 TIP3 12783 -21.417 -23.517 22.861 1.00 0.00 WAT +ATOM 44658 H1 TIP3 12783 -21.580 -23.543 21.895 1.00 0.00 WAT +ATOM 44659 H2 TIP3 12783 -21.749 -24.386 23.154 1.00 0.00 WAT +ATOM 44660 OH2 TIP3 12784 -22.688 -9.793 18.765 1.00 0.00 WAT +ATOM 44661 H1 TIP3 12784 -23.340 -9.143 19.053 1.00 0.00 WAT +ATOM 44662 H2 TIP3 12784 -22.024 -9.259 18.311 1.00 0.00 WAT +ATOM 44663 OH2 TIP3 12785 -23.113 -7.119 30.280 1.00 0.00 WAT +ATOM 44664 H1 TIP3 12785 -22.526 -7.403 31.008 1.00 0.00 WAT +ATOM 44665 H2 TIP3 12785 -23.495 -7.974 29.998 1.00 0.00 WAT +ATOM 44666 OH2 TIP3 12786 -18.417 -8.056 32.067 1.00 0.00 WAT +ATOM 44667 H1 TIP3 12786 -17.730 -8.706 32.279 1.00 0.00 WAT +ATOM 44668 H2 TIP3 12786 -18.648 -8.322 31.161 1.00 0.00 WAT +ATOM 44669 OH2 TIP3 12787 -11.984 -9.771 30.665 1.00 0.00 WAT +ATOM 44670 H1 TIP3 12787 -12.366 -10.606 30.993 1.00 0.00 WAT +ATOM 44671 H2 TIP3 12787 -11.270 -9.600 31.297 1.00 0.00 WAT +ATOM 44672 OH2 TIP3 12788 -23.162 -13.488 31.403 1.00 0.00 WAT +ATOM 44673 H1 TIP3 12788 -23.062 -14.401 31.087 1.00 0.00 WAT +ATOM 44674 H2 TIP3 12788 -23.927 -13.192 30.874 1.00 0.00 WAT +ATOM 44675 OH2 TIP3 12789 -16.534 -13.301 30.749 1.00 0.00 WAT +ATOM 44676 H1 TIP3 12789 -16.827 -12.975 29.881 1.00 0.00 WAT +ATOM 44677 H2 TIP3 12789 -16.453 -14.266 30.597 1.00 0.00 WAT +ATOM 44678 OH2 TIP3 12790 -11.163 -13.683 28.152 1.00 0.00 WAT +ATOM 44679 H1 TIP3 12790 -10.374 -13.179 27.901 1.00 0.00 WAT +ATOM 44680 H2 TIP3 12790 -11.847 -12.996 28.106 1.00 0.00 WAT +ATOM 44681 OH2 TIP3 12791 -22.301 -16.355 30.572 1.00 0.00 WAT +ATOM 44682 H1 TIP3 12791 -21.563 -16.991 30.562 1.00 0.00 WAT +ATOM 44683 H2 TIP3 12791 -22.336 -16.148 31.521 1.00 0.00 WAT +ATOM 44684 OH2 TIP3 12792 -17.980 -14.944 15.746 1.00 0.00 WAT +ATOM 44685 H1 TIP3 12792 -18.362 -15.650 16.268 1.00 0.00 WAT +ATOM 44686 H2 TIP3 12792 -17.541 -15.426 15.025 1.00 0.00 WAT +ATOM 44687 OH2 TIP3 12793 -18.678 -17.237 27.972 1.00 0.00 WAT +ATOM 44688 H1 TIP3 12793 -19.161 -16.425 28.209 1.00 0.00 WAT +ATOM 44689 H2 TIP3 12793 -17.981 -16.885 27.388 1.00 0.00 WAT +ATOM 44690 OH2 TIP3 12794 -16.608 -16.888 13.989 1.00 0.00 WAT +ATOM 44691 H1 TIP3 12794 -16.603 -16.783 13.027 1.00 0.00 WAT +ATOM 44692 H2 TIP3 12794 -15.656 -16.787 14.179 1.00 0.00 WAT +ATOM 44693 OH2 TIP3 12795 -13.316 -14.511 31.592 1.00 0.00 WAT +ATOM 44694 H1 TIP3 12795 -12.440 -14.723 31.234 1.00 0.00 WAT +ATOM 44695 H2 TIP3 12795 -13.593 -15.370 31.941 1.00 0.00 WAT +ATOM 44696 OH2 TIP3 12796 -18.055 -19.928 29.150 1.00 0.00 WAT +ATOM 44697 H1 TIP3 12796 -17.971 -20.595 28.444 1.00 0.00 WAT +ATOM 44698 H2 TIP3 12796 -18.244 -19.125 28.634 1.00 0.00 WAT +ATOM 44699 OH2 TIP3 12797 -17.718 -21.463 26.608 1.00 0.00 WAT +ATOM 44700 H1 TIP3 12797 -17.187 -20.947 25.969 1.00 0.00 WAT +ATOM 44701 H2 TIP3 12797 -18.620 -21.430 26.229 1.00 0.00 WAT +ATOM 44702 OH2 TIP3 12798 -16.176 -16.021 27.011 1.00 0.00 WAT +ATOM 44703 H1 TIP3 12798 -15.337 -16.123 26.536 1.00 0.00 WAT +ATOM 44704 H2 TIP3 12798 -16.468 -15.144 26.691 1.00 0.00 WAT +ATOM 44705 OH2 TIP3 12799 -11.578 -18.080 31.809 1.00 0.00 WAT +ATOM 44706 H1 TIP3 12799 -11.363 -19.021 31.900 1.00 0.00 WAT +ATOM 44707 H2 TIP3 12799 -10.693 -17.697 31.702 1.00 0.00 WAT +ATOM 44708 OH2 TIP3 12800 -10.633 -15.283 30.298 1.00 0.00 WAT +ATOM 44709 H1 TIP3 12800 -10.962 -14.684 29.594 1.00 0.00 WAT +ATOM 44710 H2 TIP3 12800 -9.735 -15.457 29.948 1.00 0.00 WAT +ATOM 44711 OH2 TIP3 12801 -19.850 -18.080 30.929 1.00 0.00 WAT +ATOM 44712 H1 TIP3 12801 -20.372 -18.902 30.947 1.00 0.00 WAT +ATOM 44713 H2 TIP3 12801 -19.032 -18.381 30.503 1.00 0.00 WAT +ATOM 44714 OH2 TIP3 12802 -16.997 -24.137 26.958 1.00 0.00 WAT +ATOM 44715 H1 TIP3 12802 -17.162 -23.184 26.791 1.00 0.00 WAT +ATOM 44716 H2 TIP3 12802 -17.694 -24.549 26.414 1.00 0.00 WAT +ATOM 44717 OH2 TIP3 12803 -15.736 -19.553 30.752 1.00 0.00 WAT +ATOM 44718 H1 TIP3 12803 -16.086 -19.793 31.628 1.00 0.00 WAT +ATOM 44719 H2 TIP3 12803 -16.521 -19.760 30.203 1.00 0.00 WAT +ATOM 44720 OH2 TIP3 12804 -13.187 -20.506 29.623 1.00 0.00 WAT +ATOM 44721 H1 TIP3 12804 -14.075 -20.482 30.022 1.00 0.00 WAT +ATOM 44722 H2 TIP3 12804 -12.726 -21.152 30.193 1.00 0.00 WAT +ATOM 44723 OH2 TIP3 12805 -11.349 -22.031 31.339 1.00 0.00 WAT +ATOM 44724 H1 TIP3 12805 -11.497 -22.986 31.493 1.00 0.00 WAT +ATOM 44725 H2 TIP3 12805 -11.524 -21.633 32.211 1.00 0.00 WAT +ATOM 44726 OH2 TIP3 12806 -21.185 -20.624 30.783 1.00 0.00 WAT +ATOM 44727 H1 TIP3 12806 -21.244 -21.334 30.123 1.00 0.00 WAT +ATOM 44728 H2 TIP3 12806 -21.384 -21.107 31.608 1.00 0.00 WAT +ATOM 44729 OH2 TIP3 12807 -17.152 -24.642 29.768 1.00 0.00 WAT +ATOM 44730 H1 TIP3 12807 -16.566 -25.414 29.825 1.00 0.00 WAT +ATOM 44731 H2 TIP3 12807 -17.173 -24.496 28.801 1.00 0.00 WAT +ATOM 44732 OH2 TIP3 12808 -16.204 -22.776 31.615 1.00 0.00 WAT +ATOM 44733 H1 TIP3 12808 -16.504 -23.375 30.900 1.00 0.00 WAT +ATOM 44734 H2 TIP3 12808 -16.910 -22.115 31.646 1.00 0.00 WAT +ATOM 44735 OH2 TIP3 12809 -24.428 -6.110 19.414 1.00 0.00 WAT +ATOM 44736 H1 TIP3 12809 -25.120 -6.537 18.885 1.00 0.00 WAT +ATOM 44737 H2 TIP3 12809 -24.179 -6.808 20.039 1.00 0.00 WAT +ATOM 44738 OH2 TIP3 12810 -23.936 -8.189 21.348 1.00 0.00 WAT +ATOM 44739 H1 TIP3 12810 -24.036 -9.078 21.722 1.00 0.00 WAT +ATOM 44740 H2 TIP3 12810 -23.488 -7.752 22.091 1.00 0.00 WAT +ATOM 44741 OH2 TIP3 12811 -6.292 -6.717 24.422 1.00 0.00 WAT +ATOM 44742 H1 TIP3 12811 -6.027 -6.968 25.315 1.00 0.00 WAT +ATOM 44743 H2 TIP3 12811 -5.439 -6.636 23.968 1.00 0.00 WAT +ATOM 44744 OH2 TIP3 12812 -6.397 -7.410 27.309 1.00 0.00 WAT +ATOM 44745 H1 TIP3 12812 -6.915 -8.122 26.886 1.00 0.00 WAT +ATOM 44746 H2 TIP3 12812 -5.823 -7.942 27.882 1.00 0.00 WAT +ATOM 44747 OH2 TIP3 12813 -8.386 -11.964 31.547 1.00 0.00 WAT +ATOM 44748 H1 TIP3 12813 -9.268 -11.930 31.951 1.00 0.00 WAT +ATOM 44749 H2 TIP3 12813 -7.953 -11.155 31.858 1.00 0.00 WAT +ATOM 44750 OH2 TIP3 12814 -6.808 -12.607 24.227 1.00 0.00 WAT +ATOM 44751 H1 TIP3 12814 -6.232 -13.147 23.657 1.00 0.00 WAT +ATOM 44752 H2 TIP3 12814 -6.660 -11.718 23.863 1.00 0.00 WAT +ATOM 44753 OH2 TIP3 12815 -8.096 -9.675 26.466 1.00 0.00 WAT +ATOM 44754 H1 TIP3 12815 -8.861 -9.331 26.952 1.00 0.00 WAT +ATOM 44755 H2 TIP3 12815 -8.530 -10.071 25.678 1.00 0.00 WAT +ATOM 44756 OH2 TIP3 12816 -8.205 -17.116 20.347 1.00 0.00 WAT +ATOM 44757 H1 TIP3 12816 -8.560 -17.556 19.570 1.00 0.00 WAT +ATOM 44758 H2 TIP3 12816 -8.892 -16.487 20.582 1.00 0.00 WAT +ATOM 44759 OH2 TIP3 12817 -23.782 -14.733 23.785 1.00 0.00 WAT +ATOM 44760 H1 TIP3 12817 -23.536 -14.735 22.842 1.00 0.00 WAT +ATOM 44761 H2 TIP3 12817 -22.919 -14.985 24.179 1.00 0.00 WAT +ATOM 44762 OH2 TIP3 12818 -8.008 -15.050 29.261 1.00 0.00 WAT +ATOM 44763 H1 TIP3 12818 -7.274 -15.687 29.323 1.00 0.00 WAT +ATOM 44764 H2 TIP3 12818 -7.547 -14.246 28.986 1.00 0.00 WAT +ATOM 44765 OH2 TIP3 12819 -6.473 -16.984 30.520 1.00 0.00 WAT +ATOM 44766 H1 TIP3 12819 -7.246 -17.501 30.211 1.00 0.00 WAT +ATOM 44767 H2 TIP3 12819 -5.752 -17.634 30.419 1.00 0.00 WAT +ATOM 44768 OH2 TIP3 12820 -8.540 -20.579 13.441 1.00 0.00 WAT +ATOM 44769 H1 TIP3 12820 -7.970 -21.194 13.916 1.00 0.00 WAT +ATOM 44770 H2 TIP3 12820 -9.325 -21.082 13.190 1.00 0.00 WAT +ATOM 44771 OH2 TIP3 12821 -8.877 -19.359 18.220 1.00 0.00 WAT +ATOM 44772 H1 TIP3 12821 -8.531 -20.272 18.284 1.00 0.00 WAT +ATOM 44773 H2 TIP3 12821 -8.120 -18.918 17.797 1.00 0.00 WAT +ATOM 44774 OH2 TIP3 12822 -8.509 -18.957 23.693 1.00 0.00 WAT +ATOM 44775 H1 TIP3 12822 -7.553 -18.791 23.560 1.00 0.00 WAT +ATOM 44776 H2 TIP3 12822 -8.577 -18.849 24.654 1.00 0.00 WAT +ATOM 44777 OH2 TIP3 12823 -8.338 -18.178 26.553 1.00 0.00 WAT +ATOM 44778 H1 TIP3 12823 -9.199 -17.767 26.750 1.00 0.00 WAT +ATOM 44779 H2 TIP3 12823 -7.802 -17.409 26.278 1.00 0.00 WAT +ATOM 44780 OH2 TIP3 12824 -23.850 -19.431 30.171 1.00 0.00 WAT +ATOM 44781 H1 TIP3 12824 -22.911 -19.687 30.210 1.00 0.00 WAT +ATOM 44782 H2 TIP3 12824 -24.285 -20.301 30.236 1.00 0.00 WAT +ATOM 44783 OH2 TIP3 12825 -5.780 -24.048 31.795 1.00 0.00 WAT +ATOM 44784 H1 TIP3 12825 -5.369 -24.731 31.232 1.00 0.00 WAT +ATOM 44785 H2 TIP3 12825 -5.756 -23.268 31.208 1.00 0.00 WAT +ATOM 44786 OH2 TIP3 12826 -8.277 -22.205 18.226 1.00 0.00 WAT +ATOM 44787 H1 TIP3 12826 -8.105 -22.544 19.123 1.00 0.00 WAT +ATOM 44788 H2 TIP3 12826 -9.055 -22.725 17.953 1.00 0.00 WAT +ATOM 44789 OH2 TIP3 12827 -23.089 -21.099 23.010 1.00 0.00 WAT +ATOM 44790 H1 TIP3 12827 -22.621 -21.952 23.040 1.00 0.00 WAT +ATOM 44791 H2 TIP3 12827 -22.385 -20.497 23.319 1.00 0.00 WAT +ATOM 44792 OH2 TIP3 12828 -24.549 -18.407 24.014 1.00 0.00 WAT +ATOM 44793 H1 TIP3 12828 -23.964 -18.496 23.244 1.00 0.00 WAT +ATOM 44794 H2 TIP3 12828 -24.139 -17.659 24.465 1.00 0.00 WAT +ATOM 44795 OH2 TIP3 12829 -6.423 -21.993 30.056 1.00 0.00 WAT +ATOM 44796 H1 TIP3 12829 -7.301 -21.572 30.050 1.00 0.00 WAT +ATOM 44797 H2 TIP3 12829 -6.493 -22.537 29.250 1.00 0.00 WAT +ATOM 44798 OH2 TIP3 12830 -6.316 -21.900 14.926 1.00 0.00 WAT +ATOM 44799 H1 TIP3 12830 -5.923 -22.603 14.382 1.00 0.00 WAT +ATOM 44800 H2 TIP3 12830 -5.572 -21.281 15.029 1.00 0.00 WAT +ATOM 44801 OH2 TIP3 12831 -24.042 -22.048 18.093 1.00 0.00 WAT +ATOM 44802 H1 TIP3 12831 -24.981 -22.034 17.844 1.00 0.00 WAT +ATOM 44803 H2 TIP3 12831 -23.626 -21.478 17.414 1.00 0.00 WAT +ATOM 44804 OH2 TIP3 12832 -23.994 -23.181 26.236 1.00 0.00 WAT +ATOM 44805 H1 TIP3 12832 -24.706 -23.482 26.814 1.00 0.00 WAT +ATOM 44806 H2 TIP3 12832 -24.492 -22.684 25.562 1.00 0.00 WAT +ATOM 44807 OH2 TIP3 12833 -22.007 -10.082 30.907 1.00 0.00 WAT +ATOM 44808 H1 TIP3 12833 -22.721 -10.142 30.257 1.00 0.00 WAT +ATOM 44809 H2 TIP3 12833 -22.478 -10.158 31.747 1.00 0.00 WAT +ATOM 44810 OH2 TIP3 12834 -19.183 -9.111 26.585 1.00 0.00 WAT +ATOM 44811 H1 TIP3 12834 -19.466 -8.260 26.205 1.00 0.00 WAT +ATOM 44812 H2 TIP3 12834 -18.222 -9.049 26.403 1.00 0.00 WAT +ATOM 44813 OH2 TIP3 12835 -14.677 -7.807 29.592 1.00 0.00 WAT +ATOM 44814 H1 TIP3 12835 -14.503 -7.993 30.527 1.00 0.00 WAT +ATOM 44815 H2 TIP3 12835 -13.847 -7.367 29.318 1.00 0.00 WAT +ATOM 44816 OH2 TIP3 12836 -12.398 -6.317 28.807 1.00 0.00 WAT +ATOM 44817 H1 TIP3 12836 -11.723 -6.956 28.527 1.00 0.00 WAT +ATOM 44818 H2 TIP3 12836 -12.074 -6.064 29.692 1.00 0.00 WAT +ATOM 44819 OH2 TIP3 12837 -7.568 -23.776 28.042 1.00 0.00 WAT +ATOM 44820 H1 TIP3 12837 -8.343 -23.565 27.495 1.00 0.00 WAT +ATOM 44821 H2 TIP3 12837 -7.322 -24.662 27.700 1.00 0.00 WAT +ATOM 44822 OH2 TIP3 12838 -21.793 -6.157 26.903 1.00 0.00 WAT +ATOM 44823 H1 TIP3 12838 -22.402 -5.545 26.454 1.00 0.00 WAT +ATOM 44824 H2 TIP3 12838 -22.152 -6.144 27.798 1.00 0.00 WAT +ATOM 44825 OH2 TIP3 12839 -19.302 -6.403 25.481 1.00 0.00 WAT +ATOM 44826 H1 TIP3 12839 -20.160 -6.196 25.898 1.00 0.00 WAT +ATOM 44827 H2 TIP3 12839 -19.254 -5.751 24.757 1.00 0.00 WAT +ATOM 44828 OH2 TIP3 12840 -14.535 -6.403 24.994 1.00 0.00 WAT +ATOM 44829 H1 TIP3 12840 -14.898 -5.970 24.194 1.00 0.00 WAT +ATOM 44830 H2 TIP3 12840 -14.453 -5.646 25.595 1.00 0.00 WAT +ATOM 44831 OH2 TIP3 12841 -12.228 -7.690 25.980 1.00 0.00 WAT +ATOM 44832 H1 TIP3 12841 -13.064 -7.365 25.597 1.00 0.00 WAT +ATOM 44833 H2 TIP3 12841 -11.648 -6.927 25.855 1.00 0.00 WAT +ATOM 44834 OH2 TIP3 12842 -9.664 -5.989 26.183 1.00 0.00 WAT +ATOM 44835 H1 TIP3 12842 -9.785 -5.088 25.841 1.00 0.00 WAT +ATOM 44836 H2 TIP3 12842 -9.416 -6.481 25.367 1.00 0.00 WAT +ATOM 44837 OH2 TIP3 12843 -22.328 -7.392 23.843 1.00 0.00 WAT +ATOM 44838 H1 TIP3 12843 -22.295 -7.839 24.715 1.00 0.00 WAT +ATOM 44839 H2 TIP3 12843 -21.528 -7.775 23.421 1.00 0.00 WAT +ATOM 44840 OH2 TIP3 12844 -20.256 -8.577 22.404 1.00 0.00 WAT +ATOM 44841 H1 TIP3 12844 -20.319 -9.537 22.574 1.00 0.00 WAT +ATOM 44842 H2 TIP3 12844 -19.310 -8.409 22.585 1.00 0.00 WAT +ATOM 44843 OH2 TIP3 12845 -17.446 -8.052 23.150 1.00 0.00 WAT +ATOM 44844 H1 TIP3 12845 -17.183 -8.939 22.857 1.00 0.00 WAT +ATOM 44845 H2 TIP3 12845 -17.369 -8.139 24.111 1.00 0.00 WAT +ATOM 44846 OH2 TIP3 12846 -14.121 -22.264 22.467 1.00 0.00 WAT +ATOM 44847 H1 TIP3 12846 -14.798 -22.954 22.599 1.00 0.00 WAT +ATOM 44848 H2 TIP3 12846 -13.473 -22.720 21.903 1.00 0.00 WAT +ATOM 44849 OH2 TIP3 12847 -9.135 -24.239 22.942 1.00 0.00 WAT +ATOM 44850 H1 TIP3 12847 -8.371 -23.793 22.535 1.00 0.00 WAT +ATOM 44851 H2 TIP3 12847 -9.869 -23.920 22.396 1.00 0.00 WAT +ATOM 44852 OH2 TIP3 12848 -7.104 -23.155 20.745 1.00 0.00 WAT +ATOM 44853 H1 TIP3 12848 -6.336 -23.525 20.275 1.00 0.00 WAT +ATOM 44854 H2 TIP3 12848 -6.745 -22.269 20.974 1.00 0.00 WAT +ATOM 44855 OH2 TIP3 12849 -21.761 -23.576 20.065 1.00 0.00 WAT +ATOM 44856 H1 TIP3 12849 -22.611 -23.678 19.593 1.00 0.00 WAT +ATOM 44857 H2 TIP3 12849 -21.334 -24.431 19.876 1.00 0.00 WAT +ATOM 44858 OH2 TIP3 12850 -22.910 -24.102 15.937 1.00 0.00 WAT +ATOM 44859 H1 TIP3 12850 -22.403 -23.457 15.392 1.00 0.00 WAT +ATOM 44860 H2 TIP3 12850 -23.360 -23.511 16.559 1.00 0.00 WAT +ATOM 44861 OH2 TIP3 12851 -17.278 -23.789 19.877 1.00 0.00 WAT +ATOM 44862 H1 TIP3 12851 -16.387 -23.415 19.776 1.00 0.00 WAT +ATOM 44863 H2 TIP3 12851 -17.339 -23.870 20.836 1.00 0.00 WAT +ATOM 44864 OH2 TIP3 12852 -11.771 -23.674 21.303 1.00 0.00 WAT +ATOM 44865 H1 TIP3 12852 -11.389 -23.806 20.424 1.00 0.00 WAT +ATOM 44866 H2 TIP3 12852 -12.053 -24.573 21.543 1.00 0.00 WAT +ATOM 44867 OH2 TIP3 12853 -10.594 -23.727 17.326 1.00 0.00 WAT +ATOM 44868 H1 TIP3 12853 -11.367 -23.177 17.099 1.00 0.00 WAT +ATOM 44869 H2 TIP3 12853 -10.989 -24.605 17.445 1.00 0.00 WAT +ATOM 44870 OH2 TIP3 12854 -21.306 -22.385 14.478 1.00 0.00 WAT +ATOM 44871 H1 TIP3 12854 -20.749 -22.628 13.716 1.00 0.00 WAT +ATOM 44872 H2 TIP3 12854 -20.663 -21.895 15.017 1.00 0.00 WAT +ATOM 44873 OH2 TIP3 12855 -16.188 -22.237 16.924 1.00 0.00 WAT +ATOM 44874 H1 TIP3 12855 -15.783 -22.686 17.686 1.00 0.00 WAT +ATOM 44875 H2 TIP3 12855 -15.953 -21.322 17.147 1.00 0.00 WAT +ATOM 44876 OH2 TIP3 12856 -14.181 -7.229 15.375 1.00 0.00 WAT +ATOM 44877 H1 TIP3 12856 -13.784 -6.356 15.415 1.00 0.00 WAT +ATOM 44878 H2 TIP3 12856 -14.652 -7.218 14.540 1.00 0.00 WAT +ATOM 44879 OH2 TIP3 12857 -21.965 -23.325 29.567 1.00 0.00 WAT +ATOM 44880 H1 TIP3 12857 -22.359 -24.142 29.922 1.00 0.00 WAT +ATOM 44881 H2 TIP3 12857 -21.038 -23.446 29.830 1.00 0.00 WAT +ATOM 44882 OH2 TIP3 12858 -19.584 -23.933 31.294 1.00 0.00 WAT +ATOM 44883 H1 TIP3 12858 -18.762 -24.283 30.894 1.00 0.00 WAT +ATOM 44884 H2 TIP3 12858 -19.917 -24.729 31.742 1.00 0.00 WAT +ATOM 44885 OH2 TIP3 12859 -11.453 -24.832 31.466 1.00 0.00 WAT +ATOM 44886 H1 TIP3 12859 -11.418 -25.241 32.352 1.00 0.00 WAT +ATOM 44887 H2 TIP3 12859 -10.514 -24.861 31.203 1.00 0.00 WAT +ATOM 44888 OH2 TIP3 12860 -8.152 -8.494 30.220 1.00 0.00 WAT +ATOM 44889 H1 TIP3 12860 -8.819 -8.691 29.535 1.00 0.00 WAT +ATOM 44890 H2 TIP3 12860 -8.292 -7.537 30.335 1.00 0.00 WAT +ATOM 44891 OH2 TIP3 12861 6.152 -14.794 20.252 1.00 0.00 WAT +ATOM 44892 H1 TIP3 12861 6.138 -13.831 20.377 1.00 0.00 WAT +ATOM 44893 H2 TIP3 12861 5.441 -14.910 19.612 1.00 0.00 WAT +ATOM 44894 OH2 TIP3 12862 5.000 -15.376 23.355 1.00 0.00 WAT +ATOM 44895 H1 TIP3 12862 4.939 -15.931 24.148 1.00 0.00 WAT +ATOM 44896 H2 TIP3 12862 4.679 -15.977 22.667 1.00 0.00 WAT +ATOM 44897 OH2 TIP3 12863 -2.640 -15.697 25.119 1.00 0.00 WAT +ATOM 44898 H1 TIP3 12863 -2.591 -16.523 25.633 1.00 0.00 WAT +ATOM 44899 H2 TIP3 12863 -1.802 -15.274 25.351 1.00 0.00 WAT +ATOM 44900 OH2 TIP3 12864 8.652 -12.670 21.662 1.00 0.00 WAT +ATOM 44901 H1 TIP3 12864 8.257 -13.334 22.242 1.00 0.00 WAT +ATOM 44902 H2 TIP3 12864 8.888 -11.980 22.294 1.00 0.00 WAT +ATOM 44903 OH2 TIP3 12865 -1.922 -11.238 23.603 1.00 0.00 WAT +ATOM 44904 H1 TIP3 12865 -2.144 -12.148 23.307 1.00 0.00 WAT +ATOM 44905 H2 TIP3 12865 -0.962 -11.333 23.693 1.00 0.00 WAT +ATOM 44906 OH2 TIP3 12866 -5.214 -17.550 18.914 1.00 0.00 WAT +ATOM 44907 H1 TIP3 12866 -5.762 -16.760 19.039 1.00 0.00 WAT +ATOM 44908 H2 TIP3 12866 -5.771 -18.038 18.294 1.00 0.00 WAT +ATOM 44909 OH2 TIP3 12867 -4.158 -15.141 20.979 1.00 0.00 WAT +ATOM 44910 H1 TIP3 12867 -4.404 -16.061 21.142 1.00 0.00 WAT +ATOM 44911 H2 TIP3 12867 -3.466 -15.241 20.325 1.00 0.00 WAT +ATOM 44912 OH2 TIP3 12868 5.830 -6.975 22.482 1.00 0.00 WAT +ATOM 44913 H1 TIP3 12868 6.153 -7.503 21.743 1.00 0.00 WAT +ATOM 44914 H2 TIP3 12868 5.508 -7.642 23.089 1.00 0.00 WAT +ATOM 44915 OH2 TIP3 12869 3.423 -12.850 23.976 1.00 0.00 WAT +ATOM 44916 H1 TIP3 12869 3.724 -13.524 23.344 1.00 0.00 WAT +ATOM 44917 H2 TIP3 12869 4.259 -12.698 24.454 1.00 0.00 WAT +ATOM 44918 OH2 TIP3 12870 12.137 -21.365 24.586 1.00 0.00 WAT +ATOM 44919 H1 TIP3 12870 12.357 -20.723 25.281 1.00 0.00 WAT +ATOM 44920 H2 TIP3 12870 12.718 -21.058 23.865 1.00 0.00 WAT +ATOM 44921 OH2 TIP3 12871 6.777 -18.525 24.460 1.00 0.00 WAT +ATOM 44922 H1 TIP3 12871 6.867 -19.491 24.502 1.00 0.00 WAT +ATOM 44923 H2 TIP3 12871 6.683 -18.384 23.504 1.00 0.00 WAT +ATOM 44924 OH2 TIP3 12872 7.576 -20.371 19.807 1.00 0.00 WAT +ATOM 44925 H1 TIP3 12872 8.151 -20.781 20.489 1.00 0.00 WAT +ATOM 44926 H2 TIP3 12872 8.233 -19.883 19.288 1.00 0.00 WAT +ATOM 44927 OH2 TIP3 12873 -3.201 -17.781 22.244 1.00 0.00 WAT +ATOM 44928 H1 TIP3 12873 -2.820 -18.552 22.708 1.00 0.00 WAT +ATOM 44929 H2 TIP3 12873 -3.306 -18.165 21.365 1.00 0.00 WAT +ATOM 44930 OH2 TIP3 12874 1.771 -16.372 21.476 1.00 0.00 WAT +ATOM 44931 H1 TIP3 12874 2.466 -16.930 21.875 1.00 0.00 WAT +ATOM 44932 H2 TIP3 12874 1.242 -17.039 20.994 1.00 0.00 WAT +ATOM 44933 OH2 TIP3 12875 12.863 -19.954 27.068 1.00 0.00 WAT +ATOM 44934 H1 TIP3 12875 12.265 -19.247 26.763 1.00 0.00 WAT +ATOM 44935 H2 TIP3 12875 12.609 -20.007 27.999 1.00 0.00 WAT +ATOM 44936 OH2 TIP3 12876 -1.386 -21.505 25.676 1.00 0.00 WAT +ATOM 44937 H1 TIP3 12876 -1.852 -21.269 24.837 1.00 0.00 WAT +ATOM 44938 H2 TIP3 12876 -2.109 -21.346 26.306 1.00 0.00 WAT +ATOM 44939 OH2 TIP3 12877 5.932 -11.928 19.066 1.00 0.00 WAT +ATOM 44940 H1 TIP3 12877 5.742 -12.143 18.135 1.00 0.00 WAT +ATOM 44941 H2 TIP3 12877 5.576 -11.037 19.146 1.00 0.00 WAT +ATOM 44942 OH2 TIP3 12878 1.490 -13.833 25.841 1.00 0.00 WAT +ATOM 44943 H1 TIP3 12878 0.737 -13.246 26.061 1.00 0.00 WAT +ATOM 44944 H2 TIP3 12878 2.081 -13.239 25.339 1.00 0.00 WAT +ATOM 44945 OH2 TIP3 12879 9.414 -21.118 21.875 1.00 0.00 WAT +ATOM 44946 H1 TIP3 12879 8.975 -21.681 22.526 1.00 0.00 WAT +ATOM 44947 H2 TIP3 12879 9.904 -20.499 22.444 1.00 0.00 WAT +ATOM 44948 OH2 TIP3 12880 -0.535 -11.958 26.577 1.00 0.00 WAT +ATOM 44949 H1 TIP3 12880 -0.606 -11.064 26.200 1.00 0.00 WAT +ATOM 44950 H2 TIP3 12880 -1.423 -12.057 26.961 1.00 0.00 WAT +ATOM 44951 OH2 TIP3 12881 9.215 -10.789 24.224 1.00 0.00 WAT +ATOM 44952 H1 TIP3 12881 8.244 -10.696 24.202 1.00 0.00 WAT +ATOM 44953 H2 TIP3 12881 9.479 -9.952 23.804 1.00 0.00 WAT +ATOM 44954 OH2 TIP3 12882 9.531 -21.942 25.722 1.00 0.00 WAT +ATOM 44955 H1 TIP3 12882 8.753 -21.560 25.273 1.00 0.00 WAT +ATOM 44956 H2 TIP3 12882 10.244 -21.765 25.080 1.00 0.00 WAT +ATOM 44957 OH2 TIP3 12883 2.575 -24.186 22.899 1.00 0.00 WAT +ATOM 44958 H1 TIP3 12883 2.385 -25.129 22.740 1.00 0.00 WAT +ATOM 44959 H2 TIP3 12883 1.686 -23.855 23.133 1.00 0.00 WAT +ATOM 44960 OH2 TIP3 12884 7.796 -8.894 20.815 1.00 0.00 WAT +ATOM 44961 H1 TIP3 12884 8.030 -9.611 20.206 1.00 0.00 WAT +ATOM 44962 H2 TIP3 12884 7.613 -8.156 20.226 1.00 0.00 WAT +ATOM 44963 OH2 TIP3 12885 9.000 -11.143 19.130 1.00 0.00 WAT +ATOM 44964 H1 TIP3 12885 8.311 -11.561 18.597 1.00 0.00 WAT +ATOM 44965 H2 TIP3 12885 8.926 -11.639 19.966 1.00 0.00 WAT +ATOM 44966 OH2 TIP3 12886 10.528 -12.192 27.861 1.00 0.00 WAT +ATOM 44967 H1 TIP3 12886 10.385 -12.833 27.141 1.00 0.00 WAT +ATOM 44968 H2 TIP3 12886 10.605 -11.352 27.367 1.00 0.00 WAT +ATOM 44969 OH2 TIP3 12887 5.027 -15.308 17.240 1.00 0.00 WAT +ATOM 44970 H1 TIP3 12887 4.316 -14.694 16.977 1.00 0.00 WAT +ATOM 44971 H2 TIP3 12887 5.700 -15.063 16.594 1.00 0.00 WAT +ATOM 44972 OH2 TIP3 12888 12.277 -16.001 25.783 1.00 0.00 WAT +ATOM 44973 H1 TIP3 12888 11.537 -15.367 25.872 1.00 0.00 WAT +ATOM 44974 H2 TIP3 12888 12.735 -15.639 25.000 1.00 0.00 WAT +ATOM 44975 OH2 TIP3 12889 8.194 -15.414 18.324 1.00 0.00 WAT +ATOM 44976 H1 TIP3 12889 7.571 -15.076 18.995 1.00 0.00 WAT +ATOM 44977 H2 TIP3 12889 8.891 -15.802 18.875 1.00 0.00 WAT +ATOM 44978 OH2 TIP3 12890 8.118 -16.751 27.476 1.00 0.00 WAT +ATOM 44979 H1 TIP3 12890 8.155 -15.920 27.980 1.00 0.00 WAT +ATOM 44980 H2 TIP3 12890 7.460 -16.484 26.807 1.00 0.00 WAT +ATOM 44981 OH2 TIP3 12891 -0.071 -14.528 20.167 1.00 0.00 WAT +ATOM 44982 H1 TIP3 12891 -0.353 -15.156 19.491 1.00 0.00 WAT +ATOM 44983 H2 TIP3 12891 0.492 -15.100 20.723 1.00 0.00 WAT +ATOM 44984 OH2 TIP3 12892 1.205 -11.170 22.974 1.00 0.00 WAT +ATOM 44985 H1 TIP3 12892 1.295 -11.621 22.114 1.00 0.00 WAT +ATOM 44986 H2 TIP3 12892 1.986 -11.534 23.427 1.00 0.00 WAT +ATOM 44987 OH2 TIP3 12893 0.434 -15.725 23.920 1.00 0.00 WAT +ATOM 44988 H1 TIP3 12893 1.012 -15.704 23.137 1.00 0.00 WAT +ATOM 44989 H2 TIP3 12893 0.859 -15.089 24.522 1.00 0.00 WAT +ATOM 44990 OH2 TIP3 12894 6.365 -10.197 24.499 1.00 0.00 WAT +ATOM 44991 H1 TIP3 12894 6.413 -9.527 25.199 1.00 0.00 WAT +ATOM 44992 H2 TIP3 12894 6.171 -11.021 24.978 1.00 0.00 WAT +ATOM 44993 OH2 TIP3 12895 1.294 -11.399 28.744 1.00 0.00 WAT +ATOM 44994 H1 TIP3 12895 0.771 -10.715 29.195 1.00 0.00 WAT +ATOM 44995 H2 TIP3 12895 0.679 -11.673 28.034 1.00 0.00 WAT +ATOM 44996 OH2 TIP3 12896 -1.715 -14.971 27.882 1.00 0.00 WAT +ATOM 44997 H1 TIP3 12896 -1.743 -14.426 28.686 1.00 0.00 WAT +ATOM 44998 H2 TIP3 12896 -2.655 -15.122 27.700 1.00 0.00 WAT +ATOM 44999 OH2 TIP3 12897 -0.619 -9.160 29.561 1.00 0.00 WAT +ATOM 45000 H1 TIP3 12897 -0.686 -9.142 28.589 1.00 0.00 WAT +ATOM 45001 H2 TIP3 12897 -1.488 -9.502 29.840 1.00 0.00 WAT +ATOM 45002 OH2 TIP3 12898 10.670 -24.113 15.614 1.00 0.00 WAT +ATOM 45003 H1 TIP3 12898 9.804 -23.987 16.046 1.00 0.00 WAT +ATOM 45004 H2 TIP3 12898 11.032 -23.211 15.615 1.00 0.00 WAT +ATOM 45005 OH2 TIP3 12899 -1.205 -15.553 17.341 1.00 0.00 WAT +ATOM 45006 H1 TIP3 12899 -1.590 -14.810 17.800 1.00 0.00 WAT +ATOM 45007 H2 TIP3 12899 -1.744 -16.307 17.620 1.00 0.00 WAT +ATOM 45008 OH2 TIP3 12900 -5.173 -13.093 26.677 1.00 0.00 WAT +ATOM 45009 H1 TIP3 12900 -5.568 -13.082 25.781 1.00 0.00 WAT +ATOM 45010 H2 TIP3 12900 -5.012 -14.047 26.803 1.00 0.00 WAT +ATOM 45011 OH2 TIP3 12901 -5.098 -10.085 23.574 1.00 0.00 WAT +ATOM 45012 H1 TIP3 12901 -4.193 -10.426 23.530 1.00 0.00 WAT +ATOM 45013 H2 TIP3 12901 -5.074 -9.549 24.374 1.00 0.00 WAT +ATOM 45014 OH2 TIP3 12902 13.288 -9.566 29.379 1.00 0.00 WAT +ATOM 45015 H1 TIP3 12902 13.172 -10.514 29.186 1.00 0.00 WAT +ATOM 45016 H2 TIP3 12902 12.377 -9.326 29.658 1.00 0.00 WAT +ATOM 45017 OH2 TIP3 12903 3.945 -10.355 28.187 1.00 0.00 WAT +ATOM 45018 H1 TIP3 12903 4.003 -9.513 28.680 1.00 0.00 WAT +ATOM 45019 H2 TIP3 12903 3.033 -10.642 28.389 1.00 0.00 WAT +ATOM 45020 OH2 TIP3 12904 10.087 -18.198 29.778 1.00 0.00 WAT +ATOM 45021 H1 TIP3 12904 9.545 -17.804 29.079 1.00 0.00 WAT +ATOM 45022 H2 TIP3 12904 10.115 -19.133 29.499 1.00 0.00 WAT +ATOM 45023 OH2 TIP3 12905 -3.029 -11.504 27.984 1.00 0.00 WAT +ATOM 45024 H1 TIP3 12905 -2.681 -12.053 28.715 1.00 0.00 WAT +ATOM 45025 H2 TIP3 12905 -3.693 -12.082 27.566 1.00 0.00 WAT +ATOM 45026 OH2 TIP3 12906 -0.162 -23.241 23.514 1.00 0.00 WAT +ATOM 45027 H1 TIP3 12906 -0.981 -23.159 22.994 1.00 0.00 WAT +ATOM 45028 H2 TIP3 12906 -0.240 -22.426 24.037 1.00 0.00 WAT +ATOM 45029 OH2 TIP3 12907 4.611 -23.503 27.321 1.00 0.00 WAT +ATOM 45030 H1 TIP3 12907 5.129 -24.036 27.954 1.00 0.00 WAT +ATOM 45031 H2 TIP3 12907 3.700 -23.828 27.448 1.00 0.00 WAT +ATOM 45032 OH2 TIP3 12908 7.788 -19.706 27.864 1.00 0.00 WAT +ATOM 45033 H1 TIP3 12908 7.149 -19.870 28.583 1.00 0.00 WAT +ATOM 45034 H2 TIP3 12908 7.687 -18.755 27.688 1.00 0.00 WAT +ATOM 45035 OH2 TIP3 12909 0.078 -18.526 25.039 1.00 0.00 WAT +ATOM 45036 H1 TIP3 12909 -0.753 -18.564 25.532 1.00 0.00 WAT +ATOM 45037 H2 TIP3 12909 -0.081 -17.775 24.443 1.00 0.00 WAT +ATOM 45038 OH2 TIP3 12910 0.043 -18.052 19.862 1.00 0.00 WAT +ATOM 45039 H1 TIP3 12910 -0.867 -18.396 19.976 1.00 0.00 WAT +ATOM 45040 H2 TIP3 12910 0.345 -18.647 19.162 1.00 0.00 WAT +ATOM 45041 OH2 TIP3 12911 5.615 -17.673 18.715 1.00 0.00 WAT +ATOM 45042 H1 TIP3 12911 5.255 -16.825 18.385 1.00 0.00 WAT +ATOM 45043 H2 TIP3 12911 6.373 -17.762 18.117 1.00 0.00 WAT +ATOM 45044 OH2 TIP3 12912 4.831 -17.445 30.115 1.00 0.00 WAT +ATOM 45045 H1 TIP3 12912 4.326 -18.212 30.454 1.00 0.00 WAT +ATOM 45046 H2 TIP3 12912 5.709 -17.591 30.514 1.00 0.00 WAT +ATOM 45047 OH2 TIP3 12913 6.537 -18.269 21.553 1.00 0.00 WAT +ATOM 45048 H1 TIP3 12913 6.225 -17.668 20.851 1.00 0.00 WAT +ATOM 45049 H2 TIP3 12913 6.715 -19.070 21.023 1.00 0.00 WAT +ATOM 45050 OH2 TIP3 12914 -2.707 -18.066 27.011 1.00 0.00 WAT +ATOM 45051 H1 TIP3 12914 -2.198 -17.878 27.807 1.00 0.00 WAT +ATOM 45052 H2 TIP3 12914 -2.943 -19.001 27.138 1.00 0.00 WAT +ATOM 45053 OH2 TIP3 12915 -5.545 -20.829 20.861 1.00 0.00 WAT +ATOM 45054 H1 TIP3 12915 -4.746 -20.773 21.420 1.00 0.00 WAT +ATOM 45055 H2 TIP3 12915 -5.177 -21.023 19.987 1.00 0.00 WAT +ATOM 45056 OH2 TIP3 12916 -4.206 -20.183 16.195 1.00 0.00 WAT +ATOM 45057 H1 TIP3 12916 -3.617 -19.704 15.577 1.00 0.00 WAT +ATOM 45058 H2 TIP3 12916 -4.874 -19.496 16.371 1.00 0.00 WAT +ATOM 45059 OH2 TIP3 12917 5.624 -16.580 25.998 1.00 0.00 WAT +ATOM 45060 H1 TIP3 12917 6.047 -17.302 25.480 1.00 0.00 WAT +ATOM 45061 H2 TIP3 12917 5.247 -17.068 26.742 1.00 0.00 WAT +ATOM 45062 OH2 TIP3 12918 2.493 -20.670 21.042 1.00 0.00 WAT +ATOM 45063 H1 TIP3 12918 1.545 -20.590 21.232 1.00 0.00 WAT +ATOM 45064 H2 TIP3 12918 2.869 -20.760 21.929 1.00 0.00 WAT +ATOM 45065 OH2 TIP3 12919 -2.619 -19.156 19.430 1.00 0.00 WAT +ATOM 45066 H1 TIP3 12919 -3.552 -19.105 19.168 1.00 0.00 WAT +ATOM 45067 H2 TIP3 12919 -2.385 -20.084 19.243 1.00 0.00 WAT +ATOM 45068 OH2 TIP3 12920 1.228 -19.170 17.172 1.00 0.00 WAT +ATOM 45069 H1 TIP3 12920 2.086 -18.910 17.540 1.00 0.00 WAT +ATOM 45070 H2 TIP3 12920 0.831 -18.343 16.875 1.00 0.00 WAT +ATOM 45071 OH2 TIP3 12921 7.191 -21.515 24.001 1.00 0.00 WAT +ATOM 45072 H1 TIP3 12921 6.548 -21.492 24.744 1.00 0.00 WAT +ATOM 45073 H2 TIP3 12921 6.601 -21.826 23.291 1.00 0.00 WAT +ATOM 45074 OH2 TIP3 12922 -0.824 -18.400 15.101 1.00 0.00 WAT +ATOM 45075 H1 TIP3 12922 -1.228 -18.273 14.232 1.00 0.00 WAT +ATOM 45076 H2 TIP3 12922 -0.257 -17.635 15.174 1.00 0.00 WAT +ATOM 45077 OH2 TIP3 12923 10.195 -5.710 30.681 1.00 0.00 WAT +ATOM 45078 H1 TIP3 12923 10.413 -5.263 29.846 1.00 0.00 WAT +ATOM 45079 H2 TIP3 12923 10.904 -5.399 31.268 1.00 0.00 WAT +ATOM 45080 OH2 TIP3 12924 -1.905 -13.063 30.116 1.00 0.00 WAT +ATOM 45081 H1 TIP3 12924 -1.214 -13.007 30.809 1.00 0.00 WAT +ATOM 45082 H2 TIP3 12924 -2.701 -13.114 30.676 1.00 0.00 WAT +ATOM 45083 OH2 TIP3 12925 3.820 -18.092 22.767 1.00 0.00 WAT +ATOM 45084 H1 TIP3 12925 4.579 -18.562 22.391 1.00 0.00 WAT +ATOM 45085 H2 TIP3 12925 3.596 -18.646 23.543 1.00 0.00 WAT +ATOM 45086 OH2 TIP3 12926 -0.839 -21.571 19.038 1.00 0.00 WAT +ATOM 45087 H1 TIP3 12926 -1.429 -22.273 19.375 1.00 0.00 WAT +ATOM 45088 H2 TIP3 12926 -0.207 -22.064 18.509 1.00 0.00 WAT +ATOM 45089 OH2 TIP3 12927 2.712 -19.468 25.077 1.00 0.00 WAT +ATOM 45090 H1 TIP3 12927 1.829 -19.038 25.089 1.00 0.00 WAT +ATOM 45091 H2 TIP3 12927 3.102 -19.187 25.929 1.00 0.00 WAT +ATOM 45092 OH2 TIP3 12928 2.863 -13.326 17.358 1.00 0.00 WAT +ATOM 45093 H1 TIP3 12928 2.237 -13.765 16.765 1.00 0.00 WAT +ATOM 45094 H2 TIP3 12928 2.572 -13.547 18.243 1.00 0.00 WAT +ATOM 45095 OH2 TIP3 12929 10.164 -14.090 25.702 1.00 0.00 WAT +ATOM 45096 H1 TIP3 12929 10.648 -13.531 25.057 1.00 0.00 WAT +ATOM 45097 H2 TIP3 12929 9.305 -14.205 25.247 1.00 0.00 WAT +ATOM 45098 OH2 TIP3 12930 6.581 -20.211 15.013 1.00 0.00 WAT +ATOM 45099 H1 TIP3 12930 5.810 -19.704 14.758 1.00 0.00 WAT +ATOM 45100 H2 TIP3 12930 7.185 -19.495 15.306 1.00 0.00 WAT +ATOM 45101 OH2 TIP3 12931 4.611 -13.222 28.300 1.00 0.00 WAT +ATOM 45102 H1 TIP3 12931 4.275 -13.548 29.145 1.00 0.00 WAT +ATOM 45103 H2 TIP3 12931 4.278 -12.311 28.275 1.00 0.00 WAT +ATOM 45104 OH2 TIP3 12932 7.804 -18.274 16.489 1.00 0.00 WAT +ATOM 45105 H1 TIP3 12932 8.585 -18.488 17.028 1.00 0.00 WAT +ATOM 45106 H2 TIP3 12932 8.048 -17.418 16.114 1.00 0.00 WAT +ATOM 45107 OH2 TIP3 12933 -1.857 -13.875 22.779 1.00 0.00 WAT +ATOM 45108 H1 TIP3 12933 -1.379 -14.034 21.955 1.00 0.00 WAT +ATOM 45109 H2 TIP3 12933 -1.923 -14.772 23.145 1.00 0.00 WAT +ATOM 45110 OH2 TIP3 12934 5.802 -12.156 16.083 1.00 0.00 WAT +ATOM 45111 H1 TIP3 12934 5.885 -12.655 15.249 1.00 0.00 WAT +ATOM 45112 H2 TIP3 12934 5.411 -11.330 15.776 1.00 0.00 WAT +ATOM 45113 OH2 TIP3 12935 -4.790 -15.528 28.127 1.00 0.00 WAT +ATOM 45114 H1 TIP3 12935 -4.498 -16.057 28.894 1.00 0.00 WAT +ATOM 45115 H2 TIP3 12935 -5.217 -16.184 27.551 1.00 0.00 WAT +ATOM 45116 OH2 TIP3 12936 2.273 -16.092 29.985 1.00 0.00 WAT +ATOM 45117 H1 TIP3 12936 1.978 -16.305 29.080 1.00 0.00 WAT +ATOM 45118 H2 TIP3 12936 3.205 -16.367 29.931 1.00 0.00 WAT +ATOM 45119 OH2 TIP3 12937 6.857 -10.641 27.760 1.00 0.00 WAT +ATOM 45120 H1 TIP3 12937 5.891 -10.570 27.673 1.00 0.00 WAT +ATOM 45121 H2 TIP3 12937 6.993 -10.385 28.685 1.00 0.00 WAT +ATOM 45122 OH2 TIP3 12938 12.355 -18.375 16.495 1.00 0.00 WAT +ATOM 45123 H1 TIP3 12938 11.835 -18.571 15.689 1.00 0.00 WAT +ATOM 45124 H2 TIP3 12938 12.574 -17.450 16.314 1.00 0.00 WAT +ATOM 45125 OH2 TIP3 12939 12.832 -12.540 29.324 1.00 0.00 WAT +ATOM 45126 H1 TIP3 12939 11.892 -12.330 29.132 1.00 0.00 WAT +ATOM 45127 H2 TIP3 12939 13.158 -12.728 28.422 1.00 0.00 WAT +ATOM 45128 OH2 TIP3 12940 11.212 -9.469 17.757 1.00 0.00 WAT +ATOM 45129 H1 TIP3 12940 10.542 -10.159 17.871 1.00 0.00 WAT +ATOM 45130 H2 TIP3 12940 11.174 -9.261 16.816 1.00 0.00 WAT +ATOM 45131 OH2 TIP3 12941 7.815 -14.660 24.017 1.00 0.00 WAT +ATOM 45132 H1 TIP3 12941 6.883 -14.805 23.762 1.00 0.00 WAT +ATOM 45133 H2 TIP3 12941 8.255 -15.363 23.501 1.00 0.00 WAT +ATOM 45134 OH2 TIP3 12942 -3.793 -14.976 14.689 1.00 0.00 WAT +ATOM 45135 H1 TIP3 12942 -3.273 -15.547 15.252 1.00 0.00 WAT +ATOM 45136 H2 TIP3 12942 -4.713 -15.203 14.981 1.00 0.00 WAT +ATOM 45137 OH2 TIP3 12943 1.897 -12.374 20.401 1.00 0.00 WAT +ATOM 45138 H1 TIP3 12943 1.822 -11.754 19.669 1.00 0.00 WAT +ATOM 45139 H2 TIP3 12943 1.298 -13.101 20.165 1.00 0.00 WAT +ATOM 45140 OH2 TIP3 12944 2.441 -8.610 26.020 1.00 0.00 WAT +ATOM 45141 H1 TIP3 12944 2.979 -7.864 25.691 1.00 0.00 WAT +ATOM 45142 H2 TIP3 12944 3.096 -9.094 26.546 1.00 0.00 WAT +ATOM 45143 OH2 TIP3 12945 5.875 -12.861 25.596 1.00 0.00 WAT +ATOM 45144 H1 TIP3 12945 5.569 -13.159 26.472 1.00 0.00 WAT +ATOM 45145 H2 TIP3 12945 6.585 -13.495 25.402 1.00 0.00 WAT +ATOM 45146 OH2 TIP3 12946 8.800 -8.288 27.980 1.00 0.00 WAT +ATOM 45147 H1 TIP3 12946 8.043 -8.749 27.568 1.00 0.00 WAT +ATOM 45148 H2 TIP3 12946 8.889 -7.498 27.415 1.00 0.00 WAT +ATOM 45149 OH2 TIP3 12947 -3.394 -20.873 27.758 1.00 0.00 WAT +ATOM 45150 H1 TIP3 12947 -4.264 -20.655 27.370 1.00 0.00 WAT +ATOM 45151 H2 TIP3 12947 -3.517 -21.808 27.994 1.00 0.00 WAT +ATOM 45152 OH2 TIP3 12948 9.403 -12.960 16.520 1.00 0.00 WAT +ATOM 45153 H1 TIP3 12948 8.848 -13.574 17.018 1.00 0.00 WAT +ATOM 45154 H2 TIP3 12948 10.145 -12.814 17.111 1.00 0.00 WAT +ATOM 45155 OH2 TIP3 12949 -3.652 -9.106 26.053 1.00 0.00 WAT +ATOM 45156 H1 TIP3 12949 -3.319 -10.015 26.061 1.00 0.00 WAT +ATOM 45157 H2 TIP3 12949 -3.285 -8.782 26.884 1.00 0.00 WAT +ATOM 45158 OH2 TIP3 12950 5.620 -21.089 26.188 1.00 0.00 WAT +ATOM 45159 H1 TIP3 12950 6.208 -20.816 26.905 1.00 0.00 WAT +ATOM 45160 H2 TIP3 12950 5.097 -21.805 26.598 1.00 0.00 WAT +ATOM 45161 OH2 TIP3 12951 6.346 -21.683 17.332 1.00 0.00 WAT +ATOM 45162 H1 TIP3 12951 6.511 -21.039 16.610 1.00 0.00 WAT +ATOM 45163 H2 TIP3 12951 6.668 -21.194 18.108 1.00 0.00 WAT +ATOM 45164 OH2 TIP3 12952 3.712 -19.723 18.514 1.00 0.00 WAT +ATOM 45165 H1 TIP3 12952 4.411 -19.052 18.664 1.00 0.00 WAT +ATOM 45166 H2 TIP3 12952 3.305 -19.811 19.395 1.00 0.00 WAT +ATOM 45167 OH2 TIP3 12953 4.001 -18.728 27.577 1.00 0.00 WAT +ATOM 45168 H1 TIP3 12953 4.081 -18.213 28.397 1.00 0.00 WAT +ATOM 45169 H2 TIP3 12953 4.543 -19.503 27.771 1.00 0.00 WAT +ATOM 45170 OH2 TIP3 12954 4.273 -22.627 19.407 1.00 0.00 WAT +ATOM 45171 H1 TIP3 12954 3.986 -21.925 20.018 1.00 0.00 WAT +ATOM 45172 H2 TIP3 12954 4.915 -22.145 18.859 1.00 0.00 WAT +ATOM 45173 OH2 TIP3 12955 -0.012 -21.608 15.899 1.00 0.00 WAT +ATOM 45174 H1 TIP3 12955 -0.030 -20.722 16.302 1.00 0.00 WAT +ATOM 45175 H2 TIP3 12955 0.869 -21.917 16.128 1.00 0.00 WAT +ATOM 45176 OH2 TIP3 12956 10.314 -20.729 28.455 1.00 0.00 WAT +ATOM 45177 H1 TIP3 12956 9.353 -20.591 28.325 1.00 0.00 WAT +ATOM 45178 H2 TIP3 12956 10.546 -20.954 27.542 1.00 0.00 WAT +ATOM 45179 OH2 TIP3 12957 8.861 -16.877 22.462 1.00 0.00 WAT +ATOM 45180 H1 TIP3 12957 8.028 -17.305 22.189 1.00 0.00 WAT +ATOM 45181 H2 TIP3 12957 9.322 -17.608 22.925 1.00 0.00 WAT +ATOM 45182 OH2 TIP3 12958 -3.683 -18.498 13.946 1.00 0.00 WAT +ATOM 45183 H1 TIP3 12958 -3.426 -17.572 13.974 1.00 0.00 WAT +ATOM 45184 H2 TIP3 12958 -4.591 -18.442 13.626 1.00 0.00 WAT +ATOM 45185 OH2 TIP3 12959 9.845 -7.954 23.964 1.00 0.00 WAT +ATOM 45186 H1 TIP3 12959 9.571 -7.248 23.347 1.00 0.00 WAT +ATOM 45187 H2 TIP3 12959 10.794 -7.767 24.054 1.00 0.00 WAT +ATOM 45188 OH2 TIP3 12960 -4.281 -7.125 30.314 1.00 0.00 WAT +ATOM 45189 H1 TIP3 12960 -3.654 -7.448 30.990 1.00 0.00 WAT +ATOM 45190 H2 TIP3 12960 -4.630 -7.971 29.964 1.00 0.00 WAT +ATOM 45191 OH2 TIP3 12961 0.375 -8.079 32.079 1.00 0.00 WAT +ATOM 45192 H1 TIP3 12961 1.111 -8.681 32.278 1.00 0.00 WAT +ATOM 45193 H2 TIP3 12961 0.195 -8.323 31.154 1.00 0.00 WAT +ATOM 45194 OH2 TIP3 12962 6.888 -9.772 30.670 1.00 0.00 WAT +ATOM 45195 H1 TIP3 12962 6.517 -10.605 31.010 1.00 0.00 WAT +ATOM 45196 H2 TIP3 12962 7.599 -9.582 31.306 1.00 0.00 WAT +ATOM 45197 OH2 TIP3 12963 -4.333 -13.489 31.426 1.00 0.00 WAT +ATOM 45198 H1 TIP3 12963 -4.196 -14.392 31.089 1.00 0.00 WAT +ATOM 45199 H2 TIP3 12963 -5.063 -13.195 30.846 1.00 0.00 WAT +ATOM 45200 OH2 TIP3 12964 2.295 -13.319 30.747 1.00 0.00 WAT +ATOM 45201 H1 TIP3 12964 2.021 -12.979 29.878 1.00 0.00 WAT +ATOM 45202 H2 TIP3 12964 2.380 -14.280 30.581 1.00 0.00 WAT +ATOM 45203 OH2 TIP3 12965 7.701 -13.687 28.152 1.00 0.00 WAT +ATOM 45204 H1 TIP3 12965 8.466 -13.139 27.924 1.00 0.00 WAT +ATOM 45205 H2 TIP3 12965 6.984 -13.033 28.111 1.00 0.00 WAT +ATOM 45206 OH2 TIP3 12966 -3.443 -16.350 30.579 1.00 0.00 WAT +ATOM 45207 H1 TIP3 12966 -2.699 -16.976 30.543 1.00 0.00 WAT +ATOM 45208 H2 TIP3 12966 -3.488 -16.179 31.533 1.00 0.00 WAT +ATOM 45209 OH2 TIP3 12967 0.237 -17.286 27.914 1.00 0.00 WAT +ATOM 45210 H1 TIP3 12967 -0.286 -16.491 28.110 1.00 0.00 WAT +ATOM 45211 H2 TIP3 12967 0.850 -16.945 27.237 1.00 0.00 WAT +ATOM 45212 OH2 TIP3 12968 5.527 -14.514 31.587 1.00 0.00 WAT +ATOM 45213 H1 TIP3 12968 6.413 -14.710 31.251 1.00 0.00 WAT +ATOM 45214 H2 TIP3 12968 5.266 -15.370 31.955 1.00 0.00 WAT +ATOM 45215 OH2 TIP3 12969 0.815 -19.914 29.141 1.00 0.00 WAT +ATOM 45216 H1 TIP3 12969 0.885 -20.595 28.448 1.00 0.00 WAT +ATOM 45217 H2 TIP3 12969 0.608 -19.125 28.605 1.00 0.00 WAT +ATOM 45218 OH2 TIP3 12970 1.236 -21.492 26.603 1.00 0.00 WAT +ATOM 45219 H1 TIP3 12970 1.732 -20.916 25.991 1.00 0.00 WAT +ATOM 45220 H2 TIP3 12970 0.318 -21.407 26.258 1.00 0.00 WAT +ATOM 45221 OH2 TIP3 12971 2.723 -15.991 27.033 1.00 0.00 WAT +ATOM 45222 H1 TIP3 12971 3.524 -16.094 26.502 1.00 0.00 WAT +ATOM 45223 H2 TIP3 12971 2.379 -15.138 26.697 1.00 0.00 WAT +ATOM 45224 OH2 TIP3 12972 7.264 -18.089 31.779 1.00 0.00 WAT +ATOM 45225 H1 TIP3 12972 7.483 -19.021 31.932 1.00 0.00 WAT +ATOM 45226 H2 TIP3 12972 8.145 -17.688 31.733 1.00 0.00 WAT +ATOM 45227 OH2 TIP3 12973 8.242 -15.294 30.283 1.00 0.00 WAT +ATOM 45228 H1 TIP3 12973 7.889 -14.685 29.600 1.00 0.00 WAT +ATOM 45229 H2 TIP3 12973 9.130 -15.456 29.907 1.00 0.00 WAT +ATOM 45230 OH2 TIP3 12974 -0.975 -18.083 30.923 1.00 0.00 WAT +ATOM 45231 H1 TIP3 12974 -1.501 -18.903 30.921 1.00 0.00 WAT +ATOM 45232 H2 TIP3 12974 -0.165 -18.378 30.477 1.00 0.00 WAT +ATOM 45233 OH2 TIP3 12975 1.881 -24.161 26.973 1.00 0.00 WAT +ATOM 45234 H1 TIP3 12975 1.716 -23.207 26.798 1.00 0.00 WAT +ATOM 45235 H2 TIP3 12975 1.184 -24.572 26.425 1.00 0.00 WAT +ATOM 45236 OH2 TIP3 12976 3.128 -19.579 30.746 1.00 0.00 WAT +ATOM 45237 H1 TIP3 12976 2.748 -19.784 31.618 1.00 0.00 WAT +ATOM 45238 H2 TIP3 12976 2.340 -19.742 30.184 1.00 0.00 WAT +ATOM 45239 OH2 TIP3 12977 5.672 -20.518 29.599 1.00 0.00 WAT +ATOM 45240 H1 TIP3 12977 4.784 -20.460 30.000 1.00 0.00 WAT +ATOM 45241 H2 TIP3 12977 6.120 -21.145 30.196 1.00 0.00 WAT +ATOM 45242 OH2 TIP3 12978 7.535 -22.039 31.344 1.00 0.00 WAT +ATOM 45243 H1 TIP3 12978 7.352 -22.984 31.506 1.00 0.00 WAT +ATOM 45244 H2 TIP3 12978 7.330 -21.619 32.201 1.00 0.00 WAT +ATOM 45245 OH2 TIP3 12979 -2.259 -20.631 30.802 1.00 0.00 WAT +ATOM 45246 H1 TIP3 12979 -2.400 -21.283 30.096 1.00 0.00 WAT +ATOM 45247 H2 TIP3 12979 -2.559 -21.120 31.589 1.00 0.00 WAT +ATOM 45248 OH2 TIP3 12980 1.694 -24.658 29.773 1.00 0.00 WAT +ATOM 45249 H1 TIP3 12980 2.313 -25.405 29.808 1.00 0.00 WAT +ATOM 45250 H2 TIP3 12980 1.651 -24.502 28.808 1.00 0.00 WAT +ATOM 45251 OH2 TIP3 12981 2.632 -22.798 31.644 1.00 0.00 WAT +ATOM 45252 H1 TIP3 12981 2.349 -23.375 30.906 1.00 0.00 WAT +ATOM 45253 H2 TIP3 12981 1.960 -22.099 31.629 1.00 0.00 WAT +ATOM 45254 OH2 TIP3 12982 -5.114 -7.855 21.216 1.00 0.00 WAT +ATOM 45255 H1 TIP3 12982 -5.250 -8.811 21.198 1.00 0.00 WAT +ATOM 45256 H2 TIP3 12982 -4.591 -7.732 22.008 1.00 0.00 WAT +ATOM 45257 OH2 TIP3 12983 12.572 -6.868 24.374 1.00 0.00 WAT +ATOM 45258 H1 TIP3 12983 12.733 -6.898 25.329 1.00 0.00 WAT +ATOM 45259 H2 TIP3 12983 13.418 -6.544 24.038 1.00 0.00 WAT +ATOM 45260 OH2 TIP3 12984 12.475 -7.423 27.253 1.00 0.00 WAT +ATOM 45261 H1 TIP3 12984 11.933 -8.148 26.889 1.00 0.00 WAT +ATOM 45262 H2 TIP3 12984 13.001 -7.912 27.903 1.00 0.00 WAT +ATOM 45263 OH2 TIP3 12985 10.457 -11.999 31.549 1.00 0.00 WAT +ATOM 45264 H1 TIP3 12985 9.570 -11.921 31.938 1.00 0.00 WAT +ATOM 45265 H2 TIP3 12985 10.902 -11.190 31.855 1.00 0.00 WAT +ATOM 45266 OH2 TIP3 12986 12.384 -15.100 18.942 1.00 0.00 WAT +ATOM 45267 H1 TIP3 12986 11.590 -15.458 19.373 1.00 0.00 WAT +ATOM 45268 H2 TIP3 12986 12.918 -14.775 19.683 1.00 0.00 WAT +ATOM 45269 OH2 TIP3 12987 12.068 -12.633 24.267 1.00 0.00 WAT +ATOM 45270 H1 TIP3 12987 12.647 -13.113 23.655 1.00 0.00 WAT +ATOM 45271 H2 TIP3 12987 12.123 -11.725 23.923 1.00 0.00 WAT +ATOM 45272 OH2 TIP3 12988 10.756 -9.728 26.491 1.00 0.00 WAT +ATOM 45273 H1 TIP3 12988 10.016 -9.306 26.962 1.00 0.00 WAT +ATOM 45274 H2 TIP3 12988 10.313 -10.050 25.679 1.00 0.00 WAT +ATOM 45275 OH2 TIP3 12989 10.919 -18.126 13.985 1.00 0.00 WAT +ATOM 45276 H1 TIP3 12989 11.096 -17.494 13.279 1.00 0.00 WAT +ATOM 45277 H2 TIP3 12989 10.662 -18.926 13.495 1.00 0.00 WAT +ATOM 45278 OH2 TIP3 12990 10.226 -16.860 19.946 1.00 0.00 WAT +ATOM 45279 H1 TIP3 12990 10.148 -17.813 19.790 1.00 0.00 WAT +ATOM 45280 H2 TIP3 12990 9.871 -16.767 20.851 1.00 0.00 WAT +ATOM 45281 OH2 TIP3 12991 -4.926 -14.762 23.750 1.00 0.00 WAT +ATOM 45282 H1 TIP3 12991 -4.710 -14.754 22.793 1.00 0.00 WAT +ATOM 45283 H2 TIP3 12991 -4.053 -15.016 24.120 1.00 0.00 WAT +ATOM 45284 OH2 TIP3 12992 10.849 -15.073 29.205 1.00 0.00 WAT +ATOM 45285 H1 TIP3 12992 11.588 -15.684 29.386 1.00 0.00 WAT +ATOM 45286 H2 TIP3 12992 11.300 -14.239 29.019 1.00 0.00 WAT +ATOM 45287 OH2 TIP3 12993 12.413 -16.967 30.421 1.00 0.00 WAT +ATOM 45288 H1 TIP3 12993 11.613 -17.493 30.200 1.00 0.00 WAT +ATOM 45289 H2 TIP3 12993 13.106 -17.654 30.396 1.00 0.00 WAT +ATOM 45290 OH2 TIP3 12994 10.183 -20.937 13.250 1.00 0.00 WAT +ATOM 45291 H1 TIP3 12994 10.873 -21.279 13.844 1.00 0.00 WAT +ATOM 45292 H2 TIP3 12994 9.396 -21.407 13.540 1.00 0.00 WAT +ATOM 45293 OH2 TIP3 12995 10.018 -19.407 18.190 1.00 0.00 WAT +ATOM 45294 H1 TIP3 12995 10.316 -20.338 18.251 1.00 0.00 WAT +ATOM 45295 H2 TIP3 12995 10.804 -18.992 17.796 1.00 0.00 WAT +ATOM 45296 OH2 TIP3 12996 10.345 -18.921 23.680 1.00 0.00 WAT +ATOM 45297 H1 TIP3 12996 11.313 -18.791 23.657 1.00 0.00 WAT +ATOM 45298 H2 TIP3 12996 10.188 -18.865 24.639 1.00 0.00 WAT +ATOM 45299 OH2 TIP3 12997 10.520 -18.197 26.496 1.00 0.00 WAT +ATOM 45300 H1 TIP3 12997 9.660 -17.828 26.771 1.00 0.00 WAT +ATOM 45301 H2 TIP3 12997 11.026 -17.390 26.290 1.00 0.00 WAT +ATOM 45302 OH2 TIP3 12998 -4.998 -19.428 30.238 1.00 0.00 WAT +ATOM 45303 H1 TIP3 12998 -4.067 -19.687 30.133 1.00 0.00 WAT +ATOM 45304 H2 TIP3 12998 -5.437 -20.297 30.236 1.00 0.00 WAT +ATOM 45305 OH2 TIP3 12999 13.095 -24.040 31.798 1.00 0.00 WAT +ATOM 45306 H1 TIP3 12999 13.478 -24.733 31.229 1.00 0.00 WAT +ATOM 45307 H2 TIP3 12999 13.096 -23.265 31.204 1.00 0.00 WAT +ATOM 45308 OH2 TIP3 13000 10.592 -22.251 18.233 1.00 0.00 WAT +ATOM 45309 H1 TIP3 13000 10.695 -22.573 19.146 1.00 0.00 WAT +ATOM 45310 H2 TIP3 13000 9.807 -22.758 17.940 1.00 0.00 WAT +ATOM 45311 OH2 TIP3 13001 -5.666 -18.392 23.945 1.00 0.00 WAT +ATOM 45312 H1 TIP3 13001 -5.011 -18.641 23.271 1.00 0.00 WAT +ATOM 45313 H2 TIP3 13001 -5.214 -17.637 24.338 1.00 0.00 WAT +ATOM 45314 OH2 TIP3 13002 12.451 -22.001 30.039 1.00 0.00 WAT +ATOM 45315 H1 TIP3 13002 11.577 -21.573 30.102 1.00 0.00 WAT +ATOM 45316 H2 TIP3 13002 12.314 -22.543 29.240 1.00 0.00 WAT +ATOM 45317 OH2 TIP3 13003 12.519 -21.814 14.904 1.00 0.00 WAT +ATOM 45318 H1 TIP3 13003 12.829 -22.561 14.361 1.00 0.00 WAT +ATOM 45319 H2 TIP3 13003 13.307 -21.246 14.920 1.00 0.00 WAT +ATOM 45320 OH2 TIP3 13004 -5.214 -22.025 18.102 1.00 0.00 WAT +ATOM 45321 H1 TIP3 13004 -6.151 -21.962 17.859 1.00 0.00 WAT +ATOM 45322 H2 TIP3 13004 -4.778 -21.455 17.439 1.00 0.00 WAT +ATOM 45323 OH2 TIP3 13005 10.359 -6.547 19.656 1.00 0.00 WAT +ATOM 45324 H1 TIP3 13005 10.128 -7.288 19.072 1.00 0.00 WAT +ATOM 45325 H2 TIP3 13005 9.804 -6.738 20.421 1.00 0.00 WAT +ATOM 45326 OH2 TIP3 13006 -5.127 -23.229 26.309 1.00 0.00 WAT +ATOM 45327 H1 TIP3 13006 -5.936 -23.418 26.801 1.00 0.00 WAT +ATOM 45328 H2 TIP3 13006 -5.465 -22.695 25.565 1.00 0.00 WAT +ATOM 45329 OH2 TIP3 13007 -3.157 -10.054 30.926 1.00 0.00 WAT +ATOM 45330 H1 TIP3 13007 -3.813 -10.189 30.226 1.00 0.00 WAT +ATOM 45331 H2 TIP3 13007 -3.680 -10.150 31.728 1.00 0.00 WAT +ATOM 45332 OH2 TIP3 13008 -0.322 -9.089 26.609 1.00 0.00 WAT +ATOM 45333 H1 TIP3 13008 -0.601 -8.252 26.198 1.00 0.00 WAT +ATOM 45334 H2 TIP3 13008 0.637 -9.043 26.412 1.00 0.00 WAT +ATOM 45335 OH2 TIP3 13009 4.176 -7.799 29.599 1.00 0.00 WAT +ATOM 45336 H1 TIP3 13009 4.370 -7.996 30.529 1.00 0.00 WAT +ATOM 45337 H2 TIP3 13009 5.004 -7.362 29.313 1.00 0.00 WAT +ATOM 45338 OH2 TIP3 13010 6.470 -6.343 28.834 1.00 0.00 WAT +ATOM 45339 H1 TIP3 13010 7.148 -6.980 28.561 1.00 0.00 WAT +ATOM 45340 H2 TIP3 13010 6.795 -6.073 29.714 1.00 0.00 WAT +ATOM 45341 OH2 TIP3 13011 11.321 -23.763 28.019 1.00 0.00 WAT +ATOM 45342 H1 TIP3 13011 10.517 -23.554 27.511 1.00 0.00 WAT +ATOM 45343 H2 TIP3 13011 11.528 -24.661 27.685 1.00 0.00 WAT +ATOM 45344 OH2 TIP3 13012 -2.898 -6.150 26.951 1.00 0.00 WAT +ATOM 45345 H1 TIP3 13012 -3.485 -5.562 26.448 1.00 0.00 WAT +ATOM 45346 H2 TIP3 13012 -3.331 -6.158 27.810 1.00 0.00 WAT +ATOM 45347 OH2 TIP3 13013 -0.381 -6.357 25.512 1.00 0.00 WAT +ATOM 45348 H1 TIP3 13013 -1.267 -6.194 25.886 1.00 0.00 WAT +ATOM 45349 H2 TIP3 13013 -0.368 -5.781 24.725 1.00 0.00 WAT +ATOM 45350 OH2 TIP3 13014 4.196 -6.421 25.017 1.00 0.00 WAT +ATOM 45351 H1 TIP3 13014 3.906 -6.020 24.167 1.00 0.00 WAT +ATOM 45352 H2 TIP3 13014 4.389 -5.620 25.527 1.00 0.00 WAT +ATOM 45353 OH2 TIP3 13015 6.593 -7.663 25.977 1.00 0.00 WAT +ATOM 45354 H1 TIP3 13015 5.769 -7.367 25.546 1.00 0.00 WAT +ATOM 45355 H2 TIP3 13015 7.161 -6.896 25.833 1.00 0.00 WAT +ATOM 45356 OH2 TIP3 13016 9.201 -5.959 26.141 1.00 0.00 WAT +ATOM 45357 H1 TIP3 13016 9.106 -5.028 25.865 1.00 0.00 WAT +ATOM 45358 H2 TIP3 13016 9.398 -6.389 25.289 1.00 0.00 WAT +ATOM 45359 OH2 TIP3 13017 -3.388 -7.148 23.885 1.00 0.00 WAT +ATOM 45360 H1 TIP3 13017 -3.398 -7.721 24.677 1.00 0.00 WAT +ATOM 45361 H2 TIP3 13017 -2.673 -7.598 23.375 1.00 0.00 WAT +ATOM 45362 OH2 TIP3 13018 -1.439 -8.570 22.623 1.00 0.00 WAT +ATOM 45363 H1 TIP3 13018 -1.540 -9.538 22.670 1.00 0.00 WAT +ATOM 45364 H2 TIP3 13018 -0.470 -8.462 22.689 1.00 0.00 WAT +ATOM 45365 OH2 TIP3 13019 1.333 -8.178 23.141 1.00 0.00 WAT +ATOM 45366 H1 TIP3 13019 1.593 -9.085 22.910 1.00 0.00 WAT +ATOM 45367 H2 TIP3 13019 1.485 -8.171 24.098 1.00 0.00 WAT +ATOM 45368 OH2 TIP3 13020 4.725 -22.226 22.481 1.00 0.00 WAT +ATOM 45369 H1 TIP3 13020 4.014 -22.871 22.648 1.00 0.00 WAT +ATOM 45370 H2 TIP3 13020 5.276 -22.694 21.837 1.00 0.00 WAT +ATOM 45371 OH2 TIP3 13021 9.695 -24.251 22.944 1.00 0.00 WAT +ATOM 45372 H1 TIP3 13021 10.446 -23.797 22.524 1.00 0.00 WAT +ATOM 45373 H2 TIP3 13021 8.943 -23.954 22.401 1.00 0.00 WAT +ATOM 45374 OH2 TIP3 13022 11.782 -23.157 20.823 1.00 0.00 WAT +ATOM 45375 H1 TIP3 13022 12.488 -23.559 20.287 1.00 0.00 WAT +ATOM 45376 H2 TIP3 13022 12.093 -22.232 20.900 1.00 0.00 WAT +ATOM 45377 OH2 TIP3 13023 -2.747 -23.535 19.990 1.00 0.00 WAT +ATOM 45378 H1 TIP3 13023 -3.669 -23.701 19.726 1.00 0.00 WAT +ATOM 45379 H2 TIP3 13023 -2.425 -24.426 20.165 1.00 0.00 WAT +ATOM 45380 OH2 TIP3 13024 -4.093 -24.073 15.895 1.00 0.00 WAT +ATOM 45381 H1 TIP3 13024 -3.580 -23.408 15.389 1.00 0.00 WAT +ATOM 45382 H2 TIP3 13024 -4.494 -23.518 16.583 1.00 0.00 WAT +ATOM 45383 OH2 TIP3 13025 1.661 -23.877 19.862 1.00 0.00 WAT +ATOM 45384 H1 TIP3 13025 2.524 -23.434 19.822 1.00 0.00 WAT +ATOM 45385 H2 TIP3 13025 1.426 -23.765 20.789 1.00 0.00 WAT +ATOM 45386 OH2 TIP3 13026 7.187 -23.694 21.342 1.00 0.00 WAT +ATOM 45387 H1 TIP3 13026 7.406 -23.838 20.412 1.00 0.00 WAT +ATOM 45388 H2 TIP3 13026 6.758 -24.537 21.578 1.00 0.00 WAT +ATOM 45389 OH2 TIP3 13027 8.303 -23.710 17.322 1.00 0.00 WAT +ATOM 45390 H1 TIP3 13027 7.501 -23.161 17.215 1.00 0.00 WAT +ATOM 45391 H2 TIP3 13027 7.917 -24.593 17.464 1.00 0.00 WAT +ATOM 45392 OH2 TIP3 13028 -2.427 -22.295 14.364 1.00 0.00 WAT +ATOM 45393 H1 TIP3 13028 -1.755 -22.687 13.785 1.00 0.00 WAT +ATOM 45394 H2 TIP3 13028 -1.863 -21.809 14.994 1.00 0.00 WAT +ATOM 45395 OH2 TIP3 13029 3.201 -22.094 16.531 1.00 0.00 WAT +ATOM 45396 H1 TIP3 13029 3.014 -22.668 17.289 1.00 0.00 WAT +ATOM 45397 H2 TIP3 13029 3.061 -21.223 16.947 1.00 0.00 WAT +ATOM 45398 OH2 TIP3 13030 -3.138 -23.332 29.611 1.00 0.00 WAT +ATOM 45399 H1 TIP3 13030 -3.489 -24.174 29.948 1.00 0.00 WAT +ATOM 45400 H2 TIP3 13030 -2.193 -23.428 29.801 1.00 0.00 WAT +ATOM 45401 OH2 TIP3 13031 -0.696 -23.920 31.329 1.00 0.00 WAT +ATOM 45402 H1 TIP3 13031 0.115 -24.259 30.900 1.00 0.00 WAT +ATOM 45403 H2 TIP3 13031 -1.058 -24.734 31.710 1.00 0.00 WAT +ATOM 45404 OH2 TIP3 13032 7.396 -24.840 31.470 1.00 0.00 WAT +ATOM 45405 H1 TIP3 13032 7.440 -25.239 32.360 1.00 0.00 WAT +ATOM 45406 H2 TIP3 13032 8.334 -24.858 31.204 1.00 0.00 WAT +ATOM 45407 OH2 TIP3 13033 10.765 -8.482 30.160 1.00 0.00 WAT +ATOM 45408 H1 TIP3 13033 10.037 -8.681 29.542 1.00 0.00 WAT +ATOM 45409 H2 TIP3 13033 10.581 -7.545 30.357 1.00 0.00 WAT +ATOM 45410 OH2 TIP3 13034 24.957 -14.784 20.304 1.00 0.00 WAT +ATOM 45411 H1 TIP3 13034 24.967 -13.814 20.346 1.00 0.00 WAT +ATOM 45412 H2 TIP3 13034 24.239 -14.936 19.675 1.00 0.00 WAT +ATOM 45413 OH2 TIP3 13035 23.765 -15.366 23.372 1.00 0.00 WAT +ATOM 45414 H1 TIP3 13035 23.815 -15.909 24.177 1.00 0.00 WAT +ATOM 45415 H2 TIP3 13035 23.568 -16.036 22.700 1.00 0.00 WAT +ATOM 45416 OH2 TIP3 13036 16.342 -15.734 24.983 1.00 0.00 WAT +ATOM 45417 H1 TIP3 13036 16.263 -16.486 25.599 1.00 0.00 WAT +ATOM 45418 H2 TIP3 13036 16.998 -15.191 25.443 1.00 0.00 WAT +ATOM 45419 OH2 TIP3 13037 27.547 -12.595 21.665 1.00 0.00 WAT +ATOM 45420 H1 TIP3 13037 27.143 -13.324 22.158 1.00 0.00 WAT +ATOM 45421 H2 TIP3 13037 27.741 -11.975 22.381 1.00 0.00 WAT +ATOM 45422 OH2 TIP3 13038 16.934 -11.209 23.505 1.00 0.00 WAT +ATOM 45423 H1 TIP3 13038 16.713 -12.104 23.182 1.00 0.00 WAT +ATOM 45424 H2 TIP3 13038 17.867 -11.326 23.741 1.00 0.00 WAT +ATOM 45425 OH2 TIP3 13039 13.860 -17.718 19.029 1.00 0.00 WAT +ATOM 45426 H1 TIP3 13039 13.504 -16.812 19.057 1.00 0.00 WAT +ATOM 45427 H2 TIP3 13039 13.210 -18.149 18.461 1.00 0.00 WAT +ATOM 45428 OH2 TIP3 13040 14.611 -15.222 20.840 1.00 0.00 WAT +ATOM 45429 H1 TIP3 13040 14.745 -16.111 21.220 1.00 0.00 WAT +ATOM 45430 H2 TIP3 13040 15.393 -15.122 20.287 1.00 0.00 WAT +ATOM 45431 OH2 TIP3 13041 24.605 -7.252 22.265 1.00 0.00 WAT +ATOM 45432 H1 TIP3 13041 25.178 -7.992 21.989 1.00 0.00 WAT +ATOM 45433 H2 TIP3 13041 24.270 -7.576 23.112 1.00 0.00 WAT +ATOM 45434 OH2 TIP3 13042 22.325 -12.864 23.895 1.00 0.00 WAT +ATOM 45435 H1 TIP3 13042 22.673 -13.616 23.383 1.00 0.00 WAT +ATOM 45436 H2 TIP3 13042 23.108 -12.695 24.453 1.00 0.00 WAT +ATOM 45437 OH2 TIP3 13043 30.965 -21.334 24.549 1.00 0.00 WAT +ATOM 45438 H1 TIP3 13043 31.191 -20.777 25.312 1.00 0.00 WAT +ATOM 45439 H2 TIP3 13043 31.618 -21.024 23.899 1.00 0.00 WAT +ATOM 45440 OH2 TIP3 13044 25.609 -18.504 24.425 1.00 0.00 WAT +ATOM 45441 H1 TIP3 13044 25.733 -19.462 24.540 1.00 0.00 WAT +ATOM 45442 H2 TIP3 13044 25.495 -18.439 23.463 1.00 0.00 WAT +ATOM 45443 OH2 TIP3 13045 18.580 -20.499 21.520 1.00 0.00 WAT +ATOM 45444 H1 TIP3 13045 18.653 -19.659 21.048 1.00 0.00 WAT +ATOM 45445 H2 TIP3 13045 18.239 -21.066 20.798 1.00 0.00 WAT +ATOM 45446 OH2 TIP3 13046 26.425 -20.323 19.858 1.00 0.00 WAT +ATOM 45447 H1 TIP3 13046 27.009 -20.763 20.513 1.00 0.00 WAT +ATOM 45448 H2 TIP3 13046 27.079 -19.896 19.285 1.00 0.00 WAT +ATOM 45449 OH2 TIP3 13047 15.301 -17.738 22.026 1.00 0.00 WAT +ATOM 45450 H1 TIP3 13047 15.866 -18.287 22.593 1.00 0.00 WAT +ATOM 45451 H2 TIP3 13047 15.310 -18.236 21.191 1.00 0.00 WAT +ATOM 45452 OH2 TIP3 13048 20.642 -16.268 21.150 1.00 0.00 WAT +ATOM 45453 H1 TIP3 13048 21.308 -16.745 21.686 1.00 0.00 WAT +ATOM 45454 H2 TIP3 13048 19.959 -16.956 21.049 1.00 0.00 WAT +ATOM 45455 OH2 TIP3 13049 31.739 -19.892 27.068 1.00 0.00 WAT +ATOM 45456 H1 TIP3 13049 31.043 -19.258 26.818 1.00 0.00 WAT +ATOM 45457 H2 TIP3 13049 31.453 -20.101 27.973 1.00 0.00 WAT +ATOM 45458 OH2 TIP3 13050 17.386 -21.722 25.677 1.00 0.00 WAT +ATOM 45459 H1 TIP3 13050 16.965 -21.227 24.958 1.00 0.00 WAT +ATOM 45460 H2 TIP3 13050 16.727 -21.595 26.390 1.00 0.00 WAT +ATOM 45461 OH2 TIP3 13051 24.789 -11.977 18.971 1.00 0.00 WAT +ATOM 45462 H1 TIP3 13051 24.641 -12.101 18.013 1.00 0.00 WAT +ATOM 45463 H2 TIP3 13051 24.370 -11.111 19.119 1.00 0.00 WAT +ATOM 45464 OH2 TIP3 13052 20.304 -13.833 25.787 1.00 0.00 WAT +ATOM 45465 H1 TIP3 13052 19.572 -13.244 26.074 1.00 0.00 WAT +ATOM 45466 H2 TIP3 13052 20.926 -13.200 25.386 1.00 0.00 WAT +ATOM 45467 OH2 TIP3 13053 28.295 -21.111 21.875 1.00 0.00 WAT +ATOM 45468 H1 TIP3 13053 27.854 -21.696 22.505 1.00 0.00 WAT +ATOM 45469 H2 TIP3 13053 28.769 -20.504 22.470 1.00 0.00 WAT +ATOM 45470 OH2 TIP3 13054 16.973 -19.686 23.629 1.00 0.00 WAT +ATOM 45471 H1 TIP3 13054 17.617 -19.114 24.097 1.00 0.00 WAT +ATOM 45472 H2 TIP3 13054 17.547 -20.061 22.927 1.00 0.00 WAT +ATOM 45473 OH2 TIP3 13055 18.294 -11.983 26.520 1.00 0.00 WAT +ATOM 45474 H1 TIP3 13055 18.261 -11.054 26.224 1.00 0.00 WAT +ATOM 45475 H2 TIP3 13055 17.426 -12.043 26.965 1.00 0.00 WAT +ATOM 45476 OH2 TIP3 13056 28.067 -10.803 24.171 1.00 0.00 WAT +ATOM 45477 H1 TIP3 13056 27.094 -10.718 24.220 1.00 0.00 WAT +ATOM 45478 H2 TIP3 13056 28.298 -9.928 23.810 1.00 0.00 WAT +ATOM 45479 OH2 TIP3 13057 28.400 -21.876 25.726 1.00 0.00 WAT +ATOM 45480 H1 TIP3 13057 27.614 -21.522 25.272 1.00 0.00 WAT +ATOM 45481 H2 TIP3 13057 29.102 -21.742 25.067 1.00 0.00 WAT +ATOM 45482 OH2 TIP3 13058 21.524 -24.234 22.779 1.00 0.00 WAT +ATOM 45483 H1 TIP3 13058 21.293 -25.180 22.716 1.00 0.00 WAT +ATOM 45484 H2 TIP3 13058 20.697 -23.854 23.144 1.00 0.00 WAT +ATOM 45485 OH2 TIP3 13059 26.549 -8.897 20.953 1.00 0.00 WAT +ATOM 45486 H1 TIP3 13059 26.814 -9.672 20.427 1.00 0.00 WAT +ATOM 45487 H2 TIP3 13059 26.632 -8.178 20.315 1.00 0.00 WAT +ATOM 45488 OH2 TIP3 13060 27.960 -10.926 19.254 1.00 0.00 WAT +ATOM 45489 H1 TIP3 13060 27.503 -11.398 18.536 1.00 0.00 WAT +ATOM 45490 H2 TIP3 13060 27.826 -11.549 19.994 1.00 0.00 WAT +ATOM 45491 OH2 TIP3 13061 29.353 -12.190 27.860 1.00 0.00 WAT +ATOM 45492 H1 TIP3 13061 29.238 -12.850 27.152 1.00 0.00 WAT +ATOM 45493 H2 TIP3 13061 29.471 -11.364 27.358 1.00 0.00 WAT +ATOM 45494 OH2 TIP3 13062 23.463 -15.233 17.525 1.00 0.00 WAT +ATOM 45495 H1 TIP3 13062 22.939 -14.565 17.036 1.00 0.00 WAT +ATOM 45496 H2 TIP3 13062 24.260 -15.251 16.966 1.00 0.00 WAT +ATOM 45497 OH2 TIP3 13063 23.909 -17.325 14.843 1.00 0.00 WAT +ATOM 45498 H1 TIP3 13063 24.594 -16.727 15.190 1.00 0.00 WAT +ATOM 45499 H2 TIP3 13063 24.312 -17.584 14.006 1.00 0.00 WAT +ATOM 45500 OH2 TIP3 13064 31.137 -15.996 25.775 1.00 0.00 WAT +ATOM 45501 H1 TIP3 13064 30.387 -15.379 25.887 1.00 0.00 WAT +ATOM 45502 H2 TIP3 13064 31.570 -15.628 24.984 1.00 0.00 WAT +ATOM 45503 OH2 TIP3 13065 27.168 -15.257 18.672 1.00 0.00 WAT +ATOM 45504 H1 TIP3 13065 26.457 -15.058 19.320 1.00 0.00 WAT +ATOM 45505 H2 TIP3 13065 27.709 -15.887 19.177 1.00 0.00 WAT +ATOM 45506 OH2 TIP3 13066 26.972 -16.758 27.467 1.00 0.00 WAT +ATOM 45507 H1 TIP3 13066 27.007 -15.951 28.006 1.00 0.00 WAT +ATOM 45508 H2 TIP3 13066 26.313 -16.473 26.810 1.00 0.00 WAT +ATOM 45509 OH2 TIP3 13067 20.048 -11.152 23.191 1.00 0.00 WAT +ATOM 45510 H1 TIP3 13067 20.000 -11.359 22.248 1.00 0.00 WAT +ATOM 45511 H2 TIP3 13067 20.873 -11.593 23.471 1.00 0.00 WAT +ATOM 45512 OH2 TIP3 13068 19.352 -15.665 23.860 1.00 0.00 WAT +ATOM 45513 H1 TIP3 13068 20.005 -15.565 23.155 1.00 0.00 WAT +ATOM 45514 H2 TIP3 13068 19.687 -15.051 24.545 1.00 0.00 WAT +ATOM 45515 OH2 TIP3 13069 25.289 -10.211 24.483 1.00 0.00 WAT +ATOM 45516 H1 TIP3 13069 25.275 -9.532 25.179 1.00 0.00 WAT +ATOM 45517 H2 TIP3 13069 25.024 -11.021 24.953 1.00 0.00 WAT +ATOM 45518 OH2 TIP3 13070 20.153 -11.385 28.721 1.00 0.00 WAT +ATOM 45519 H1 TIP3 13070 19.645 -10.726 29.228 1.00 0.00 WAT +ATOM 45520 H2 TIP3 13070 19.498 -11.648 28.047 1.00 0.00 WAT +ATOM 45521 OH2 TIP3 13071 26.063 -15.864 16.138 1.00 0.00 WAT +ATOM 45522 H1 TIP3 13071 26.584 -15.520 16.887 1.00 0.00 WAT +ATOM 45523 H2 TIP3 13071 26.458 -15.362 15.383 1.00 0.00 WAT +ATOM 45524 OH2 TIP3 13072 17.081 -14.984 27.834 1.00 0.00 WAT +ATOM 45525 H1 TIP3 13072 17.133 -14.418 28.626 1.00 0.00 WAT +ATOM 45526 H2 TIP3 13072 16.120 -15.129 27.770 1.00 0.00 WAT +ATOM 45527 OH2 TIP3 13073 23.588 -9.241 19.667 1.00 0.00 WAT +ATOM 45528 H1 TIP3 13073 23.993 -8.838 20.439 1.00 0.00 WAT +ATOM 45529 H2 TIP3 13073 23.115 -8.491 19.267 1.00 0.00 WAT +ATOM 45530 OH2 TIP3 13074 18.254 -9.208 29.553 1.00 0.00 WAT +ATOM 45531 H1 TIP3 13074 18.134 -9.177 28.588 1.00 0.00 WAT +ATOM 45532 H2 TIP3 13074 17.372 -9.474 29.877 1.00 0.00 WAT +ATOM 45533 OH2 TIP3 13075 29.533 -24.110 15.605 1.00 0.00 WAT +ATOM 45534 H1 TIP3 13075 28.637 -24.024 15.981 1.00 0.00 WAT +ATOM 45535 H2 TIP3 13075 29.855 -23.196 15.651 1.00 0.00 WAT +ATOM 45536 OH2 TIP3 13076 30.632 -9.893 14.625 1.00 0.00 WAT +ATOM 45537 H1 TIP3 13076 30.921 -8.963 14.608 1.00 0.00 WAT +ATOM 45538 H2 TIP3 13076 31.458 -10.388 14.562 1.00 0.00 WAT +ATOM 45539 OH2 TIP3 13077 13.725 -13.095 26.669 1.00 0.00 WAT +ATOM 45540 H1 TIP3 13077 13.255 -13.072 25.809 1.00 0.00 WAT +ATOM 45541 H2 TIP3 13077 13.825 -14.053 26.819 1.00 0.00 WAT +ATOM 45542 OH2 TIP3 13078 13.781 -10.143 23.588 1.00 0.00 WAT +ATOM 45543 H1 TIP3 13078 14.695 -10.452 23.657 1.00 0.00 WAT +ATOM 45544 H2 TIP3 13078 13.704 -9.575 24.367 1.00 0.00 WAT +ATOM 45545 OH2 TIP3 13079 32.134 -9.571 29.340 1.00 0.00 WAT +ATOM 45546 H1 TIP3 13079 32.025 -10.532 29.223 1.00 0.00 WAT +ATOM 45547 H2 TIP3 13079 31.237 -9.323 29.659 1.00 0.00 WAT +ATOM 45548 OH2 TIP3 13080 22.789 -10.334 28.163 1.00 0.00 WAT +ATOM 45549 H1 TIP3 13080 22.865 -9.518 28.699 1.00 0.00 WAT +ATOM 45550 H2 TIP3 13080 21.889 -10.639 28.398 1.00 0.00 WAT +ATOM 45551 OH2 TIP3 13081 22.990 -6.491 18.265 1.00 0.00 WAT +ATOM 45552 H1 TIP3 13081 22.982 -6.568 17.286 1.00 0.00 WAT +ATOM 45553 H2 TIP3 13081 23.247 -5.568 18.403 1.00 0.00 WAT +ATOM 45554 OH2 TIP3 13082 16.420 -6.923 19.795 1.00 0.00 WAT +ATOM 45555 H1 TIP3 13082 16.874 -7.396 20.518 1.00 0.00 WAT +ATOM 45556 H2 TIP3 13082 15.902 -7.689 19.449 1.00 0.00 WAT +ATOM 45557 OH2 TIP3 13083 26.477 -7.247 14.920 1.00 0.00 WAT +ATOM 45558 H1 TIP3 13083 26.780 -8.000 14.370 1.00 0.00 WAT +ATOM 45559 H2 TIP3 13083 26.334 -7.624 15.783 1.00 0.00 WAT +ATOM 45560 OH2 TIP3 13084 25.981 -7.406 18.452 1.00 0.00 WAT +ATOM 45561 H1 TIP3 13084 25.152 -7.077 18.062 1.00 0.00 WAT +ATOM 45562 H2 TIP3 13084 25.926 -8.340 18.235 1.00 0.00 WAT +ATOM 45563 OH2 TIP3 13085 28.920 -18.210 29.794 1.00 0.00 WAT +ATOM 45564 H1 TIP3 13085 28.445 -17.873 29.024 1.00 0.00 WAT +ATOM 45565 H2 TIP3 13085 29.077 -19.140 29.525 1.00 0.00 WAT +ATOM 45566 OH2 TIP3 13086 15.898 -11.548 27.902 1.00 0.00 WAT +ATOM 45567 H1 TIP3 13086 16.160 -12.011 28.724 1.00 0.00 WAT +ATOM 45568 H2 TIP3 13086 15.153 -12.087 27.576 1.00 0.00 WAT +ATOM 45569 OH2 TIP3 13087 19.097 -23.075 23.677 1.00 0.00 WAT +ATOM 45570 H1 TIP3 13087 18.276 -23.152 23.158 1.00 0.00 WAT +ATOM 45571 H2 TIP3 13087 18.843 -22.361 24.284 1.00 0.00 WAT +ATOM 45572 OH2 TIP3 13088 23.465 -23.510 27.320 1.00 0.00 WAT +ATOM 45573 H1 TIP3 13088 23.983 -24.030 27.964 1.00 0.00 WAT +ATOM 45574 H2 TIP3 13088 22.557 -23.844 27.448 1.00 0.00 WAT +ATOM 45575 OH2 TIP3 13089 26.573 -19.748 27.777 1.00 0.00 WAT +ATOM 45576 H1 TIP3 13089 26.091 -19.918 28.605 1.00 0.00 WAT +ATOM 45577 H2 TIP3 13089 26.590 -18.780 27.720 1.00 0.00 WAT +ATOM 45578 OH2 TIP3 13090 27.732 -14.927 14.110 1.00 0.00 WAT +ATOM 45579 H1 TIP3 13090 27.329 -14.923 13.219 1.00 0.00 WAT +ATOM 45580 H2 TIP3 13090 28.554 -14.440 13.967 1.00 0.00 WAT +ATOM 45581 OH2 TIP3 13091 23.300 -21.043 14.597 1.00 0.00 WAT +ATOM 45582 H1 TIP3 13091 22.769 -21.138 15.399 1.00 0.00 WAT +ATOM 45583 H2 TIP3 13091 22.843 -21.662 14.003 1.00 0.00 WAT +ATOM 45584 OH2 TIP3 13092 18.948 -18.296 25.082 1.00 0.00 WAT +ATOM 45585 H1 TIP3 13092 18.386 -18.206 25.871 1.00 0.00 WAT +ATOM 45586 H2 TIP3 13092 19.005 -17.375 24.758 1.00 0.00 WAT +ATOM 45587 OH2 TIP3 13093 18.822 -17.929 19.721 1.00 0.00 WAT +ATOM 45588 H1 TIP3 13093 17.887 -18.210 19.684 1.00 0.00 WAT +ATOM 45589 H2 TIP3 13093 19.180 -18.429 18.949 1.00 0.00 WAT +ATOM 45590 OH2 TIP3 13094 24.505 -17.600 18.748 1.00 0.00 WAT +ATOM 45591 H1 TIP3 13094 24.070 -16.828 18.334 1.00 0.00 WAT +ATOM 45592 H2 TIP3 13094 25.176 -17.815 18.076 1.00 0.00 WAT +ATOM 45593 OH2 TIP3 13095 23.685 -17.446 30.109 1.00 0.00 WAT +ATOM 45594 H1 TIP3 13095 23.189 -18.214 30.459 1.00 0.00 WAT +ATOM 45595 H2 TIP3 13095 24.566 -17.585 30.505 1.00 0.00 WAT +ATOM 45596 OH2 TIP3 13096 25.317 -18.246 21.531 1.00 0.00 WAT +ATOM 45597 H1 TIP3 13096 25.047 -17.689 20.773 1.00 0.00 WAT +ATOM 45598 H2 TIP3 13096 25.546 -19.067 21.050 1.00 0.00 WAT +ATOM 45599 OH2 TIP3 13097 16.294 -18.117 26.909 1.00 0.00 WAT +ATOM 45600 H1 TIP3 13097 16.580 -17.818 27.780 1.00 0.00 WAT +ATOM 45601 H2 TIP3 13097 15.942 -19.001 27.112 1.00 0.00 WAT +ATOM 45602 OH2 TIP3 13098 19.720 -20.549 13.505 1.00 0.00 WAT +ATOM 45603 H1 TIP3 13098 19.321 -20.935 14.309 1.00 0.00 WAT +ATOM 45604 H2 TIP3 13098 18.939 -20.346 12.972 1.00 0.00 WAT +ATOM 45605 OH2 TIP3 13099 13.125 -20.692 20.585 1.00 0.00 WAT +ATOM 45606 H1 TIP3 13099 13.753 -20.722 21.330 1.00 0.00 WAT +ATOM 45607 H2 TIP3 13099 13.632 -21.047 19.839 1.00 0.00 WAT +ATOM 45608 OH2 TIP3 13100 14.696 -20.169 16.320 1.00 0.00 WAT +ATOM 45609 H1 TIP3 13100 15.207 -19.715 15.613 1.00 0.00 WAT +ATOM 45610 H2 TIP3 13100 13.992 -19.515 16.456 1.00 0.00 WAT +ATOM 45611 OH2 TIP3 13101 24.448 -16.580 25.971 1.00 0.00 WAT +ATOM 45612 H1 TIP3 13101 24.896 -17.307 25.479 1.00 0.00 WAT +ATOM 45613 H2 TIP3 13101 24.131 -17.053 26.754 1.00 0.00 WAT +ATOM 45614 OH2 TIP3 13102 21.659 -20.616 21.002 1.00 0.00 WAT +ATOM 45615 H1 TIP3 13102 20.719 -20.721 21.224 1.00 0.00 WAT +ATOM 45616 H2 TIP3 13102 22.085 -20.834 21.850 1.00 0.00 WAT +ATOM 45617 OH2 TIP3 13103 16.244 -19.376 19.655 1.00 0.00 WAT +ATOM 45618 H1 TIP3 13103 15.410 -19.104 19.228 1.00 0.00 WAT +ATOM 45619 H2 TIP3 13103 16.480 -20.184 19.165 1.00 0.00 WAT +ATOM 45620 OH2 TIP3 13104 19.899 -18.921 17.403 1.00 0.00 WAT +ATOM 45621 H1 TIP3 13104 20.862 -19.022 17.312 1.00 0.00 WAT +ATOM 45622 H2 TIP3 13104 19.618 -18.560 16.536 1.00 0.00 WAT +ATOM 45623 OH2 TIP3 13105 26.050 -21.477 23.995 1.00 0.00 WAT +ATOM 45624 H1 TIP3 13105 25.439 -21.480 24.765 1.00 0.00 WAT +ATOM 45625 H2 TIP3 13105 25.452 -21.823 23.311 1.00 0.00 WAT +ATOM 45626 OH2 TIP3 13106 18.444 -17.843 15.163 1.00 0.00 WAT +ATOM 45627 H1 TIP3 13106 17.723 -18.050 14.546 1.00 0.00 WAT +ATOM 45628 H2 TIP3 13106 19.165 -17.623 14.540 1.00 0.00 WAT +ATOM 45629 OH2 TIP3 13107 29.050 -5.712 30.685 1.00 0.00 WAT +ATOM 45630 H1 TIP3 13107 29.301 -5.256 29.868 1.00 0.00 WAT +ATOM 45631 H2 TIP3 13107 29.745 -5.422 31.302 1.00 0.00 WAT +ATOM 45632 OH2 TIP3 13108 16.968 -13.086 30.098 1.00 0.00 WAT +ATOM 45633 H1 TIP3 13108 17.639 -13.004 30.809 1.00 0.00 WAT +ATOM 45634 H2 TIP3 13108 16.159 -13.116 30.646 1.00 0.00 WAT +ATOM 45635 OH2 TIP3 13109 22.585 -17.990 22.739 1.00 0.00 WAT +ATOM 45636 H1 TIP3 13109 23.323 -18.439 22.300 1.00 0.00 WAT +ATOM 45637 H2 TIP3 13109 22.420 -18.587 23.499 1.00 0.00 WAT +ATOM 45638 OH2 TIP3 13110 18.010 -21.668 19.026 1.00 0.00 WAT +ATOM 45639 H1 TIP3 13110 17.410 -22.426 19.131 1.00 0.00 WAT +ATOM 45640 H2 TIP3 13110 18.770 -22.071 18.584 1.00 0.00 WAT +ATOM 45641 OH2 TIP3 13111 21.684 -19.567 25.013 1.00 0.00 WAT +ATOM 45642 H1 TIP3 13111 20.876 -19.036 25.104 1.00 0.00 WAT +ATOM 45643 H2 TIP3 13111 22.168 -19.374 25.842 1.00 0.00 WAT +ATOM 45644 OH2 TIP3 13112 21.702 -13.202 16.857 1.00 0.00 WAT +ATOM 45645 H1 TIP3 13112 20.897 -13.627 16.519 1.00 0.00 WAT +ATOM 45646 H2 TIP3 13112 21.525 -13.074 17.800 1.00 0.00 WAT +ATOM 45647 OH2 TIP3 13113 29.022 -14.078 25.694 1.00 0.00 WAT +ATOM 45648 H1 TIP3 13113 29.496 -13.534 25.030 1.00 0.00 WAT +ATOM 45649 H2 TIP3 13113 28.156 -14.201 25.259 1.00 0.00 WAT +ATOM 45650 OH2 TIP3 13114 25.954 -20.393 14.750 1.00 0.00 WAT +ATOM 45651 H1 TIP3 13114 24.972 -20.421 14.680 1.00 0.00 WAT +ATOM 45652 H2 TIP3 13114 26.100 -19.640 15.356 1.00 0.00 WAT +ATOM 45653 OH2 TIP3 13115 23.434 -13.223 28.276 1.00 0.00 WAT +ATOM 45654 H1 TIP3 13115 23.147 -13.562 29.136 1.00 0.00 WAT +ATOM 45655 H2 TIP3 13115 23.121 -12.306 28.299 1.00 0.00 WAT +ATOM 45656 OH2 TIP3 13116 26.618 -18.579 16.834 1.00 0.00 WAT +ATOM 45657 H1 TIP3 13116 27.525 -18.709 17.166 1.00 0.00 WAT +ATOM 45658 H2 TIP3 13116 26.663 -17.703 16.402 1.00 0.00 WAT +ATOM 45659 OH2 TIP3 13117 17.091 -13.935 22.554 1.00 0.00 WAT +ATOM 45660 H1 TIP3 13117 17.897 -14.084 22.062 1.00 0.00 WAT +ATOM 45661 H2 TIP3 13117 17.029 -14.744 23.087 1.00 0.00 WAT +ATOM 45662 OH2 TIP3 13118 24.276 -11.950 16.147 1.00 0.00 WAT +ATOM 45663 H1 TIP3 13118 23.907 -11.046 16.108 1.00 0.00 WAT +ATOM 45664 H2 TIP3 13118 23.524 -12.456 15.806 1.00 0.00 WAT +ATOM 45665 OH2 TIP3 13119 14.197 -15.580 28.047 1.00 0.00 WAT +ATOM 45666 H1 TIP3 13119 14.340 -16.023 28.908 1.00 0.00 WAT +ATOM 45667 H2 TIP3 13119 13.570 -16.171 27.599 1.00 0.00 WAT +ATOM 45668 OH2 TIP3 13120 21.166 -16.055 30.024 1.00 0.00 WAT +ATOM 45669 H1 TIP3 13120 20.827 -16.327 29.155 1.00 0.00 WAT +ATOM 45670 H2 TIP3 13120 22.092 -16.355 29.960 1.00 0.00 WAT +ATOM 45671 OH2 TIP3 13121 25.700 -10.601 27.748 1.00 0.00 WAT +ATOM 45672 H1 TIP3 13121 24.730 -10.554 27.700 1.00 0.00 WAT +ATOM 45673 H2 TIP3 13121 25.860 -10.395 28.684 1.00 0.00 WAT +ATOM 45674 OH2 TIP3 13122 31.234 -18.608 16.532 1.00 0.00 WAT +ATOM 45675 H1 TIP3 13122 30.677 -18.785 15.746 1.00 0.00 WAT +ATOM 45676 H2 TIP3 13122 31.358 -17.648 16.404 1.00 0.00 WAT +ATOM 45677 OH2 TIP3 13123 31.677 -12.540 29.324 1.00 0.00 WAT +ATOM 45678 H1 TIP3 13123 30.733 -12.335 29.156 1.00 0.00 WAT +ATOM 45679 H2 TIP3 13123 31.994 -12.717 28.418 1.00 0.00 WAT +ATOM 45680 OH2 TIP3 13124 26.685 -14.638 23.996 1.00 0.00 WAT +ATOM 45681 H1 TIP3 13124 25.750 -14.793 23.773 1.00 0.00 WAT +ATOM 45682 H2 TIP3 13124 27.114 -15.372 23.514 1.00 0.00 WAT +ATOM 45683 OH2 TIP3 13125 19.286 -10.596 20.189 1.00 0.00 WAT +ATOM 45684 H1 TIP3 13125 19.744 -9.798 19.871 1.00 0.00 WAT +ATOM 45685 H2 TIP3 13125 18.453 -10.510 19.702 1.00 0.00 WAT +ATOM 45686 OH2 TIP3 13126 15.205 -15.713 14.851 1.00 0.00 WAT +ATOM 45687 H1 TIP3 13126 15.862 -15.049 15.116 1.00 0.00 WAT +ATOM 45688 H2 TIP3 13126 14.394 -15.209 14.970 1.00 0.00 WAT +ATOM 45689 OH2 TIP3 13127 20.656 -13.263 19.635 1.00 0.00 WAT +ATOM 45690 H1 TIP3 13127 20.922 -12.324 19.619 1.00 0.00 WAT +ATOM 45691 H2 TIP3 13127 19.997 -13.204 20.334 1.00 0.00 WAT +ATOM 45692 OH2 TIP3 13128 21.305 -8.617 26.014 1.00 0.00 WAT +ATOM 45693 H1 TIP3 13128 21.859 -7.866 25.744 1.00 0.00 WAT +ATOM 45694 H2 TIP3 13128 21.911 -9.105 26.594 1.00 0.00 WAT +ATOM 45695 OH2 TIP3 13129 19.682 -7.687 19.330 1.00 0.00 WAT +ATOM 45696 H1 TIP3 13129 18.750 -7.551 19.139 1.00 0.00 WAT +ATOM 45697 H2 TIP3 13129 20.005 -6.778 19.457 1.00 0.00 WAT +ATOM 45698 OH2 TIP3 13130 24.706 -12.868 25.588 1.00 0.00 WAT +ATOM 45699 H1 TIP3 13130 24.415 -13.138 26.479 1.00 0.00 WAT +ATOM 45700 H2 TIP3 13130 25.450 -13.473 25.433 1.00 0.00 WAT +ATOM 45701 OH2 TIP3 13131 26.999 -11.609 14.526 1.00 0.00 WAT +ATOM 45702 H1 TIP3 13131 27.235 -12.103 15.332 1.00 0.00 WAT +ATOM 45703 H2 TIP3 13131 26.031 -11.680 14.561 1.00 0.00 WAT +ATOM 45704 OH2 TIP3 13132 27.673 -8.315 27.964 1.00 0.00 WAT +ATOM 45705 H1 TIP3 13132 26.900 -8.776 27.581 1.00 0.00 WAT +ATOM 45706 H2 TIP3 13132 27.726 -7.506 27.425 1.00 0.00 WAT +ATOM 45707 OH2 TIP3 13133 31.646 -7.266 15.094 1.00 0.00 WAT +ATOM 45708 H1 TIP3 13133 32.294 -6.631 14.747 1.00 0.00 WAT +ATOM 45709 H2 TIP3 13133 30.855 -6.696 15.119 1.00 0.00 WAT +ATOM 45710 OH2 TIP3 13134 15.503 -20.922 27.664 1.00 0.00 WAT +ATOM 45711 H1 TIP3 13134 14.595 -20.659 27.414 1.00 0.00 WAT +ATOM 45712 H2 TIP3 13134 15.349 -21.794 28.070 1.00 0.00 WAT +ATOM 45713 OH2 TIP3 13135 27.864 -12.911 16.922 1.00 0.00 WAT +ATOM 45714 H1 TIP3 13135 27.631 -13.673 17.479 1.00 0.00 WAT +ATOM 45715 H2 TIP3 13135 28.830 -12.870 16.991 1.00 0.00 WAT +ATOM 45716 OH2 TIP3 13136 15.290 -9.150 26.036 1.00 0.00 WAT +ATOM 45717 H1 TIP3 13136 15.546 -10.069 26.201 1.00 0.00 WAT +ATOM 45718 H2 TIP3 13136 15.477 -8.759 26.898 1.00 0.00 WAT +ATOM 45719 OH2 TIP3 13137 21.220 -10.494 13.063 1.00 0.00 WAT +ATOM 45720 H1 TIP3 13137 21.663 -11.134 12.457 1.00 0.00 WAT +ATOM 45721 H2 TIP3 13137 20.581 -11.055 13.521 1.00 0.00 WAT +ATOM 45722 OH2 TIP3 13138 19.726 -10.858 16.610 1.00 0.00 WAT +ATOM 45723 H1 TIP3 13138 20.331 -11.534 16.294 1.00 0.00 WAT +ATOM 45724 H2 TIP3 13138 19.694 -10.239 15.865 1.00 0.00 WAT +ATOM 45725 OH2 TIP3 13139 16.868 -13.558 16.521 1.00 0.00 WAT +ATOM 45726 H1 TIP3 13139 15.973 -13.221 16.649 1.00 0.00 WAT +ATOM 45727 H2 TIP3 13139 17.162 -12.865 15.906 1.00 0.00 WAT +ATOM 45728 OH2 TIP3 13140 24.494 -21.072 26.216 1.00 0.00 WAT +ATOM 45729 H1 TIP3 13140 25.132 -20.796 26.898 1.00 0.00 WAT +ATOM 45730 H2 TIP3 13140 24.012 -21.802 26.651 1.00 0.00 WAT +ATOM 45731 OH2 TIP3 13141 25.103 -21.642 17.484 1.00 0.00 WAT +ATOM 45732 H1 TIP3 13141 25.249 -21.120 16.678 1.00 0.00 WAT +ATOM 45733 H2 TIP3 13141 25.569 -21.116 18.154 1.00 0.00 WAT +ATOM 45734 OH2 TIP3 13142 22.973 -9.436 16.428 1.00 0.00 WAT +ATOM 45735 H1 TIP3 13142 22.089 -9.057 16.524 1.00 0.00 WAT +ATOM 45736 H2 TIP3 13142 23.331 -8.871 15.724 1.00 0.00 WAT +ATOM 45737 OH2 TIP3 13143 22.519 -19.650 18.422 1.00 0.00 WAT +ATOM 45738 H1 TIP3 13143 23.291 -19.064 18.547 1.00 0.00 WAT +ATOM 45739 H2 TIP3 13143 22.243 -19.821 19.343 1.00 0.00 WAT +ATOM 45740 OH2 TIP3 13144 22.895 -18.740 27.574 1.00 0.00 WAT +ATOM 45741 H1 TIP3 13144 22.944 -18.233 28.400 1.00 0.00 WAT +ATOM 45742 H2 TIP3 13144 23.435 -19.512 27.793 1.00 0.00 WAT +ATOM 45743 OH2 TIP3 13145 23.108 -22.636 19.364 1.00 0.00 WAT +ATOM 45744 H1 TIP3 13145 22.918 -21.940 20.021 1.00 0.00 WAT +ATOM 45745 H2 TIP3 13145 23.833 -22.224 18.852 1.00 0.00 WAT +ATOM 45746 OH2 TIP3 13146 20.085 -7.800 16.080 1.00 0.00 WAT +ATOM 45747 H1 TIP3 13146 20.631 -7.030 15.904 1.00 0.00 WAT +ATOM 45748 H2 TIP3 13146 20.029 -7.841 17.041 1.00 0.00 WAT +ATOM 45749 OH2 TIP3 13147 18.826 -21.648 15.891 1.00 0.00 WAT +ATOM 45750 H1 TIP3 13147 18.819 -20.888 16.490 1.00 0.00 WAT +ATOM 45751 H2 TIP3 13147 19.651 -22.103 16.152 1.00 0.00 WAT +ATOM 45752 OH2 TIP3 13148 29.322 -20.648 28.462 1.00 0.00 WAT +ATOM 45753 H1 TIP3 13148 28.377 -20.844 28.504 1.00 0.00 WAT +ATOM 45754 H2 TIP3 13148 29.534 -21.110 27.640 1.00 0.00 WAT +ATOM 45755 OH2 TIP3 13149 27.681 -16.897 22.465 1.00 0.00 WAT +ATOM 45756 H1 TIP3 13149 26.845 -17.344 22.234 1.00 0.00 WAT +ATOM 45757 H2 TIP3 13149 28.156 -17.602 22.960 1.00 0.00 WAT +ATOM 45758 OH2 TIP3 13150 15.325 -18.555 14.151 1.00 0.00 WAT +ATOM 45759 H1 TIP3 13150 15.423 -17.590 14.264 1.00 0.00 WAT +ATOM 45760 H2 TIP3 13150 14.669 -18.600 13.432 1.00 0.00 WAT +ATOM 45761 OH2 TIP3 13151 28.713 -8.036 23.819 1.00 0.00 WAT +ATOM 45762 H1 TIP3 13151 28.524 -7.189 23.376 1.00 0.00 WAT +ATOM 45763 H2 TIP3 13151 29.604 -7.872 24.161 1.00 0.00 WAT +ATOM 45764 OH2 TIP3 13152 16.323 -23.530 22.859 1.00 0.00 WAT +ATOM 45765 H1 TIP3 13152 16.130 -23.546 21.898 1.00 0.00 WAT +ATOM 45766 H2 TIP3 13152 15.966 -24.387 23.159 1.00 0.00 WAT +ATOM 45767 OH2 TIP3 13153 15.320 -9.388 18.892 1.00 0.00 WAT +ATOM 45768 H1 TIP3 13153 14.373 -9.587 18.880 1.00 0.00 WAT +ATOM 45769 H2 TIP3 13153 15.567 -9.656 17.995 1.00 0.00 WAT +ATOM 45770 OH2 TIP3 13154 14.609 -7.123 30.270 1.00 0.00 WAT +ATOM 45771 H1 TIP3 13154 15.180 -7.403 31.011 1.00 0.00 WAT +ATOM 45772 H2 TIP3 13154 14.214 -7.976 29.999 1.00 0.00 WAT +ATOM 45773 OH2 TIP3 13155 19.288 -8.056 32.059 1.00 0.00 WAT +ATOM 45774 H1 TIP3 13155 19.979 -8.698 32.284 1.00 0.00 WAT +ATOM 45775 H2 TIP3 13155 19.061 -8.333 31.157 1.00 0.00 WAT +ATOM 45776 OH2 TIP3 13156 23.407 -8.832 13.457 1.00 0.00 WAT +ATOM 45777 H1 TIP3 13156 22.594 -9.364 13.316 1.00 0.00 WAT +ATOM 45778 H2 TIP3 13156 23.967 -9.260 12.784 1.00 0.00 WAT +ATOM 45779 OH2 TIP3 13157 25.787 -9.805 30.631 1.00 0.00 WAT +ATOM 45780 H1 TIP3 13157 25.382 -10.601 31.020 1.00 0.00 WAT +ATOM 45781 H2 TIP3 13157 26.462 -9.575 31.296 1.00 0.00 WAT +ATOM 45782 OH2 TIP3 13158 28.006 -8.941 13.465 1.00 0.00 WAT +ATOM 45783 H1 TIP3 13158 28.270 -9.782 13.856 1.00 0.00 WAT +ATOM 45784 H2 TIP3 13158 28.677 -8.746 12.803 1.00 0.00 WAT +ATOM 45785 OH2 TIP3 13159 14.559 -13.492 31.399 1.00 0.00 WAT +ATOM 45786 H1 TIP3 13159 14.641 -14.403 31.072 1.00 0.00 WAT +ATOM 45787 H2 TIP3 13159 13.784 -13.185 30.889 1.00 0.00 WAT +ATOM 45788 OH2 TIP3 13160 19.350 -13.085 13.688 1.00 0.00 WAT +ATOM 45789 H1 TIP3 13160 18.707 -13.786 13.809 1.00 0.00 WAT +ATOM 45790 H2 TIP3 13160 19.453 -13.071 12.731 1.00 0.00 WAT +ATOM 45791 OH2 TIP3 13161 21.192 -13.300 30.738 1.00 0.00 WAT +ATOM 45792 H1 TIP3 13161 20.872 -12.979 29.880 1.00 0.00 WAT +ATOM 45793 H2 TIP3 13161 21.258 -14.268 30.596 1.00 0.00 WAT +ATOM 45794 OH2 TIP3 13162 26.555 -13.689 28.115 1.00 0.00 WAT +ATOM 45795 H1 TIP3 13162 27.333 -13.133 27.958 1.00 0.00 WAT +ATOM 45796 H2 TIP3 13162 25.847 -13.026 28.131 1.00 0.00 WAT +ATOM 45797 OH2 TIP3 13163 15.420 -16.353 30.575 1.00 0.00 WAT +ATOM 45798 H1 TIP3 13163 16.146 -16.999 30.583 1.00 0.00 WAT +ATOM 45799 H2 TIP3 13163 15.363 -16.141 31.521 1.00 0.00 WAT +ATOM 45800 OH2 TIP3 13164 19.844 -15.355 16.296 1.00 0.00 WAT +ATOM 45801 H1 TIP3 13164 18.919 -15.603 16.128 1.00 0.00 WAT +ATOM 45802 H2 TIP3 13164 20.191 -15.498 15.389 1.00 0.00 WAT +ATOM 45803 OH2 TIP3 13165 19.060 -17.240 27.992 1.00 0.00 WAT +ATOM 45804 H1 TIP3 13165 18.535 -16.449 28.214 1.00 0.00 WAT +ATOM 45805 H2 TIP3 13165 19.734 -16.870 27.395 1.00 0.00 WAT +ATOM 45806 OH2 TIP3 13166 20.781 -16.931 13.883 1.00 0.00 WAT +ATOM 45807 H1 TIP3 13166 20.727 -16.694 12.930 1.00 0.00 WAT +ATOM 45808 H2 TIP3 13166 21.741 -16.921 14.021 1.00 0.00 WAT +ATOM 45809 OH2 TIP3 13167 24.381 -14.517 31.554 1.00 0.00 WAT +ATOM 45810 H1 TIP3 13167 25.287 -14.712 31.272 1.00 0.00 WAT +ATOM 45811 H2 TIP3 13167 24.121 -15.357 31.959 1.00 0.00 WAT +ATOM 45812 OH2 TIP3 13168 30.454 -14.463 13.277 1.00 0.00 WAT +ATOM 45813 H1 TIP3 13168 30.110 -14.828 12.450 1.00 0.00 WAT +ATOM 45814 H2 TIP3 13168 30.234 -13.512 13.152 1.00 0.00 WAT +ATOM 45815 OH2 TIP3 13169 19.671 -19.927 29.148 1.00 0.00 WAT +ATOM 45816 H1 TIP3 13169 19.734 -20.593 28.440 1.00 0.00 WAT +ATOM 45817 H2 TIP3 13169 19.454 -19.125 28.642 1.00 0.00 WAT +ATOM 45818 OH2 TIP3 13170 20.002 -21.460 26.597 1.00 0.00 WAT +ATOM 45819 H1 TIP3 13170 20.514 -20.951 25.943 1.00 0.00 WAT +ATOM 45820 H2 TIP3 13170 19.089 -21.436 26.239 1.00 0.00 WAT +ATOM 45821 OH2 TIP3 13171 21.530 -16.025 26.990 1.00 0.00 WAT +ATOM 45822 H1 TIP3 13171 22.381 -16.116 26.535 1.00 0.00 WAT +ATOM 45823 H2 TIP3 13171 21.248 -15.136 26.698 1.00 0.00 WAT +ATOM 45824 OH2 TIP3 13172 26.135 -18.098 31.788 1.00 0.00 WAT +ATOM 45825 H1 TIP3 13172 26.356 -19.034 31.913 1.00 0.00 WAT +ATOM 45826 H2 TIP3 13172 27.020 -17.704 31.734 1.00 0.00 WAT +ATOM 45827 OH2 TIP3 13173 27.094 -15.294 30.273 1.00 0.00 WAT +ATOM 45828 H1 TIP3 13173 26.765 -14.683 29.582 1.00 0.00 WAT +ATOM 45829 H2 TIP3 13173 27.977 -15.501 29.911 1.00 0.00 WAT +ATOM 45830 OH2 TIP3 13174 17.882 -18.089 30.948 1.00 0.00 WAT +ATOM 45831 H1 TIP3 13174 17.341 -18.899 30.950 1.00 0.00 WAT +ATOM 45832 H2 TIP3 13174 18.686 -18.393 30.501 1.00 0.00 WAT +ATOM 45833 OH2 TIP3 13175 20.715 -24.138 26.959 1.00 0.00 WAT +ATOM 45834 H1 TIP3 13175 20.546 -23.186 26.792 1.00 0.00 WAT +ATOM 45835 H2 TIP3 13175 20.018 -24.553 26.415 1.00 0.00 WAT +ATOM 45836 OH2 TIP3 13176 21.978 -19.563 30.745 1.00 0.00 WAT +ATOM 45837 H1 TIP3 13176 21.629 -19.783 31.626 1.00 0.00 WAT +ATOM 45838 H2 TIP3 13176 21.185 -19.761 30.203 1.00 0.00 WAT +ATOM 45839 OH2 TIP3 13177 24.516 -20.524 29.607 1.00 0.00 WAT +ATOM 45840 H1 TIP3 13177 23.641 -20.479 30.032 1.00 0.00 WAT +ATOM 45841 H2 TIP3 13177 24.995 -21.141 30.197 1.00 0.00 WAT +ATOM 45842 OH2 TIP3 13178 26.294 -22.010 31.317 1.00 0.00 WAT +ATOM 45843 H1 TIP3 13178 26.256 -22.971 31.484 1.00 0.00 WAT +ATOM 45844 H2 TIP3 13178 26.223 -21.625 32.212 1.00 0.00 WAT +ATOM 45845 OH2 TIP3 13179 16.557 -20.633 30.783 1.00 0.00 WAT +ATOM 45846 H1 TIP3 13179 16.454 -21.333 30.119 1.00 0.00 WAT +ATOM 45847 H2 TIP3 13179 16.311 -21.102 31.603 1.00 0.00 WAT +ATOM 45848 OH2 TIP3 13180 20.556 -24.659 29.770 1.00 0.00 WAT +ATOM 45849 H1 TIP3 13180 21.169 -25.411 29.811 1.00 0.00 WAT +ATOM 45850 H2 TIP3 13180 20.523 -24.501 28.806 1.00 0.00 WAT +ATOM 45851 OH2 TIP3 13181 21.487 -22.797 31.643 1.00 0.00 WAT +ATOM 45852 H1 TIP3 13181 21.194 -23.375 30.910 1.00 0.00 WAT +ATOM 45853 H2 TIP3 13181 20.813 -22.099 31.642 1.00 0.00 WAT +ATOM 45854 OH2 TIP3 13182 13.427 -6.153 19.154 1.00 0.00 WAT +ATOM 45855 H1 TIP3 13182 12.617 -6.460 18.710 1.00 0.00 WAT +ATOM 45856 H2 TIP3 13182 13.474 -6.816 19.880 1.00 0.00 WAT +ATOM 45857 OH2 TIP3 13183 13.853 -7.998 21.342 1.00 0.00 WAT +ATOM 45858 H1 TIP3 13183 13.585 -8.919 21.482 1.00 0.00 WAT +ATOM 45859 H2 TIP3 13183 14.154 -7.777 22.232 1.00 0.00 WAT +ATOM 45860 OH2 TIP3 13184 31.445 -6.824 24.348 1.00 0.00 WAT +ATOM 45861 H1 TIP3 13184 31.539 -6.908 25.311 1.00 0.00 WAT +ATOM 45862 H2 TIP3 13184 32.351 -6.615 24.081 1.00 0.00 WAT +ATOM 45863 OH2 TIP3 13185 31.323 -7.421 27.216 1.00 0.00 WAT +ATOM 45864 H1 TIP3 13185 30.780 -8.175 26.917 1.00 0.00 WAT +ATOM 45865 H2 TIP3 13185 31.848 -7.860 27.905 1.00 0.00 WAT +ATOM 45866 OH2 TIP3 13186 29.313 -11.994 31.528 1.00 0.00 WAT +ATOM 45867 H1 TIP3 13186 28.435 -11.929 31.941 1.00 0.00 WAT +ATOM 45868 H2 TIP3 13186 29.769 -11.205 31.870 1.00 0.00 WAT +ATOM 45869 OH2 TIP3 13187 30.838 -13.044 17.318 1.00 0.00 WAT +ATOM 45870 H1 TIP3 13187 31.750 -12.806 17.551 1.00 0.00 WAT +ATOM 45871 H2 TIP3 13187 30.640 -13.720 17.990 1.00 0.00 WAT +ATOM 45872 OH2 TIP3 13188 31.173 -15.121 19.244 1.00 0.00 WAT +ATOM 45873 H1 TIP3 13188 30.475 -15.687 19.634 1.00 0.00 WAT +ATOM 45874 H2 TIP3 13188 31.831 -15.056 19.962 1.00 0.00 WAT +ATOM 45875 OH2 TIP3 13189 30.893 -12.647 24.216 1.00 0.00 WAT +ATOM 45876 H1 TIP3 13189 31.548 -13.120 23.681 1.00 0.00 WAT +ATOM 45877 H2 TIP3 13189 31.001 -11.728 23.928 1.00 0.00 WAT +ATOM 45878 OH2 TIP3 13190 29.614 -9.690 26.434 1.00 0.00 WAT +ATOM 45879 H1 TIP3 13190 28.896 -9.321 26.981 1.00 0.00 WAT +ATOM 45880 H2 TIP3 13190 29.119 -10.087 25.690 1.00 0.00 WAT +ATOM 45881 OH2 TIP3 13191 31.544 -15.638 15.794 1.00 0.00 WAT +ATOM 45882 H1 TIP3 13191 30.976 -15.432 15.026 1.00 0.00 WAT +ATOM 45883 H2 TIP3 13191 31.305 -14.914 16.392 1.00 0.00 WAT +ATOM 45884 OH2 TIP3 13192 29.856 -18.169 14.072 1.00 0.00 WAT +ATOM 45885 H1 TIP3 13192 29.832 -17.531 13.349 1.00 0.00 WAT +ATOM 45886 H2 TIP3 13192 29.483 -18.968 13.646 1.00 0.00 WAT +ATOM 45887 OH2 TIP3 13193 29.141 -17.002 20.077 1.00 0.00 WAT +ATOM 45888 H1 TIP3 13193 29.033 -17.951 19.895 1.00 0.00 WAT +ATOM 45889 H2 TIP3 13193 28.721 -16.915 20.958 1.00 0.00 WAT +ATOM 45890 OH2 TIP3 13194 13.972 -14.786 23.742 1.00 0.00 WAT +ATOM 45891 H1 TIP3 13194 14.185 -14.748 22.791 1.00 0.00 WAT +ATOM 45892 H2 TIP3 13194 14.845 -15.017 24.121 1.00 0.00 WAT +ATOM 45893 OH2 TIP3 13195 29.749 -15.100 29.220 1.00 0.00 WAT +ATOM 45894 H1 TIP3 13195 30.462 -15.747 29.389 1.00 0.00 WAT +ATOM 45895 H2 TIP3 13195 30.234 -14.277 29.081 1.00 0.00 WAT +ATOM 45896 OH2 TIP3 13196 31.332 -17.084 30.307 1.00 0.00 WAT +ATOM 45897 H1 TIP3 13196 30.491 -17.572 30.171 1.00 0.00 WAT +ATOM 45898 H2 TIP3 13196 31.956 -17.829 30.370 1.00 0.00 WAT +ATOM 45899 OH2 TIP3 13197 29.159 -20.772 13.295 1.00 0.00 WAT +ATOM 45900 H1 TIP3 13197 29.703 -21.294 13.907 1.00 0.00 WAT +ATOM 45901 H2 TIP3 13197 28.344 -21.295 13.204 1.00 0.00 WAT +ATOM 45902 OH2 TIP3 13198 28.996 -19.501 18.275 1.00 0.00 WAT +ATOM 45903 H1 TIP3 13198 29.210 -20.458 18.296 1.00 0.00 WAT +ATOM 45904 H2 TIP3 13198 29.790 -19.152 17.834 1.00 0.00 WAT +ATOM 45905 OH2 TIP3 13199 29.214 -18.889 23.676 1.00 0.00 WAT +ATOM 45906 H1 TIP3 13199 30.189 -18.815 23.689 1.00 0.00 WAT +ATOM 45907 H2 TIP3 13199 29.039 -18.901 24.636 1.00 0.00 WAT +ATOM 45908 OH2 TIP3 13200 29.366 -18.187 26.456 1.00 0.00 WAT +ATOM 45909 H1 TIP3 13200 28.508 -17.840 26.763 1.00 0.00 WAT +ATOM 45910 H2 TIP3 13200 29.877 -17.374 26.303 1.00 0.00 WAT +ATOM 45911 OH2 TIP3 13201 13.869 -19.429 30.171 1.00 0.00 WAT +ATOM 45912 H1 TIP3 13201 14.802 -19.699 30.206 1.00 0.00 WAT +ATOM 45913 H2 TIP3 13201 13.416 -20.288 30.238 1.00 0.00 WAT +ATOM 45914 OH2 TIP3 13202 29.448 -22.295 18.225 1.00 0.00 WAT +ATOM 45915 H1 TIP3 13202 29.531 -22.639 19.132 1.00 0.00 WAT +ATOM 45916 H2 TIP3 13202 28.653 -22.780 17.916 1.00 0.00 WAT +ATOM 45917 OH2 TIP3 13203 14.637 -21.097 22.962 1.00 0.00 WAT +ATOM 45918 H1 TIP3 13203 15.085 -21.956 23.047 1.00 0.00 WAT +ATOM 45919 H2 TIP3 13203 15.310 -20.499 23.337 1.00 0.00 WAT +ATOM 45920 OH2 TIP3 13204 13.196 -18.438 24.041 1.00 0.00 WAT +ATOM 45921 H1 TIP3 13204 13.726 -18.454 23.230 1.00 0.00 WAT +ATOM 45922 H2 TIP3 13204 13.526 -17.636 24.466 1.00 0.00 WAT +ATOM 45923 OH2 TIP3 13205 31.416 -21.824 14.914 1.00 0.00 WAT +ATOM 45924 H1 TIP3 13205 31.707 -22.617 14.431 1.00 0.00 WAT +ATOM 45925 H2 TIP3 13205 32.229 -21.298 14.958 1.00 0.00 WAT +ATOM 45926 OH2 TIP3 13206 13.670 -22.083 18.070 1.00 0.00 WAT +ATOM 45927 H1 TIP3 13206 12.718 -22.044 17.871 1.00 0.00 WAT +ATOM 45928 H2 TIP3 13206 14.055 -21.471 17.410 1.00 0.00 WAT +ATOM 45929 OH2 TIP3 13207 28.867 -6.355 19.888 1.00 0.00 WAT +ATOM 45930 H1 TIP3 13207 28.586 -7.177 19.472 1.00 0.00 WAT +ATOM 45931 H2 TIP3 13207 28.949 -6.585 20.820 1.00 0.00 WAT +ATOM 45932 OH2 TIP3 13208 13.715 -23.201 26.225 1.00 0.00 WAT +ATOM 45933 H1 TIP3 13208 13.002 -23.468 26.821 1.00 0.00 WAT +ATOM 45934 H2 TIP3 13208 13.220 -22.674 25.569 1.00 0.00 WAT +ATOM 45935 OH2 TIP3 13209 15.704 -10.098 30.894 1.00 0.00 WAT +ATOM 45936 H1 TIP3 13209 14.969 -10.129 30.264 1.00 0.00 WAT +ATOM 45937 H2 TIP3 13209 15.248 -10.153 31.745 1.00 0.00 WAT +ATOM 45938 OH2 TIP3 13210 18.547 -9.135 26.577 1.00 0.00 WAT +ATOM 45939 H1 TIP3 13210 18.223 -8.288 26.227 1.00 0.00 WAT +ATOM 45940 H2 TIP3 13210 19.503 -9.034 26.398 1.00 0.00 WAT +ATOM 45941 OH2 TIP3 13211 23.058 -7.823 29.582 1.00 0.00 WAT +ATOM 45942 H1 TIP3 13211 23.174 -7.991 30.533 1.00 0.00 WAT +ATOM 45943 H2 TIP3 13211 23.896 -7.374 29.357 1.00 0.00 WAT +ATOM 45944 OH2 TIP3 13212 25.374 -6.342 28.805 1.00 0.00 WAT +ATOM 45945 H1 TIP3 13212 26.028 -7.034 28.629 1.00 0.00 WAT +ATOM 45946 H2 TIP3 13212 25.646 -6.048 29.697 1.00 0.00 WAT +ATOM 45947 OH2 TIP3 13213 15.936 -6.146 26.912 1.00 0.00 WAT +ATOM 45948 H1 TIP3 13213 15.304 -5.546 26.475 1.00 0.00 WAT +ATOM 45949 H2 TIP3 13213 15.582 -6.147 27.810 1.00 0.00 WAT +ATOM 45950 OH2 TIP3 13214 18.446 -6.374 25.500 1.00 0.00 WAT +ATOM 45951 H1 TIP3 13214 17.569 -6.230 25.909 1.00 0.00 WAT +ATOM 45952 H2 TIP3 13214 18.458 -5.702 24.796 1.00 0.00 WAT +ATOM 45953 OH2 TIP3 13215 23.172 -6.400 25.012 1.00 0.00 WAT +ATOM 45954 H1 TIP3 13215 22.756 -5.962 24.247 1.00 0.00 WAT +ATOM 45955 H2 TIP3 13215 23.219 -5.664 25.652 1.00 0.00 WAT +ATOM 45956 OH2 TIP3 13216 25.497 -7.676 25.916 1.00 0.00 WAT +ATOM 45957 H1 TIP3 13216 24.636 -7.339 25.603 1.00 0.00 WAT +ATOM 45958 H2 TIP3 13216 26.016 -6.862 25.949 1.00 0.00 WAT +ATOM 45959 OH2 TIP3 13217 28.061 -5.940 26.137 1.00 0.00 WAT +ATOM 45960 H1 TIP3 13217 27.952 -4.999 25.909 1.00 0.00 WAT +ATOM 45961 H2 TIP3 13217 28.280 -6.317 25.271 1.00 0.00 WAT +ATOM 45962 OH2 TIP3 13218 15.557 -7.267 23.861 1.00 0.00 WAT +ATOM 45963 H1 TIP3 13218 15.497 -7.801 24.682 1.00 0.00 WAT +ATOM 45964 H2 TIP3 13218 16.245 -7.771 23.373 1.00 0.00 WAT +ATOM 45965 OH2 TIP3 13219 17.474 -8.573 22.340 1.00 0.00 WAT +ATOM 45966 H1 TIP3 13219 17.327 -9.530 22.476 1.00 0.00 WAT +ATOM 45967 H2 TIP3 13219 18.413 -8.478 22.574 1.00 0.00 WAT +ATOM 45968 OH2 TIP3 13220 20.299 -8.124 23.182 1.00 0.00 WAT +ATOM 45969 H1 TIP3 13220 20.455 -9.047 22.926 1.00 0.00 WAT +ATOM 45970 H2 TIP3 13220 20.323 -8.198 24.149 1.00 0.00 WAT +ATOM 45971 OH2 TIP3 13221 23.592 -22.264 22.469 1.00 0.00 WAT +ATOM 45972 H1 TIP3 13221 22.910 -22.946 22.628 1.00 0.00 WAT +ATOM 45973 H2 TIP3 13221 24.201 -22.730 21.875 1.00 0.00 WAT +ATOM 45974 OH2 TIP3 13222 28.560 -24.256 22.928 1.00 0.00 WAT +ATOM 45975 H1 TIP3 13222 29.310 -23.795 22.518 1.00 0.00 WAT +ATOM 45976 H2 TIP3 13222 27.807 -23.957 22.391 1.00 0.00 WAT +ATOM 45977 OH2 TIP3 13223 30.640 -23.143 20.808 1.00 0.00 WAT +ATOM 45978 H1 TIP3 13223 31.349 -23.564 20.288 1.00 0.00 WAT +ATOM 45979 H2 TIP3 13223 30.948 -22.228 20.902 1.00 0.00 WAT +ATOM 45980 OH2 TIP3 13224 15.956 -23.557 20.045 1.00 0.00 WAT +ATOM 45981 H1 TIP3 13224 15.096 -23.671 19.593 1.00 0.00 WAT +ATOM 45982 H2 TIP3 13224 16.368 -24.426 19.880 1.00 0.00 WAT +ATOM 45983 OH2 TIP3 13225 14.781 -24.072 15.907 1.00 0.00 WAT +ATOM 45984 H1 TIP3 13225 15.277 -23.413 15.377 1.00 0.00 WAT +ATOM 45985 H2 TIP3 13225 14.347 -23.507 16.566 1.00 0.00 WAT +ATOM 45986 OH2 TIP3 13226 20.427 -23.725 19.912 1.00 0.00 WAT +ATOM 45987 H1 TIP3 13226 21.346 -23.440 19.776 1.00 0.00 WAT +ATOM 45988 H2 TIP3 13226 20.400 -23.828 20.869 1.00 0.00 WAT +ATOM 45989 OH2 TIP3 13227 26.017 -23.682 21.316 1.00 0.00 WAT +ATOM 45990 H1 TIP3 13227 26.273 -23.862 20.401 1.00 0.00 WAT +ATOM 45991 H2 TIP3 13227 25.629 -24.536 21.582 1.00 0.00 WAT +ATOM 45992 OH2 TIP3 13228 27.129 -23.683 17.312 1.00 0.00 WAT +ATOM 45993 H1 TIP3 13228 26.304 -23.180 17.165 1.00 0.00 WAT +ATOM 45994 H2 TIP3 13228 26.776 -24.580 17.444 1.00 0.00 WAT +ATOM 45995 OH2 TIP3 13229 16.446 -22.293 14.396 1.00 0.00 WAT +ATOM 45996 H1 TIP3 13229 17.062 -22.751 13.798 1.00 0.00 WAT +ATOM 45997 H2 TIP3 13229 17.068 -21.906 15.040 1.00 0.00 WAT +ATOM 45998 OH2 TIP3 13230 21.558 -22.053 16.981 1.00 0.00 WAT +ATOM 45999 H1 TIP3 13230 21.915 -22.641 17.663 1.00 0.00 WAT +ATOM 46000 H2 TIP3 13230 21.799 -21.190 17.353 1.00 0.00 WAT +ATOM 46001 OH2 TIP3 13231 23.319 -6.729 15.513 1.00 0.00 WAT +ATOM 46002 H1 TIP3 13231 24.076 -6.155 15.303 1.00 0.00 WAT +ATOM 46003 H2 TIP3 13231 23.179 -7.149 14.643 1.00 0.00 WAT +ATOM 46004 OH2 TIP3 13232 30.182 -7.933 17.600 1.00 0.00 WAT +ATOM 46005 H1 TIP3 13232 29.735 -8.393 16.870 1.00 0.00 WAT +ATOM 46006 H2 TIP3 13232 30.007 -7.015 17.317 1.00 0.00 WAT +ATOM 46007 OH2 TIP3 13233 15.748 -23.316 29.566 1.00 0.00 WAT +ATOM 46008 H1 TIP3 13233 15.347 -24.132 29.917 1.00 0.00 WAT +ATOM 46009 H2 TIP3 13233 16.674 -23.440 29.828 1.00 0.00 WAT +ATOM 46010 OH2 TIP3 13234 18.143 -23.926 31.306 1.00 0.00 WAT +ATOM 46011 H1 TIP3 13234 18.962 -24.273 30.897 1.00 0.00 WAT +ATOM 46012 H2 TIP3 13234 17.785 -24.729 31.715 1.00 0.00 WAT +ATOM 46013 OH2 TIP3 13235 26.552 -24.815 31.401 1.00 0.00 WAT +ATOM 46014 H1 TIP3 13235 26.573 -25.198 32.298 1.00 0.00 WAT +ATOM 46015 H2 TIP3 13235 27.490 -24.754 31.186 1.00 0.00 WAT +ATOM 46016 OH2 TIP3 13236 29.658 -8.465 30.121 1.00 0.00 WAT +ATOM 46017 H1 TIP3 13236 28.886 -8.688 29.572 1.00 0.00 WAT +ATOM 46018 H2 TIP3 13236 29.436 -7.554 30.389 1.00 0.00 WAT +ATOM 46019 OH2 TIP3 13237 42.061 -15.612 23.348 1.00 0.00 WAT +ATOM 46020 H1 TIP3 13237 42.804 -15.491 23.970 1.00 0.00 WAT +ATOM 46021 H2 TIP3 13237 42.540 -15.763 22.527 1.00 0.00 WAT +ATOM 46022 OH2 TIP3 13238 35.335 -15.709 24.946 1.00 0.00 WAT +ATOM 46023 H1 TIP3 13238 35.177 -16.474 25.531 1.00 0.00 WAT +ATOM 46024 H2 TIP3 13238 35.847 -15.143 25.546 1.00 0.00 WAT +ATOM 46025 OH2 TIP3 13239 35.805 -11.196 23.427 1.00 0.00 WAT +ATOM 46026 H1 TIP3 13239 35.613 -12.123 23.188 1.00 0.00 WAT +ATOM 46027 H2 TIP3 13239 36.686 -11.296 23.821 1.00 0.00 WAT +ATOM 46028 OH2 TIP3 13240 32.887 -17.714 18.939 1.00 0.00 WAT +ATOM 46029 H1 TIP3 13240 32.383 -16.889 19.010 1.00 0.00 WAT +ATOM 46030 H2 TIP3 13240 32.202 -18.320 18.624 1.00 0.00 WAT +ATOM 46031 OH2 TIP3 13241 33.575 -15.292 20.811 1.00 0.00 WAT +ATOM 46032 H1 TIP3 13241 33.699 -16.149 21.266 1.00 0.00 WAT +ATOM 46033 H2 TIP3 13241 34.404 -15.218 20.328 1.00 0.00 WAT +ATOM 46034 OH2 TIP3 13242 41.228 -12.855 23.986 1.00 0.00 WAT +ATOM 46035 H1 TIP3 13242 41.562 -13.638 23.514 1.00 0.00 WAT +ATOM 46036 H2 TIP3 13242 42.005 -12.605 24.504 1.00 0.00 WAT +ATOM 46037 OH2 TIP3 13243 37.481 -20.356 21.409 1.00 0.00 WAT +ATOM 46038 H1 TIP3 13243 37.169 -19.599 20.901 1.00 0.00 WAT +ATOM 46039 H2 TIP3 13243 37.196 -21.073 20.816 1.00 0.00 WAT +ATOM 46040 OH2 TIP3 13244 34.166 -17.768 22.001 1.00 0.00 WAT +ATOM 46041 H1 TIP3 13244 34.719 -18.320 22.582 1.00 0.00 WAT +ATOM 46042 H2 TIP3 13244 34.104 -18.316 21.203 1.00 0.00 WAT +ATOM 46043 OH2 TIP3 13245 36.259 -21.729 25.657 1.00 0.00 WAT +ATOM 46044 H1 TIP3 13245 35.812 -21.201 24.983 1.00 0.00 WAT +ATOM 46045 H2 TIP3 13245 35.611 -21.662 26.392 1.00 0.00 WAT +ATOM 46046 OH2 TIP3 13246 39.050 -13.942 25.695 1.00 0.00 WAT +ATOM 46047 H1 TIP3 13246 38.373 -13.328 26.048 1.00 0.00 WAT +ATOM 46048 H2 TIP3 13246 39.771 -13.329 25.474 1.00 0.00 WAT +ATOM 46049 OH2 TIP3 13247 35.842 -19.650 23.583 1.00 0.00 WAT +ATOM 46050 H1 TIP3 13247 36.475 -19.125 24.122 1.00 0.00 WAT +ATOM 46051 H2 TIP3 13247 36.459 -20.045 22.934 1.00 0.00 WAT +ATOM 46052 OH2 TIP3 13248 37.121 -11.992 26.450 1.00 0.00 WAT +ATOM 46053 H1 TIP3 13248 37.142 -11.034 26.260 1.00 0.00 WAT +ATOM 46054 H2 TIP3 13248 36.288 -12.048 26.959 1.00 0.00 WAT +ATOM 46055 OH2 TIP3 13249 33.353 -11.709 17.612 1.00 0.00 WAT +ATOM 46056 H1 TIP3 13249 33.267 -11.737 16.637 1.00 0.00 WAT +ATOM 46057 H2 TIP3 13249 33.958 -10.971 17.737 1.00 0.00 WAT +ATOM 46058 OH2 TIP3 13250 40.438 -24.253 22.815 1.00 0.00 WAT +ATOM 46059 H1 TIP3 13250 40.161 -25.188 22.817 1.00 0.00 WAT +ATOM 46060 H2 TIP3 13250 39.641 -23.817 23.181 1.00 0.00 WAT +ATOM 46061 OH2 TIP3 13251 42.638 -15.417 17.474 1.00 0.00 WAT +ATOM 46062 H1 TIP3 13251 41.997 -14.711 17.275 1.00 0.00 WAT +ATOM 46063 H2 TIP3 13251 43.344 -15.204 16.861 1.00 0.00 WAT +ATOM 46064 OH2 TIP3 13252 42.879 -16.968 14.649 1.00 0.00 WAT +ATOM 46065 H1 TIP3 13252 43.677 -16.972 15.204 1.00 0.00 WAT +ATOM 46066 H2 TIP3 13252 42.999 -17.745 14.093 1.00 0.00 WAT +ATOM 46067 OH2 TIP3 13253 38.968 -11.149 23.167 1.00 0.00 WAT +ATOM 46068 H1 TIP3 13253 38.972 -11.524 22.282 1.00 0.00 WAT +ATOM 46069 H2 TIP3 13253 39.754 -11.568 23.567 1.00 0.00 WAT +ATOM 46070 OH2 TIP3 13254 38.359 -15.577 23.400 1.00 0.00 WAT +ATOM 46071 H1 TIP3 13254 39.290 -15.648 23.153 1.00 0.00 WAT +ATOM 46072 H2 TIP3 13254 38.444 -15.140 24.270 1.00 0.00 WAT +ATOM 46073 OH2 TIP3 13255 39.041 -11.350 28.693 1.00 0.00 WAT +ATOM 46074 H1 TIP3 13255 38.564 -10.735 29.274 1.00 0.00 WAT +ATOM 46075 H2 TIP3 13255 38.349 -11.613 28.064 1.00 0.00 WAT +ATOM 46076 OH2 TIP3 13256 35.893 -14.934 27.771 1.00 0.00 WAT +ATOM 46077 H1 TIP3 13256 35.996 -14.417 28.592 1.00 0.00 WAT +ATOM 46078 H2 TIP3 13256 34.945 -15.155 27.809 1.00 0.00 WAT +ATOM 46079 OH2 TIP3 13257 42.439 -9.296 19.633 1.00 0.00 WAT +ATOM 46080 H1 TIP3 13257 42.983 -8.831 20.292 1.00 0.00 WAT +ATOM 46081 H2 TIP3 13257 42.004 -8.562 19.181 1.00 0.00 WAT +ATOM 46082 OH2 TIP3 13258 37.076 -9.167 29.553 1.00 0.00 WAT +ATOM 46083 H1 TIP3 13258 36.964 -9.223 28.591 1.00 0.00 WAT +ATOM 46084 H2 TIP3 13258 36.216 -9.478 29.899 1.00 0.00 WAT +ATOM 46085 OH2 TIP3 13259 36.786 -15.820 18.287 1.00 0.00 WAT +ATOM 46086 H1 TIP3 13259 36.560 -15.001 17.807 1.00 0.00 WAT +ATOM 46087 H2 TIP3 13259 36.058 -16.395 18.001 1.00 0.00 WAT +ATOM 46088 OH2 TIP3 13260 32.566 -13.112 26.652 1.00 0.00 WAT +ATOM 46089 H1 TIP3 13260 32.088 -13.166 25.803 1.00 0.00 WAT +ATOM 46090 H2 TIP3 13260 32.692 -14.054 26.877 1.00 0.00 WAT +ATOM 46091 OH2 TIP3 13261 32.659 -10.099 23.509 1.00 0.00 WAT +ATOM 46092 H1 TIP3 13261 33.541 -10.466 23.678 1.00 0.00 WAT +ATOM 46093 H2 TIP3 13261 32.522 -9.586 24.321 1.00 0.00 WAT +ATOM 46094 OH2 TIP3 13262 41.685 -10.297 28.141 1.00 0.00 WAT +ATOM 46095 H1 TIP3 13262 41.812 -9.477 28.638 1.00 0.00 WAT +ATOM 46096 H2 TIP3 13262 40.825 -10.629 28.459 1.00 0.00 WAT +ATOM 46097 OH2 TIP3 13263 41.786 -6.514 18.104 1.00 0.00 WAT +ATOM 46098 H1 TIP3 13263 42.066 -6.492 17.177 1.00 0.00 WAT +ATOM 46099 H2 TIP3 13263 42.082 -5.665 18.455 1.00 0.00 WAT +ATOM 46100 OH2 TIP3 13264 35.549 -7.649 19.686 1.00 0.00 WAT +ATOM 46101 H1 TIP3 13264 35.785 -8.010 20.566 1.00 0.00 WAT +ATOM 46102 H2 TIP3 13264 34.679 -8.040 19.539 1.00 0.00 WAT +ATOM 46103 OH2 TIP3 13265 34.771 -11.562 27.886 1.00 0.00 WAT +ATOM 46104 H1 TIP3 13265 35.024 -11.974 28.738 1.00 0.00 WAT +ATOM 46105 H2 TIP3 13265 34.023 -12.115 27.597 1.00 0.00 WAT +ATOM 46106 OH2 TIP3 13266 37.973 -23.017 23.604 1.00 0.00 WAT +ATOM 46107 H1 TIP3 13266 37.113 -23.158 23.169 1.00 0.00 WAT +ATOM 46108 H2 TIP3 13266 37.720 -22.377 24.289 1.00 0.00 WAT +ATOM 46109 OH2 TIP3 13267 42.334 -23.725 27.942 1.00 0.00 WAT +ATOM 46110 H1 TIP3 13267 42.445 -24.447 28.579 1.00 0.00 WAT +ATOM 46111 H2 TIP3 13267 41.421 -23.900 27.629 1.00 0.00 WAT +ATOM 46112 OH2 TIP3 13268 42.272 -20.905 14.651 1.00 0.00 WAT +ATOM 46113 H1 TIP3 13268 41.692 -21.143 15.387 1.00 0.00 WAT +ATOM 46114 H2 TIP3 13268 42.043 -21.595 14.011 1.00 0.00 WAT +ATOM 46115 OH2 TIP3 13269 37.743 -18.306 25.075 1.00 0.00 WAT +ATOM 46116 H1 TIP3 13269 37.237 -18.223 25.903 1.00 0.00 WAT +ATOM 46117 H2 TIP3 13269 37.809 -17.388 24.774 1.00 0.00 WAT +ATOM 46118 OH2 TIP3 13270 42.744 -17.739 19.391 1.00 0.00 WAT +ATOM 46119 H1 TIP3 13270 42.742 -16.792 19.166 1.00 0.00 WAT +ATOM 46120 H2 TIP3 13270 43.627 -17.877 19.764 1.00 0.00 WAT +ATOM 46121 OH2 TIP3 13271 42.472 -17.411 30.185 1.00 0.00 WAT +ATOM 46122 H1 TIP3 13271 41.949 -18.213 30.409 1.00 0.00 WAT +ATOM 46123 H2 TIP3 13271 43.369 -17.785 30.260 1.00 0.00 WAT +ATOM 46124 OH2 TIP3 13272 35.157 -18.114 26.893 1.00 0.00 WAT +ATOM 46125 H1 TIP3 13272 35.423 -17.838 27.779 1.00 0.00 WAT +ATOM 46126 H2 TIP3 13272 34.776 -18.992 27.078 1.00 0.00 WAT +ATOM 46127 OH2 TIP3 13273 38.576 -20.397 13.486 1.00 0.00 WAT +ATOM 46128 H1 TIP3 13273 38.236 -20.849 14.287 1.00 0.00 WAT +ATOM 46129 H2 TIP3 13273 37.832 -20.465 12.877 1.00 0.00 WAT +ATOM 46130 OH2 TIP3 13274 32.180 -20.493 20.510 1.00 0.00 WAT +ATOM 46131 H1 TIP3 13274 32.656 -20.738 21.327 1.00 0.00 WAT +ATOM 46132 H2 TIP3 13274 32.530 -21.095 19.835 1.00 0.00 WAT +ATOM 46133 OH2 TIP3 13275 33.616 -20.205 16.239 1.00 0.00 WAT +ATOM 46134 H1 TIP3 13275 34.115 -19.695 15.573 1.00 0.00 WAT +ATOM 46135 H2 TIP3 13275 32.892 -19.588 16.454 1.00 0.00 WAT +ATOM 46136 OH2 TIP3 13276 43.471 -16.910 26.286 1.00 0.00 WAT +ATOM 46137 H1 TIP3 13276 43.703 -17.598 25.632 1.00 0.00 WAT +ATOM 46138 H2 TIP3 13276 42.747 -17.363 26.746 1.00 0.00 WAT +ATOM 46139 OH2 TIP3 13277 40.477 -20.823 20.983 1.00 0.00 WAT +ATOM 46140 H1 TIP3 13277 39.553 -20.770 21.281 1.00 0.00 WAT +ATOM 46141 H2 TIP3 13277 40.938 -20.611 21.814 1.00 0.00 WAT +ATOM 46142 OH2 TIP3 13278 35.482 -19.113 19.555 1.00 0.00 WAT +ATOM 46143 H1 TIP3 13278 34.586 -18.890 19.238 1.00 0.00 WAT +ATOM 46144 H2 TIP3 13278 35.619 -20.000 19.175 1.00 0.00 WAT +ATOM 46145 OH2 TIP3 13279 38.722 -18.449 17.725 1.00 0.00 WAT +ATOM 46146 H1 TIP3 13279 39.511 -18.996 17.552 1.00 0.00 WAT +ATOM 46147 H2 TIP3 13279 38.275 -18.425 16.851 1.00 0.00 WAT +ATOM 46148 OH2 TIP3 13280 37.323 -17.927 15.265 1.00 0.00 WAT +ATOM 46149 H1 TIP3 13280 36.607 -18.133 14.644 1.00 0.00 WAT +ATOM 46150 H2 TIP3 13280 38.068 -17.733 14.668 1.00 0.00 WAT +ATOM 46151 OH2 TIP3 13281 35.835 -13.074 30.104 1.00 0.00 WAT +ATOM 46152 H1 TIP3 13281 36.508 -12.997 30.814 1.00 0.00 WAT +ATOM 46153 H2 TIP3 13281 35.032 -13.117 30.661 1.00 0.00 WAT +ATOM 46154 OH2 TIP3 13282 41.165 -18.334 22.296 1.00 0.00 WAT +ATOM 46155 H1 TIP3 13282 42.049 -18.473 21.942 1.00 0.00 WAT +ATOM 46156 H2 TIP3 13282 41.367 -18.319 23.245 1.00 0.00 WAT +ATOM 46157 OH2 TIP3 13283 36.836 -21.682 18.965 1.00 0.00 WAT +ATOM 46158 H1 TIP3 13283 36.203 -22.396 19.177 1.00 0.00 WAT +ATOM 46159 H2 TIP3 13283 37.621 -22.189 18.712 1.00 0.00 WAT +ATOM 46160 OH2 TIP3 13284 40.474 -19.742 25.112 1.00 0.00 WAT +ATOM 46161 H1 TIP3 13284 39.781 -19.074 24.998 1.00 0.00 WAT +ATOM 46162 H2 TIP3 13284 41.036 -19.339 25.798 1.00 0.00 WAT +ATOM 46163 OH2 TIP3 13285 40.691 -13.387 17.035 1.00 0.00 WAT +ATOM 46164 H1 TIP3 13285 39.928 -13.838 16.615 1.00 0.00 WAT +ATOM 46165 H2 TIP3 13285 40.424 -13.355 17.976 1.00 0.00 WAT +ATOM 46166 OH2 TIP3 13286 41.879 -13.391 28.177 1.00 0.00 WAT +ATOM 46167 H1 TIP3 13286 41.901 -13.530 29.129 1.00 0.00 WAT +ATOM 46168 H2 TIP3 13286 42.156 -12.465 28.080 1.00 0.00 WAT +ATOM 46169 OH2 TIP3 13287 35.964 -13.946 22.526 1.00 0.00 WAT +ATOM 46170 H1 TIP3 13287 36.849 -14.098 22.186 1.00 0.00 WAT +ATOM 46171 H2 TIP3 13287 35.878 -14.696 23.139 1.00 0.00 WAT +ATOM 46172 OH2 TIP3 13288 42.861 -11.975 15.978 1.00 0.00 WAT +ATOM 46173 H1 TIP3 13288 42.603 -11.071 16.250 1.00 0.00 WAT +ATOM 46174 H2 TIP3 13288 42.092 -12.485 16.302 1.00 0.00 WAT +ATOM 46175 OH2 TIP3 13289 33.054 -15.579 28.040 1.00 0.00 WAT +ATOM 46176 H1 TIP3 13289 33.191 -15.997 28.916 1.00 0.00 WAT +ATOM 46177 H2 TIP3 13289 32.424 -16.188 27.620 1.00 0.00 WAT +ATOM 46178 OH2 TIP3 13290 40.018 -16.075 30.054 1.00 0.00 WAT +ATOM 46179 H1 TIP3 13290 39.716 -16.384 29.187 1.00 0.00 WAT +ATOM 46180 H2 TIP3 13290 40.964 -16.318 30.019 1.00 0.00 WAT +ATOM 46181 OH2 TIP3 13291 38.132 -10.614 20.009 1.00 0.00 WAT +ATOM 46182 H1 TIP3 13291 38.655 -9.796 19.960 1.00 0.00 WAT +ATOM 46183 H2 TIP3 13291 37.260 -10.279 19.783 1.00 0.00 WAT +ATOM 46184 OH2 TIP3 13292 34.217 -15.829 14.583 1.00 0.00 WAT +ATOM 46185 H1 TIP3 13292 34.749 -15.099 14.934 1.00 0.00 WAT +ATOM 46186 H2 TIP3 13292 33.313 -15.573 14.850 1.00 0.00 WAT +ATOM 46187 OH2 TIP3 13293 39.623 -13.181 19.684 1.00 0.00 WAT +ATOM 46188 H1 TIP3 13293 39.766 -12.228 19.802 1.00 0.00 WAT +ATOM 46189 H2 TIP3 13293 38.787 -13.285 20.142 1.00 0.00 WAT +ATOM 46190 OH2 TIP3 13294 40.197 -8.585 26.036 1.00 0.00 WAT +ATOM 46191 H1 TIP3 13294 40.807 -7.877 25.735 1.00 0.00 WAT +ATOM 46192 H2 TIP3 13294 40.802 -9.121 26.577 1.00 0.00 WAT +ATOM 46193 OH2 TIP3 13295 38.566 -7.669 19.274 1.00 0.00 WAT +ATOM 46194 H1 TIP3 13295 37.614 -7.506 19.324 1.00 0.00 WAT +ATOM 46195 H2 TIP3 13295 38.938 -6.797 19.510 1.00 0.00 WAT +ATOM 46196 OH2 TIP3 13296 34.355 -20.929 27.625 1.00 0.00 WAT +ATOM 46197 H1 TIP3 13296 33.425 -20.683 27.445 1.00 0.00 WAT +ATOM 46198 H2 TIP3 13296 34.244 -21.770 28.109 1.00 0.00 WAT +ATOM 46199 OH2 TIP3 13297 34.145 -9.193 26.056 1.00 0.00 WAT +ATOM 46200 H1 TIP3 13297 34.420 -10.095 26.282 1.00 0.00 WAT +ATOM 46201 H2 TIP3 13297 34.310 -8.754 26.901 1.00 0.00 WAT +ATOM 46202 OH2 TIP3 13298 39.921 -10.466 13.086 1.00 0.00 WAT +ATOM 46203 H1 TIP3 13298 40.306 -11.209 12.583 1.00 0.00 WAT +ATOM 46204 H2 TIP3 13298 39.588 -10.929 13.872 1.00 0.00 WAT +ATOM 46205 OH2 TIP3 13299 38.838 -11.065 15.851 1.00 0.00 WAT +ATOM 46206 H1 TIP3 13299 39.389 -11.529 16.494 1.00 0.00 WAT +ATOM 46207 H2 TIP3 13299 38.980 -10.128 16.101 1.00 0.00 WAT +ATOM 46208 OH2 TIP3 13300 35.669 -13.609 16.271 1.00 0.00 WAT +ATOM 46209 H1 TIP3 13300 34.905 -13.212 16.705 1.00 0.00 WAT +ATOM 46210 H2 TIP3 13300 36.091 -12.834 15.862 1.00 0.00 WAT +ATOM 46211 OH2 TIP3 13301 43.412 -20.629 26.701 1.00 0.00 WAT +ATOM 46212 H1 TIP3 13301 43.780 -21.402 27.130 1.00 0.00 WAT +ATOM 46213 H2 TIP3 13301 42.748 -21.019 26.113 1.00 0.00 WAT +ATOM 46214 OH2 TIP3 13302 41.654 -9.404 16.350 1.00 0.00 WAT +ATOM 46215 H1 TIP3 13302 40.890 -8.848 16.579 1.00 0.00 WAT +ATOM 46216 H2 TIP3 13302 42.125 -8.835 15.731 1.00 0.00 WAT +ATOM 46217 OH2 TIP3 13303 41.269 -19.778 18.413 1.00 0.00 WAT +ATOM 46218 H1 TIP3 13303 41.930 -19.083 18.638 1.00 0.00 WAT +ATOM 46219 H2 TIP3 13303 41.039 -20.043 19.325 1.00 0.00 WAT +ATOM 46220 OH2 TIP3 13304 41.693 -18.738 27.594 1.00 0.00 WAT +ATOM 46221 H1 TIP3 13304 41.817 -18.285 28.441 1.00 0.00 WAT +ATOM 46222 H2 TIP3 13304 42.369 -19.441 27.623 1.00 0.00 WAT +ATOM 46223 OH2 TIP3 13305 41.927 -22.681 19.558 1.00 0.00 WAT +ATOM 46224 H1 TIP3 13305 41.663 -21.932 20.140 1.00 0.00 WAT +ATOM 46225 H2 TIP3 13305 42.746 -22.339 19.159 1.00 0.00 WAT +ATOM 46226 OH2 TIP3 13306 38.900 -8.321 16.417 1.00 0.00 WAT +ATOM 46227 H1 TIP3 13306 38.907 -7.510 15.867 1.00 0.00 WAT +ATOM 46228 H2 TIP3 13306 38.831 -7.954 17.317 1.00 0.00 WAT +ATOM 46229 OH2 TIP3 13307 37.726 -21.535 15.845 1.00 0.00 WAT +ATOM 46230 H1 TIP3 13307 37.571 -20.913 16.567 1.00 0.00 WAT +ATOM 46231 H2 TIP3 13307 38.500 -22.040 16.159 1.00 0.00 WAT +ATOM 46232 OH2 TIP3 13308 36.083 -10.791 14.992 1.00 0.00 WAT +ATOM 46233 H1 TIP3 13308 36.822 -10.268 15.347 1.00 0.00 WAT +ATOM 46234 H2 TIP3 13308 36.548 -11.241 14.268 1.00 0.00 WAT +ATOM 46235 OH2 TIP3 13309 34.309 -18.506 13.998 1.00 0.00 WAT +ATOM 46236 H1 TIP3 13309 34.331 -17.540 14.179 1.00 0.00 WAT +ATOM 46237 H2 TIP3 13309 33.413 -18.610 13.649 1.00 0.00 WAT +ATOM 46238 OH2 TIP3 13310 35.191 -23.545 22.857 1.00 0.00 WAT +ATOM 46239 H1 TIP3 13310 34.962 -23.581 21.908 1.00 0.00 WAT +ATOM 46240 H2 TIP3 13310 34.837 -24.394 23.191 1.00 0.00 WAT +ATOM 46241 OH2 TIP3 13311 33.457 -7.116 30.268 1.00 0.00 WAT +ATOM 46242 H1 TIP3 13311 34.044 -7.382 31.002 1.00 0.00 WAT +ATOM 46243 H2 TIP3 13311 33.064 -7.976 30.022 1.00 0.00 WAT +ATOM 46244 OH2 TIP3 13312 38.205 -7.968 31.970 1.00 0.00 WAT +ATOM 46245 H1 TIP3 13312 38.756 -8.672 32.343 1.00 0.00 WAT +ATOM 46246 H2 TIP3 13312 37.894 -8.386 31.148 1.00 0.00 WAT +ATOM 46247 OH2 TIP3 13313 42.300 -8.820 13.416 1.00 0.00 WAT +ATOM 46248 H1 TIP3 13313 41.480 -9.356 13.409 1.00 0.00 WAT +ATOM 46249 H2 TIP3 13313 42.950 -9.525 13.256 1.00 0.00 WAT +ATOM 46250 OH2 TIP3 13314 33.424 -13.495 31.392 1.00 0.00 WAT +ATOM 46251 H1 TIP3 13314 33.503 -14.411 31.080 1.00 0.00 WAT +ATOM 46252 H2 TIP3 13314 32.641 -13.193 30.895 1.00 0.00 WAT +ATOM 46253 OH2 TIP3 13315 37.560 -13.112 13.352 1.00 0.00 WAT +ATOM 46254 H1 TIP3 13315 37.767 -13.680 14.108 1.00 0.00 WAT +ATOM 46255 H2 TIP3 13315 38.431 -13.059 12.912 1.00 0.00 WAT +ATOM 46256 OH2 TIP3 13316 40.078 -13.287 30.732 1.00 0.00 WAT +ATOM 46257 H1 TIP3 13316 39.815 -12.980 29.848 1.00 0.00 WAT +ATOM 46258 H2 TIP3 13316 40.171 -14.252 30.605 1.00 0.00 WAT +ATOM 46259 OH2 TIP3 13317 42.562 -11.742 12.986 1.00 0.00 WAT +ATOM 46260 H1 TIP3 13317 42.812 -11.622 13.919 1.00 0.00 WAT +ATOM 46261 H2 TIP3 13317 42.488 -12.708 12.935 1.00 0.00 WAT +ATOM 46262 OH2 TIP3 13318 34.313 -16.338 30.555 1.00 0.00 WAT +ATOM 46263 H1 TIP3 13318 35.024 -17.002 30.588 1.00 0.00 WAT +ATOM 46264 H2 TIP3 13318 34.221 -16.142 31.502 1.00 0.00 WAT +ATOM 46265 OH2 TIP3 13319 38.698 -15.031 15.813 1.00 0.00 WAT +ATOM 46266 H1 TIP3 13319 38.044 -15.584 16.257 1.00 0.00 WAT +ATOM 46267 H2 TIP3 13319 39.041 -15.651 15.138 1.00 0.00 WAT +ATOM 46268 OH2 TIP3 13320 37.934 -17.227 27.964 1.00 0.00 WAT +ATOM 46269 H1 TIP3 13320 37.430 -16.455 28.271 1.00 0.00 WAT +ATOM 46270 H2 TIP3 13320 38.572 -16.825 27.353 1.00 0.00 WAT +ATOM 46271 OH2 TIP3 13321 39.771 -16.933 14.018 1.00 0.00 WAT +ATOM 46272 H1 TIP3 13321 39.727 -16.961 13.048 1.00 0.00 WAT +ATOM 46273 H2 TIP3 13321 40.732 -16.890 14.168 1.00 0.00 WAT +ATOM 46274 OH2 TIP3 13322 42.807 -14.760 31.646 1.00 0.00 WAT +ATOM 46275 H1 TIP3 13322 43.576 -15.091 31.174 1.00 0.00 WAT +ATOM 46276 H2 TIP3 13322 42.666 -15.490 32.277 1.00 0.00 WAT +ATOM 46277 OH2 TIP3 13323 38.600 -19.910 29.170 1.00 0.00 WAT +ATOM 46278 H1 TIP3 13323 38.606 -20.587 28.471 1.00 0.00 WAT +ATOM 46279 H2 TIP3 13323 38.359 -19.113 28.669 1.00 0.00 WAT +ATOM 46280 OH2 TIP3 13324 38.872 -21.487 26.582 1.00 0.00 WAT +ATOM 46281 H1 TIP3 13324 39.363 -20.908 25.962 1.00 0.00 WAT +ATOM 46282 H2 TIP3 13324 37.951 -21.437 26.252 1.00 0.00 WAT +ATOM 46283 OH2 TIP3 13325 40.587 -16.095 26.859 1.00 0.00 WAT +ATOM 46284 H1 TIP3 13325 41.380 -16.093 26.307 1.00 0.00 WAT +ATOM 46285 H2 TIP3 13325 40.325 -15.164 26.811 1.00 0.00 WAT +ATOM 46286 OH2 TIP3 13326 36.740 -18.104 30.928 1.00 0.00 WAT +ATOM 46287 H1 TIP3 13326 36.176 -18.900 30.940 1.00 0.00 WAT +ATOM 46288 H2 TIP3 13326 37.547 -18.443 30.513 1.00 0.00 WAT +ATOM 46289 OH2 TIP3 13327 39.723 -24.094 26.943 1.00 0.00 WAT +ATOM 46290 H1 TIP3 13327 39.471 -23.159 26.783 1.00 0.00 WAT +ATOM 46291 H2 TIP3 13327 39.041 -24.560 26.422 1.00 0.00 WAT +ATOM 46292 OH2 TIP3 13328 41.025 -19.654 30.696 1.00 0.00 WAT +ATOM 46293 H1 TIP3 13328 40.653 -19.886 31.561 1.00 0.00 WAT +ATOM 46294 H2 TIP3 13328 40.265 -19.870 30.121 1.00 0.00 WAT +ATOM 46295 OH2 TIP3 13329 35.395 -20.649 30.751 1.00 0.00 WAT +ATOM 46296 H1 TIP3 13329 35.289 -21.370 30.104 1.00 0.00 WAT +ATOM 46297 H2 TIP3 13329 35.116 -21.089 31.574 1.00 0.00 WAT +ATOM 46298 OH2 TIP3 13330 39.446 -24.644 29.786 1.00 0.00 WAT +ATOM 46299 H1 TIP3 13330 40.059 -25.390 29.816 1.00 0.00 WAT +ATOM 46300 H2 TIP3 13330 39.403 -24.473 28.826 1.00 0.00 WAT +ATOM 46301 OH2 TIP3 13331 40.363 -22.832 31.718 1.00 0.00 WAT +ATOM 46302 H1 TIP3 13331 40.052 -23.379 30.969 1.00 0.00 WAT +ATOM 46303 H2 TIP3 13331 39.728 -22.096 31.710 1.00 0.00 WAT +ATOM 46304 OH2 TIP3 13332 39.559 -5.789 15.120 1.00 0.00 WAT +ATOM 46305 H1 TIP3 13332 40.517 -5.698 15.204 1.00 0.00 WAT +ATOM 46306 H2 TIP3 13332 39.408 -5.284 14.307 1.00 0.00 WAT +ATOM 46307 OH2 TIP3 13333 33.360 -11.461 14.763 1.00 0.00 WAT +ATOM 46308 H1 TIP3 13333 34.299 -11.186 14.718 1.00 0.00 WAT +ATOM 46309 H2 TIP3 13333 33.308 -12.119 14.042 1.00 0.00 WAT +ATOM 46310 OH2 TIP3 13334 32.294 -6.221 19.265 1.00 0.00 WAT +ATOM 46311 H1 TIP3 13334 31.431 -6.427 18.875 1.00 0.00 WAT +ATOM 46312 H2 TIP3 13334 32.309 -6.789 20.053 1.00 0.00 WAT +ATOM 46313 OH2 TIP3 13335 32.688 -8.361 21.224 1.00 0.00 WAT +ATOM 46314 H1 TIP3 13335 32.474 -9.119 21.805 1.00 0.00 WAT +ATOM 46315 H2 TIP3 13335 33.073 -7.791 21.910 1.00 0.00 WAT +ATOM 46316 OH2 TIP3 13336 32.865 -14.741 23.754 1.00 0.00 WAT +ATOM 46317 H1 TIP3 13336 33.097 -14.766 22.811 1.00 0.00 WAT +ATOM 46318 H2 TIP3 13336 33.717 -14.990 24.165 1.00 0.00 WAT +ATOM 46319 OH2 TIP3 13337 32.388 -19.830 30.281 1.00 0.00 WAT +ATOM 46320 H1 TIP3 13337 33.323 -20.078 30.247 1.00 0.00 WAT +ATOM 46321 H2 TIP3 13337 31.956 -20.702 30.382 1.00 0.00 WAT +ATOM 46322 OH2 TIP3 13338 33.515 -21.100 22.913 1.00 0.00 WAT +ATOM 46323 H1 TIP3 13338 33.922 -21.968 23.081 1.00 0.00 WAT +ATOM 46324 H2 TIP3 13338 34.150 -20.510 23.358 1.00 0.00 WAT +ATOM 46325 OH2 TIP3 13339 32.058 -18.438 23.987 1.00 0.00 WAT +ATOM 46326 H1 TIP3 13339 32.616 -18.419 23.197 1.00 0.00 WAT +ATOM 46327 H2 TIP3 13339 32.382 -17.676 24.484 1.00 0.00 WAT +ATOM 46328 OH2 TIP3 13340 32.510 -22.064 18.091 1.00 0.00 WAT +ATOM 46329 H1 TIP3 13340 31.562 -22.052 17.866 1.00 0.00 WAT +ATOM 46330 H2 TIP3 13340 32.905 -21.481 17.416 1.00 0.00 WAT +ATOM 46331 OH2 TIP3 13341 32.315 -23.251 26.414 1.00 0.00 WAT +ATOM 46332 H1 TIP3 13341 31.704 -23.601 27.080 1.00 0.00 WAT +ATOM 46333 H2 TIP3 13341 31.715 -22.800 25.797 1.00 0.00 WAT +ATOM 46334 OH2 TIP3 13342 34.563 -10.086 30.858 1.00 0.00 WAT +ATOM 46335 H1 TIP3 13342 33.775 -10.110 30.297 1.00 0.00 WAT +ATOM 46336 H2 TIP3 13342 34.192 -10.180 31.748 1.00 0.00 WAT +ATOM 46337 OH2 TIP3 13343 37.410 -9.166 26.524 1.00 0.00 WAT +ATOM 46338 H1 TIP3 13343 37.103 -8.291 26.231 1.00 0.00 WAT +ATOM 46339 H2 TIP3 13343 38.374 -9.048 26.402 1.00 0.00 WAT +ATOM 46340 OH2 TIP3 13344 42.192 -7.474 29.478 1.00 0.00 WAT +ATOM 46341 H1 TIP3 13344 42.037 -7.853 30.357 1.00 0.00 WAT +ATOM 46342 H2 TIP3 13344 43.146 -7.282 29.545 1.00 0.00 WAT +ATOM 46343 OH2 TIP3 13345 34.769 -6.155 26.878 1.00 0.00 WAT +ATOM 46344 H1 TIP3 13345 34.148 -5.510 26.496 1.00 0.00 WAT +ATOM 46345 H2 TIP3 13345 34.486 -6.154 27.801 1.00 0.00 WAT +ATOM 46346 OH2 TIP3 13346 37.263 -6.417 25.447 1.00 0.00 WAT +ATOM 46347 H1 TIP3 13346 36.427 -6.207 25.907 1.00 0.00 WAT +ATOM 46348 H2 TIP3 13346 37.340 -5.686 24.806 1.00 0.00 WAT +ATOM 46349 OH2 TIP3 13347 41.946 -6.616 25.016 1.00 0.00 WAT +ATOM 46350 H1 TIP3 13347 41.797 -6.101 24.210 1.00 0.00 WAT +ATOM 46351 H2 TIP3 13347 42.594 -6.085 25.493 1.00 0.00 WAT +ATOM 46352 OH2 TIP3 13348 34.356 -7.365 23.836 1.00 0.00 WAT +ATOM 46353 H1 TIP3 13348 34.323 -7.834 24.699 1.00 0.00 WAT +ATOM 46354 H2 TIP3 13348 35.136 -7.797 23.440 1.00 0.00 WAT +ATOM 46355 OH2 TIP3 13349 36.355 -8.657 22.249 1.00 0.00 WAT +ATOM 46356 H1 TIP3 13349 36.231 -9.569 22.589 1.00 0.00 WAT +ATOM 46357 H2 TIP3 13349 37.252 -8.448 22.585 1.00 0.00 WAT +ATOM 46358 OH2 TIP3 13350 39.082 -8.150 23.179 1.00 0.00 WAT +ATOM 46359 H1 TIP3 13350 39.343 -9.064 22.980 1.00 0.00 WAT +ATOM 46360 H2 TIP3 13350 39.213 -8.137 24.142 1.00 0.00 WAT +ATOM 46361 OH2 TIP3 13351 42.654 -22.577 22.478 1.00 0.00 WAT +ATOM 46362 H1 TIP3 13351 41.824 -23.063 22.634 1.00 0.00 WAT +ATOM 46363 H2 TIP3 13351 42.991 -23.022 21.696 1.00 0.00 WAT +ATOM 46364 OH2 TIP3 13352 34.820 -23.546 20.003 1.00 0.00 WAT +ATOM 46365 H1 TIP3 13352 33.944 -23.694 19.594 1.00 0.00 WAT +ATOM 46366 H2 TIP3 13352 35.215 -24.434 19.904 1.00 0.00 WAT +ATOM 46367 OH2 TIP3 13353 33.655 -24.071 15.936 1.00 0.00 WAT +ATOM 46368 H1 TIP3 13353 34.115 -23.401 15.400 1.00 0.00 WAT +ATOM 46369 H2 TIP3 13353 33.197 -23.532 16.599 1.00 0.00 WAT +ATOM 46370 OH2 TIP3 13354 39.297 -23.674 19.921 1.00 0.00 WAT +ATOM 46371 H1 TIP3 13354 40.242 -23.444 19.827 1.00 0.00 WAT +ATOM 46372 H2 TIP3 13354 39.252 -23.834 20.872 1.00 0.00 WAT +ATOM 46373 OH2 TIP3 13355 33.334 -8.417 17.291 1.00 0.00 WAT +ATOM 46374 H1 TIP3 13355 33.042 -8.320 16.365 1.00 0.00 WAT +ATOM 46375 H2 TIP3 13355 33.742 -7.541 17.402 1.00 0.00 WAT +ATOM 46376 OH2 TIP3 13356 35.359 -22.210 14.332 1.00 0.00 WAT +ATOM 46377 H1 TIP3 13356 35.935 -22.825 13.844 1.00 0.00 WAT +ATOM 46378 H2 TIP3 13356 35.957 -21.910 15.041 1.00 0.00 WAT +ATOM 46379 OH2 TIP3 13357 40.619 -22.004 16.929 1.00 0.00 WAT +ATOM 46380 H1 TIP3 13357 40.661 -22.700 17.605 1.00 0.00 WAT +ATOM 46381 H2 TIP3 13357 40.725 -21.197 17.469 1.00 0.00 WAT +ATOM 46382 OH2 TIP3 13358 42.641 -6.485 15.184 1.00 0.00 WAT +ATOM 46383 H1 TIP3 13358 43.511 -6.091 14.992 1.00 0.00 WAT +ATOM 46384 H2 TIP3 13358 42.491 -7.050 14.405 1.00 0.00 WAT +ATOM 46385 OH2 TIP3 13359 34.824 -23.235 29.486 1.00 0.00 WAT +ATOM 46386 H1 TIP3 13359 34.153 -23.850 29.835 1.00 0.00 WAT +ATOM 46387 H2 TIP3 13359 35.620 -23.515 29.969 1.00 0.00 WAT +ATOM 46388 OH2 TIP3 13360 37.018 -23.932 31.335 1.00 0.00 WAT +ATOM 46389 H1 TIP3 13360 37.827 -24.299 30.928 1.00 0.00 WAT +ATOM 46390 H2 TIP3 13360 36.611 -24.730 31.706 1.00 0.00 WAT +ATOM 46391 OH2 TIP3 13361 35.177 -7.243 13.942 1.00 0.00 WAT +ATOM 46392 H1 TIP3 13361 35.051 -6.809 14.798 1.00 0.00 WAT +ATOM 46393 H2 TIP3 13361 36.027 -7.702 14.040 1.00 0.00 WAT +ATOM 46394 OH2 TIP3 13362 -31.617 4.026 20.285 1.00 0.00 WAT +ATOM 46395 H1 TIP3 13362 -31.613 4.990 20.397 1.00 0.00 WAT +ATOM 46396 H2 TIP3 13362 -32.360 3.909 19.675 1.00 0.00 WAT +ATOM 46397 OH2 TIP3 13363 -32.756 3.493 23.374 1.00 0.00 WAT +ATOM 46398 H1 TIP3 13363 -32.754 2.927 24.163 1.00 0.00 WAT +ATOM 46399 H2 TIP3 13363 -33.018 2.863 22.685 1.00 0.00 WAT +ATOM 46400 OH2 TIP3 13364 -40.288 3.078 25.013 1.00 0.00 WAT +ATOM 46401 H1 TIP3 13364 -40.328 2.331 25.639 1.00 0.00 WAT +ATOM 46402 H2 TIP3 13364 -39.589 3.615 25.413 1.00 0.00 WAT +ATOM 46403 OH2 TIP3 13365 -29.048 6.217 21.694 1.00 0.00 WAT +ATOM 46404 H1 TIP3 13365 -29.446 5.513 22.223 1.00 0.00 WAT +ATOM 46405 H2 TIP3 13365 -28.797 6.852 22.377 1.00 0.00 WAT +ATOM 46406 OH2 TIP3 13366 -39.604 7.685 23.509 1.00 0.00 WAT +ATOM 46407 H1 TIP3 13366 -39.868 6.780 23.252 1.00 0.00 WAT +ATOM 46408 H2 TIP3 13366 -38.668 7.544 23.720 1.00 0.00 WAT +ATOM 46409 OH2 TIP3 13367 -41.974 1.670 17.988 1.00 0.00 WAT +ATOM 46410 H1 TIP3 13367 -42.230 2.424 18.546 1.00 0.00 WAT +ATOM 46411 H2 TIP3 13367 -42.828 1.324 17.702 1.00 0.00 WAT +ATOM 46412 OH2 TIP3 13368 -42.049 3.445 20.539 1.00 0.00 WAT +ATOM 46413 H1 TIP3 13368 -41.883 2.820 21.264 1.00 0.00 WAT +ATOM 46414 H2 TIP3 13368 -41.183 3.850 20.414 1.00 0.00 WAT +ATOM 46415 OH2 TIP3 13369 -32.005 11.587 22.279 1.00 0.00 WAT +ATOM 46416 H1 TIP3 13369 -31.423 10.891 21.919 1.00 0.00 WAT +ATOM 46417 H2 TIP3 13369 -32.264 11.204 23.125 1.00 0.00 WAT +ATOM 46418 OH2 TIP3 13370 -34.258 6.000 23.930 1.00 0.00 WAT +ATOM 46419 H1 TIP3 13370 -33.934 5.277 23.362 1.00 0.00 WAT +ATOM 46420 H2 TIP3 13370 -33.445 6.150 24.452 1.00 0.00 WAT +ATOM 46421 OH2 TIP3 13371 -25.639 -2.456 24.582 1.00 0.00 WAT +ATOM 46422 H1 TIP3 13371 -25.316 -1.869 25.286 1.00 0.00 WAT +ATOM 46423 H2 TIP3 13371 -24.999 -2.259 23.871 1.00 0.00 WAT +ATOM 46424 OH2 TIP3 13372 -30.964 0.337 24.425 1.00 0.00 WAT +ATOM 46425 H1 TIP3 13372 -30.839 -0.623 24.510 1.00 0.00 WAT +ATOM 46426 H2 TIP3 13372 -31.051 0.432 23.464 1.00 0.00 WAT +ATOM 46427 OH2 TIP3 13373 -37.979 -1.656 21.524 1.00 0.00 WAT +ATOM 46428 H1 TIP3 13373 -37.852 -0.803 21.065 1.00 0.00 WAT +ATOM 46429 H2 TIP3 13373 -38.343 -2.197 20.797 1.00 0.00 WAT +ATOM 46430 OH2 TIP3 13374 -30.363 -1.620 19.729 1.00 0.00 WAT +ATOM 46431 H1 TIP3 13374 -29.714 -2.056 20.313 1.00 0.00 WAT +ATOM 46432 H2 TIP3 13374 -29.777 -1.196 19.082 1.00 0.00 WAT +ATOM 46433 OH2 TIP3 13375 -41.384 1.090 22.058 1.00 0.00 WAT +ATOM 46434 H1 TIP3 13375 -40.789 0.663 22.699 1.00 0.00 WAT +ATOM 46435 H2 TIP3 13375 -41.206 0.552 21.268 1.00 0.00 WAT +ATOM 46436 OH2 TIP3 13376 -35.924 2.452 21.495 1.00 0.00 WAT +ATOM 46437 H1 TIP3 13376 -35.207 1.908 21.875 1.00 0.00 WAT +ATOM 46438 H2 TIP3 13376 -36.430 1.781 21.001 1.00 0.00 WAT +ATOM 46439 OH2 TIP3 13377 -24.852 -1.085 27.059 1.00 0.00 WAT +ATOM 46440 H1 TIP3 13377 -25.481 -0.394 26.782 1.00 0.00 WAT +ATOM 46441 H2 TIP3 13377 -25.078 -1.164 27.996 1.00 0.00 WAT +ATOM 46442 OH2 TIP3 13378 -39.159 -2.819 25.682 1.00 0.00 WAT +ATOM 46443 H1 TIP3 13378 -39.630 -2.390 24.956 1.00 0.00 WAT +ATOM 46444 H2 TIP3 13378 -39.796 -2.694 26.415 1.00 0.00 WAT +ATOM 46445 OH2 TIP3 13379 -31.709 6.894 19.091 1.00 0.00 WAT +ATOM 46446 H1 TIP3 13379 -32.002 6.658 18.207 1.00 0.00 WAT +ATOM 46447 H2 TIP3 13379 -32.162 7.740 19.250 1.00 0.00 WAT +ATOM 46448 OH2 TIP3 13380 -36.252 5.014 25.799 1.00 0.00 WAT +ATOM 46449 H1 TIP3 13380 -36.983 5.612 26.061 1.00 0.00 WAT +ATOM 46450 H2 TIP3 13380 -35.629 5.624 25.363 1.00 0.00 WAT +ATOM 46451 OH2 TIP3 13381 -28.397 -2.292 21.837 1.00 0.00 WAT +ATOM 46452 H1 TIP3 13381 -28.814 -2.834 22.518 1.00 0.00 WAT +ATOM 46453 H2 TIP3 13381 -27.813 -1.723 22.360 1.00 0.00 WAT +ATOM 46454 OH2 TIP3 13382 -39.584 -0.770 23.592 1.00 0.00 WAT +ATOM 46455 H1 TIP3 13382 -38.923 -0.225 24.069 1.00 0.00 WAT +ATOM 46456 H2 TIP3 13382 -39.006 -1.178 22.909 1.00 0.00 WAT +ATOM 46457 OH2 TIP3 13383 -38.276 6.878 26.524 1.00 0.00 WAT +ATOM 46458 H1 TIP3 13383 -38.305 7.803 26.221 1.00 0.00 WAT +ATOM 46459 H2 TIP3 13383 -39.156 6.805 26.939 1.00 0.00 WAT +ATOM 46460 OH2 TIP3 13384 -41.806 6.542 17.432 1.00 0.00 WAT +ATOM 46461 H1 TIP3 13384 -42.620 6.674 16.903 1.00 0.00 WAT +ATOM 46462 H2 TIP3 13384 -41.958 7.100 18.207 1.00 0.00 WAT +ATOM 46463 OH2 TIP3 13385 -28.486 8.033 24.184 1.00 0.00 WAT +ATOM 46464 H1 TIP3 13385 -29.456 8.134 24.211 1.00 0.00 WAT +ATOM 46465 H2 TIP3 13385 -28.227 8.897 23.814 1.00 0.00 WAT +ATOM 46466 OH2 TIP3 13386 -28.173 -3.169 25.728 1.00 0.00 WAT +ATOM 46467 H1 TIP3 13386 -28.949 -2.752 25.309 1.00 0.00 WAT +ATOM 46468 H2 TIP3 13386 -27.451 -2.913 25.122 1.00 0.00 WAT +ATOM 46469 OH2 TIP3 13387 -35.069 -5.443 22.735 1.00 0.00 WAT +ATOM 46470 H1 TIP3 13387 -35.322 -6.388 22.787 1.00 0.00 WAT +ATOM 46471 H2 TIP3 13387 -35.856 -5.018 23.138 1.00 0.00 WAT +ATOM 46472 OH2 TIP3 13388 -30.202 9.975 20.765 1.00 0.00 WAT +ATOM 46473 H1 TIP3 13388 -29.729 9.182 20.438 1.00 0.00 WAT +ATOM 46474 H2 TIP3 13388 -29.524 10.664 20.634 1.00 0.00 WAT +ATOM 46475 OH2 TIP3 13389 -28.779 7.855 19.388 1.00 0.00 WAT +ATOM 46476 H1 TIP3 13389 -29.233 7.383 18.675 1.00 0.00 WAT +ATOM 46477 H2 TIP3 13389 -28.818 7.192 20.104 1.00 0.00 WAT +ATOM 46478 OH2 TIP3 13390 -27.199 6.661 27.861 1.00 0.00 WAT +ATOM 46479 H1 TIP3 13390 -27.331 6.014 27.144 1.00 0.00 WAT +ATOM 46480 H2 TIP3 13390 -27.105 7.499 27.369 1.00 0.00 WAT +ATOM 46481 OH2 TIP3 13391 -32.911 3.552 17.561 1.00 0.00 WAT +ATOM 46482 H1 TIP3 13391 -33.570 4.153 17.170 1.00 0.00 WAT +ATOM 46483 H2 TIP3 13391 -32.195 3.583 16.904 1.00 0.00 WAT +ATOM 46484 OH2 TIP3 13392 -32.690 1.747 14.627 1.00 0.00 WAT +ATOM 46485 H1 TIP3 13392 -31.984 2.042 15.233 1.00 0.00 WAT +ATOM 46486 H2 TIP3 13392 -32.172 1.207 14.013 1.00 0.00 WAT +ATOM 46487 OH2 TIP3 13393 -25.394 2.895 25.735 1.00 0.00 WAT +ATOM 46488 H1 TIP3 13393 -26.156 3.497 25.852 1.00 0.00 WAT +ATOM 46489 H2 TIP3 13393 -25.031 3.214 24.889 1.00 0.00 WAT +ATOM 46490 OH2 TIP3 13394 -29.404 3.612 18.656 1.00 0.00 WAT +ATOM 46491 H1 TIP3 13394 -30.111 3.796 19.313 1.00 0.00 WAT +ATOM 46492 H2 TIP3 13394 -28.859 2.971 19.143 1.00 0.00 WAT +ATOM 46493 OH2 TIP3 13395 -29.593 2.105 27.471 1.00 0.00 WAT +ATOM 46494 H1 TIP3 13395 -29.556 2.923 27.993 1.00 0.00 WAT +ATOM 46495 H2 TIP3 13395 -30.256 2.380 26.811 1.00 0.00 WAT +ATOM 46496 OH2 TIP3 13396 -37.832 4.346 20.399 1.00 0.00 WAT +ATOM 46497 H1 TIP3 13396 -38.156 3.904 19.590 1.00 0.00 WAT +ATOM 46498 H2 TIP3 13396 -37.188 3.699 20.736 1.00 0.00 WAT +ATOM 46499 OH2 TIP3 13397 -36.476 7.735 23.154 1.00 0.00 WAT +ATOM 46500 H1 TIP3 13397 -36.582 7.360 22.269 1.00 0.00 WAT +ATOM 46501 H2 TIP3 13397 -35.677 7.270 23.471 1.00 0.00 WAT +ATOM 46502 OH2 TIP3 13398 -37.293 3.198 23.871 1.00 0.00 WAT +ATOM 46503 H1 TIP3 13398 -36.686 3.190 23.105 1.00 0.00 WAT +ATOM 46504 H2 TIP3 13398 -36.858 3.819 24.485 1.00 0.00 WAT +ATOM 46505 OH2 TIP3 13399 -31.323 8.666 24.478 1.00 0.00 WAT +ATOM 46506 H1 TIP3 13399 -31.286 9.328 25.190 1.00 0.00 WAT +ATOM 46507 H2 TIP3 13399 -31.543 7.842 24.948 1.00 0.00 WAT +ATOM 46508 OH2 TIP3 13400 -36.412 7.474 28.716 1.00 0.00 WAT +ATOM 46509 H1 TIP3 13400 -36.929 8.117 29.230 1.00 0.00 WAT +ATOM 46510 H2 TIP3 13400 -37.061 7.197 28.043 1.00 0.00 WAT +ATOM 46511 OH2 TIP3 13401 -30.440 2.920 16.105 1.00 0.00 WAT +ATOM 46512 H1 TIP3 13401 -29.934 3.152 16.911 1.00 0.00 WAT +ATOM 46513 H2 TIP3 13401 -29.928 3.418 15.424 1.00 0.00 WAT +ATOM 46514 OH2 TIP3 13402 -39.564 3.849 27.865 1.00 0.00 WAT +ATOM 46515 H1 TIP3 13402 -39.483 4.414 28.653 1.00 0.00 WAT +ATOM 46516 H2 TIP3 13402 -40.532 3.764 27.788 1.00 0.00 WAT +ATOM 46517 OH2 TIP3 13403 -33.042 9.610 19.657 1.00 0.00 WAT +ATOM 46518 H1 TIP3 13403 -32.552 9.900 20.435 1.00 0.00 WAT +ATOM 46519 H2 TIP3 13403 -33.519 10.407 19.385 1.00 0.00 WAT +ATOM 46520 OH2 TIP3 13404 -38.367 9.656 29.574 1.00 0.00 WAT +ATOM 46521 H1 TIP3 13404 -38.432 9.664 28.603 1.00 0.00 WAT +ATOM 46522 H2 TIP3 13404 -39.276 9.443 29.852 1.00 0.00 WAT +ATOM 46523 OH2 TIP3 13405 -27.078 -4.684 15.213 1.00 0.00 WAT +ATOM 46524 H1 TIP3 13405 -27.376 -5.338 15.849 1.00 0.00 WAT +ATOM 46525 H2 TIP3 13405 -26.109 -4.685 15.336 1.00 0.00 WAT +ATOM 46526 OH2 TIP3 13406 -38.944 3.068 17.948 1.00 0.00 WAT +ATOM 46527 H1 TIP3 13406 -39.164 3.822 17.376 1.00 0.00 WAT +ATOM 46528 H2 TIP3 13406 -39.641 2.434 17.717 1.00 0.00 WAT +ATOM 46529 OH2 TIP3 13407 -25.565 8.820 14.137 1.00 0.00 WAT +ATOM 46530 H1 TIP3 13407 -25.426 9.754 14.389 1.00 0.00 WAT +ATOM 46531 H2 TIP3 13407 -24.667 8.455 14.263 1.00 0.00 WAT +ATOM 46532 OH2 TIP3 13408 -42.705 5.920 26.455 1.00 0.00 WAT +ATOM 46533 H1 TIP3 13408 -42.857 5.544 25.570 1.00 0.00 WAT +ATOM 46534 H2 TIP3 13408 -43.046 5.203 27.018 1.00 0.00 WAT +ATOM 46535 OH2 TIP3 13409 -42.790 8.768 23.399 1.00 0.00 WAT +ATOM 46536 H1 TIP3 13409 -41.999 8.244 23.585 1.00 0.00 WAT +ATOM 46537 H2 TIP3 13409 -42.980 9.154 24.262 1.00 0.00 WAT +ATOM 46538 OH2 TIP3 13410 -24.418 9.249 29.368 1.00 0.00 WAT +ATOM 46539 H1 TIP3 13410 -24.560 8.292 29.239 1.00 0.00 WAT +ATOM 46540 H2 TIP3 13410 -25.321 9.529 29.639 1.00 0.00 WAT +ATOM 46541 OH2 TIP3 13411 -33.784 8.525 28.158 1.00 0.00 WAT +ATOM 46542 H1 TIP3 13411 -33.702 9.336 28.699 1.00 0.00 WAT +ATOM 46543 H2 TIP3 13411 -34.679 8.214 28.401 1.00 0.00 WAT +ATOM 46544 OH2 TIP3 13412 -33.492 12.331 18.145 1.00 0.00 WAT +ATOM 46545 H1 TIP3 13412 -33.478 12.429 17.177 1.00 0.00 WAT +ATOM 46546 H2 TIP3 13412 -33.436 13.248 18.457 1.00 0.00 WAT +ATOM 46547 OH2 TIP3 13413 -39.767 11.461 19.769 1.00 0.00 WAT +ATOM 46548 H1 TIP3 13413 -39.514 11.058 20.623 1.00 0.00 WAT +ATOM 46549 H2 TIP3 13413 -40.507 10.881 19.521 1.00 0.00 WAT +ATOM 46550 OH2 TIP3 13414 -30.197 11.747 15.321 1.00 0.00 WAT +ATOM 46551 H1 TIP3 13414 -29.602 11.102 14.888 1.00 0.00 WAT +ATOM 46552 H2 TIP3 13414 -30.239 11.381 16.228 1.00 0.00 WAT +ATOM 46553 OH2 TIP3 13415 -30.798 11.188 18.126 1.00 0.00 WAT +ATOM 46554 H1 TIP3 13415 -31.753 11.309 18.272 1.00 0.00 WAT +ATOM 46555 H2 TIP3 13415 -30.620 10.463 18.751 1.00 0.00 WAT +ATOM 46556 OH2 TIP3 13416 -27.621 0.665 29.771 1.00 0.00 WAT +ATOM 46557 H1 TIP3 13416 -28.163 1.037 29.061 1.00 0.00 WAT +ATOM 46558 H2 TIP3 13416 -27.589 -0.277 29.516 1.00 0.00 WAT +ATOM 46559 OH2 TIP3 13417 -40.720 7.312 27.949 1.00 0.00 WAT +ATOM 46560 H1 TIP3 13417 -40.412 6.742 28.678 1.00 0.00 WAT +ATOM 46561 H2 TIP3 13417 -41.464 6.804 27.562 1.00 0.00 WAT +ATOM 46562 OH2 TIP3 13418 -37.466 -4.220 23.710 1.00 0.00 WAT +ATOM 46563 H1 TIP3 13418 -38.300 -4.413 23.245 1.00 0.00 WAT +ATOM 46564 H2 TIP3 13418 -37.764 -3.527 24.318 1.00 0.00 WAT +ATOM 46565 OH2 TIP3 13419 -33.121 -4.622 27.352 1.00 0.00 WAT +ATOM 46566 H1 TIP3 13419 -32.620 -5.189 27.969 1.00 0.00 WAT +ATOM 46567 H2 TIP3 13419 -34.032 -4.970 27.426 1.00 0.00 WAT +ATOM 46568 OH2 TIP3 13420 -29.929 -0.846 27.848 1.00 0.00 WAT +ATOM 46569 H1 TIP3 13420 -30.550 -1.025 28.579 1.00 0.00 WAT +ATOM 46570 H2 TIP3 13420 -30.028 0.110 27.703 1.00 0.00 WAT +ATOM 46571 OH2 TIP3 13421 -28.923 4.119 14.073 1.00 0.00 WAT +ATOM 46572 H1 TIP3 13421 -29.087 3.839 13.160 1.00 0.00 WAT +ATOM 46573 H2 TIP3 13421 -27.952 4.250 14.047 1.00 0.00 WAT +ATOM 46574 OH2 TIP3 13422 -37.619 0.567 25.066 1.00 0.00 WAT +ATOM 46575 H1 TIP3 13422 -38.171 0.664 25.859 1.00 0.00 WAT +ATOM 46576 H2 TIP3 13422 -37.566 1.484 24.728 1.00 0.00 WAT +ATOM 46577 OH2 TIP3 13423 -37.699 0.631 19.965 1.00 0.00 WAT +ATOM 46578 H1 TIP3 13423 -38.658 0.571 19.796 1.00 0.00 WAT +ATOM 46579 H2 TIP3 13423 -37.347 0.454 19.075 1.00 0.00 WAT +ATOM 46580 OH2 TIP3 13424 -31.876 1.153 18.622 1.00 0.00 WAT +ATOM 46581 H1 TIP3 13424 -32.283 1.991 18.322 1.00 0.00 WAT +ATOM 46582 H2 TIP3 13424 -31.301 0.935 17.864 1.00 0.00 WAT +ATOM 46583 OH2 TIP3 13425 -32.880 1.409 30.106 1.00 0.00 WAT +ATOM 46584 H1 TIP3 13425 -33.383 0.646 30.457 1.00 0.00 WAT +ATOM 46585 H2 TIP3 13425 -32.003 1.267 30.510 1.00 0.00 WAT +ATOM 46586 OH2 TIP3 13426 -31.192 0.507 21.443 1.00 0.00 WAT +ATOM 46587 H1 TIP3 13426 -31.438 1.095 20.703 1.00 0.00 WAT +ATOM 46588 H2 TIP3 13426 -30.990 -0.304 20.930 1.00 0.00 WAT +ATOM 46589 OH2 TIP3 13427 -40.291 0.745 26.937 1.00 0.00 WAT +ATOM 46590 H1 TIP3 13427 -39.938 1.064 27.777 1.00 0.00 WAT +ATOM 46591 H2 TIP3 13427 -40.520 -0.174 27.159 1.00 0.00 WAT +ATOM 46592 OH2 TIP3 13428 -36.830 -1.656 13.560 1.00 0.00 WAT +ATOM 46593 H1 TIP3 13428 -37.289 -2.082 14.307 1.00 0.00 WAT +ATOM 46594 H2 TIP3 13428 -37.559 -1.495 12.943 1.00 0.00 WAT +ATOM 46595 OH2 TIP3 13429 -43.189 -1.668 20.556 1.00 0.00 WAT +ATOM 46596 H1 TIP3 13429 -43.041 -1.910 21.490 1.00 0.00 WAT +ATOM 46597 H2 TIP3 13429 -42.786 -2.409 20.097 1.00 0.00 WAT +ATOM 46598 OH2 TIP3 13430 -42.106 -1.181 16.448 1.00 0.00 WAT +ATOM 46599 H1 TIP3 13430 -41.508 -0.950 15.709 1.00 0.00 WAT +ATOM 46600 H2 TIP3 13430 -42.952 -0.894 16.086 1.00 0.00 WAT +ATOM 46601 OH2 TIP3 13431 -32.099 2.273 25.992 1.00 0.00 WAT +ATOM 46602 H1 TIP3 13431 -31.670 1.551 25.477 1.00 0.00 WAT +ATOM 46603 H2 TIP3 13431 -32.454 1.781 26.747 1.00 0.00 WAT +ATOM 46604 OH2 TIP3 13432 -34.919 -1.785 20.957 1.00 0.00 WAT +ATOM 46605 H1 TIP3 13432 -35.854 -1.824 21.222 1.00 0.00 WAT +ATOM 46606 H2 TIP3 13432 -34.472 -1.979 21.799 1.00 0.00 WAT +ATOM 46607 OH2 TIP3 13433 -40.390 -0.508 19.637 1.00 0.00 WAT +ATOM 46608 H1 TIP3 13433 -41.130 -0.346 19.035 1.00 0.00 WAT +ATOM 46609 H2 TIP3 13433 -40.030 -1.345 19.288 1.00 0.00 WAT +ATOM 46610 OH2 TIP3 13434 -36.667 -0.292 17.288 1.00 0.00 WAT +ATOM 46611 H1 TIP3 13434 -35.728 -0.071 17.425 1.00 0.00 WAT +ATOM 46612 H2 TIP3 13434 -36.969 0.371 16.641 1.00 0.00 WAT +ATOM 46613 OH2 TIP3 13435 -30.529 -2.660 24.008 1.00 0.00 WAT +ATOM 46614 H1 TIP3 13435 -31.155 -2.648 24.766 1.00 0.00 WAT +ATOM 46615 H2 TIP3 13435 -31.132 -2.950 23.303 1.00 0.00 WAT +ATOM 46616 OH2 TIP3 13436 -38.237 1.056 15.142 1.00 0.00 WAT +ATOM 46617 H1 TIP3 13436 -38.846 0.736 14.458 1.00 0.00 WAT +ATOM 46618 H2 TIP3 13436 -37.439 1.237 14.615 1.00 0.00 WAT +ATOM 46619 OH2 TIP3 13437 -27.514 13.133 30.672 1.00 0.00 WAT +ATOM 46620 H1 TIP3 13437 -27.280 13.605 29.856 1.00 0.00 WAT +ATOM 46621 H2 TIP3 13437 -26.850 13.474 31.295 1.00 0.00 WAT +ATOM 46622 OH2 TIP3 13438 -39.516 5.782 30.094 1.00 0.00 WAT +ATOM 46623 H1 TIP3 13438 -38.895 5.795 30.855 1.00 0.00 WAT +ATOM 46624 H2 TIP3 13438 -40.365 5.862 30.580 1.00 0.00 WAT +ATOM 46625 OH2 TIP3 13439 -33.857 0.766 22.797 1.00 0.00 WAT +ATOM 46626 H1 TIP3 13439 -33.126 0.308 22.353 1.00 0.00 WAT +ATOM 46627 H2 TIP3 13439 -34.043 0.169 23.551 1.00 0.00 WAT +ATOM 46628 OH2 TIP3 13440 -38.748 -2.859 19.077 1.00 0.00 WAT +ATOM 46629 H1 TIP3 13440 -39.209 -3.708 19.136 1.00 0.00 WAT +ATOM 46630 H2 TIP3 13440 -37.949 -3.101 18.591 1.00 0.00 WAT +ATOM 46631 OH2 TIP3 13441 -34.882 -0.733 25.023 1.00 0.00 WAT +ATOM 46632 H1 TIP3 13441 -35.690 -0.198 25.085 1.00 0.00 WAT +ATOM 46633 H2 TIP3 13441 -34.413 -0.526 25.856 1.00 0.00 WAT +ATOM 46634 OH2 TIP3 13442 -34.777 5.621 16.959 1.00 0.00 WAT +ATOM 46635 H1 TIP3 13442 -35.530 5.100 16.611 1.00 0.00 WAT +ATOM 46636 H2 TIP3 13442 -34.964 5.648 17.925 1.00 0.00 WAT +ATOM 46637 OH2 TIP3 13443 -27.541 4.765 25.694 1.00 0.00 WAT +ATOM 46638 H1 TIP3 13443 -27.062 5.315 25.039 1.00 0.00 WAT +ATOM 46639 H2 TIP3 13443 -28.405 4.647 25.252 1.00 0.00 WAT +ATOM 46640 OH2 TIP3 13444 -33.125 5.635 28.277 1.00 0.00 WAT +ATOM 46641 H1 TIP3 13444 -33.415 5.291 29.134 1.00 0.00 WAT +ATOM 46642 H2 TIP3 13444 -33.442 6.551 28.298 1.00 0.00 WAT +ATOM 46643 OH2 TIP3 13445 -30.204 -0.102 16.508 1.00 0.00 WAT +ATOM 46644 H1 TIP3 13445 -29.327 -0.278 16.887 1.00 0.00 WAT +ATOM 46645 H2 TIP3 13445 -30.035 0.677 15.958 1.00 0.00 WAT +ATOM 46646 OH2 TIP3 13446 -39.770 4.928 22.656 1.00 0.00 WAT +ATOM 46647 H1 TIP3 13446 -39.080 4.848 21.973 1.00 0.00 WAT +ATOM 46648 H2 TIP3 13446 -39.614 4.128 23.186 1.00 0.00 WAT +ATOM 46649 OH2 TIP3 13447 -32.390 6.986 15.873 1.00 0.00 WAT +ATOM 46650 H1 TIP3 13447 -32.643 7.838 16.283 1.00 0.00 WAT +ATOM 46651 H2 TIP3 13447 -33.124 6.416 16.163 1.00 0.00 WAT +ATOM 46652 OH2 TIP3 13448 -42.409 3.464 28.320 1.00 0.00 WAT +ATOM 46653 H1 TIP3 13448 -42.294 2.812 29.033 1.00 0.00 WAT +ATOM 46654 H2 TIP3 13448 -42.885 2.938 27.637 1.00 0.00 WAT +ATOM 46655 OH2 TIP3 13449 -35.402 2.802 30.026 1.00 0.00 WAT +ATOM 46656 H1 TIP3 13449 -35.744 2.526 29.159 1.00 0.00 WAT +ATOM 46657 H2 TIP3 13449 -34.476 2.501 29.958 1.00 0.00 WAT +ATOM 46658 OH2 TIP3 13450 -30.866 8.241 27.748 1.00 0.00 WAT +ATOM 46659 H1 TIP3 13450 -31.835 8.295 27.695 1.00 0.00 WAT +ATOM 46660 H2 TIP3 13450 -30.705 8.467 28.679 1.00 0.00 WAT +ATOM 46661 OH2 TIP3 13451 -25.404 0.302 16.635 1.00 0.00 WAT +ATOM 46662 H1 TIP3 13451 -25.817 0.002 15.812 1.00 0.00 WAT +ATOM 46663 H2 TIP3 13451 -25.244 1.240 16.406 1.00 0.00 WAT +ATOM 46664 OH2 TIP3 13452 -24.870 6.336 29.307 1.00 0.00 WAT +ATOM 46665 H1 TIP3 13452 -25.816 6.532 29.133 1.00 0.00 WAT +ATOM 46666 H2 TIP3 13452 -24.557 6.131 28.405 1.00 0.00 WAT +ATOM 46667 OH2 TIP3 13453 -27.198 8.842 16.563 1.00 0.00 WAT +ATOM 46668 H1 TIP3 13453 -27.330 8.084 17.153 1.00 0.00 WAT +ATOM 46669 H2 TIP3 13453 -26.535 8.508 15.943 1.00 0.00 WAT +ATOM 46670 OH2 TIP3 13454 -29.885 4.208 24.000 1.00 0.00 WAT +ATOM 46671 H1 TIP3 13454 -30.822 4.057 23.772 1.00 0.00 WAT +ATOM 46672 H2 TIP3 13454 -29.461 3.481 23.504 1.00 0.00 WAT +ATOM 46673 OH2 TIP3 13455 -37.276 8.303 20.072 1.00 0.00 WAT +ATOM 46674 H1 TIP3 13455 -36.839 9.158 19.928 1.00 0.00 WAT +ATOM 46675 H2 TIP3 13455 -38.180 8.495 19.797 1.00 0.00 WAT +ATOM 46676 OH2 TIP3 13456 -41.542 3.245 14.757 1.00 0.00 WAT +ATOM 46677 H1 TIP3 13456 -40.814 3.782 15.129 1.00 0.00 WAT +ATOM 46678 H2 TIP3 13456 -42.289 3.843 14.886 1.00 0.00 WAT +ATOM 46679 OH2 TIP3 13457 -35.430 5.983 19.661 1.00 0.00 WAT +ATOM 46680 H1 TIP3 13457 -35.726 6.893 19.817 1.00 0.00 WAT +ATOM 46681 H2 TIP3 13457 -36.138 5.476 20.087 1.00 0.00 WAT +ATOM 46682 OH2 TIP3 13458 -35.261 10.257 26.032 1.00 0.00 WAT +ATOM 46683 H1 TIP3 13458 -34.674 10.965 25.712 1.00 0.00 WAT +ATOM 46684 H2 TIP3 13458 -34.649 9.737 26.580 1.00 0.00 WAT +ATOM 46685 OH2 TIP3 13459 -36.810 11.191 19.274 1.00 0.00 WAT +ATOM 46686 H1 TIP3 13459 -37.762 11.359 19.324 1.00 0.00 WAT +ATOM 46687 H2 TIP3 13459 -36.446 12.074 19.492 1.00 0.00 WAT +ATOM 46688 OH2 TIP3 13460 -31.849 5.996 25.590 1.00 0.00 WAT +ATOM 46689 H1 TIP3 13460 -32.146 5.713 26.474 1.00 0.00 WAT +ATOM 46690 H2 TIP3 13460 -31.121 5.377 25.418 1.00 0.00 WAT +ATOM 46691 OH2 TIP3 13461 -29.711 7.297 14.530 1.00 0.00 WAT +ATOM 46692 H1 TIP3 13461 -29.267 6.848 15.273 1.00 0.00 WAT +ATOM 46693 H2 TIP3 13461 -30.634 7.128 14.786 1.00 0.00 WAT +ATOM 46694 OH2 TIP3 13462 -28.907 10.560 27.969 1.00 0.00 WAT +ATOM 46695 H1 TIP3 13462 -29.669 10.104 27.563 1.00 0.00 WAT +ATOM 46696 H2 TIP3 13462 -28.819 11.358 27.418 1.00 0.00 WAT +ATOM 46697 OH2 TIP3 13463 -24.994 11.545 15.055 1.00 0.00 WAT +ATOM 46698 H1 TIP3 13463 -24.253 12.116 14.793 1.00 0.00 WAT +ATOM 46699 H2 TIP3 13463 -25.720 12.192 15.016 1.00 0.00 WAT +ATOM 46700 OH2 TIP3 13464 -41.002 -1.990 27.671 1.00 0.00 WAT +ATOM 46701 H1 TIP3 13464 -41.882 -1.606 27.506 1.00 0.00 WAT +ATOM 46702 H2 TIP3 13464 -41.196 -2.827 28.134 1.00 0.00 WAT +ATOM 46703 OH2 TIP3 13465 -28.691 5.929 16.921 1.00 0.00 WAT +ATOM 46704 H1 TIP3 13465 -28.950 5.173 17.477 1.00 0.00 WAT +ATOM 46705 H2 TIP3 13465 -27.719 5.896 16.982 1.00 0.00 WAT +ATOM 46706 OH2 TIP3 13466 -41.287 9.731 26.130 1.00 0.00 WAT +ATOM 46707 H1 TIP3 13466 -41.101 8.784 26.190 1.00 0.00 WAT +ATOM 46708 H2 TIP3 13466 -40.939 10.023 26.980 1.00 0.00 WAT +ATOM 46709 OH2 TIP3 13467 -35.442 8.349 13.094 1.00 0.00 WAT +ATOM 46710 H1 TIP3 13467 -35.170 7.570 12.574 1.00 0.00 WAT +ATOM 46711 H2 TIP3 13467 -35.874 7.926 13.854 1.00 0.00 WAT +ATOM 46712 OH2 TIP3 13468 -36.634 7.854 15.824 1.00 0.00 WAT +ATOM 46713 H1 TIP3 13468 -36.093 7.324 16.428 1.00 0.00 WAT +ATOM 46714 H2 TIP3 13468 -36.460 8.767 16.132 1.00 0.00 WAT +ATOM 46715 OH2 TIP3 13469 -39.858 5.269 16.133 1.00 0.00 WAT +ATOM 46716 H1 TIP3 13469 -40.552 5.683 16.698 1.00 0.00 WAT +ATOM 46717 H2 TIP3 13469 -39.357 6.065 15.893 1.00 0.00 WAT +ATOM 46718 OH2 TIP3 13470 -32.092 -2.240 26.204 1.00 0.00 WAT +ATOM 46719 H1 TIP3 13470 -31.498 -1.987 26.924 1.00 0.00 WAT +ATOM 46720 H2 TIP3 13470 -32.596 -2.982 26.597 1.00 0.00 WAT +ATOM 46721 OH2 TIP3 13471 -33.661 9.490 16.427 1.00 0.00 WAT +ATOM 46722 H1 TIP3 13471 -34.478 9.986 16.597 1.00 0.00 WAT +ATOM 46723 H2 TIP3 13471 -33.291 9.967 15.673 1.00 0.00 WAT +ATOM 46724 OH2 TIP3 13472 -33.981 -0.743 18.421 1.00 0.00 WAT +ATOM 46725 H1 TIP3 13472 -33.191 -0.181 18.568 1.00 0.00 WAT +ATOM 46726 H2 TIP3 13472 -34.273 -0.924 19.335 1.00 0.00 WAT +ATOM 46727 OH2 TIP3 13473 -33.652 0.129 27.569 1.00 0.00 WAT +ATOM 46728 H1 TIP3 13473 -33.624 0.633 28.400 1.00 0.00 WAT +ATOM 46729 H2 TIP3 13473 -33.156 -0.665 27.812 1.00 0.00 WAT +ATOM 46730 OH2 TIP3 13474 -33.091 -3.634 19.243 1.00 0.00 WAT +ATOM 46731 H1 TIP3 13474 -33.526 -3.109 19.937 1.00 0.00 WAT +ATOM 46732 H2 TIP3 13474 -32.388 -3.015 18.989 1.00 0.00 WAT +ATOM 46733 OH2 TIP3 13475 -36.462 10.563 16.424 1.00 0.00 WAT +ATOM 46734 H1 TIP3 13475 -36.523 11.372 15.874 1.00 0.00 WAT +ATOM 46735 H2 TIP3 13475 -36.570 10.921 17.324 1.00 0.00 WAT +ATOM 46736 OH2 TIP3 13476 -37.757 -2.781 15.963 1.00 0.00 WAT +ATOM 46737 H1 TIP3 13476 -37.626 -1.964 16.479 1.00 0.00 WAT +ATOM 46738 H2 TIP3 13476 -36.934 -3.271 16.120 1.00 0.00 WAT +ATOM 46739 OH2 TIP3 13477 -27.399 -1.859 28.453 1.00 0.00 WAT +ATOM 46740 H1 TIP3 13477 -28.361 -1.738 28.317 1.00 0.00 WAT +ATOM 46741 H2 TIP3 13477 -27.157 -2.116 27.552 1.00 0.00 WAT +ATOM 46742 OH2 TIP3 13478 -28.903 1.965 22.447 1.00 0.00 WAT +ATOM 46743 H1 TIP3 13478 -29.708 1.491 22.169 1.00 0.00 WAT +ATOM 46744 H2 TIP3 13478 -28.411 1.259 22.921 1.00 0.00 WAT +ATOM 46745 OH2 TIP3 13479 -39.314 8.124 14.973 1.00 0.00 WAT +ATOM 46746 H1 TIP3 13479 -38.537 8.549 15.373 1.00 0.00 WAT +ATOM 46747 H2 TIP3 13479 -38.868 7.573 14.313 1.00 0.00 WAT +ATOM 46748 OH2 TIP3 13480 -41.174 0.257 14.184 1.00 0.00 WAT +ATOM 46749 H1 TIP3 13480 -41.106 1.216 14.308 1.00 0.00 WAT +ATOM 46750 H2 TIP3 13480 -41.872 0.147 13.525 1.00 0.00 WAT +ATOM 46751 OH2 TIP3 13481 -27.875 10.818 23.875 1.00 0.00 WAT +ATOM 46752 H1 TIP3 13481 -28.053 11.629 23.361 1.00 0.00 WAT +ATOM 46753 H2 TIP3 13481 -26.947 10.970 24.119 1.00 0.00 WAT +ATOM 46754 OH2 TIP3 13482 -40.283 -4.735 22.834 1.00 0.00 WAT +ATOM 46755 H1 TIP3 13482 -40.607 -4.795 21.918 1.00 0.00 WAT +ATOM 46756 H2 TIP3 13482 -40.652 -5.547 23.237 1.00 0.00 WAT +ATOM 46757 OH2 TIP3 13483 -41.352 9.042 19.185 1.00 0.00 WAT +ATOM 46758 H1 TIP3 13483 -42.250 9.319 18.986 1.00 0.00 WAT +ATOM 46759 H2 TIP3 13483 -40.917 9.205 18.338 1.00 0.00 WAT +ATOM 46760 OH2 TIP3 13484 -42.132 11.673 30.316 1.00 0.00 WAT +ATOM 46761 H1 TIP3 13484 -41.506 11.686 31.062 1.00 0.00 WAT +ATOM 46762 H2 TIP3 13484 -42.148 10.706 30.192 1.00 0.00 WAT +ATOM 46763 OH2 TIP3 13485 -37.226 10.843 32.028 1.00 0.00 WAT +ATOM 46764 H1 TIP3 13485 -36.575 10.171 32.286 1.00 0.00 WAT +ATOM 46765 H2 TIP3 13485 -37.499 10.513 31.157 1.00 0.00 WAT +ATOM 46766 OH2 TIP3 13486 -33.233 10.044 13.562 1.00 0.00 WAT +ATOM 46767 H1 TIP3 13486 -34.016 9.455 13.492 1.00 0.00 WAT +ATOM 46768 H2 TIP3 13486 -32.549 9.433 13.253 1.00 0.00 WAT +ATOM 46769 OH2 TIP3 13487 -30.801 9.060 30.644 1.00 0.00 WAT +ATOM 46770 H1 TIP3 13487 -31.182 8.249 31.026 1.00 0.00 WAT +ATOM 46771 H2 TIP3 13487 -30.109 9.286 31.293 1.00 0.00 WAT +ATOM 46772 OH2 TIP3 13488 -28.594 9.958 13.712 1.00 0.00 WAT +ATOM 46773 H1 TIP3 13488 -28.424 9.161 14.245 1.00 0.00 WAT +ATOM 46774 H2 TIP3 13488 -27.793 9.994 13.162 1.00 0.00 WAT +ATOM 46775 OH2 TIP3 13489 -41.989 5.724 30.945 1.00 0.00 WAT +ATOM 46776 H1 TIP3 13489 -41.883 4.807 30.647 1.00 0.00 WAT +ATOM 46777 H2 TIP3 13489 -42.875 5.945 30.626 1.00 0.00 WAT +ATOM 46778 OH2 TIP3 13490 -37.809 5.786 13.432 1.00 0.00 WAT +ATOM 46779 H1 TIP3 13490 -37.617 5.187 14.173 1.00 0.00 WAT +ATOM 46780 H2 TIP3 13490 -36.965 5.745 12.942 1.00 0.00 WAT +ATOM 46781 OH2 TIP3 13491 -35.394 5.558 30.745 1.00 0.00 WAT +ATOM 46782 H1 TIP3 13491 -35.688 5.870 29.874 1.00 0.00 WAT +ATOM 46783 H2 TIP3 13491 -35.302 4.592 30.606 1.00 0.00 WAT +ATOM 46784 OH2 TIP3 13492 -32.539 7.146 13.029 1.00 0.00 WAT +ATOM 46785 H1 TIP3 13492 -32.594 7.071 14.000 1.00 0.00 WAT +ATOM 46786 H2 TIP3 13492 -32.583 6.194 12.795 1.00 0.00 WAT +ATOM 46787 OH2 TIP3 13493 -30.014 5.168 28.128 1.00 0.00 WAT +ATOM 46788 H1 TIP3 13493 -29.240 5.723 27.950 1.00 0.00 WAT +ATOM 46789 H2 TIP3 13493 -30.726 5.827 28.122 1.00 0.00 WAT +ATOM 46790 OH2 TIP3 13494 -41.342 2.456 30.719 1.00 0.00 WAT +ATOM 46791 H1 TIP3 13494 -40.565 1.875 30.601 1.00 0.00 WAT +ATOM 46792 H2 TIP3 13494 -41.243 2.691 31.654 1.00 0.00 WAT +ATOM 46793 OH2 TIP3 13495 -36.735 3.871 15.757 1.00 0.00 WAT +ATOM 46794 H1 TIP3 13495 -37.334 3.346 16.309 1.00 0.00 WAT +ATOM 46795 H2 TIP3 13495 -36.423 3.195 15.122 1.00 0.00 WAT +ATOM 46796 OH2 TIP3 13496 -37.517 1.624 27.978 1.00 0.00 WAT +ATOM 46797 H1 TIP3 13496 -38.033 2.418 28.202 1.00 0.00 WAT +ATOM 46798 H2 TIP3 13496 -36.833 1.989 27.386 1.00 0.00 WAT +ATOM 46799 OH2 TIP3 13497 -35.758 1.879 14.009 1.00 0.00 WAT +ATOM 46800 H1 TIP3 13497 -35.801 1.969 13.038 1.00 0.00 WAT +ATOM 46801 H2 TIP3 13497 -34.793 1.871 14.156 1.00 0.00 WAT +ATOM 46802 OH2 TIP3 13498 -32.193 4.339 31.560 1.00 0.00 WAT +ATOM 46803 H1 TIP3 13498 -31.288 4.143 31.275 1.00 0.00 WAT +ATOM 46804 H2 TIP3 13498 -32.450 3.500 31.969 1.00 0.00 WAT +ATOM 46805 OH2 TIP3 13499 -26.312 4.422 13.309 1.00 0.00 WAT +ATOM 46806 H1 TIP3 13499 -26.291 3.938 12.465 1.00 0.00 WAT +ATOM 46807 H2 TIP3 13499 -25.921 5.265 13.051 1.00 0.00 WAT +ATOM 46808 OH2 TIP3 13500 -36.921 -1.078 29.163 1.00 0.00 WAT +ATOM 46809 H1 TIP3 13500 -36.842 -1.746 28.454 1.00 0.00 WAT +ATOM 46810 H2 TIP3 13500 -37.114 -0.276 28.649 1.00 0.00 WAT +ATOM 46811 OH2 TIP3 13501 -36.592 -2.568 26.633 1.00 0.00 WAT +ATOM 46812 H1 TIP3 13501 -36.063 -2.115 25.952 1.00 0.00 WAT +ATOM 46813 H2 TIP3 13501 -37.494 -2.574 26.247 1.00 0.00 WAT +ATOM 46814 OH2 TIP3 13502 -35.026 2.838 27.003 1.00 0.00 WAT +ATOM 46815 H1 TIP3 13502 -34.186 2.743 26.530 1.00 0.00 WAT +ATOM 46816 H2 TIP3 13502 -35.321 3.716 26.692 1.00 0.00 WAT +ATOM 46817 OH2 TIP3 13503 -30.441 0.766 31.768 1.00 0.00 WAT +ATOM 46818 H1 TIP3 13503 -30.243 -0.167 31.944 1.00 0.00 WAT +ATOM 46819 H2 TIP3 13503 -29.551 1.150 31.749 1.00 0.00 WAT +ATOM 46820 OH2 TIP3 13504 -29.467 3.566 30.274 1.00 0.00 WAT +ATOM 46821 H1 TIP3 13504 -29.817 4.172 29.589 1.00 0.00 WAT +ATOM 46822 H2 TIP3 13504 -28.585 3.384 29.898 1.00 0.00 WAT +ATOM 46823 OH2 TIP3 13505 -38.800 0.837 30.867 1.00 0.00 WAT +ATOM 46824 H1 TIP3 13505 -39.309 0.010 30.943 1.00 0.00 WAT +ATOM 46825 H2 TIP3 13505 -37.963 0.521 30.495 1.00 0.00 WAT +ATOM 46826 OH2 TIP3 13506 -35.806 -5.261 26.885 1.00 0.00 WAT +ATOM 46827 H1 TIP3 13506 -36.103 -4.336 26.764 1.00 0.00 WAT +ATOM 46828 H2 TIP3 13506 -36.523 -5.780 26.484 1.00 0.00 WAT +ATOM 46829 OH2 TIP3 13507 -34.595 -0.688 30.743 1.00 0.00 WAT +ATOM 46830 H1 TIP3 13507 -34.920 -0.940 31.625 1.00 0.00 WAT +ATOM 46831 H2 TIP3 13507 -35.386 -0.909 30.209 1.00 0.00 WAT +ATOM 46832 OH2 TIP3 13508 -32.038 -1.657 29.601 1.00 0.00 WAT +ATOM 46833 H1 TIP3 13508 -32.923 -1.633 30.009 1.00 0.00 WAT +ATOM 46834 H2 TIP3 13508 -31.577 -2.297 30.177 1.00 0.00 WAT +ATOM 46835 OH2 TIP3 13509 -30.190 -3.174 31.330 1.00 0.00 WAT +ATOM 46836 H1 TIP3 13509 -30.355 -4.127 31.480 1.00 0.00 WAT +ATOM 46837 H2 TIP3 13509 -30.385 -2.775 32.198 1.00 0.00 WAT +ATOM 46838 OH2 TIP3 13510 -40.179 -1.741 30.760 1.00 0.00 WAT +ATOM 46839 H1 TIP3 13510 -40.161 -2.493 30.145 1.00 0.00 WAT +ATOM 46840 H2 TIP3 13510 -40.300 -2.196 31.617 1.00 0.00 WAT +ATOM 46841 OH2 TIP3 13511 -35.948 -5.774 29.771 1.00 0.00 WAT +ATOM 46842 H1 TIP3 13511 -35.419 -6.591 29.824 1.00 0.00 WAT +ATOM 46843 H2 TIP3 13511 -36.038 -5.702 28.804 1.00 0.00 WAT +ATOM 46844 OH2 TIP3 13512 -35.041 -3.896 31.621 1.00 0.00 WAT +ATOM 46845 H1 TIP3 13512 -35.286 -4.523 30.906 1.00 0.00 WAT +ATOM 46846 H2 TIP3 13512 -35.790 -3.287 31.626 1.00 0.00 WAT +ATOM 46847 OH2 TIP3 13513 -35.998 13.112 15.108 1.00 0.00 WAT +ATOM 46848 H1 TIP3 13513 -35.044 13.232 15.220 1.00 0.00 WAT +ATOM 46849 H2 TIP3 13513 -36.136 13.559 14.263 1.00 0.00 WAT +ATOM 46850 OH2 TIP3 13514 -41.993 8.006 14.214 1.00 0.00 WAT +ATOM 46851 H1 TIP3 13514 -41.189 7.934 14.763 1.00 0.00 WAT +ATOM 46852 H2 TIP3 13514 -42.155 7.088 13.949 1.00 0.00 WAT +ATOM 46853 OH2 TIP3 13515 -42.992 10.867 21.459 1.00 0.00 WAT +ATOM 46854 H1 TIP3 13515 -42.815 9.962 21.788 1.00 0.00 WAT +ATOM 46855 H2 TIP3 13515 -42.420 11.355 22.078 1.00 0.00 WAT +ATOM 46856 OH2 TIP3 13516 -25.164 11.975 24.378 1.00 0.00 WAT +ATOM 46857 H1 TIP3 13516 -24.998 11.981 25.333 1.00 0.00 WAT +ATOM 46858 H2 TIP3 13516 -24.317 12.292 24.033 1.00 0.00 WAT +ATOM 46859 OH2 TIP3 13517 -25.258 11.438 27.240 1.00 0.00 WAT +ATOM 46860 H1 TIP3 13517 -25.775 10.685 26.898 1.00 0.00 WAT +ATOM 46861 H2 TIP3 13517 -24.706 10.986 27.896 1.00 0.00 WAT +ATOM 46862 OH2 TIP3 13518 -27.251 6.860 31.535 1.00 0.00 WAT +ATOM 46863 H1 TIP3 13518 -28.136 6.931 31.934 1.00 0.00 WAT +ATOM 46864 H2 TIP3 13518 -26.806 7.663 31.858 1.00 0.00 WAT +ATOM 46865 OH2 TIP3 13519 -25.858 5.919 17.338 1.00 0.00 WAT +ATOM 46866 H1 TIP3 13519 -24.907 6.164 17.407 1.00 0.00 WAT +ATOM 46867 H2 TIP3 13519 -25.874 5.125 17.881 1.00 0.00 WAT +ATOM 46868 OH2 TIP3 13520 -24.982 3.673 19.823 1.00 0.00 WAT +ATOM 46869 H1 TIP3 13520 -25.863 3.360 19.540 1.00 0.00 WAT +ATOM 46870 H2 TIP3 13520 -25.023 3.397 20.741 1.00 0.00 WAT +ATOM 46871 OH2 TIP3 13521 -25.606 6.170 24.257 1.00 0.00 WAT +ATOM 46872 H1 TIP3 13521 -25.014 5.728 23.631 1.00 0.00 WAT +ATOM 46873 H2 TIP3 13521 -25.562 7.094 23.954 1.00 0.00 WAT +ATOM 46874 OH2 TIP3 13522 -26.958 9.133 26.472 1.00 0.00 WAT +ATOM 46875 H1 TIP3 13522 -27.681 9.547 26.977 1.00 0.00 WAT +ATOM 46876 H2 TIP3 13522 -27.430 8.786 25.690 1.00 0.00 WAT +ATOM 46877 OH2 TIP3 13523 -25.365 3.176 16.024 1.00 0.00 WAT +ATOM 46878 H1 TIP3 13523 -25.548 3.317 15.081 1.00 0.00 WAT +ATOM 46879 H2 TIP3 13523 -24.914 4.001 16.239 1.00 0.00 WAT +ATOM 46880 OH2 TIP3 13524 -26.982 0.843 13.976 1.00 0.00 WAT +ATOM 46881 H1 TIP3 13524 -26.448 1.263 13.281 1.00 0.00 WAT +ATOM 46882 H2 TIP3 13524 -27.040 -0.075 13.662 1.00 0.00 WAT +ATOM 46883 OH2 TIP3 13525 -27.347 1.909 20.056 1.00 0.00 WAT +ATOM 46884 H1 TIP3 13525 -27.463 0.977 19.799 1.00 0.00 WAT +ATOM 46885 H2 TIP3 13525 -27.814 1.948 20.912 1.00 0.00 WAT +ATOM 46886 OH2 TIP3 13526 -42.544 4.387 24.063 1.00 0.00 WAT +ATOM 46887 H1 TIP3 13526 -42.243 4.554 23.159 1.00 0.00 WAT +ATOM 46888 H2 TIP3 13526 -41.751 3.948 24.444 1.00 0.00 WAT +ATOM 46889 OH2 TIP3 13527 -26.859 3.778 29.169 1.00 0.00 WAT +ATOM 46890 H1 TIP3 13527 -26.136 3.159 29.387 1.00 0.00 WAT +ATOM 46891 H2 TIP3 13527 -26.396 4.616 29.050 1.00 0.00 WAT +ATOM 46892 OH2 TIP3 13528 -25.296 1.894 30.398 1.00 0.00 WAT +ATOM 46893 H1 TIP3 13528 -26.095 1.359 30.196 1.00 0.00 WAT +ATOM 46894 H2 TIP3 13528 -24.603 1.207 30.397 1.00 0.00 WAT +ATOM 46895 OH2 TIP3 13529 -27.394 -2.029 13.598 1.00 0.00 WAT +ATOM 46896 H1 TIP3 13529 -26.690 -2.595 13.955 1.00 0.00 WAT +ATOM 46897 H2 TIP3 13529 -28.056 -2.692 13.410 1.00 0.00 WAT +ATOM 46898 OH2 TIP3 13530 -27.754 -0.565 18.197 1.00 0.00 WAT +ATOM 46899 H1 TIP3 13530 -27.445 -1.493 18.294 1.00 0.00 WAT +ATOM 46900 H2 TIP3 13530 -26.970 -0.174 17.768 1.00 0.00 WAT +ATOM 46901 OH2 TIP3 13531 -27.372 0.002 23.668 1.00 0.00 WAT +ATOM 46902 H1 TIP3 13531 -26.397 0.009 23.641 1.00 0.00 WAT +ATOM 46903 H2 TIP3 13531 -27.515 -0.015 24.629 1.00 0.00 WAT +ATOM 46904 OH2 TIP3 13532 -27.187 0.666 26.493 1.00 0.00 WAT +ATOM 46905 H1 TIP3 13532 -28.051 1.028 26.768 1.00 0.00 WAT +ATOM 46906 H2 TIP3 13532 -26.689 1.474 26.283 1.00 0.00 WAT +ATOM 46907 OH2 TIP3 13533 -42.853 -0.698 30.100 1.00 0.00 WAT +ATOM 46908 H1 TIP3 13533 -41.958 -1.076 30.148 1.00 0.00 WAT +ATOM 46909 H2 TIP3 13533 -43.426 -1.449 30.316 1.00 0.00 WAT +ATOM 46910 OH2 TIP3 13534 -24.641 -5.185 31.792 1.00 0.00 WAT +ATOM 46911 H1 TIP3 13534 -24.223 -5.879 31.247 1.00 0.00 WAT +ATOM 46912 H2 TIP3 13534 -24.609 -4.412 31.197 1.00 0.00 WAT +ATOM 46913 OH2 TIP3 13535 -27.130 -3.328 18.267 1.00 0.00 WAT +ATOM 46914 H1 TIP3 13535 -27.010 -3.727 19.145 1.00 0.00 WAT +ATOM 46915 H2 TIP3 13535 -27.853 -3.860 17.888 1.00 0.00 WAT +ATOM 46916 OH2 TIP3 13536 -41.943 -2.126 23.218 1.00 0.00 WAT +ATOM 46917 H1 TIP3 13536 -41.614 -3.037 23.273 1.00 0.00 WAT +ATOM 46918 H2 TIP3 13536 -41.146 -1.610 23.439 1.00 0.00 WAT +ATOM 46919 OH2 TIP3 13537 -43.323 0.474 24.119 1.00 0.00 WAT +ATOM 46920 H1 TIP3 13537 -42.940 -0.097 23.437 1.00 0.00 WAT +ATOM 46921 H2 TIP3 13537 -43.036 1.344 23.825 1.00 0.00 WAT +ATOM 46922 OH2 TIP3 13538 -25.258 -3.134 30.023 1.00 0.00 WAT +ATOM 46923 H1 TIP3 13538 -26.143 -2.731 30.090 1.00 0.00 WAT +ATOM 46924 H2 TIP3 13538 -25.387 -3.694 29.236 1.00 0.00 WAT +ATOM 46925 OH2 TIP3 13539 -43.148 -3.411 17.626 1.00 0.00 WAT +ATOM 46926 H1 TIP3 13539 -43.991 -3.110 17.257 1.00 0.00 WAT +ATOM 46927 H2 TIP3 13539 -42.555 -2.694 17.306 1.00 0.00 WAT +ATOM 46928 OH2 TIP3 13540 -28.278 12.051 20.180 1.00 0.00 WAT +ATOM 46929 H1 TIP3 13540 -27.821 11.798 19.358 1.00 0.00 WAT +ATOM 46930 H2 TIP3 13540 -27.551 12.412 20.701 1.00 0.00 WAT +ATOM 46931 OH2 TIP3 13541 -42.936 -4.416 25.980 1.00 0.00 WAT +ATOM 46932 H1 TIP3 13541 -43.596 -4.532 26.706 1.00 0.00 WAT +ATOM 46933 H2 TIP3 13541 -43.427 -3.973 25.275 1.00 0.00 WAT +ATOM 46934 OH2 TIP3 13542 -41.208 9.102 30.675 1.00 0.00 WAT +ATOM 46935 H1 TIP3 13542 -41.679 8.436 30.163 1.00 0.00 WAT +ATOM 46936 H2 TIP3 13542 -41.333 8.753 31.589 1.00 0.00 WAT +ATOM 46937 OH2 TIP3 13543 -38.023 9.740 26.589 1.00 0.00 WAT +ATOM 46938 H1 TIP3 13543 -38.308 10.593 26.216 1.00 0.00 WAT +ATOM 46939 H2 TIP3 13543 -37.062 9.807 26.415 1.00 0.00 WAT +ATOM 46940 OH2 TIP3 13544 -33.529 11.061 29.590 1.00 0.00 WAT +ATOM 46941 H1 TIP3 13544 -33.378 10.860 30.529 1.00 0.00 WAT +ATOM 46942 H2 TIP3 13544 -32.680 11.481 29.343 1.00 0.00 WAT +ATOM 46943 OH2 TIP3 13545 -31.226 12.491 28.820 1.00 0.00 WAT +ATOM 46944 H1 TIP3 13545 -30.535 11.846 28.605 1.00 0.00 WAT +ATOM 46945 H2 TIP3 13545 -30.921 12.806 29.694 1.00 0.00 WAT +ATOM 46946 OH2 TIP3 13546 -26.442 -4.910 28.011 1.00 0.00 WAT +ATOM 46947 H1 TIP3 13546 -27.217 -4.682 27.472 1.00 0.00 WAT +ATOM 46948 H2 TIP3 13546 -26.224 -5.805 27.672 1.00 0.00 WAT +ATOM 46949 OH2 TIP3 13547 -40.659 12.878 26.796 1.00 0.00 WAT +ATOM 46950 H1 TIP3 13547 -41.393 13.322 26.327 1.00 0.00 WAT +ATOM 46951 H2 TIP3 13547 -41.023 12.803 27.684 1.00 0.00 WAT +ATOM 46952 OH2 TIP3 13548 -38.120 12.467 25.537 1.00 0.00 WAT +ATOM 46953 H1 TIP3 13548 -39.006 12.662 25.906 1.00 0.00 WAT +ATOM 46954 H2 TIP3 13548 -38.063 13.095 24.792 1.00 0.00 WAT +ATOM 46955 OH2 TIP3 13549 -33.487 12.458 25.057 1.00 0.00 WAT +ATOM 46956 H1 TIP3 13549 -33.811 12.904 24.254 1.00 0.00 WAT +ATOM 46957 H2 TIP3 13549 -33.308 13.216 25.646 1.00 0.00 WAT +ATOM 46958 OH2 TIP3 13550 -31.091 11.177 25.930 1.00 0.00 WAT +ATOM 46959 H1 TIP3 13550 -31.939 11.539 25.616 1.00 0.00 WAT +ATOM 46960 H2 TIP3 13550 -30.521 11.959 25.915 1.00 0.00 WAT +ATOM 46961 OH2 TIP3 13551 -28.558 12.902 26.118 1.00 0.00 WAT +ATOM 46962 H1 TIP3 13551 -28.587 13.856 25.908 1.00 0.00 WAT +ATOM 46963 H2 TIP3 13551 -28.265 12.542 25.263 1.00 0.00 WAT +ATOM 46964 OH2 TIP3 13552 -41.241 11.532 23.787 1.00 0.00 WAT +ATOM 46965 H1 TIP3 13552 -41.335 11.073 24.646 1.00 0.00 WAT +ATOM 46966 H2 TIP3 13552 -40.473 11.061 23.413 1.00 0.00 WAT +ATOM 46967 OH2 TIP3 13553 -39.112 10.280 22.327 1.00 0.00 WAT +ATOM 46968 H1 TIP3 13553 -39.256 9.348 22.592 1.00 0.00 WAT +ATOM 46969 H2 TIP3 13553 -38.193 10.428 22.625 1.00 0.00 WAT +ATOM 46970 OH2 TIP3 13554 -36.320 10.696 23.177 1.00 0.00 WAT +ATOM 46971 H1 TIP3 13554 -36.126 9.770 22.943 1.00 0.00 WAT +ATOM 46972 H2 TIP3 13554 -36.234 10.655 24.142 1.00 0.00 WAT +ATOM 46973 OH2 TIP3 13555 -32.974 -3.405 22.398 1.00 0.00 WAT +ATOM 46974 H1 TIP3 13555 -33.629 -4.086 22.640 1.00 0.00 WAT +ATOM 46975 H2 TIP3 13555 -32.348 -3.906 21.855 1.00 0.00 WAT +ATOM 46976 OH2 TIP3 13556 -28.060 -5.892 22.754 1.00 0.00 WAT +ATOM 46977 H1 TIP3 13556 -27.245 -5.422 22.503 1.00 0.00 WAT +ATOM 46978 H2 TIP3 13556 -28.745 -5.307 22.391 1.00 0.00 WAT +ATOM 46979 OH2 TIP3 13557 -25.945 -4.290 20.872 1.00 0.00 WAT +ATOM 46980 H1 TIP3 13557 -25.273 -4.754 20.333 1.00 0.00 WAT +ATOM 46981 H2 TIP3 13557 -25.604 -3.378 20.887 1.00 0.00 WAT +ATOM 46982 OH2 TIP3 13558 -41.063 -4.834 19.993 1.00 0.00 WAT +ATOM 46983 H1 TIP3 13558 -41.796 -5.134 19.442 1.00 0.00 WAT +ATOM 46984 H2 TIP3 13558 -40.452 -5.589 19.924 1.00 0.00 WAT +ATOM 46985 OH2 TIP3 13559 -41.816 -5.229 15.832 1.00 0.00 WAT +ATOM 46986 H1 TIP3 13559 -41.299 -4.567 15.328 1.00 0.00 WAT +ATOM 46987 H2 TIP3 13559 -42.328 -4.653 16.429 1.00 0.00 WAT +ATOM 46988 OH2 TIP3 13560 -36.129 -4.807 19.876 1.00 0.00 WAT +ATOM 46989 H1 TIP3 13560 -35.185 -4.626 19.785 1.00 0.00 WAT +ATOM 46990 H2 TIP3 13560 -36.204 -4.929 20.831 1.00 0.00 WAT +ATOM 46991 OH2 TIP3 13561 -30.490 -4.910 21.349 1.00 0.00 WAT +ATOM 46992 H1 TIP3 13561 -30.415 -4.913 20.386 1.00 0.00 WAT +ATOM 46993 H2 TIP3 13561 -30.925 -5.761 21.542 1.00 0.00 WAT +ATOM 46994 OH2 TIP3 13562 -29.544 -4.794 17.419 1.00 0.00 WAT +ATOM 46995 H1 TIP3 13562 -30.329 -4.460 16.983 1.00 0.00 WAT +ATOM 46996 H2 TIP3 13562 -29.717 -5.748 17.465 1.00 0.00 WAT +ATOM 46997 OH2 TIP3 13563 -41.996 10.814 16.941 1.00 0.00 WAT +ATOM 46998 H1 TIP3 13563 -42.478 10.607 16.132 1.00 0.00 WAT +ATOM 46999 H2 TIP3 13563 -41.819 11.759 16.826 1.00 0.00 WAT +ATOM 47000 OH2 TIP3 13564 -40.059 -3.370 14.414 1.00 0.00 WAT +ATOM 47001 H1 TIP3 13564 -39.490 -3.913 13.840 1.00 0.00 WAT +ATOM 47002 H2 TIP3 13564 -39.414 -3.068 15.085 1.00 0.00 WAT +ATOM 47003 OH2 TIP3 13565 -34.456 -3.130 16.591 1.00 0.00 WAT +ATOM 47004 H1 TIP3 13565 -34.638 -3.785 17.283 1.00 0.00 WAT +ATOM 47005 H2 TIP3 13565 -34.690 -2.309 17.063 1.00 0.00 WAT +ATOM 47006 OH2 TIP3 13566 -32.947 12.577 15.196 1.00 0.00 WAT +ATOM 47007 H1 TIP3 13566 -31.972 12.583 15.159 1.00 0.00 WAT +ATOM 47008 H2 TIP3 13566 -33.142 11.921 14.507 1.00 0.00 WAT +ATOM 47009 OH2 TIP3 13567 -26.484 11.618 17.786 1.00 0.00 WAT +ATOM 47010 H1 TIP3 13567 -26.667 10.765 17.343 1.00 0.00 WAT +ATOM 47011 H2 TIP3 13567 -26.421 12.209 17.020 1.00 0.00 WAT +ATOM 47012 OH2 TIP3 13568 -40.794 -4.399 29.584 1.00 0.00 WAT +ATOM 47013 H1 TIP3 13568 -41.253 -5.182 29.935 1.00 0.00 WAT +ATOM 47014 H2 TIP3 13568 -39.875 -4.612 29.820 1.00 0.00 WAT +ATOM 47015 OH2 TIP3 13569 -38.406 -5.066 31.317 1.00 0.00 WAT +ATOM 47016 H1 TIP3 13569 -37.599 -5.436 30.905 1.00 0.00 WAT +ATOM 47017 H2 TIP3 13569 -38.773 -5.865 31.739 1.00 0.00 WAT +ATOM 47018 OH2 TIP3 13570 -40.134 11.775 13.852 1.00 0.00 WAT +ATOM 47019 H1 TIP3 13570 -40.366 12.000 14.763 1.00 0.00 WAT +ATOM 47020 H2 TIP3 13570 -39.412 11.134 13.972 1.00 0.00 WAT +ATOM 47021 OH2 TIP3 13571 -30.310 -5.975 31.463 1.00 0.00 WAT +ATOM 47022 H1 TIP3 13571 -30.280 -6.385 32.349 1.00 0.00 WAT +ATOM 47023 H2 TIP3 13571 -29.371 -6.004 31.205 1.00 0.00 WAT +ATOM 47024 OH2 TIP3 13572 -26.910 10.382 30.131 1.00 0.00 WAT +ATOM 47025 H1 TIP3 13572 -27.672 10.178 29.559 1.00 0.00 WAT +ATOM 47026 H2 TIP3 13572 -27.105 11.308 30.369 1.00 0.00 WAT +ATOM 47027 OH2 TIP3 13573 -13.917 3.524 23.166 1.00 0.00 WAT +ATOM 47028 H1 TIP3 13573 -13.939 3.213 24.086 1.00 0.00 WAT +ATOM 47029 H2 TIP3 13573 -14.298 2.728 22.743 1.00 0.00 WAT +ATOM 47030 OH2 TIP3 13574 -21.420 3.112 24.986 1.00 0.00 WAT +ATOM 47031 H1 TIP3 13574 -21.510 2.349 25.589 1.00 0.00 WAT +ATOM 47032 H2 TIP3 13574 -20.734 3.619 25.442 1.00 0.00 WAT +ATOM 47033 OH2 TIP3 13575 -9.945 6.308 21.832 1.00 0.00 WAT +ATOM 47034 H1 TIP3 13575 -10.130 5.547 22.390 1.00 0.00 WAT +ATOM 47035 H2 TIP3 13575 -9.481 6.902 22.433 1.00 0.00 WAT +ATOM 47036 OH2 TIP3 13576 -20.661 7.638 23.603 1.00 0.00 WAT +ATOM 47037 H1 TIP3 13576 -21.004 6.781 23.310 1.00 0.00 WAT +ATOM 47038 H2 TIP3 13576 -19.730 7.446 23.775 1.00 0.00 WAT +ATOM 47039 OH2 TIP3 13577 -23.769 1.287 19.097 1.00 0.00 WAT +ATOM 47040 H1 TIP3 13577 -24.338 2.017 18.807 1.00 0.00 WAT +ATOM 47041 H2 TIP3 13577 -24.223 0.545 18.662 1.00 0.00 WAT +ATOM 47042 OH2 TIP3 13578 -13.143 11.554 22.207 1.00 0.00 WAT +ATOM 47043 H1 TIP3 13578 -12.682 10.795 21.822 1.00 0.00 WAT +ATOM 47044 H2 TIP3 13578 -13.354 11.251 23.098 1.00 0.00 WAT +ATOM 47045 OH2 TIP3 13579 -6.635 -2.646 24.675 1.00 0.00 WAT +ATOM 47046 H1 TIP3 13579 -6.711 -2.001 25.405 1.00 0.00 WAT +ATOM 47047 H2 TIP3 13579 -7.107 -2.253 23.933 1.00 0.00 WAT +ATOM 47048 OH2 TIP3 13580 -12.065 0.282 24.317 1.00 0.00 WAT +ATOM 47049 H1 TIP3 13580 -12.230 -0.657 24.510 1.00 0.00 WAT +ATOM 47050 H2 TIP3 13580 -12.330 0.352 23.391 1.00 0.00 WAT +ATOM 47051 OH2 TIP3 13581 -19.226 -1.642 21.523 1.00 0.00 WAT +ATOM 47052 H1 TIP3 13581 -18.913 -0.879 21.017 1.00 0.00 WAT +ATOM 47053 H2 TIP3 13581 -19.432 -2.259 20.793 1.00 0.00 WAT +ATOM 47054 OH2 TIP3 13582 -22.356 1.570 21.760 1.00 0.00 WAT +ATOM 47055 H1 TIP3 13582 -21.913 1.056 22.458 1.00 0.00 WAT +ATOM 47056 H2 TIP3 13582 -22.516 0.864 21.101 1.00 0.00 WAT +ATOM 47057 OH2 TIP3 13583 -17.126 2.487 21.612 1.00 0.00 WAT +ATOM 47058 H1 TIP3 13583 -16.437 1.869 21.916 1.00 0.00 WAT +ATOM 47059 H2 TIP3 13583 -17.629 1.896 21.012 1.00 0.00 WAT +ATOM 47060 OH2 TIP3 13584 -6.068 -0.998 26.914 1.00 0.00 WAT +ATOM 47061 H1 TIP3 13584 -6.758 -0.313 26.838 1.00 0.00 WAT +ATOM 47062 H2 TIP3 13584 -6.074 -1.147 27.870 1.00 0.00 WAT +ATOM 47063 OH2 TIP3 13585 -20.307 -2.794 25.646 1.00 0.00 WAT +ATOM 47064 H1 TIP3 13585 -20.760 -2.372 24.902 1.00 0.00 WAT +ATOM 47065 H2 TIP3 13585 -20.982 -2.698 26.348 1.00 0.00 WAT +ATOM 47066 OH2 TIP3 13586 -20.775 -0.713 23.560 1.00 0.00 WAT +ATOM 47067 H1 TIP3 13586 -20.056 -0.227 24.007 1.00 0.00 WAT +ATOM 47068 H2 TIP3 13586 -20.262 -1.127 22.825 1.00 0.00 WAT +ATOM 47069 OH2 TIP3 13587 -18.960 6.622 26.367 1.00 0.00 WAT +ATOM 47070 H1 TIP3 13587 -19.255 7.504 26.081 1.00 0.00 WAT +ATOM 47071 H2 TIP3 13587 -19.791 6.276 26.736 1.00 0.00 WAT +ATOM 47072 OH2 TIP3 13588 -23.193 6.495 17.505 1.00 0.00 WAT +ATOM 47073 H1 TIP3 13588 -22.901 6.665 16.591 1.00 0.00 WAT +ATOM 47074 H2 TIP3 13588 -22.800 7.233 17.998 1.00 0.00 WAT +ATOM 47075 OH2 TIP3 13589 -9.677 8.109 24.362 1.00 0.00 WAT +ATOM 47076 H1 TIP3 13589 -10.614 8.275 24.207 1.00 0.00 WAT +ATOM 47077 H2 TIP3 13589 -9.285 8.908 23.962 1.00 0.00 WAT +ATOM 47078 OH2 TIP3 13590 -9.578 -2.995 25.690 1.00 0.00 WAT +ATOM 47079 H1 TIP3 13590 -10.287 -2.449 25.325 1.00 0.00 WAT +ATOM 47080 H2 TIP3 13590 -8.949 -3.049 24.959 1.00 0.00 WAT +ATOM 47081 OH2 TIP3 13591 -16.040 -5.294 22.781 1.00 0.00 WAT +ATOM 47082 H1 TIP3 13591 -16.284 -6.227 22.668 1.00 0.00 WAT +ATOM 47083 H2 TIP3 13591 -16.874 -4.893 23.089 1.00 0.00 WAT +ATOM 47084 OH2 TIP3 13592 -11.262 9.708 20.442 1.00 0.00 WAT +ATOM 47085 H1 TIP3 13592 -10.615 9.019 20.242 1.00 0.00 WAT +ATOM 47086 H2 TIP3 13592 -10.686 10.493 20.528 1.00 0.00 WAT +ATOM 47087 OH2 TIP3 13593 -8.465 6.652 27.842 1.00 0.00 WAT +ATOM 47088 H1 TIP3 13593 -8.439 6.004 27.115 1.00 0.00 WAT +ATOM 47089 H2 TIP3 13593 -8.228 7.483 27.391 1.00 0.00 WAT +ATOM 47090 OH2 TIP3 13594 -6.571 2.639 25.529 1.00 0.00 WAT +ATOM 47091 H1 TIP3 13594 -7.138 3.395 25.752 1.00 0.00 WAT +ATOM 47092 H2 TIP3 13594 -5.998 3.014 24.832 1.00 0.00 WAT +ATOM 47093 OH2 TIP3 13595 -10.774 2.099 27.440 1.00 0.00 WAT +ATOM 47094 H1 TIP3 13595 -10.727 2.862 28.035 1.00 0.00 WAT +ATOM 47095 H2 TIP3 13595 -11.442 2.416 26.810 1.00 0.00 WAT +ATOM 47096 OH2 TIP3 13596 -19.178 4.280 20.451 1.00 0.00 WAT +ATOM 47097 H1 TIP3 13596 -19.168 4.118 19.502 1.00 0.00 WAT +ATOM 47098 H2 TIP3 13596 -18.388 3.794 20.750 1.00 0.00 WAT +ATOM 47099 OH2 TIP3 13597 -17.456 7.463 23.241 1.00 0.00 WAT +ATOM 47100 H1 TIP3 13597 -17.753 7.394 22.315 1.00 0.00 WAT +ATOM 47101 H2 TIP3 13597 -16.531 7.223 23.173 1.00 0.00 WAT +ATOM 47102 OH2 TIP3 13598 -18.434 3.514 23.969 1.00 0.00 WAT +ATOM 47103 H1 TIP3 13598 -17.871 3.258 23.212 1.00 0.00 WAT +ATOM 47104 H2 TIP3 13598 -17.812 3.863 24.607 1.00 0.00 WAT +ATOM 47105 OH2 TIP3 13599 -12.843 8.616 24.630 1.00 0.00 WAT +ATOM 47106 H1 TIP3 13599 -12.507 9.391 25.122 1.00 0.00 WAT +ATOM 47107 H2 TIP3 13599 -12.489 7.867 25.123 1.00 0.00 WAT +ATOM 47108 OH2 TIP3 13600 -17.531 7.517 28.653 1.00 0.00 WAT +ATOM 47109 H1 TIP3 13600 -17.995 8.119 29.271 1.00 0.00 WAT +ATOM 47110 H2 TIP3 13600 -18.284 7.227 28.102 1.00 0.00 WAT +ATOM 47111 OH2 TIP3 13601 -20.624 3.951 27.794 1.00 0.00 WAT +ATOM 47112 H1 TIP3 13601 -20.590 4.439 28.639 1.00 0.00 WAT +ATOM 47113 H2 TIP3 13601 -21.571 3.724 27.758 1.00 0.00 WAT +ATOM 47114 OH2 TIP3 13602 -19.468 9.629 29.501 1.00 0.00 WAT +ATOM 47115 H1 TIP3 13602 -19.631 9.597 28.545 1.00 0.00 WAT +ATOM 47116 H2 TIP3 13602 -20.342 9.393 29.872 1.00 0.00 WAT +ATOM 47117 OH2 TIP3 13603 -23.971 5.748 26.639 1.00 0.00 WAT +ATOM 47118 H1 TIP3 13603 -24.515 5.758 25.826 1.00 0.00 WAT +ATOM 47119 H2 TIP3 13603 -23.892 4.795 26.831 1.00 0.00 WAT +ATOM 47120 OH2 TIP3 13604 -23.945 8.663 23.606 1.00 0.00 WAT +ATOM 47121 H1 TIP3 13604 -23.014 8.430 23.713 1.00 0.00 WAT +ATOM 47122 H2 TIP3 13604 -24.064 9.299 24.325 1.00 0.00 WAT +ATOM 47123 OH2 TIP3 13605 -5.558 9.332 29.384 1.00 0.00 WAT +ATOM 47124 H1 TIP3 13605 -5.631 8.386 29.174 1.00 0.00 WAT +ATOM 47125 H2 TIP3 13605 -6.476 9.540 29.663 1.00 0.00 WAT +ATOM 47126 OH2 TIP3 13606 -15.003 8.462 28.083 1.00 0.00 WAT +ATOM 47127 H1 TIP3 13606 -14.731 9.216 28.653 1.00 0.00 WAT +ATOM 47128 H2 TIP3 13606 -15.787 8.157 28.596 1.00 0.00 WAT +ATOM 47129 OH2 TIP3 13607 -20.706 11.540 19.683 1.00 0.00 WAT +ATOM 47130 H1 TIP3 13607 -20.487 11.004 20.462 1.00 0.00 WAT +ATOM 47131 H2 TIP3 13607 -21.417 11.035 19.270 1.00 0.00 WAT +ATOM 47132 OH2 TIP3 13608 -11.620 11.496 17.983 1.00 0.00 WAT +ATOM 47133 H1 TIP3 13608 -12.575 11.553 17.998 1.00 0.00 WAT +ATOM 47134 H2 TIP3 13608 -11.441 10.720 18.533 1.00 0.00 WAT +ATOM 47135 OH2 TIP3 13609 -8.769 0.645 29.766 1.00 0.00 WAT +ATOM 47136 H1 TIP3 13609 -9.307 1.008 29.051 1.00 0.00 WAT +ATOM 47137 H2 TIP3 13609 -8.726 -0.299 29.515 1.00 0.00 WAT +ATOM 47138 OH2 TIP3 13610 -21.592 7.266 27.775 1.00 0.00 WAT +ATOM 47139 H1 TIP3 13610 -21.390 6.889 28.655 1.00 0.00 WAT +ATOM 47140 H2 TIP3 13610 -22.414 6.805 27.536 1.00 0.00 WAT +ATOM 47141 OH2 TIP3 13611 -18.586 -4.233 23.713 1.00 0.00 WAT +ATOM 47142 H1 TIP3 13611 -19.321 -4.334 23.086 1.00 0.00 WAT +ATOM 47143 H2 TIP3 13611 -18.919 -3.500 24.250 1.00 0.00 WAT +ATOM 47144 OH2 TIP3 13612 -14.251 -4.549 27.380 1.00 0.00 WAT +ATOM 47145 H1 TIP3 13612 -13.710 -5.112 27.968 1.00 0.00 WAT +ATOM 47146 H2 TIP3 13612 -15.136 -4.952 27.454 1.00 0.00 WAT +ATOM 47147 OH2 TIP3 13613 -11.086 -0.826 27.845 1.00 0.00 WAT +ATOM 47148 H1 TIP3 13613 -11.714 -1.048 28.559 1.00 0.00 WAT +ATOM 47149 H2 TIP3 13613 -11.204 0.132 27.741 1.00 0.00 WAT +ATOM 47150 OH2 TIP3 13614 -18.754 0.626 25.082 1.00 0.00 WAT +ATOM 47151 H1 TIP3 13614 -19.373 0.609 25.832 1.00 0.00 WAT +ATOM 47152 H2 TIP3 13614 -18.831 1.537 24.758 1.00 0.00 WAT +ATOM 47153 OH2 TIP3 13615 -18.907 0.893 19.859 1.00 0.00 WAT +ATOM 47154 H1 TIP3 13615 -19.776 0.470 19.711 1.00 0.00 WAT +ATOM 47155 H2 TIP3 13615 -18.459 0.658 19.009 1.00 0.00 WAT +ATOM 47156 OH2 TIP3 13616 -14.043 1.400 30.073 1.00 0.00 WAT +ATOM 47157 H1 TIP3 13616 -14.534 0.642 30.455 1.00 0.00 WAT +ATOM 47158 H2 TIP3 13616 -13.164 1.281 30.481 1.00 0.00 WAT +ATOM 47159 OH2 TIP3 13617 -12.376 0.988 20.983 1.00 0.00 WAT +ATOM 47160 H1 TIP3 13617 -12.648 1.269 20.101 1.00 0.00 WAT +ATOM 47161 H2 TIP3 13617 -12.487 0.024 20.912 1.00 0.00 WAT +ATOM 47162 OH2 TIP3 13618 -21.403 0.760 26.909 1.00 0.00 WAT +ATOM 47163 H1 TIP3 13618 -21.151 1.004 27.807 1.00 0.00 WAT +ATOM 47164 H2 TIP3 13618 -21.768 -0.132 27.058 1.00 0.00 WAT +ATOM 47165 OH2 TIP3 13619 -24.556 -1.736 20.580 1.00 0.00 WAT +ATOM 47166 H1 TIP3 13619 -23.890 -1.963 21.249 1.00 0.00 WAT +ATOM 47167 H2 TIP3 13619 -24.199 -2.121 19.750 1.00 0.00 WAT +ATOM 47168 OH2 TIP3 13620 -22.755 -1.205 15.919 1.00 0.00 WAT +ATOM 47169 H1 TIP3 13620 -22.516 -0.612 15.202 1.00 0.00 WAT +ATOM 47170 H2 TIP3 13620 -23.641 -0.919 16.167 1.00 0.00 WAT +ATOM 47171 OH2 TIP3 13621 -13.358 2.260 25.947 1.00 0.00 WAT +ATOM 47172 H1 TIP3 13621 -12.896 1.568 25.424 1.00 0.00 WAT +ATOM 47173 H2 TIP3 13621 -13.695 1.708 26.679 1.00 0.00 WAT +ATOM 47174 OH2 TIP3 13622 -15.928 -1.464 21.237 1.00 0.00 WAT +ATOM 47175 H1 TIP3 13622 -16.654 -1.893 20.763 1.00 0.00 WAT +ATOM 47176 H2 TIP3 13622 -15.557 -2.202 21.731 1.00 0.00 WAT +ATOM 47177 OH2 TIP3 13623 -21.423 -0.576 19.636 1.00 0.00 WAT +ATOM 47178 H1 TIP3 13623 -22.257 -0.477 19.156 1.00 0.00 WAT +ATOM 47179 H2 TIP3 13623 -21.064 -1.388 19.219 1.00 0.00 WAT +ATOM 47180 OH2 TIP3 13624 -17.759 0.340 17.387 1.00 0.00 WAT +ATOM 47181 H1 TIP3 13624 -17.211 -0.456 17.233 1.00 0.00 WAT +ATOM 47182 H2 TIP3 13624 -17.919 0.647 16.486 1.00 0.00 WAT +ATOM 47183 OH2 TIP3 13625 -8.731 13.132 30.659 1.00 0.00 WAT +ATOM 47184 H1 TIP3 13625 -8.485 13.590 29.843 1.00 0.00 WAT +ATOM 47185 H2 TIP3 13625 -8.025 13.439 31.258 1.00 0.00 WAT +ATOM 47186 OH2 TIP3 13626 -20.718 5.763 30.103 1.00 0.00 WAT +ATOM 47187 H1 TIP3 13626 -20.077 5.842 30.842 1.00 0.00 WAT +ATOM 47188 H2 TIP3 13626 -21.548 5.747 30.622 1.00 0.00 WAT +ATOM 47189 OH2 TIP3 13627 -14.884 0.860 22.899 1.00 0.00 WAT +ATOM 47190 H1 TIP3 13627 -14.691 0.242 22.175 1.00 0.00 WAT +ATOM 47191 H2 TIP3 13627 -15.188 0.218 23.579 1.00 0.00 WAT +ATOM 47192 OH2 TIP3 13628 -19.653 -2.779 18.888 1.00 0.00 WAT +ATOM 47193 H1 TIP3 13628 -20.133 -3.612 18.781 1.00 0.00 WAT +ATOM 47194 H2 TIP3 13628 -18.841 -2.961 18.384 1.00 0.00 WAT +ATOM 47195 OH2 TIP3 13629 -16.002 -0.706 25.007 1.00 0.00 WAT +ATOM 47196 H1 TIP3 13629 -16.854 -0.250 25.088 1.00 0.00 WAT +ATOM 47197 H2 TIP3 13629 -15.556 -0.523 25.853 1.00 0.00 WAT +ATOM 47198 OH2 TIP3 13630 -8.702 4.743 25.675 1.00 0.00 WAT +ATOM 47199 H1 TIP3 13630 -8.152 5.255 25.046 1.00 0.00 WAT +ATOM 47200 H2 TIP3 13630 -9.537 4.651 25.184 1.00 0.00 WAT +ATOM 47201 OH2 TIP3 13631 -21.061 4.640 22.393 1.00 0.00 WAT +ATOM 47202 H1 TIP3 13631 -20.230 4.744 21.882 1.00 0.00 WAT +ATOM 47203 H2 TIP3 13631 -20.749 4.116 23.154 1.00 0.00 WAT +ATOM 47204 OH2 TIP3 13632 -23.508 3.272 28.042 1.00 0.00 WAT +ATOM 47205 H1 TIP3 13632 -23.373 2.848 28.914 1.00 0.00 WAT +ATOM 47206 H2 TIP3 13632 -24.139 2.673 27.610 1.00 0.00 WAT +ATOM 47207 OH2 TIP3 13633 -16.543 2.851 29.973 1.00 0.00 WAT +ATOM 47208 H1 TIP3 13633 -16.941 2.450 29.185 1.00 0.00 WAT +ATOM 47209 H2 TIP3 13633 -15.639 2.485 29.953 1.00 0.00 WAT +ATOM 47210 OH2 TIP3 13634 -12.080 8.061 27.774 1.00 0.00 WAT +ATOM 47211 H1 TIP3 13634 -12.992 8.384 27.773 1.00 0.00 WAT +ATOM 47212 H2 TIP3 13634 -11.752 8.431 28.617 1.00 0.00 WAT +ATOM 47213 OH2 TIP3 13635 -6.060 6.270 29.337 1.00 0.00 WAT +ATOM 47214 H1 TIP3 13635 -6.981 6.529 29.139 1.00 0.00 WAT +ATOM 47215 H2 TIP3 13635 -5.688 6.143 28.442 1.00 0.00 WAT +ATOM 47216 OH2 TIP3 13636 -11.066 4.166 23.838 1.00 0.00 WAT +ATOM 47217 H1 TIP3 13636 -11.956 3.786 23.774 1.00 0.00 WAT +ATOM 47218 H2 TIP3 13636 -10.552 3.445 23.409 1.00 0.00 WAT +ATOM 47219 OH2 TIP3 13637 -18.373 8.385 20.348 1.00 0.00 WAT +ATOM 47220 H1 TIP3 13637 -17.798 8.817 19.700 1.00 0.00 WAT +ATOM 47221 H2 TIP3 13637 -19.202 8.356 19.852 1.00 0.00 WAT +ATOM 47222 OH2 TIP3 13638 -22.387 3.474 15.257 1.00 0.00 WAT +ATOM 47223 H1 TIP3 13638 -21.609 3.863 14.839 1.00 0.00 WAT +ATOM 47224 H2 TIP3 13638 -22.952 3.333 14.492 1.00 0.00 WAT +ATOM 47225 OH2 TIP3 13639 -16.260 10.023 26.002 1.00 0.00 WAT +ATOM 47226 H1 TIP3 13639 -15.914 10.873 25.668 1.00 0.00 WAT +ATOM 47227 H2 TIP3 13639 -15.777 9.963 26.841 1.00 0.00 WAT +ATOM 47228 OH2 TIP3 13640 -13.363 5.877 25.833 1.00 0.00 WAT +ATOM 47229 H1 TIP3 13640 -12.942 5.799 26.703 1.00 0.00 WAT +ATOM 47230 H2 TIP3 13640 -12.686 5.421 25.302 1.00 0.00 WAT +ATOM 47231 OH2 TIP3 13641 -10.085 10.573 27.969 1.00 0.00 WAT +ATOM 47232 H1 TIP3 13641 -10.833 10.188 27.484 1.00 0.00 WAT +ATOM 47233 H2 TIP3 13641 -9.905 11.385 27.458 1.00 0.00 WAT +ATOM 47234 OH2 TIP3 13642 -22.202 -2.051 27.649 1.00 0.00 WAT +ATOM 47235 H1 TIP3 13642 -23.118 -1.819 27.400 1.00 0.00 WAT +ATOM 47236 H2 TIP3 13642 -22.331 -2.924 28.061 1.00 0.00 WAT +ATOM 47237 OH2 TIP3 13643 -22.412 9.663 26.069 1.00 0.00 WAT +ATOM 47238 H1 TIP3 13643 -22.106 8.770 26.296 1.00 0.00 WAT +ATOM 47239 H2 TIP3 13643 -22.281 10.119 26.910 1.00 0.00 WAT +ATOM 47240 OH2 TIP3 13644 -13.134 -2.113 26.010 1.00 0.00 WAT +ATOM 47241 H1 TIP3 13644 -12.482 -1.993 26.712 1.00 0.00 WAT +ATOM 47242 H2 TIP3 13644 -13.627 -2.894 26.323 1.00 0.00 WAT +ATOM 47243 OH2 TIP3 13645 -14.666 0.232 27.550 1.00 0.00 WAT +ATOM 47244 H1 TIP3 13645 -14.650 0.615 28.446 1.00 0.00 WAT +ATOM 47245 H2 TIP3 13645 -14.289 -0.645 27.729 1.00 0.00 WAT +ATOM 47246 OH2 TIP3 13646 -8.535 -1.853 28.430 1.00 0.00 WAT +ATOM 47247 H1 TIP3 13646 -9.500 -1.772 28.302 1.00 0.00 WAT +ATOM 47248 H2 TIP3 13646 -8.294 -2.153 27.543 1.00 0.00 WAT +ATOM 47249 OH2 TIP3 13647 -10.057 2.016 22.391 1.00 0.00 WAT +ATOM 47250 H1 TIP3 13647 -10.713 1.590 21.811 1.00 0.00 WAT +ATOM 47251 H2 TIP3 13647 -9.478 1.264 22.596 1.00 0.00 WAT +ATOM 47252 OH2 TIP3 13648 -9.028 10.850 23.901 1.00 0.00 WAT +ATOM 47253 H1 TIP3 13648 -9.195 11.658 23.373 1.00 0.00 WAT +ATOM 47254 H2 TIP3 13648 -8.088 10.991 24.106 1.00 0.00 WAT +ATOM 47255 OH2 TIP3 13649 -21.458 -4.658 22.866 1.00 0.00 WAT +ATOM 47256 H1 TIP3 13649 -21.587 -4.700 21.890 1.00 0.00 WAT +ATOM 47257 H2 TIP3 13649 -21.776 -5.533 23.147 1.00 0.00 WAT +ATOM 47258 OH2 TIP3 13650 -22.468 8.791 19.182 1.00 0.00 WAT +ATOM 47259 H1 TIP3 13650 -23.282 9.292 19.326 1.00 0.00 WAT +ATOM 47260 H2 TIP3 13650 -22.098 9.262 18.423 1.00 0.00 WAT +ATOM 47261 OH2 TIP3 13651 -23.082 11.709 30.249 1.00 0.00 WAT +ATOM 47262 H1 TIP3 13651 -22.545 11.470 31.030 1.00 0.00 WAT +ATOM 47263 H2 TIP3 13651 -23.506 10.858 30.029 1.00 0.00 WAT +ATOM 47264 OH2 TIP3 13652 -18.424 10.808 32.049 1.00 0.00 WAT +ATOM 47265 H1 TIP3 13652 -17.750 10.160 32.301 1.00 0.00 WAT +ATOM 47266 H2 TIP3 13652 -18.644 10.521 31.150 1.00 0.00 WAT +ATOM 47267 OH2 TIP3 13653 -11.910 9.018 30.605 1.00 0.00 WAT +ATOM 47268 H1 TIP3 13653 -12.313 8.249 31.049 1.00 0.00 WAT +ATOM 47269 H2 TIP3 13653 -11.247 9.299 31.264 1.00 0.00 WAT +ATOM 47270 OH2 TIP3 13654 -23.140 5.365 31.392 1.00 0.00 WAT +ATOM 47271 H1 TIP3 13654 -23.073 4.446 31.085 1.00 0.00 WAT +ATOM 47272 H2 TIP3 13654 -23.922 5.671 30.895 1.00 0.00 WAT +ATOM 47273 OH2 TIP3 13655 -16.497 5.592 30.741 1.00 0.00 WAT +ATOM 47274 H1 TIP3 13655 -16.826 5.860 29.875 1.00 0.00 WAT +ATOM 47275 H2 TIP3 13655 -16.337 4.633 30.611 1.00 0.00 WAT +ATOM 47276 OH2 TIP3 13656 -11.293 5.283 28.030 1.00 0.00 WAT +ATOM 47277 H1 TIP3 13656 -10.372 5.570 27.898 1.00 0.00 WAT +ATOM 47278 H2 TIP3 13656 -11.700 6.136 28.253 1.00 0.00 WAT +ATOM 47279 OH2 TIP3 13657 -22.282 2.517 30.566 1.00 0.00 WAT +ATOM 47280 H1 TIP3 13657 -21.579 1.844 30.580 1.00 0.00 WAT +ATOM 47281 H2 TIP3 13657 -22.346 2.716 31.515 1.00 0.00 WAT +ATOM 47282 OH2 TIP3 13658 -18.599 1.614 28.019 1.00 0.00 WAT +ATOM 47283 H1 TIP3 13658 -19.167 2.357 28.282 1.00 0.00 WAT +ATOM 47284 H2 TIP3 13658 -18.047 2.011 27.327 1.00 0.00 WAT +ATOM 47285 OH2 TIP3 13659 -13.317 4.317 31.562 1.00 0.00 WAT +ATOM 47286 H1 TIP3 13659 -12.400 4.117 31.329 1.00 0.00 WAT +ATOM 47287 H2 TIP3 13659 -13.584 3.503 32.013 1.00 0.00 WAT +ATOM 47288 OH2 TIP3 13660 -18.034 -1.077 29.146 1.00 0.00 WAT +ATOM 47289 H1 TIP3 13660 -17.994 -1.757 28.445 1.00 0.00 WAT +ATOM 47290 H2 TIP3 13660 -18.287 -0.290 28.635 1.00 0.00 WAT +ATOM 47291 OH2 TIP3 13661 -17.737 -2.552 26.629 1.00 0.00 WAT +ATOM 47292 H1 TIP3 13661 -17.210 -2.170 25.908 1.00 0.00 WAT +ATOM 47293 H2 TIP3 13661 -18.634 -2.619 26.235 1.00 0.00 WAT +ATOM 47294 OH2 TIP3 13662 -16.319 3.077 26.707 1.00 0.00 WAT +ATOM 47295 H1 TIP3 13662 -15.423 2.793 26.457 1.00 0.00 WAT +ATOM 47296 H2 TIP3 13662 -16.357 3.979 26.406 1.00 0.00 WAT +ATOM 47297 OH2 TIP3 13663 -11.585 0.772 31.764 1.00 0.00 WAT +ATOM 47298 H1 TIP3 13663 -11.400 -0.165 31.935 1.00 0.00 WAT +ATOM 47299 H2 TIP3 13663 -10.689 1.142 31.753 1.00 0.00 WAT +ATOM 47300 OH2 TIP3 13664 -10.611 3.557 30.226 1.00 0.00 WAT +ATOM 47301 H1 TIP3 13664 -10.951 4.193 29.573 1.00 0.00 WAT +ATOM 47302 H2 TIP3 13664 -9.700 3.414 29.898 1.00 0.00 WAT +ATOM 47303 OH2 TIP3 13665 -19.830 0.782 30.888 1.00 0.00 WAT +ATOM 47304 H1 TIP3 13665 -20.381 -0.017 30.966 1.00 0.00 WAT +ATOM 47305 H2 TIP3 13665 -19.013 0.414 30.519 1.00 0.00 WAT +ATOM 47306 OH2 TIP3 13666 -16.989 -5.275 26.968 1.00 0.00 WAT +ATOM 47307 H1 TIP3 13666 -17.175 -4.332 26.796 1.00 0.00 WAT +ATOM 47308 H2 TIP3 13666 -17.657 -5.712 26.402 1.00 0.00 WAT +ATOM 47309 OH2 TIP3 13667 -15.753 -0.670 30.732 1.00 0.00 WAT +ATOM 47310 H1 TIP3 13667 -16.061 -0.934 31.617 1.00 0.00 WAT +ATOM 47311 H2 TIP3 13667 -16.546 -0.917 30.208 1.00 0.00 WAT +ATOM 47312 OH2 TIP3 13668 -13.191 -1.640 29.612 1.00 0.00 WAT +ATOM 47313 H1 TIP3 13668 -14.081 -1.655 30.009 1.00 0.00 WAT +ATOM 47314 H2 TIP3 13668 -12.724 -2.303 30.156 1.00 0.00 WAT +ATOM 47315 OH2 TIP3 13669 -11.327 -3.165 31.326 1.00 0.00 WAT +ATOM 47316 H1 TIP3 13669 -11.494 -4.119 31.463 1.00 0.00 WAT +ATOM 47317 H2 TIP3 13669 -11.536 -2.773 32.194 1.00 0.00 WAT +ATOM 47318 OH2 TIP3 13670 -21.169 -1.775 30.780 1.00 0.00 WAT +ATOM 47319 H1 TIP3 13670 -21.257 -2.490 30.129 1.00 0.00 WAT +ATOM 47320 H2 TIP3 13670 -21.388 -2.245 31.608 1.00 0.00 WAT +ATOM 47321 OH2 TIP3 13671 -17.135 -5.785 29.774 1.00 0.00 WAT +ATOM 47322 H1 TIP3 13671 -16.555 -6.564 29.822 1.00 0.00 WAT +ATOM 47323 H2 TIP3 13671 -17.173 -5.651 28.806 1.00 0.00 WAT +ATOM 47324 OH2 TIP3 13672 -16.191 -3.896 31.607 1.00 0.00 WAT +ATOM 47325 H1 TIP3 13672 -16.473 -4.514 30.900 1.00 0.00 WAT +ATOM 47326 H2 TIP3 13672 -16.932 -3.275 31.646 1.00 0.00 WAT +ATOM 47327 OH2 TIP3 13673 -16.738 12.642 15.097 1.00 0.00 WAT +ATOM 47328 H1 TIP3 13673 -15.871 13.021 15.246 1.00 0.00 WAT +ATOM 47329 H2 TIP3 13673 -17.109 13.289 14.482 1.00 0.00 WAT +ATOM 47330 OH2 TIP3 13674 -22.913 7.414 14.507 1.00 0.00 WAT +ATOM 47331 H1 TIP3 13674 -21.925 7.412 14.495 1.00 0.00 WAT +ATOM 47332 H2 TIP3 13674 -23.033 6.644 13.918 1.00 0.00 WAT +ATOM 47333 OH2 TIP3 13675 -24.274 12.730 19.407 1.00 0.00 WAT +ATOM 47334 H1 TIP3 13675 -24.957 12.324 18.841 1.00 0.00 WAT +ATOM 47335 H2 TIP3 13675 -24.117 12.018 20.060 1.00 0.00 WAT +ATOM 47336 OH2 TIP3 13676 -23.862 10.744 21.375 1.00 0.00 WAT +ATOM 47337 H1 TIP3 13676 -24.128 9.862 21.675 1.00 0.00 WAT +ATOM 47338 H2 TIP3 13676 -23.481 11.092 22.195 1.00 0.00 WAT +ATOM 47339 OH2 TIP3 13677 -6.322 12.034 24.404 1.00 0.00 WAT +ATOM 47340 H1 TIP3 13677 -6.059 11.925 25.326 1.00 0.00 WAT +ATOM 47341 H2 TIP3 13677 -5.474 12.227 23.974 1.00 0.00 WAT +ATOM 47342 OH2 TIP3 13678 -6.416 11.597 27.348 1.00 0.00 WAT +ATOM 47343 H1 TIP3 13678 -6.907 10.849 26.961 1.00 0.00 WAT +ATOM 47344 H2 TIP3 13678 -5.826 11.106 27.944 1.00 0.00 WAT +ATOM 47345 OH2 TIP3 13679 -8.415 6.886 31.516 1.00 0.00 WAT +ATOM 47346 H1 TIP3 13679 -9.280 6.940 31.956 1.00 0.00 WAT +ATOM 47347 H2 TIP3 13679 -7.948 7.665 31.862 1.00 0.00 WAT +ATOM 47348 OH2 TIP3 13680 -6.800 6.175 24.210 1.00 0.00 WAT +ATOM 47349 H1 TIP3 13680 -6.207 5.702 23.605 1.00 0.00 WAT +ATOM 47350 H2 TIP3 13680 -6.609 7.102 23.972 1.00 0.00 WAT +ATOM 47351 OH2 TIP3 13681 -8.043 9.187 26.555 1.00 0.00 WAT +ATOM 47352 H1 TIP3 13681 -8.772 9.577 27.066 1.00 0.00 WAT +ATOM 47353 H2 TIP3 13681 -8.504 8.817 25.779 1.00 0.00 WAT +ATOM 47354 OH2 TIP3 13682 -23.758 3.951 23.581 1.00 0.00 WAT +ATOM 47355 H1 TIP3 13682 -23.303 3.812 22.747 1.00 0.00 WAT +ATOM 47356 H2 TIP3 13682 -22.998 3.842 24.185 1.00 0.00 WAT +ATOM 47357 OH2 TIP3 13683 -8.004 3.791 29.169 1.00 0.00 WAT +ATOM 47358 H1 TIP3 13683 -7.293 3.155 29.386 1.00 0.00 WAT +ATOM 47359 H2 TIP3 13683 -7.504 4.610 29.046 1.00 0.00 WAT +ATOM 47360 OH2 TIP3 13684 -6.469 1.892 30.437 1.00 0.00 WAT +ATOM 47361 H1 TIP3 13684 -7.236 1.325 30.206 1.00 0.00 WAT +ATOM 47362 H2 TIP3 13684 -5.737 1.248 30.402 1.00 0.00 WAT +ATOM 47363 OH2 TIP3 13685 -8.409 -0.133 23.742 1.00 0.00 WAT +ATOM 47364 H1 TIP3 13685 -7.654 0.450 23.667 1.00 0.00 WAT +ATOM 47365 H2 TIP3 13685 -8.702 0.039 24.655 1.00 0.00 WAT +ATOM 47366 OH2 TIP3 13686 -8.359 0.673 26.464 1.00 0.00 WAT +ATOM 47367 H1 TIP3 13686 -9.216 1.017 26.777 1.00 0.00 WAT +ATOM 47368 H2 TIP3 13686 -7.858 1.493 26.289 1.00 0.00 WAT +ATOM 47369 OH2 TIP3 13687 -23.841 -0.573 30.164 1.00 0.00 WAT +ATOM 47370 H1 TIP3 13687 -22.909 -0.847 30.219 1.00 0.00 WAT +ATOM 47371 H2 TIP3 13687 -24.295 -1.433 30.234 1.00 0.00 WAT +ATOM 47372 OH2 TIP3 13688 -5.875 -5.332 31.863 1.00 0.00 WAT +ATOM 47373 H1 TIP3 13688 -5.394 -5.991 31.323 1.00 0.00 WAT +ATOM 47374 H2 TIP3 13688 -5.789 -4.534 31.309 1.00 0.00 WAT +ATOM 47375 OH2 TIP3 13689 -23.105 -2.259 23.033 1.00 0.00 WAT +ATOM 47376 H1 TIP3 13689 -22.636 -3.116 23.007 1.00 0.00 WAT +ATOM 47377 H2 TIP3 13689 -22.382 -1.661 23.292 1.00 0.00 WAT +ATOM 47378 OH2 TIP3 13690 -24.514 0.438 24.038 1.00 0.00 WAT +ATOM 47379 H1 TIP3 13690 -23.997 0.286 23.240 1.00 0.00 WAT +ATOM 47380 H2 TIP3 13690 -24.125 1.239 24.408 1.00 0.00 WAT +ATOM 47381 OH2 TIP3 13691 -6.410 -3.197 30.111 1.00 0.00 WAT +ATOM 47382 H1 TIP3 13691 -7.288 -2.777 30.124 1.00 0.00 WAT +ATOM 47383 H2 TIP3 13691 -6.487 -3.735 29.302 1.00 0.00 WAT +ATOM 47384 OH2 TIP3 13692 -24.034 -2.901 18.098 1.00 0.00 WAT +ATOM 47385 H1 TIP3 13692 -24.878 -3.270 17.801 1.00 0.00 WAT +ATOM 47386 H2 TIP3 13692 -23.479 -3.097 17.320 1.00 0.00 WAT +ATOM 47387 OH2 TIP3 13693 -9.341 11.871 20.176 1.00 0.00 WAT +ATOM 47388 H1 TIP3 13693 -8.919 11.708 19.314 1.00 0.00 WAT +ATOM 47389 H2 TIP3 13693 -8.668 12.409 20.614 1.00 0.00 WAT +ATOM 47390 OH2 TIP3 13694 -24.000 -4.313 26.257 1.00 0.00 WAT +ATOM 47391 H1 TIP3 13694 -24.711 -4.657 26.813 1.00 0.00 WAT +ATOM 47392 H2 TIP3 13694 -24.503 -3.845 25.568 1.00 0.00 WAT +ATOM 47393 OH2 TIP3 13695 -22.003 8.689 30.807 1.00 0.00 WAT +ATOM 47394 H1 TIP3 13695 -22.796 8.765 30.253 1.00 0.00 WAT +ATOM 47395 H2 TIP3 13695 -22.375 8.682 31.700 1.00 0.00 WAT +ATOM 47396 OH2 TIP3 13696 -19.146 9.565 26.499 1.00 0.00 WAT +ATOM 47397 H1 TIP3 13696 -19.581 10.389 26.223 1.00 0.00 WAT +ATOM 47398 H2 TIP3 13696 -18.214 9.800 26.373 1.00 0.00 WAT +ATOM 47399 OH2 TIP3 13697 -14.607 10.911 29.511 1.00 0.00 WAT +ATOM 47400 H1 TIP3 13697 -14.551 10.833 30.481 1.00 0.00 WAT +ATOM 47401 H2 TIP3 13697 -13.825 11.469 29.321 1.00 0.00 WAT +ATOM 47402 OH2 TIP3 13698 -12.384 12.470 28.815 1.00 0.00 WAT +ATOM 47403 H1 TIP3 13698 -11.661 11.852 28.627 1.00 0.00 WAT +ATOM 47404 H2 TIP3 13698 -12.102 12.819 29.684 1.00 0.00 WAT +ATOM 47405 OH2 TIP3 13699 -7.581 -4.931 28.035 1.00 0.00 WAT +ATOM 47406 H1 TIP3 13699 -8.383 -4.803 27.500 1.00 0.00 WAT +ATOM 47407 H2 TIP3 13699 -7.299 -5.815 27.714 1.00 0.00 WAT +ATOM 47408 OH2 TIP3 13700 -21.800 12.658 26.909 1.00 0.00 WAT +ATOM 47409 H1 TIP3 13700 -22.383 13.300 26.463 1.00 0.00 WAT +ATOM 47410 H2 TIP3 13700 -22.114 12.747 27.819 1.00 0.00 WAT +ATOM 47411 OH2 TIP3 13701 -19.263 12.402 25.461 1.00 0.00 WAT +ATOM 47412 H1 TIP3 13701 -20.121 12.591 25.892 1.00 0.00 WAT +ATOM 47413 H2 TIP3 13701 -19.234 13.100 24.777 1.00 0.00 WAT +ATOM 47414 OH2 TIP3 13702 -14.552 12.439 25.012 1.00 0.00 WAT +ATOM 47415 H1 TIP3 13702 -14.927 12.879 24.223 1.00 0.00 WAT +ATOM 47416 H2 TIP3 13702 -14.469 13.199 25.619 1.00 0.00 WAT +ATOM 47417 OH2 TIP3 13703 -12.209 11.128 25.859 1.00 0.00 WAT +ATOM 47418 H1 TIP3 13703 -13.055 11.540 25.588 1.00 0.00 WAT +ATOM 47419 H2 TIP3 13703 -11.635 11.911 25.897 1.00 0.00 WAT +ATOM 47420 OH2 TIP3 13704 -9.675 12.908 26.167 1.00 0.00 WAT +ATOM 47421 H1 TIP3 13704 -9.716 13.863 25.948 1.00 0.00 WAT +ATOM 47422 H2 TIP3 13704 -9.359 12.558 25.316 1.00 0.00 WAT +ATOM 47423 OH2 TIP3 13705 -22.234 11.486 23.859 1.00 0.00 WAT +ATOM 47424 H1 TIP3 13705 -22.242 10.994 24.707 1.00 0.00 WAT +ATOM 47425 H2 TIP3 13705 -21.480 11.055 23.403 1.00 0.00 WAT +ATOM 47426 OH2 TIP3 13706 -20.231 10.222 22.392 1.00 0.00 WAT +ATOM 47427 H1 TIP3 13706 -20.343 9.273 22.591 1.00 0.00 WAT +ATOM 47428 H2 TIP3 13706 -19.299 10.383 22.611 1.00 0.00 WAT +ATOM 47429 OH2 TIP3 13707 -17.406 10.704 23.154 1.00 0.00 WAT +ATOM 47430 H1 TIP3 13707 -17.253 9.773 22.948 1.00 0.00 WAT +ATOM 47431 H2 TIP3 13707 -17.472 10.699 24.118 1.00 0.00 WAT +ATOM 47432 OH2 TIP3 13708 -8.771 -4.821 22.428 1.00 0.00 WAT +ATOM 47433 H1 TIP3 13708 -8.233 -4.893 21.634 1.00 0.00 WAT +ATOM 47434 H2 TIP3 13708 -9.642 -5.158 22.148 1.00 0.00 WAT +ATOM 47435 OH2 TIP3 13709 -21.884 -4.763 20.129 1.00 0.00 WAT +ATOM 47436 H1 TIP3 13709 -22.598 -4.791 19.464 1.00 0.00 WAT +ATOM 47437 H2 TIP3 13709 -21.315 -5.483 19.807 1.00 0.00 WAT +ATOM 47438 OH2 TIP3 13710 -17.336 -4.750 19.973 1.00 0.00 WAT +ATOM 47439 H1 TIP3 13710 -16.496 -4.513 19.558 1.00 0.00 WAT +ATOM 47440 H2 TIP3 13710 -17.074 -5.105 20.829 1.00 0.00 WAT +ATOM 47441 OH2 TIP3 13711 -11.525 -5.548 21.961 1.00 0.00 WAT +ATOM 47442 H1 TIP3 13711 -11.828 -5.006 21.232 1.00 0.00 WAT +ATOM 47443 H2 TIP3 13711 -12.218 -6.238 21.988 1.00 0.00 WAT +ATOM 47444 OH2 TIP3 13712 -22.772 10.782 17.149 1.00 0.00 WAT +ATOM 47445 H1 TIP3 13712 -23.326 10.567 16.383 1.00 0.00 WAT +ATOM 47446 H2 TIP3 13712 -22.811 11.750 17.127 1.00 0.00 WAT +ATOM 47447 OH2 TIP3 13713 -7.669 11.205 17.634 1.00 0.00 WAT +ATOM 47448 H1 TIP3 13713 -7.792 10.517 16.971 1.00 0.00 WAT +ATOM 47449 H2 TIP3 13713 -7.575 11.987 17.056 1.00 0.00 WAT +ATOM 47450 OH2 TIP3 13714 -21.959 -4.449 29.581 1.00 0.00 WAT +ATOM 47451 H1 TIP3 13714 -22.368 -5.268 29.916 1.00 0.00 WAT +ATOM 47452 H2 TIP3 13714 -21.032 -4.600 29.824 1.00 0.00 WAT +ATOM 47453 OH2 TIP3 13715 -19.566 -5.070 31.309 1.00 0.00 WAT +ATOM 47454 H1 TIP3 13715 -18.753 -5.426 30.896 1.00 0.00 WAT +ATOM 47455 H2 TIP3 13715 -19.923 -5.871 31.728 1.00 0.00 WAT +ATOM 47456 OH2 TIP3 13716 -21.479 11.754 13.913 1.00 0.00 WAT +ATOM 47457 H1 TIP3 13716 -21.569 11.973 14.848 1.00 0.00 WAT +ATOM 47458 H2 TIP3 13716 -20.682 11.193 13.895 1.00 0.00 WAT +ATOM 47459 OH2 TIP3 13717 -11.458 -5.962 31.467 1.00 0.00 WAT +ATOM 47460 H1 TIP3 13717 -11.410 -6.375 32.350 1.00 0.00 WAT +ATOM 47461 H2 TIP3 13717 -10.526 -6.003 31.182 1.00 0.00 WAT +ATOM 47462 OH2 TIP3 13718 -8.083 10.360 30.149 1.00 0.00 WAT +ATOM 47463 H1 TIP3 13718 -8.848 10.176 29.577 1.00 0.00 WAT +ATOM 47464 H2 TIP3 13718 -8.249 11.291 30.387 1.00 0.00 WAT +ATOM 47465 OH2 TIP3 13719 6.330 3.956 20.337 1.00 0.00 WAT +ATOM 47466 H1 TIP3 13719 6.473 4.912 20.367 1.00 0.00 WAT +ATOM 47467 H2 TIP3 13719 5.667 3.888 19.642 1.00 0.00 WAT +ATOM 47468 OH2 TIP3 13720 4.894 3.485 23.331 1.00 0.00 WAT +ATOM 47469 H1 TIP3 13720 4.965 2.935 24.126 1.00 0.00 WAT +ATOM 47470 H2 TIP3 13720 4.735 2.823 22.642 1.00 0.00 WAT +ATOM 47471 OH2 TIP3 13721 -2.609 3.131 25.019 1.00 0.00 WAT +ATOM 47472 H1 TIP3 13721 -2.595 2.374 25.631 1.00 0.00 WAT +ATOM 47473 H2 TIP3 13721 -1.870 3.655 25.363 1.00 0.00 WAT +ATOM 47474 OH2 TIP3 13722 8.661 6.256 21.637 1.00 0.00 WAT +ATOM 47475 H1 TIP3 13722 8.293 5.519 22.142 1.00 0.00 WAT +ATOM 47476 H2 TIP3 13722 8.908 6.867 22.343 1.00 0.00 WAT +ATOM 47477 OH2 TIP3 13723 -1.942 7.633 23.520 1.00 0.00 WAT +ATOM 47478 H1 TIP3 13723 -2.125 6.721 23.220 1.00 0.00 WAT +ATOM 47479 H2 TIP3 13723 -0.990 7.570 23.706 1.00 0.00 WAT +ATOM 47480 OH2 TIP3 13724 5.754 11.600 22.257 1.00 0.00 WAT +ATOM 47481 H1 TIP3 13724 6.310 10.857 21.952 1.00 0.00 WAT +ATOM 47482 H2 TIP3 13724 5.437 11.272 23.109 1.00 0.00 WAT +ATOM 47483 OH2 TIP3 13725 3.442 5.979 23.955 1.00 0.00 WAT +ATOM 47484 H1 TIP3 13725 3.782 5.292 23.352 1.00 0.00 WAT +ATOM 47485 H2 TIP3 13725 4.265 6.149 24.454 1.00 0.00 WAT +ATOM 47486 OH2 TIP3 13726 12.140 -2.496 24.592 1.00 0.00 WAT +ATOM 47487 H1 TIP3 13726 12.359 -1.861 25.292 1.00 0.00 WAT +ATOM 47488 H2 TIP3 13726 12.720 -2.185 23.873 1.00 0.00 WAT +ATOM 47489 OH2 TIP3 13727 6.729 0.346 24.368 1.00 0.00 WAT +ATOM 47490 H1 TIP3 13727 6.859 -0.615 24.428 1.00 0.00 WAT +ATOM 47491 H2 TIP3 13727 6.653 0.460 23.406 1.00 0.00 WAT +ATOM 47492 OH2 TIP3 13728 -0.108 -1.383 21.506 1.00 0.00 WAT +ATOM 47493 H1 TIP3 13728 -0.115 -0.785 20.761 1.00 0.00 WAT +ATOM 47494 H2 TIP3 13728 0.076 -2.257 21.111 1.00 0.00 WAT +ATOM 47495 OH2 TIP3 13729 7.662 -1.341 19.864 1.00 0.00 WAT +ATOM 47496 H1 TIP3 13729 8.272 -1.893 20.377 1.00 0.00 WAT +ATOM 47497 H2 TIP3 13729 8.203 -1.049 19.119 1.00 0.00 WAT +ATOM 47498 OH2 TIP3 13730 1.549 2.218 21.207 1.00 0.00 WAT +ATOM 47499 H1 TIP3 13730 2.359 1.856 21.620 1.00 0.00 WAT +ATOM 47500 H2 TIP3 13730 1.002 1.434 21.160 1.00 0.00 WAT +ATOM 47501 OH2 TIP3 13731 12.866 -1.090 27.073 1.00 0.00 WAT +ATOM 47502 H1 TIP3 13731 12.256 -0.391 26.774 1.00 0.00 WAT +ATOM 47503 H2 TIP3 13731 12.613 -1.156 28.003 1.00 0.00 WAT +ATOM 47504 OH2 TIP3 13732 -1.508 -2.711 25.522 1.00 0.00 WAT +ATOM 47505 H1 TIP3 13732 -1.816 -2.094 24.839 1.00 0.00 WAT +ATOM 47506 H2 TIP3 13732 -2.152 -2.564 26.242 1.00 0.00 WAT +ATOM 47507 OH2 TIP3 13733 6.034 6.906 18.962 1.00 0.00 WAT +ATOM 47508 H1 TIP3 13733 5.759 6.739 18.036 1.00 0.00 WAT +ATOM 47509 H2 TIP3 13733 5.524 7.711 19.157 1.00 0.00 WAT +ATOM 47510 OH2 TIP3 13734 1.425 5.002 25.776 1.00 0.00 WAT +ATOM 47511 H1 TIP3 13734 0.720 5.631 26.035 1.00 0.00 WAT +ATOM 47512 H2 TIP3 13734 2.083 5.589 25.356 1.00 0.00 WAT +ATOM 47513 OH2 TIP3 13735 9.578 -2.380 21.877 1.00 0.00 WAT +ATOM 47514 H1 TIP3 13735 8.986 -2.820 22.502 1.00 0.00 WAT +ATOM 47515 H2 TIP3 13735 9.886 -1.625 22.412 1.00 0.00 WAT +ATOM 47516 OH2 TIP3 13736 -1.838 -0.743 23.457 1.00 0.00 WAT +ATOM 47517 H1 TIP3 13736 -1.215 -0.168 23.958 1.00 0.00 WAT +ATOM 47518 H2 TIP3 13736 -1.192 -1.101 22.801 1.00 0.00 WAT +ATOM 47519 OH2 TIP3 13737 -0.584 6.879 26.510 1.00 0.00 WAT +ATOM 47520 H1 TIP3 13737 -0.577 7.802 26.196 1.00 0.00 WAT +ATOM 47521 H2 TIP3 13737 -1.426 6.864 26.999 1.00 0.00 WAT +ATOM 47522 OH2 TIP3 13738 9.211 8.041 24.212 1.00 0.00 WAT +ATOM 47523 H1 TIP3 13738 8.240 8.149 24.213 1.00 0.00 WAT +ATOM 47524 H2 TIP3 13738 9.482 8.890 23.818 1.00 0.00 WAT +ATOM 47525 OH2 TIP3 13739 9.526 -3.047 25.717 1.00 0.00 WAT +ATOM 47526 H1 TIP3 13739 8.744 -2.701 25.248 1.00 0.00 WAT +ATOM 47527 H2 TIP3 13739 10.237 -2.905 25.066 1.00 0.00 WAT +ATOM 47528 OH2 TIP3 13740 2.689 -5.317 22.877 1.00 0.00 WAT +ATOM 47529 H1 TIP3 13740 2.493 -6.207 22.550 1.00 0.00 WAT +ATOM 47530 H2 TIP3 13740 1.803 -4.916 22.898 1.00 0.00 WAT +ATOM 47531 OH2 TIP3 13741 7.552 9.944 20.756 1.00 0.00 WAT +ATOM 47532 H1 TIP3 13741 7.980 9.153 20.383 1.00 0.00 WAT +ATOM 47533 H2 TIP3 13741 8.198 10.641 20.551 1.00 0.00 WAT +ATOM 47534 OH2 TIP3 13742 9.004 7.739 19.060 1.00 0.00 WAT +ATOM 47535 H1 TIP3 13742 8.327 7.291 18.536 1.00 0.00 WAT +ATOM 47536 H2 TIP3 13742 9.009 7.204 19.870 1.00 0.00 WAT +ATOM 47537 OH2 TIP3 13743 10.517 6.662 27.861 1.00 0.00 WAT +ATOM 47538 H1 TIP3 13743 10.388 6.022 27.137 1.00 0.00 WAT +ATOM 47539 H2 TIP3 13743 10.607 7.502 27.372 1.00 0.00 WAT +ATOM 47540 OH2 TIP3 13744 5.107 3.676 17.417 1.00 0.00 WAT +ATOM 47541 H1 TIP3 13744 4.354 4.245 17.201 1.00 0.00 WAT +ATOM 47542 H2 TIP3 13744 5.702 3.916 16.696 1.00 0.00 WAT +ATOM 47543 OH2 TIP3 13745 12.277 2.848 25.762 1.00 0.00 WAT +ATOM 47544 H1 TIP3 13745 11.545 3.489 25.854 1.00 0.00 WAT +ATOM 47545 H2 TIP3 13745 12.742 3.210 24.981 1.00 0.00 WAT +ATOM 47546 OH2 TIP3 13746 8.100 2.102 27.476 1.00 0.00 WAT +ATOM 47547 H1 TIP3 13746 8.159 2.931 27.980 1.00 0.00 WAT +ATOM 47548 H2 TIP3 13746 7.477 2.392 26.786 1.00 0.00 WAT +ATOM 47549 OH2 TIP3 13747 -0.293 4.155 20.169 1.00 0.00 WAT +ATOM 47550 H1 TIP3 13747 -0.436 3.873 19.258 1.00 0.00 WAT +ATOM 47551 H2 TIP3 13747 0.447 3.586 20.459 1.00 0.00 WAT +ATOM 47552 OH2 TIP3 13748 1.160 7.665 23.159 1.00 0.00 WAT +ATOM 47553 H1 TIP3 13748 1.163 7.393 22.230 1.00 0.00 WAT +ATOM 47554 H2 TIP3 13748 1.995 7.270 23.478 1.00 0.00 WAT +ATOM 47555 OH2 TIP3 13749 0.439 3.163 23.836 1.00 0.00 WAT +ATOM 47556 H1 TIP3 13749 1.046 3.226 23.080 1.00 0.00 WAT +ATOM 47557 H2 TIP3 13749 0.840 3.792 24.469 1.00 0.00 WAT +ATOM 47558 OH2 TIP3 13750 6.395 8.661 24.470 1.00 0.00 WAT +ATOM 47559 H1 TIP3 13750 6.414 9.346 25.161 1.00 0.00 WAT +ATOM 47560 H2 TIP3 13750 6.177 7.848 24.958 1.00 0.00 WAT +ATOM 47561 OH2 TIP3 13751 1.296 7.434 28.758 1.00 0.00 WAT +ATOM 47562 H1 TIP3 13751 0.828 8.151 29.220 1.00 0.00 WAT +ATOM 47563 H2 TIP3 13751 0.679 7.227 28.034 1.00 0.00 WAT +ATOM 47564 OH2 TIP3 13752 -1.794 3.890 27.840 1.00 0.00 WAT +ATOM 47565 H1 TIP3 13752 -1.710 4.447 28.636 1.00 0.00 WAT +ATOM 47566 H2 TIP3 13752 -2.750 3.746 27.793 1.00 0.00 WAT +ATOM 47567 OH2 TIP3 13753 4.637 9.608 19.698 1.00 0.00 WAT +ATOM 47568 H1 TIP3 13753 5.175 9.953 20.418 1.00 0.00 WAT +ATOM 47569 H2 TIP3 13753 4.210 10.397 19.333 1.00 0.00 WAT +ATOM 47570 OH2 TIP3 13754 -0.622 9.662 29.544 1.00 0.00 WAT +ATOM 47571 H1 TIP3 13754 -0.709 9.700 28.576 1.00 0.00 WAT +ATOM 47572 H2 TIP3 13754 -1.494 9.351 29.846 1.00 0.00 WAT +ATOM 47573 OH2 TIP3 13755 -5.185 5.743 26.659 1.00 0.00 WAT +ATOM 47574 H1 TIP3 13755 -5.594 5.739 25.773 1.00 0.00 WAT +ATOM 47575 H2 TIP3 13755 -5.003 4.797 26.819 1.00 0.00 WAT +ATOM 47576 OH2 TIP3 13756 -5.125 8.639 23.639 1.00 0.00 WAT +ATOM 47577 H1 TIP3 13756 -4.190 8.380 23.617 1.00 0.00 WAT +ATOM 47578 H2 TIP3 13756 -5.110 9.298 24.349 1.00 0.00 WAT +ATOM 47579 OH2 TIP3 13757 13.285 9.289 29.375 1.00 0.00 WAT +ATOM 47580 H1 TIP3 13757 13.170 8.338 29.196 1.00 0.00 WAT +ATOM 47581 H2 TIP3 13757 12.376 9.531 29.658 1.00 0.00 WAT +ATOM 47582 OH2 TIP3 13758 3.948 8.573 28.231 1.00 0.00 WAT +ATOM 47583 H1 TIP3 13758 4.026 9.425 28.728 1.00 0.00 WAT +ATOM 47584 H2 TIP3 13758 3.047 8.299 28.479 1.00 0.00 WAT +ATOM 47585 OH2 TIP3 13759 4.204 12.345 18.108 1.00 0.00 WAT +ATOM 47586 H1 TIP3 13759 4.202 12.319 17.139 1.00 0.00 WAT +ATOM 47587 H2 TIP3 13759 4.323 13.282 18.318 1.00 0.00 WAT +ATOM 47588 OH2 TIP3 13760 -2.191 11.225 19.628 1.00 0.00 WAT +ATOM 47589 H1 TIP3 13760 -2.057 10.800 20.493 1.00 0.00 WAT +ATOM 47590 H2 TIP3 13760 -2.975 10.765 19.281 1.00 0.00 WAT +ATOM 47591 OH2 TIP3 13761 7.587 11.623 14.956 1.00 0.00 WAT +ATOM 47592 H1 TIP3 13761 8.061 10.903 14.525 1.00 0.00 WAT +ATOM 47593 H2 TIP3 13761 7.613 11.356 15.890 1.00 0.00 WAT +ATOM 47594 OH2 TIP3 13762 6.968 11.334 17.943 1.00 0.00 WAT +ATOM 47595 H1 TIP3 13762 6.003 11.354 18.071 1.00 0.00 WAT +ATOM 47596 H2 TIP3 13762 7.194 10.558 18.477 1.00 0.00 WAT +ATOM 47597 OH2 TIP3 13763 10.070 0.653 29.783 1.00 0.00 WAT +ATOM 47598 H1 TIP3 13763 9.562 1.045 29.058 1.00 0.00 WAT +ATOM 47599 H2 TIP3 13763 10.121 -0.280 29.498 1.00 0.00 WAT +ATOM 47600 OH2 TIP3 13764 -3.003 7.316 27.957 1.00 0.00 WAT +ATOM 47601 H1 TIP3 13764 -2.685 6.823 28.742 1.00 0.00 WAT +ATOM 47602 H2 TIP3 13764 -3.665 6.720 27.569 1.00 0.00 WAT +ATOM 47603 OH2 TIP3 13765 -0.012 -4.237 23.579 1.00 0.00 WAT +ATOM 47604 H1 TIP3 13765 -0.832 -4.296 23.058 1.00 0.00 WAT +ATOM 47605 H2 TIP3 13765 -0.265 -3.572 24.238 1.00 0.00 WAT +ATOM 47606 OH2 TIP3 13766 4.598 -4.597 27.390 1.00 0.00 WAT +ATOM 47607 H1 TIP3 13766 5.141 -5.188 27.947 1.00 0.00 WAT +ATOM 47608 H2 TIP3 13766 3.718 -5.015 27.422 1.00 0.00 WAT +ATOM 47609 OH2 TIP3 13767 7.787 -0.847 27.865 1.00 0.00 WAT +ATOM 47610 H1 TIP3 13767 7.154 -1.011 28.588 1.00 0.00 WAT +ATOM 47611 H2 TIP3 13767 7.695 0.106 27.695 1.00 0.00 WAT +ATOM 47612 OH2 TIP3 13768 -0.035 0.537 25.048 1.00 0.00 WAT +ATOM 47613 H1 TIP3 13768 -0.463 0.678 25.907 1.00 0.00 WAT +ATOM 47614 H2 TIP3 13768 0.156 1.447 24.749 1.00 0.00 WAT +ATOM 47615 OH2 TIP3 13769 5.505 1.057 18.578 1.00 0.00 WAT +ATOM 47616 H1 TIP3 13769 5.279 1.935 18.228 1.00 0.00 WAT +ATOM 47617 H2 TIP3 13769 6.114 0.703 17.917 1.00 0.00 WAT +ATOM 47618 OH2 TIP3 13770 4.822 1.420 30.128 1.00 0.00 WAT +ATOM 47619 H1 TIP3 13770 4.335 0.637 30.457 1.00 0.00 WAT +ATOM 47620 H2 TIP3 13770 5.710 1.271 30.503 1.00 0.00 WAT +ATOM 47621 OH2 TIP3 13771 6.448 0.584 21.374 1.00 0.00 WAT +ATOM 47622 H1 TIP3 13771 6.198 1.139 20.611 1.00 0.00 WAT +ATOM 47623 H2 TIP3 13771 6.696 -0.231 20.877 1.00 0.00 WAT +ATOM 47624 OH2 TIP3 13772 -2.692 0.720 26.955 1.00 0.00 WAT +ATOM 47625 H1 TIP3 13772 -2.185 1.040 27.713 1.00 0.00 WAT +ATOM 47626 H2 TIP3 13772 -2.879 -0.200 27.220 1.00 0.00 WAT +ATOM 47627 OH2 TIP3 13773 5.589 2.266 25.967 1.00 0.00 WAT +ATOM 47628 H1 TIP3 13773 6.033 1.567 25.434 1.00 0.00 WAT +ATOM 47629 H2 TIP3 13773 5.292 1.762 26.736 1.00 0.00 WAT +ATOM 47630 OH2 TIP3 13774 7.160 -2.644 23.974 1.00 0.00 WAT +ATOM 47631 H1 TIP3 13774 6.529 -2.632 24.722 1.00 0.00 WAT +ATOM 47632 H2 TIP3 13774 6.549 -2.980 23.278 1.00 0.00 WAT +ATOM 47633 OH2 TIP3 13775 10.207 13.142 30.683 1.00 0.00 WAT +ATOM 47634 H1 TIP3 13775 10.412 13.595 29.848 1.00 0.00 WAT +ATOM 47635 H2 TIP3 13775 10.917 13.458 31.265 1.00 0.00 WAT +ATOM 47636 OH2 TIP3 13776 -1.904 5.749 30.098 1.00 0.00 WAT +ATOM 47637 H1 TIP3 13776 -1.201 5.841 30.776 1.00 0.00 WAT +ATOM 47638 H2 TIP3 13776 -2.687 5.778 30.680 1.00 0.00 WAT +ATOM 47639 OH2 TIP3 13777 3.739 0.764 22.708 1.00 0.00 WAT +ATOM 47640 H1 TIP3 13777 4.484 0.355 22.236 1.00 0.00 WAT +ATOM 47641 H2 TIP3 13777 3.631 0.150 23.461 1.00 0.00 WAT +ATOM 47642 OH2 TIP3 13778 2.808 -0.748 25.073 1.00 0.00 WAT +ATOM 47643 H1 TIP3 13778 2.021 -0.189 25.088 1.00 0.00 WAT +ATOM 47644 H2 TIP3 13778 3.287 -0.494 25.885 1.00 0.00 WAT +ATOM 47645 OH2 TIP3 13779 2.525 5.648 16.752 1.00 0.00 WAT +ATOM 47646 H1 TIP3 13779 1.977 4.890 16.549 1.00 0.00 WAT +ATOM 47647 H2 TIP3 13779 2.658 5.635 17.710 1.00 0.00 WAT +ATOM 47648 OH2 TIP3 13780 10.154 4.776 25.706 1.00 0.00 WAT +ATOM 47649 H1 TIP3 13780 10.651 5.317 25.055 1.00 0.00 WAT +ATOM 47650 H2 TIP3 13780 9.310 4.635 25.230 1.00 0.00 WAT +ATOM 47651 OH2 TIP3 13781 4.511 5.655 28.277 1.00 0.00 WAT +ATOM 47652 H1 TIP3 13781 4.292 5.355 29.167 1.00 0.00 WAT +ATOM 47653 H2 TIP3 13781 4.296 6.601 28.310 1.00 0.00 WAT +ATOM 47654 OH2 TIP3 13782 -2.070 4.879 22.594 1.00 0.00 WAT +ATOM 47655 H1 TIP3 13782 -1.460 4.831 21.836 1.00 0.00 WAT +ATOM 47656 H2 TIP3 13782 -1.781 4.119 23.123 1.00 0.00 WAT +ATOM 47657 OH2 TIP3 13783 5.318 6.811 16.303 1.00 0.00 WAT +ATOM 47658 H1 TIP3 13783 5.126 7.750 16.144 1.00 0.00 WAT +ATOM 47659 H2 TIP3 13783 4.769 6.400 15.624 1.00 0.00 WAT +ATOM 47660 OH2 TIP3 13784 -4.774 3.275 28.050 1.00 0.00 WAT +ATOM 47661 H1 TIP3 13784 -4.499 2.864 28.895 1.00 0.00 WAT +ATOM 47662 H2 TIP3 13784 -5.222 2.544 27.603 1.00 0.00 WAT +ATOM 47663 OH2 TIP3 13785 2.290 2.764 30.000 1.00 0.00 WAT +ATOM 47664 H1 TIP3 13785 2.043 2.564 29.082 1.00 0.00 WAT +ATOM 47665 H2 TIP3 13785 3.228 2.494 29.986 1.00 0.00 WAT +ATOM 47666 OH2 TIP3 13786 6.825 8.175 27.780 1.00 0.00 WAT +ATOM 47667 H1 TIP3 13786 5.870 8.349 27.716 1.00 0.00 WAT +ATOM 47668 H2 TIP3 13786 7.015 8.473 28.686 1.00 0.00 WAT +ATOM 47669 OH2 TIP3 13787 12.830 6.320 29.322 1.00 0.00 WAT +ATOM 47670 H1 TIP3 13787 11.890 6.526 29.133 1.00 0.00 WAT +ATOM 47671 H2 TIP3 13787 13.154 6.128 28.420 1.00 0.00 WAT +ATOM 47672 OH2 TIP3 13788 7.843 4.146 24.007 1.00 0.00 WAT +ATOM 47673 H1 TIP3 13788 6.919 4.031 23.723 1.00 0.00 WAT +ATOM 47674 H2 TIP3 13788 8.280 3.458 23.464 1.00 0.00 WAT +ATOM 47675 OH2 TIP3 13789 0.339 8.316 20.133 1.00 0.00 WAT +ATOM 47676 H1 TIP3 13789 0.894 9.087 19.931 1.00 0.00 WAT +ATOM 47677 H2 TIP3 13789 -0.470 8.543 19.665 1.00 0.00 WAT +ATOM 47678 OH2 TIP3 13790 2.273 5.892 19.826 1.00 0.00 WAT +ATOM 47679 H1 TIP3 13790 2.099 6.839 19.741 1.00 0.00 WAT +ATOM 47680 H2 TIP3 13790 1.401 5.533 20.016 1.00 0.00 WAT +ATOM 47681 OH2 TIP3 13791 2.447 10.192 26.008 1.00 0.00 WAT +ATOM 47682 H1 TIP3 13791 2.950 10.992 25.774 1.00 0.00 WAT +ATOM 47683 H2 TIP3 13791 3.057 9.778 26.640 1.00 0.00 WAT +ATOM 47684 OH2 TIP3 13792 0.847 11.204 19.347 1.00 0.00 WAT +ATOM 47685 H1 TIP3 13792 -0.112 11.324 19.291 1.00 0.00 WAT +ATOM 47686 H2 TIP3 13792 1.160 12.112 19.517 1.00 0.00 WAT +ATOM 47687 OH2 TIP3 13793 5.872 5.979 25.568 1.00 0.00 WAT +ATOM 47688 H1 TIP3 13793 5.589 5.724 26.463 1.00 0.00 WAT +ATOM 47689 H2 TIP3 13793 6.601 5.360 25.402 1.00 0.00 WAT +ATOM 47690 OH2 TIP3 13794 8.817 10.547 27.962 1.00 0.00 WAT +ATOM 47691 H1 TIP3 13794 8.039 10.117 27.560 1.00 0.00 WAT +ATOM 47692 H2 TIP3 13794 8.880 11.374 27.449 1.00 0.00 WAT +ATOM 47693 OH2 TIP3 13795 -3.334 -2.043 27.644 1.00 0.00 WAT +ATOM 47694 H1 TIP3 13795 -4.253 -1.874 27.387 1.00 0.00 WAT +ATOM 47695 H2 TIP3 13795 -3.405 -2.935 28.031 1.00 0.00 WAT +ATOM 47696 OH2 TIP3 13796 -3.656 9.689 26.082 1.00 0.00 WAT +ATOM 47697 H1 TIP3 13796 -3.282 8.804 26.205 1.00 0.00 WAT +ATOM 47698 H2 TIP3 13796 -3.335 10.124 26.884 1.00 0.00 WAT +ATOM 47699 OH2 TIP3 13797 5.592 -2.180 26.251 1.00 0.00 WAT +ATOM 47700 H1 TIP3 13797 6.258 -1.995 26.926 1.00 0.00 WAT +ATOM 47701 H2 TIP3 13797 5.119 -2.954 26.618 1.00 0.00 WAT +ATOM 47702 OH2 TIP3 13798 4.196 9.564 16.468 1.00 0.00 WAT +ATOM 47703 H1 TIP3 13798 3.243 9.753 16.542 1.00 0.00 WAT +ATOM 47704 H2 TIP3 13798 4.435 10.030 15.667 1.00 0.00 WAT +ATOM 47705 OH2 TIP3 13799 3.985 0.126 27.604 1.00 0.00 WAT +ATOM 47706 H1 TIP3 13799 4.130 0.622 28.425 1.00 0.00 WAT +ATOM 47707 H2 TIP3 13799 4.544 -0.654 27.735 1.00 0.00 WAT +ATOM 47708 OH2 TIP3 13800 1.418 10.512 16.498 1.00 0.00 WAT +ATOM 47709 H1 TIP3 13800 1.296 11.300 15.938 1.00 0.00 WAT +ATOM 47710 H2 TIP3 13800 1.249 10.846 17.393 1.00 0.00 WAT +ATOM 47711 OH2 TIP3 13801 10.313 -1.867 28.457 1.00 0.00 WAT +ATOM 47712 H1 TIP3 13801 9.353 -1.737 28.320 1.00 0.00 WAT +ATOM 47713 H2 TIP3 13801 10.546 -2.114 27.548 1.00 0.00 WAT +ATOM 47714 OH2 TIP3 13802 8.833 1.980 22.406 1.00 0.00 WAT +ATOM 47715 H1 TIP3 13802 8.051 1.546 22.021 1.00 0.00 WAT +ATOM 47716 H2 TIP3 13802 9.307 1.230 22.817 1.00 0.00 WAT +ATOM 47717 OH2 TIP3 13803 9.841 10.825 23.872 1.00 0.00 WAT +ATOM 47718 H1 TIP3 13803 9.663 11.644 23.371 1.00 0.00 WAT +ATOM 47719 H2 TIP3 13803 10.767 10.971 24.121 1.00 0.00 WAT +ATOM 47720 OH2 TIP3 13804 -2.706 -4.421 22.670 1.00 0.00 WAT +ATOM 47721 H1 TIP3 13804 -2.873 -4.621 21.741 1.00 0.00 WAT +ATOM 47722 H2 TIP3 13804 -3.023 -5.234 23.103 1.00 0.00 WAT +ATOM 47723 OH2 TIP3 13805 -4.328 11.789 30.371 1.00 0.00 WAT +ATOM 47724 H1 TIP3 13805 -3.720 11.505 31.084 1.00 0.00 WAT +ATOM 47725 H2 TIP3 13805 -4.685 10.930 30.071 1.00 0.00 WAT +ATOM 47726 OH2 TIP3 13806 0.304 10.734 32.099 1.00 0.00 WAT +ATOM 47727 H1 TIP3 13806 1.106 10.219 32.282 1.00 0.00 WAT +ATOM 47728 H2 TIP3 13806 0.192 10.545 31.152 1.00 0.00 WAT +ATOM 47729 OH2 TIP3 13807 6.968 9.035 30.622 1.00 0.00 WAT +ATOM 47730 H1 TIP3 13807 6.527 8.257 31.004 1.00 0.00 WAT +ATOM 47731 H2 TIP3 13807 7.614 9.272 31.309 1.00 0.00 WAT +ATOM 47732 OH2 TIP3 13808 -4.325 5.360 31.417 1.00 0.00 WAT +ATOM 47733 H1 TIP3 13808 -4.198 4.462 31.069 1.00 0.00 WAT +ATOM 47734 H2 TIP3 13808 -5.068 5.670 30.864 1.00 0.00 WAT +ATOM 47735 OH2 TIP3 13809 2.281 5.530 30.770 1.00 0.00 WAT +ATOM 47736 H1 TIP3 13809 2.052 5.897 29.898 1.00 0.00 WAT +ATOM 47737 H2 TIP3 13809 2.390 4.577 30.580 1.00 0.00 WAT +ATOM 47738 OH2 TIP3 13810 7.681 5.182 28.148 1.00 0.00 WAT +ATOM 47739 H1 TIP3 13810 8.477 5.690 27.928 1.00 0.00 WAT +ATOM 47740 H2 TIP3 13810 7.008 5.882 28.112 1.00 0.00 WAT +ATOM 47741 OH2 TIP3 13811 -3.460 2.488 30.542 1.00 0.00 WAT +ATOM 47742 H1 TIP3 13811 -2.708 1.868 30.532 1.00 0.00 WAT +ATOM 47743 H2 TIP3 13811 -3.477 2.716 31.486 1.00 0.00 WAT +ATOM 47744 OH2 TIP3 13812 0.140 1.605 27.870 1.00 0.00 WAT +ATOM 47745 H1 TIP3 13812 -0.274 2.417 28.209 1.00 0.00 WAT +ATOM 47746 H2 TIP3 13812 0.905 1.969 27.383 1.00 0.00 WAT +ATOM 47747 OH2 TIP3 13813 5.521 4.337 31.581 1.00 0.00 WAT +ATOM 47748 H1 TIP3 13813 6.416 4.163 31.250 1.00 0.00 WAT +ATOM 47749 H2 TIP3 13813 5.282 3.475 31.947 1.00 0.00 WAT +ATOM 47750 OH2 TIP3 13814 0.783 -1.087 29.149 1.00 0.00 WAT +ATOM 47751 H1 TIP3 13814 0.885 -1.755 28.443 1.00 0.00 WAT +ATOM 47752 H2 TIP3 13814 0.630 -0.287 28.621 1.00 0.00 WAT +ATOM 47753 OH2 TIP3 13815 1.103 -2.555 26.597 1.00 0.00 WAT +ATOM 47754 H1 TIP3 13815 1.698 -2.137 25.944 1.00 0.00 WAT +ATOM 47755 H2 TIP3 13815 0.245 -2.566 26.130 1.00 0.00 WAT +ATOM 47756 OH2 TIP3 13816 2.648 2.829 27.011 1.00 0.00 WAT +ATOM 47757 H1 TIP3 13816 3.500 2.716 26.560 1.00 0.00 WAT +ATOM 47758 H2 TIP3 13816 2.390 3.717 26.693 1.00 0.00 WAT +ATOM 47759 OH2 TIP3 13817 7.268 0.770 31.810 1.00 0.00 WAT +ATOM 47760 H1 TIP3 13817 7.497 -0.169 31.886 1.00 0.00 WAT +ATOM 47761 H2 TIP3 13817 8.148 1.172 31.730 1.00 0.00 WAT +ATOM 47762 OH2 TIP3 13818 8.234 3.561 30.278 1.00 0.00 WAT +ATOM 47763 H1 TIP3 13818 7.896 4.175 29.591 1.00 0.00 WAT +ATOM 47764 H2 TIP3 13818 9.127 3.394 29.915 1.00 0.00 WAT +ATOM 47765 OH2 TIP3 13819 -1.010 0.787 30.912 1.00 0.00 WAT +ATOM 47766 H1 TIP3 13819 -1.515 -0.046 30.934 1.00 0.00 WAT +ATOM 47767 H2 TIP3 13819 -0.176 0.494 30.513 1.00 0.00 WAT +ATOM 47768 OH2 TIP3 13820 1.833 -5.272 27.029 1.00 0.00 WAT +ATOM 47769 H1 TIP3 13820 1.688 -4.335 26.790 1.00 0.00 WAT +ATOM 47770 H2 TIP3 13820 1.207 -5.720 26.423 1.00 0.00 WAT +ATOM 47771 OH2 TIP3 13821 3.115 -0.695 30.755 1.00 0.00 WAT +ATOM 47772 H1 TIP3 13821 2.772 -0.934 31.634 1.00 0.00 WAT +ATOM 47773 H2 TIP3 13821 2.333 -0.906 30.205 1.00 0.00 WAT +ATOM 47774 OH2 TIP3 13822 5.691 -1.630 29.630 1.00 0.00 WAT +ATOM 47775 H1 TIP3 13822 4.794 -1.633 30.007 1.00 0.00 WAT +ATOM 47776 H2 TIP3 13822 6.143 -2.297 30.182 1.00 0.00 WAT +ATOM 47777 OH2 TIP3 13823 7.510 -3.168 31.337 1.00 0.00 WAT +ATOM 47778 H1 TIP3 13823 7.367 -4.126 31.479 1.00 0.00 WAT +ATOM 47779 H2 TIP3 13823 7.332 -2.781 32.213 1.00 0.00 WAT +ATOM 47780 OH2 TIP3 13824 -2.350 -1.768 30.786 1.00 0.00 WAT +ATOM 47781 H1 TIP3 13824 -2.389 -2.487 30.133 1.00 0.00 WAT +ATOM 47782 H2 TIP3 13824 -2.543 -2.251 31.610 1.00 0.00 WAT +ATOM 47783 OH2 TIP3 13825 1.704 -5.791 29.783 1.00 0.00 WAT +ATOM 47784 H1 TIP3 13825 2.308 -6.552 29.813 1.00 0.00 WAT +ATOM 47785 H2 TIP3 13825 1.664 -5.644 28.812 1.00 0.00 WAT +ATOM 47786 OH2 TIP3 13826 2.633 -3.938 31.651 1.00 0.00 WAT +ATOM 47787 H1 TIP3 13826 2.398 -4.526 30.902 1.00 0.00 WAT +ATOM 47788 H2 TIP3 13826 1.944 -3.262 31.607 1.00 0.00 WAT +ATOM 47789 OH2 TIP3 13827 1.726 12.989 14.996 1.00 0.00 WAT +ATOM 47790 H1 TIP3 13827 2.672 12.963 15.191 1.00 0.00 WAT +ATOM 47791 H2 TIP3 13827 1.705 13.697 14.337 1.00 0.00 WAT +ATOM 47792 OH2 TIP3 13828 -5.633 12.668 19.396 1.00 0.00 WAT +ATOM 47793 H1 TIP3 13828 -6.139 12.170 18.734 1.00 0.00 WAT +ATOM 47794 H2 TIP3 13828 -5.295 11.945 19.958 1.00 0.00 WAT +ATOM 47795 OH2 TIP3 13829 -4.955 10.660 21.293 1.00 0.00 WAT +ATOM 47796 H1 TIP3 13829 -5.240 9.793 21.612 1.00 0.00 WAT +ATOM 47797 H2 TIP3 13829 -4.559 11.032 22.093 1.00 0.00 WAT +ATOM 47798 OH2 TIP3 13830 12.564 11.996 24.366 1.00 0.00 WAT +ATOM 47799 H1 TIP3 13830 12.720 11.964 25.322 1.00 0.00 WAT +ATOM 47800 H2 TIP3 13830 13.427 12.279 24.035 1.00 0.00 WAT +ATOM 47801 OH2 TIP3 13831 12.468 11.436 27.249 1.00 0.00 WAT +ATOM 47802 H1 TIP3 13831 11.932 10.701 26.895 1.00 0.00 WAT +ATOM 47803 H2 TIP3 13831 13.002 10.957 27.901 1.00 0.00 WAT +ATOM 47804 OH2 TIP3 13832 10.459 6.856 31.547 1.00 0.00 WAT +ATOM 47805 H1 TIP3 13832 9.569 6.942 31.929 1.00 0.00 WAT +ATOM 47806 H2 TIP3 13832 10.905 7.666 31.850 1.00 0.00 WAT +ATOM 47807 OH2 TIP3 13833 12.072 6.209 24.260 1.00 0.00 WAT +ATOM 47808 H1 TIP3 13833 12.639 5.721 23.643 1.00 0.00 WAT +ATOM 47809 H2 TIP3 13833 12.156 7.119 23.928 1.00 0.00 WAT +ATOM 47810 OH2 TIP3 13834 10.757 9.145 26.477 1.00 0.00 WAT +ATOM 47811 H1 TIP3 13834 10.021 9.555 26.968 1.00 0.00 WAT +ATOM 47812 H2 TIP3 13834 10.296 8.785 25.692 1.00 0.00 WAT +ATOM 47813 OH2 TIP3 13835 10.329 2.144 19.653 1.00 0.00 WAT +ATOM 47814 H1 TIP3 13835 10.202 1.189 19.525 1.00 0.00 WAT +ATOM 47815 H2 TIP3 13835 9.957 2.294 20.536 1.00 0.00 WAT +ATOM 47816 OH2 TIP3 13836 -4.882 3.946 23.509 1.00 0.00 WAT +ATOM 47817 H1 TIP3 13836 -4.514 4.074 22.623 1.00 0.00 WAT +ATOM 47818 H2 TIP3 13836 -4.047 3.823 24.011 1.00 0.00 WAT +ATOM 47819 OH2 TIP3 13837 10.846 3.783 29.204 1.00 0.00 WAT +ATOM 47820 H1 TIP3 13837 11.582 3.169 29.386 1.00 0.00 WAT +ATOM 47821 H2 TIP3 13837 11.304 4.614 29.020 1.00 0.00 WAT +ATOM 47822 OH2 TIP3 13838 12.404 1.889 30.420 1.00 0.00 WAT +ATOM 47823 H1 TIP3 13838 11.614 1.351 30.198 1.00 0.00 WAT +ATOM 47824 H2 TIP3 13838 13.110 1.214 30.397 1.00 0.00 WAT +ATOM 47825 OH2 TIP3 13839 10.185 -0.387 18.352 1.00 0.00 WAT +ATOM 47826 H1 TIP3 13839 10.169 -1.338 18.190 1.00 0.00 WAT +ATOM 47827 H2 TIP3 13839 10.687 -0.070 17.595 1.00 0.00 WAT +ATOM 47828 OH2 TIP3 13840 10.334 -0.066 23.666 1.00 0.00 WAT +ATOM 47829 H1 TIP3 13840 11.300 0.066 23.650 1.00 0.00 WAT +ATOM 47830 H2 TIP3 13840 10.168 -0.015 24.622 1.00 0.00 WAT +ATOM 47831 OH2 TIP3 13841 10.529 0.666 26.513 1.00 0.00 WAT +ATOM 47832 H1 TIP3 13841 9.661 1.032 26.764 1.00 0.00 WAT +ATOM 47833 H2 TIP3 13841 11.029 1.470 26.283 1.00 0.00 WAT +ATOM 47834 OH2 TIP3 13842 -5.008 -0.613 30.118 1.00 0.00 WAT +ATOM 47835 H1 TIP3 13842 -4.066 -0.847 30.209 1.00 0.00 WAT +ATOM 47836 H2 TIP3 13842 -5.431 -1.480 30.248 1.00 0.00 WAT +ATOM 47837 OH2 TIP3 13843 13.079 -5.190 31.794 1.00 0.00 WAT +ATOM 47838 H1 TIP3 13843 13.483 -5.880 31.236 1.00 0.00 WAT +ATOM 47839 H2 TIP3 13843 13.097 -4.413 31.202 1.00 0.00 WAT +ATOM 47840 OH2 TIP3 13844 10.841 -3.396 18.174 1.00 0.00 WAT +ATOM 47841 H1 TIP3 13844 10.618 -3.689 19.068 1.00 0.00 WAT +ATOM 47842 H2 TIP3 13844 10.089 -3.777 17.699 1.00 0.00 WAT +ATOM 47843 OH2 TIP3 13845 12.450 -3.142 30.035 1.00 0.00 WAT +ATOM 47844 H1 TIP3 13845 11.574 -2.718 30.090 1.00 0.00 WAT +ATOM 47845 H2 TIP3 13845 12.318 -3.693 29.241 1.00 0.00 WAT +ATOM 47846 OH2 TIP3 13846 9.472 12.077 20.037 1.00 0.00 WAT +ATOM 47847 H1 TIP3 13846 9.970 11.717 19.282 1.00 0.00 WAT +ATOM 47848 H2 TIP3 13846 10.175 12.363 20.631 1.00 0.00 WAT +ATOM 47849 OH2 TIP3 13847 -5.111 -4.269 26.356 1.00 0.00 WAT +ATOM 47850 H1 TIP3 13847 -5.780 -4.752 26.854 1.00 0.00 WAT +ATOM 47851 H2 TIP3 13847 -5.646 -3.927 25.612 1.00 0.00 WAT +ATOM 47852 OH2 TIP3 13848 -3.159 8.704 30.902 1.00 0.00 WAT +ATOM 47853 H1 TIP3 13848 -3.886 8.752 30.266 1.00 0.00 WAT +ATOM 47854 H2 TIP3 13848 -3.609 8.761 31.754 1.00 0.00 WAT +ATOM 47855 OH2 TIP3 13849 -0.326 9.736 26.563 1.00 0.00 WAT +ATOM 47856 H1 TIP3 13849 -0.587 10.605 26.208 1.00 0.00 WAT +ATOM 47857 H2 TIP3 13849 0.640 9.795 26.405 1.00 0.00 WAT +ATOM 47858 OH2 TIP3 13850 4.048 10.955 29.520 1.00 0.00 WAT +ATOM 47859 H1 TIP3 13850 3.847 11.178 30.437 1.00 0.00 WAT +ATOM 47860 H2 TIP3 13850 4.584 11.716 29.248 1.00 0.00 WAT +ATOM 47861 OH2 TIP3 13851 6.484 12.540 28.796 1.00 0.00 WAT +ATOM 47862 H1 TIP3 13851 7.059 11.775 28.652 1.00 0.00 WAT +ATOM 47863 H2 TIP3 13851 6.692 12.756 29.725 1.00 0.00 WAT +ATOM 47864 OH2 TIP3 13852 11.320 -4.909 28.015 1.00 0.00 WAT +ATOM 47865 H1 TIP3 13852 10.513 -4.717 27.504 1.00 0.00 WAT +ATOM 47866 H2 TIP3 13852 11.534 -5.806 27.685 1.00 0.00 WAT +ATOM 47867 OH2 TIP3 13853 -2.976 12.604 26.918 1.00 0.00 WAT +ATOM 47868 H1 TIP3 13853 -3.442 13.314 26.456 1.00 0.00 WAT +ATOM 47869 H2 TIP3 13853 -3.221 12.773 27.836 1.00 0.00 WAT +ATOM 47870 OH2 TIP3 13854 -0.443 12.437 25.429 1.00 0.00 WAT +ATOM 47871 H1 TIP3 13854 -1.249 12.693 25.906 1.00 0.00 WAT +ATOM 47872 H2 TIP3 13854 -0.338 13.152 24.773 1.00 0.00 WAT +ATOM 47873 OH2 TIP3 13855 4.284 12.433 25.005 1.00 0.00 WAT +ATOM 47874 H1 TIP3 13855 3.909 12.938 24.264 1.00 0.00 WAT +ATOM 47875 H2 TIP3 13855 4.315 13.118 25.705 1.00 0.00 WAT +ATOM 47876 OH2 TIP3 13856 6.632 11.172 25.919 1.00 0.00 WAT +ATOM 47877 H1 TIP3 13856 5.771 11.517 25.615 1.00 0.00 WAT +ATOM 47878 H2 TIP3 13856 7.159 11.982 25.944 1.00 0.00 WAT +ATOM 47879 OH2 TIP3 13857 9.203 12.911 26.139 1.00 0.00 WAT +ATOM 47880 H1 TIP3 13857 9.117 13.854 25.901 1.00 0.00 WAT +ATOM 47881 H2 TIP3 13857 9.433 12.527 25.276 1.00 0.00 WAT +ATOM 47882 OH2 TIP3 13858 -3.392 11.465 23.852 1.00 0.00 WAT +ATOM 47883 H1 TIP3 13858 -3.343 11.000 24.713 1.00 0.00 WAT +ATOM 47884 H2 TIP3 13858 -2.611 11.073 23.401 1.00 0.00 WAT +ATOM 47885 OH2 TIP3 13859 -1.386 10.251 22.352 1.00 0.00 WAT +ATOM 47886 H1 TIP3 13859 -1.434 9.294 22.534 1.00 0.00 WAT +ATOM 47887 H2 TIP3 13859 -0.447 10.439 22.562 1.00 0.00 WAT +ATOM 47888 OH2 TIP3 13860 1.377 10.700 23.180 1.00 0.00 WAT +ATOM 47889 H1 TIP3 13860 1.632 9.800 22.923 1.00 0.00 WAT +ATOM 47890 H2 TIP3 13860 1.509 10.656 24.141 1.00 0.00 WAT +ATOM 47891 OH2 TIP3 13861 5.012 -3.524 22.362 1.00 0.00 WAT +ATOM 47892 H1 TIP3 13861 4.160 -3.980 22.491 1.00 0.00 WAT +ATOM 47893 H2 TIP3 13861 5.247 -3.892 21.496 1.00 0.00 WAT +ATOM 47894 OH2 TIP3 13862 9.447 -5.419 22.756 1.00 0.00 WAT +ATOM 47895 H1 TIP3 13862 10.199 -4.988 22.330 1.00 0.00 WAT +ATOM 47896 H2 TIP3 13862 8.695 -5.169 22.201 1.00 0.00 WAT +ATOM 47897 OH2 TIP3 13863 12.355 -4.213 21.018 1.00 0.00 WAT +ATOM 47898 H1 TIP3 13863 12.143 -4.824 20.296 1.00 0.00 WAT +ATOM 47899 H2 TIP3 13863 11.825 -3.423 20.862 1.00 0.00 WAT +ATOM 47900 OH2 TIP3 13864 4.812 12.225 14.890 1.00 0.00 WAT +ATOM 47901 H1 TIP3 13864 5.788 12.262 14.839 1.00 0.00 WAT +ATOM 47902 H2 TIP3 13864 4.611 11.684 14.115 1.00 0.00 WAT +ATOM 47903 OH2 TIP3 13865 11.212 11.254 17.622 1.00 0.00 WAT +ATOM 47904 H1 TIP3 13865 11.205 10.422 17.120 1.00 0.00 WAT +ATOM 47905 H2 TIP3 13865 11.353 11.897 16.908 1.00 0.00 WAT +ATOM 47906 OH2 TIP3 13866 -3.123 -4.434 29.622 1.00 0.00 WAT +ATOM 47907 H1 TIP3 13866 -3.509 -5.279 29.913 1.00 0.00 WAT +ATOM 47908 H2 TIP3 13866 -2.181 -4.600 29.781 1.00 0.00 WAT +ATOM 47909 OH2 TIP3 13867 -0.701 -5.064 31.323 1.00 0.00 WAT +ATOM 47910 H1 TIP3 13867 0.120 -5.373 30.883 1.00 0.00 WAT +ATOM 47911 H2 TIP3 13867 -1.026 -5.900 31.686 1.00 0.00 WAT +ATOM 47912 OH2 TIP3 13868 7.403 -5.962 31.484 1.00 0.00 WAT +ATOM 47913 H1 TIP3 13868 7.453 -6.388 32.360 1.00 0.00 WAT +ATOM 47914 H2 TIP3 13868 8.334 -6.007 31.197 1.00 0.00 WAT +ATOM 47915 OH2 TIP3 13869 10.765 10.374 30.160 1.00 0.00 WAT +ATOM 47916 H1 TIP3 13869 10.033 10.171 29.548 1.00 0.00 WAT +ATOM 47917 H2 TIP3 13869 10.576 11.310 30.362 1.00 0.00 WAT +ATOM 47918 OH2 TIP3 13870 25.018 4.057 20.279 1.00 0.00 WAT +ATOM 47919 H1 TIP3 13870 24.958 5.020 20.363 1.00 0.00 WAT +ATOM 47920 H2 TIP3 13870 24.261 3.861 19.705 1.00 0.00 WAT +ATOM 47921 OH2 TIP3 13871 23.879 3.487 23.389 1.00 0.00 WAT +ATOM 47922 H1 TIP3 13871 23.801 2.922 24.176 1.00 0.00 WAT +ATOM 47923 H2 TIP3 13871 23.522 2.892 22.709 1.00 0.00 WAT +ATOM 47924 OH2 TIP3 13872 16.315 3.090 25.011 1.00 0.00 WAT +ATOM 47925 H1 TIP3 13872 16.272 2.349 25.641 1.00 0.00 WAT +ATOM 47926 H2 TIP3 13872 16.987 3.651 25.423 1.00 0.00 WAT +ATOM 47927 OH2 TIP3 13873 27.497 6.200 21.692 1.00 0.00 WAT +ATOM 47928 H1 TIP3 13873 27.107 5.482 22.214 1.00 0.00 WAT +ATOM 47929 H2 TIP3 13873 27.821 6.794 22.372 1.00 0.00 WAT +ATOM 47930 OH2 TIP3 13874 16.944 7.656 23.508 1.00 0.00 WAT +ATOM 47931 H1 TIP3 13874 16.703 6.759 23.194 1.00 0.00 WAT +ATOM 47932 H2 TIP3 13874 17.881 7.516 23.708 1.00 0.00 WAT +ATOM 47933 OH2 TIP3 13875 13.744 1.163 18.850 1.00 0.00 WAT +ATOM 47934 H1 TIP3 13875 13.330 2.006 19.085 1.00 0.00 WAT +ATOM 47935 H2 TIP3 13875 13.051 0.751 18.324 1.00 0.00 WAT +ATOM 47936 OH2 TIP3 13876 14.531 3.714 20.673 1.00 0.00 WAT +ATOM 47937 H1 TIP3 13876 14.583 2.844 21.095 1.00 0.00 WAT +ATOM 47938 H2 TIP3 13876 15.386 3.787 20.238 1.00 0.00 WAT +ATOM 47939 OH2 TIP3 13877 24.565 11.627 22.128 1.00 0.00 WAT +ATOM 47940 H1 TIP3 13877 25.135 10.869 21.896 1.00 0.00 WAT +ATOM 47941 H2 TIP3 13877 24.132 11.393 22.957 1.00 0.00 WAT +ATOM 47942 OH2 TIP3 13878 22.362 6.037 23.934 1.00 0.00 WAT +ATOM 47943 H1 TIP3 13878 22.639 5.268 23.410 1.00 0.00 WAT +ATOM 47944 H2 TIP3 13878 23.176 6.198 24.444 1.00 0.00 WAT +ATOM 47945 OH2 TIP3 13879 30.915 -2.321 24.487 1.00 0.00 WAT +ATOM 47946 H1 TIP3 13879 31.255 -1.975 25.335 1.00 0.00 WAT +ATOM 47947 H2 TIP3 13879 31.710 -2.322 23.919 1.00 0.00 WAT +ATOM 47948 OH2 TIP3 13880 25.701 0.336 24.416 1.00 0.00 WAT +ATOM 47949 H1 TIP3 13880 25.693 -0.629 24.533 1.00 0.00 WAT +ATOM 47950 H2 TIP3 13880 25.463 0.416 23.478 1.00 0.00 WAT +ATOM 47951 OH2 TIP3 13881 18.529 -1.706 21.362 1.00 0.00 WAT +ATOM 47952 H1 TIP3 13881 18.661 -0.837 20.939 1.00 0.00 WAT +ATOM 47953 H2 TIP3 13881 18.056 -2.177 20.664 1.00 0.00 WAT +ATOM 47954 OH2 TIP3 13882 26.206 -1.560 19.819 1.00 0.00 WAT +ATOM 47955 H1 TIP3 13882 26.841 -2.057 20.363 1.00 0.00 WAT +ATOM 47956 H2 TIP3 13882 26.769 -1.260 19.096 1.00 0.00 WAT +ATOM 47957 OH2 TIP3 13883 15.310 1.172 21.991 1.00 0.00 WAT +ATOM 47958 H1 TIP3 13883 15.855 0.626 22.577 1.00 0.00 WAT +ATOM 47959 H2 TIP3 13883 15.209 0.608 21.212 1.00 0.00 WAT +ATOM 47960 OH2 TIP3 13884 20.700 2.468 21.461 1.00 0.00 WAT +ATOM 47961 H1 TIP3 13884 21.322 1.852 21.890 1.00 0.00 WAT +ATOM 47962 H2 TIP3 13884 20.118 1.857 20.976 1.00 0.00 WAT +ATOM 47963 OH2 TIP3 13885 31.657 -1.040 26.956 1.00 0.00 WAT +ATOM 47964 H1 TIP3 13885 30.931 -0.396 26.838 1.00 0.00 WAT +ATOM 47965 H2 TIP3 13885 31.603 -1.168 27.916 1.00 0.00 WAT +ATOM 47966 OH2 TIP3 13886 17.358 -2.879 25.613 1.00 0.00 WAT +ATOM 47967 H1 TIP3 13886 16.989 -2.256 24.963 1.00 0.00 WAT +ATOM 47968 H2 TIP3 13886 16.714 -2.774 26.344 1.00 0.00 WAT +ATOM 47969 OH2 TIP3 13887 24.833 6.936 18.899 1.00 0.00 WAT +ATOM 47970 H1 TIP3 13887 24.358 6.688 18.105 1.00 0.00 WAT +ATOM 47971 H2 TIP3 13887 24.423 7.799 19.107 1.00 0.00 WAT +ATOM 47972 OH2 TIP3 13888 20.330 5.028 25.806 1.00 0.00 WAT +ATOM 47973 H1 TIP3 13888 19.564 5.578 26.080 1.00 0.00 WAT +ATOM 47974 H2 TIP3 13888 20.899 5.685 25.370 1.00 0.00 WAT +ATOM 47975 OH2 TIP3 13889 28.258 -2.179 21.863 1.00 0.00 WAT +ATOM 47976 H1 TIP3 13889 27.810 -2.814 22.438 1.00 0.00 WAT +ATOM 47977 H2 TIP3 13889 28.847 -1.721 22.473 1.00 0.00 WAT +ATOM 47978 OH2 TIP3 13890 17.042 -0.889 23.594 1.00 0.00 WAT +ATOM 47979 H1 TIP3 13890 17.661 -0.269 24.033 1.00 0.00 WAT +ATOM 47980 H2 TIP3 13890 17.604 -1.224 22.864 1.00 0.00 WAT +ATOM 47981 OH2 TIP3 13891 18.304 6.873 26.534 1.00 0.00 WAT +ATOM 47982 H1 TIP3 13891 18.252 7.795 26.221 1.00 0.00 WAT +ATOM 47983 H2 TIP3 13891 17.428 6.796 26.960 1.00 0.00 WAT +ATOM 47984 OH2 TIP3 13892 27.951 8.071 24.397 1.00 0.00 WAT +ATOM 47985 H1 TIP3 13892 27.028 7.874 24.196 1.00 0.00 WAT +ATOM 47986 H2 TIP3 13892 28.175 8.807 23.801 1.00 0.00 WAT +ATOM 47987 OH2 TIP3 13893 28.383 -3.035 25.724 1.00 0.00 WAT +ATOM 47988 H1 TIP3 13893 27.577 -2.716 25.274 1.00 0.00 WAT +ATOM 47989 H2 TIP3 13893 29.066 -2.922 25.042 1.00 0.00 WAT +ATOM 47990 OH2 TIP3 13894 21.519 -5.374 22.794 1.00 0.00 WAT +ATOM 47991 H1 TIP3 13894 21.283 -6.320 22.729 1.00 0.00 WAT +ATOM 47992 H2 TIP3 13894 20.688 -4.994 23.149 1.00 0.00 WAT +ATOM 47993 OH2 TIP3 13895 26.498 9.914 21.004 1.00 0.00 WAT +ATOM 47994 H1 TIP3 13895 26.868 9.187 20.468 1.00 0.00 WAT +ATOM 47995 H2 TIP3 13895 27.002 10.673 20.640 1.00 0.00 WAT +ATOM 47996 OH2 TIP3 13896 27.816 7.808 19.378 1.00 0.00 WAT +ATOM 47997 H1 TIP3 13896 27.266 7.407 18.690 1.00 0.00 WAT +ATOM 47998 H2 TIP3 13896 27.735 7.154 20.097 1.00 0.00 WAT +ATOM 47999 OH2 TIP3 13897 29.317 6.681 27.856 1.00 0.00 WAT +ATOM 48000 H1 TIP3 13897 29.243 5.990 27.173 1.00 0.00 WAT +ATOM 48001 H2 TIP3 13897 29.512 7.482 27.337 1.00 0.00 WAT +ATOM 48002 OH2 TIP3 13898 23.733 3.433 17.739 1.00 0.00 WAT +ATOM 48003 H1 TIP3 13898 22.993 3.914 17.349 1.00 0.00 WAT +ATOM 48004 H2 TIP3 13898 24.370 3.382 17.000 1.00 0.00 WAT +ATOM 48005 OH2 TIP3 13899 31.158 2.648 25.460 1.00 0.00 WAT +ATOM 48006 H1 TIP3 13899 30.534 3.326 25.779 1.00 0.00 WAT +ATOM 48007 H2 TIP3 13899 31.721 3.152 24.856 1.00 0.00 WAT +ATOM 48008 OH2 TIP3 13900 27.135 3.588 18.590 1.00 0.00 WAT +ATOM 48009 H1 TIP3 13900 26.408 3.797 19.223 1.00 0.00 WAT +ATOM 48010 H2 TIP3 13900 27.599 2.903 19.086 1.00 0.00 WAT +ATOM 48011 OH2 TIP3 13901 26.980 2.110 27.460 1.00 0.00 WAT +ATOM 48012 H1 TIP3 13901 26.992 2.913 28.007 1.00 0.00 WAT +ATOM 48013 H2 TIP3 13901 26.288 2.376 26.827 1.00 0.00 WAT +ATOM 48014 OH2 TIP3 13902 18.683 4.398 20.187 1.00 0.00 WAT +ATOM 48015 H1 TIP3 13902 18.354 4.057 19.340 1.00 0.00 WAT +ATOM 48016 H2 TIP3 13902 19.392 3.787 20.429 1.00 0.00 WAT +ATOM 48017 OH2 TIP3 13903 20.074 7.743 23.131 1.00 0.00 WAT +ATOM 48018 H1 TIP3 13903 19.932 7.457 22.209 1.00 0.00 WAT +ATOM 48019 H2 TIP3 13903 20.859 7.229 23.393 1.00 0.00 WAT +ATOM 48020 OH2 TIP3 13904 19.335 3.129 23.900 1.00 0.00 WAT +ATOM 48021 H1 TIP3 13904 19.867 3.221 23.088 1.00 0.00 WAT +ATOM 48022 H2 TIP3 13904 19.691 3.828 24.477 1.00 0.00 WAT +ATOM 48023 OH2 TIP3 13905 20.167 7.488 28.687 1.00 0.00 WAT +ATOM 48024 H1 TIP3 13905 19.656 8.107 29.241 1.00 0.00 WAT +ATOM 48025 H2 TIP3 13905 19.488 7.215 28.040 1.00 0.00 WAT +ATOM 48026 OH2 TIP3 13906 26.011 2.879 16.081 1.00 0.00 WAT +ATOM 48027 H1 TIP3 13906 26.559 3.184 16.829 1.00 0.00 WAT +ATOM 48028 H2 TIP3 13906 26.455 3.318 15.320 1.00 0.00 WAT +ATOM 48029 OH2 TIP3 13907 17.086 3.878 27.839 1.00 0.00 WAT +ATOM 48030 H1 TIP3 13907 17.133 4.437 28.636 1.00 0.00 WAT +ATOM 48031 H2 TIP3 13907 16.127 3.731 27.768 1.00 0.00 WAT +ATOM 48032 OH2 TIP3 13908 23.656 9.620 19.671 1.00 0.00 WAT +ATOM 48033 H1 TIP3 13908 23.895 10.074 20.482 1.00 0.00 WAT +ATOM 48034 H2 TIP3 13908 23.056 10.262 19.252 1.00 0.00 WAT +ATOM 48035 OH2 TIP3 13909 18.249 9.649 29.554 1.00 0.00 WAT +ATOM 48036 H1 TIP3 13909 18.120 9.658 28.590 1.00 0.00 WAT +ATOM 48037 H2 TIP3 13909 17.371 9.383 29.892 1.00 0.00 WAT +ATOM 48038 OH2 TIP3 13910 29.366 -5.336 15.910 1.00 0.00 WAT +ATOM 48039 H1 TIP3 13910 28.393 -5.343 15.791 1.00 0.00 WAT +ATOM 48040 H2 TIP3 13910 29.572 -4.435 15.629 1.00 0.00 WAT +ATOM 48041 OH2 TIP3 13911 30.927 8.855 14.148 1.00 0.00 WAT +ATOM 48042 H1 TIP3 13911 31.060 9.804 14.340 1.00 0.00 WAT +ATOM 48043 H2 TIP3 13911 31.809 8.487 14.348 1.00 0.00 WAT +ATOM 48044 OH2 TIP3 13912 13.716 5.755 26.666 1.00 0.00 WAT +ATOM 48045 H1 TIP3 13912 13.257 5.771 25.801 1.00 0.00 WAT +ATOM 48046 H2 TIP3 13912 13.833 4.798 26.814 1.00 0.00 WAT +ATOM 48047 OH2 TIP3 13913 13.758 8.702 23.593 1.00 0.00 WAT +ATOM 48048 H1 TIP3 13913 14.671 8.388 23.658 1.00 0.00 WAT +ATOM 48049 H2 TIP3 13913 13.699 9.291 24.357 1.00 0.00 WAT +ATOM 48050 OH2 TIP3 13914 32.133 9.285 29.358 1.00 0.00 WAT +ATOM 48051 H1 TIP3 13914 32.020 8.325 29.245 1.00 0.00 WAT +ATOM 48052 H2 TIP3 13914 31.232 9.542 29.658 1.00 0.00 WAT +ATOM 48053 OH2 TIP3 13915 22.773 8.545 28.147 1.00 0.00 WAT +ATOM 48054 H1 TIP3 13915 22.849 9.320 28.741 1.00 0.00 WAT +ATOM 48055 H2 TIP3 13915 21.883 8.209 28.387 1.00 0.00 WAT +ATOM 48056 OH2 TIP3 13916 23.198 12.312 18.136 1.00 0.00 WAT +ATOM 48057 H1 TIP3 13916 23.020 12.321 17.179 1.00 0.00 WAT +ATOM 48058 H2 TIP3 13916 23.127 13.245 18.382 1.00 0.00 WAT +ATOM 48059 OH2 TIP3 13917 16.608 11.195 19.622 1.00 0.00 WAT +ATOM 48060 H1 TIP3 13917 16.876 10.789 20.465 1.00 0.00 WAT +ATOM 48061 H2 TIP3 13917 15.735 10.794 19.499 1.00 0.00 WAT +ATOM 48062 OH2 TIP3 13918 26.399 11.786 15.323 1.00 0.00 WAT +ATOM 48063 H1 TIP3 13918 26.970 11.128 14.880 1.00 0.00 WAT +ATOM 48064 H2 TIP3 13918 26.305 11.394 16.212 1.00 0.00 WAT +ATOM 48065 OH2 TIP3 13919 25.796 11.191 18.181 1.00 0.00 WAT +ATOM 48066 H1 TIP3 13919 24.836 11.385 18.200 1.00 0.00 WAT +ATOM 48067 H2 TIP3 13919 25.806 10.374 18.697 1.00 0.00 WAT +ATOM 48068 OH2 TIP3 13920 28.974 0.676 29.748 1.00 0.00 WAT +ATOM 48069 H1 TIP3 13920 28.357 1.021 29.089 1.00 0.00 WAT +ATOM 48070 H2 TIP3 13920 28.983 -0.275 29.529 1.00 0.00 WAT +ATOM 48071 OH2 TIP3 13921 15.901 7.300 27.901 1.00 0.00 WAT +ATOM 48072 H1 TIP3 13921 16.164 6.845 28.728 1.00 0.00 WAT +ATOM 48073 H2 TIP3 13921 15.158 6.757 27.580 1.00 0.00 WAT +ATOM 48074 OH2 TIP3 13922 19.055 -4.216 23.681 1.00 0.00 WAT +ATOM 48075 H1 TIP3 13922 18.307 -4.256 23.065 1.00 0.00 WAT +ATOM 48076 H2 TIP3 13922 18.739 -3.543 24.308 1.00 0.00 WAT +ATOM 48077 OH2 TIP3 13923 23.469 -4.652 27.303 1.00 0.00 WAT +ATOM 48078 H1 TIP3 13923 23.985 -5.162 27.958 1.00 0.00 WAT +ATOM 48079 H2 TIP3 13923 22.558 -4.975 27.446 1.00 0.00 WAT +ATOM 48080 OH2 TIP3 13924 26.642 -0.822 27.872 1.00 0.00 WAT +ATOM 48081 H1 TIP3 13924 26.010 -1.035 28.585 1.00 0.00 WAT +ATOM 48082 H2 TIP3 13924 26.499 0.128 27.732 1.00 0.00 WAT +ATOM 48083 OH2 TIP3 13925 27.513 3.975 13.912 1.00 0.00 WAT +ATOM 48084 H1 TIP3 13925 27.302 3.916 12.960 1.00 0.00 WAT +ATOM 48085 H2 TIP3 13925 28.426 4.307 13.882 1.00 0.00 WAT +ATOM 48086 OH2 TIP3 13926 18.951 0.558 25.076 1.00 0.00 WAT +ATOM 48087 H1 TIP3 13926 18.373 0.660 25.852 1.00 0.00 WAT +ATOM 48088 H2 TIP3 13926 18.994 1.476 24.730 1.00 0.00 WAT +ATOM 48089 OH2 TIP3 13927 18.866 0.728 19.856 1.00 0.00 WAT +ATOM 48090 H1 TIP3 13927 17.908 0.697 19.700 1.00 0.00 WAT +ATOM 48091 H2 TIP3 13927 19.200 0.533 18.957 1.00 0.00 WAT +ATOM 48092 OH2 TIP3 13928 24.860 1.055 18.670 1.00 0.00 WAT +ATOM 48093 H1 TIP3 13928 24.327 1.850 18.473 1.00 0.00 WAT +ATOM 48094 H2 TIP3 13928 25.177 0.822 17.792 1.00 0.00 WAT +ATOM 48095 OH2 TIP3 13929 23.706 1.385 30.060 1.00 0.00 WAT +ATOM 48096 H1 TIP3 13929 23.179 0.664 30.461 1.00 0.00 WAT +ATOM 48097 H2 TIP3 13929 24.563 1.274 30.515 1.00 0.00 WAT +ATOM 48098 OH2 TIP3 13930 25.438 0.519 21.493 1.00 0.00 WAT +ATOM 48099 H1 TIP3 13930 25.150 1.074 20.745 1.00 0.00 WAT +ATOM 48100 H2 TIP3 13930 25.602 -0.313 20.995 1.00 0.00 WAT +ATOM 48101 OH2 TIP3 13931 16.311 0.722 26.913 1.00 0.00 WAT +ATOM 48102 H1 TIP3 13931 16.567 1.033 27.790 1.00 0.00 WAT +ATOM 48103 H2 TIP3 13931 15.940 -0.154 27.118 1.00 0.00 WAT +ATOM 48104 OH2 TIP3 13932 13.383 -1.508 20.527 1.00 0.00 WAT +ATOM 48105 H1 TIP3 13932 13.682 -1.908 21.366 1.00 0.00 WAT +ATOM 48106 H2 TIP3 13932 13.497 -2.216 19.890 1.00 0.00 WAT +ATOM 48107 OH2 TIP3 13933 24.491 2.272 25.994 1.00 0.00 WAT +ATOM 48108 H1 TIP3 13933 24.901 1.531 25.498 1.00 0.00 WAT +ATOM 48109 H2 TIP3 13933 24.093 1.803 26.746 1.00 0.00 WAT +ATOM 48110 OH2 TIP3 13934 21.670 -1.711 21.013 1.00 0.00 WAT +ATOM 48111 H1 TIP3 13934 20.725 -1.884 21.169 1.00 0.00 WAT +ATOM 48112 H2 TIP3 13934 22.064 -2.020 21.845 1.00 0.00 WAT +ATOM 48113 OH2 TIP3 13935 16.234 -0.749 19.452 1.00 0.00 WAT +ATOM 48114 H1 TIP3 13935 15.361 -0.327 19.347 1.00 0.00 WAT +ATOM 48115 H2 TIP3 13935 16.292 -1.293 18.663 1.00 0.00 WAT +ATOM 48116 OH2 TIP3 13936 19.717 0.082 17.194 1.00 0.00 WAT +ATOM 48117 H1 TIP3 13936 20.638 -0.207 17.326 1.00 0.00 WAT +ATOM 48118 H2 TIP3 13936 19.773 0.639 16.412 1.00 0.00 WAT +ATOM 48119 OH2 TIP3 13937 26.052 -2.653 24.009 1.00 0.00 WAT +ATOM 48120 H1 TIP3 13937 25.416 -2.643 24.760 1.00 0.00 WAT +ATOM 48121 H2 TIP3 13937 25.460 -2.986 23.310 1.00 0.00 WAT +ATOM 48122 OH2 TIP3 13938 29.066 13.119 30.653 1.00 0.00 WAT +ATOM 48123 H1 TIP3 13938 29.293 13.608 29.844 1.00 0.00 WAT +ATOM 48124 H2 TIP3 13938 29.714 13.468 31.287 1.00 0.00 WAT +ATOM 48125 OH2 TIP3 13939 16.973 5.779 30.108 1.00 0.00 WAT +ATOM 48126 H1 TIP3 13939 17.641 5.826 30.826 1.00 0.00 WAT +ATOM 48127 H2 TIP3 13939 16.163 5.738 30.653 1.00 0.00 WAT +ATOM 48128 OH2 TIP3 13940 22.757 0.803 22.846 1.00 0.00 WAT +ATOM 48129 H1 TIP3 13940 23.358 0.255 22.323 1.00 0.00 WAT +ATOM 48130 H2 TIP3 13940 22.500 0.189 23.566 1.00 0.00 WAT +ATOM 48131 OH2 TIP3 13941 21.687 -0.712 25.022 1.00 0.00 WAT +ATOM 48132 H1 TIP3 13941 20.870 -0.188 25.084 1.00 0.00 WAT +ATOM 48133 H2 TIP3 13941 22.146 -0.503 25.861 1.00 0.00 WAT +ATOM 48134 OH2 TIP3 13942 29.086 4.726 25.692 1.00 0.00 WAT +ATOM 48135 H1 TIP3 13942 29.512 5.291 25.018 1.00 0.00 WAT +ATOM 48136 H2 TIP3 13942 28.187 4.615 25.331 1.00 0.00 WAT +ATOM 48137 OH2 TIP3 13943 23.551 5.711 28.220 1.00 0.00 WAT +ATOM 48138 H1 TIP3 13943 23.188 5.241 28.989 1.00 0.00 WAT +ATOM 48139 H2 TIP3 13943 23.068 6.550 28.266 1.00 0.00 WAT +ATOM 48140 OH2 TIP3 13944 27.077 0.224 16.034 1.00 0.00 WAT +ATOM 48141 H1 TIP3 13944 27.187 -0.128 16.929 1.00 0.00 WAT +ATOM 48142 H2 TIP3 13944 26.463 0.969 16.139 1.00 0.00 WAT +ATOM 48143 OH2 TIP3 13945 16.981 4.955 22.615 1.00 0.00 WAT +ATOM 48144 H1 TIP3 13945 17.557 4.861 21.836 1.00 0.00 WAT +ATOM 48145 H2 TIP3 13945 17.064 4.088 23.042 1.00 0.00 WAT +ATOM 48146 OH2 TIP3 13946 14.192 3.275 28.049 1.00 0.00 WAT +ATOM 48147 H1 TIP3 13946 14.343 2.836 28.910 1.00 0.00 WAT +ATOM 48148 H2 TIP3 13946 13.575 2.674 27.601 1.00 0.00 WAT +ATOM 48149 OH2 TIP3 13947 21.161 2.800 30.025 1.00 0.00 WAT +ATOM 48150 H1 TIP3 13947 20.812 2.517 29.163 1.00 0.00 WAT +ATOM 48151 H2 TIP3 13947 22.087 2.510 29.955 1.00 0.00 WAT +ATOM 48152 OH2 TIP3 13948 25.647 8.699 27.678 1.00 0.00 WAT +ATOM 48153 H1 TIP3 13948 24.729 8.361 27.648 1.00 0.00 WAT +ATOM 48154 H2 TIP3 13948 25.857 8.507 28.614 1.00 0.00 WAT +ATOM 48155 OH2 TIP3 13949 31.201 0.252 16.450 1.00 0.00 WAT +ATOM 48156 H1 TIP3 13949 30.744 -0.134 15.690 1.00 0.00 WAT +ATOM 48157 H2 TIP3 13949 31.227 1.204 16.220 1.00 0.00 WAT +ATOM 48158 OH2 TIP3 13950 31.668 6.317 29.332 1.00 0.00 WAT +ATOM 48159 H1 TIP3 13950 30.728 6.531 29.156 1.00 0.00 WAT +ATOM 48160 H2 TIP3 13950 32.005 6.155 28.432 1.00 0.00 WAT +ATOM 48161 OH2 TIP3 13951 29.429 8.852 16.637 1.00 0.00 WAT +ATOM 48162 H1 TIP3 13951 29.272 8.062 17.172 1.00 0.00 WAT +ATOM 48163 H2 TIP3 13951 29.978 8.528 15.909 1.00 0.00 WAT +ATOM 48164 OH2 TIP3 13952 26.634 4.262 23.967 1.00 0.00 WAT +ATOM 48165 H1 TIP3 13952 25.697 4.029 23.795 1.00 0.00 WAT +ATOM 48166 H2 TIP3 13952 27.075 3.496 23.555 1.00 0.00 WAT +ATOM 48167 OH2 TIP3 13953 19.380 8.226 20.237 1.00 0.00 WAT +ATOM 48168 H1 TIP3 13953 19.833 8.971 19.817 1.00 0.00 WAT +ATOM 48169 H2 TIP3 13953 18.613 8.101 19.659 1.00 0.00 WAT +ATOM 48170 OH2 TIP3 13954 21.347 10.231 25.997 1.00 0.00 WAT +ATOM 48171 H1 TIP3 13954 21.810 11.068 25.868 1.00 0.00 WAT +ATOM 48172 H2 TIP3 13954 21.891 9.792 26.672 1.00 0.00 WAT +ATOM 48173 OH2 TIP3 13955 19.764 11.137 19.308 1.00 0.00 WAT +ATOM 48174 H1 TIP3 13955 18.799 11.183 19.279 1.00 0.00 WAT +ATOM 48175 H2 TIP3 13955 20.010 12.066 19.469 1.00 0.00 WAT +ATOM 48176 OH2 TIP3 13956 24.851 6.295 25.439 1.00 0.00 WAT +ATOM 48177 H1 TIP3 13956 24.479 6.009 26.290 1.00 0.00 WAT +ATOM 48178 H2 TIP3 13956 25.484 5.588 25.244 1.00 0.00 WAT +ATOM 48179 OH2 TIP3 13957 26.780 7.287 14.509 1.00 0.00 WAT +ATOM 48180 H1 TIP3 13957 27.194 6.879 15.294 1.00 0.00 WAT +ATOM 48181 H2 TIP3 13957 25.848 7.137 14.709 1.00 0.00 WAT +ATOM 48182 OH2 TIP3 13958 27.759 10.484 27.838 1.00 0.00 WAT +ATOM 48183 H1 TIP3 13958 26.898 10.015 27.837 1.00 0.00 WAT +ATOM 48184 H2 TIP3 13958 27.594 11.372 27.471 1.00 0.00 WAT +ATOM 48185 OH2 TIP3 13959 31.630 11.548 15.036 1.00 0.00 WAT +ATOM 48186 H1 TIP3 13959 32.307 12.204 14.798 1.00 0.00 WAT +ATOM 48187 H2 TIP3 13959 30.850 12.134 15.057 1.00 0.00 WAT +ATOM 48188 OH2 TIP3 13960 15.511 -2.077 27.645 1.00 0.00 WAT +ATOM 48189 H1 TIP3 13960 14.599 -1.808 27.413 1.00 0.00 WAT +ATOM 48190 H2 TIP3 13960 15.356 -2.934 28.080 1.00 0.00 WAT +ATOM 48191 OH2 TIP3 13961 27.820 5.879 16.840 1.00 0.00 WAT +ATOM 48192 H1 TIP3 13961 27.550 5.158 17.436 1.00 0.00 WAT +ATOM 48193 H2 TIP3 13961 28.785 5.878 16.956 1.00 0.00 WAT +ATOM 48194 OH2 TIP3 13962 15.294 9.687 26.061 1.00 0.00 WAT +ATOM 48195 H1 TIP3 13962 15.544 8.767 26.236 1.00 0.00 WAT +ATOM 48196 H2 TIP3 13962 15.473 10.083 26.922 1.00 0.00 WAT +ATOM 48197 OH2 TIP3 13963 24.503 -2.244 26.197 1.00 0.00 WAT +ATOM 48198 H1 TIP3 13963 25.056 -1.970 26.942 1.00 0.00 WAT +ATOM 48199 H2 TIP3 13963 23.969 -2.964 26.592 1.00 0.00 WAT +ATOM 48200 OH2 TIP3 13964 23.097 9.592 16.464 1.00 0.00 WAT +ATOM 48201 H1 TIP3 13964 22.141 9.769 16.530 1.00 0.00 WAT +ATOM 48202 H2 TIP3 13964 23.311 10.019 15.623 1.00 0.00 WAT +ATOM 48203 OH2 TIP3 13965 22.408 -0.635 18.411 1.00 0.00 WAT +ATOM 48204 H1 TIP3 13965 23.314 -0.328 18.565 1.00 0.00 WAT +ATOM 48205 H2 TIP3 13965 22.130 -0.914 19.305 1.00 0.00 WAT +ATOM 48206 OH2 TIP3 13966 22.961 0.136 27.548 1.00 0.00 WAT +ATOM 48207 H1 TIP3 13966 22.920 0.634 28.383 1.00 0.00 WAT +ATOM 48208 H2 TIP3 13966 23.402 -0.672 27.842 1.00 0.00 WAT +ATOM 48209 OH2 TIP3 13967 23.411 -3.654 19.271 1.00 0.00 WAT +ATOM 48210 H1 TIP3 13967 23.046 -2.971 19.854 1.00 0.00 WAT +ATOM 48211 H2 TIP3 13967 24.132 -3.181 18.828 1.00 0.00 WAT +ATOM 48212 OH2 TIP3 13968 20.273 10.378 16.303 1.00 0.00 WAT +ATOM 48213 H1 TIP3 13968 20.083 11.187 15.796 1.00 0.00 WAT +ATOM 48214 H2 TIP3 13968 19.882 10.572 17.165 1.00 0.00 WAT +ATOM 48215 OH2 TIP3 13969 18.540 -2.777 16.028 1.00 0.00 WAT +ATOM 48216 H1 TIP3 13969 18.790 -1.854 16.115 1.00 0.00 WAT +ATOM 48217 H2 TIP3 13969 19.416 -3.202 16.034 1.00 0.00 WAT +ATOM 48218 OH2 TIP3 13970 29.168 -1.858 28.430 1.00 0.00 WAT +ATOM 48219 H1 TIP3 13970 28.203 -1.731 28.344 1.00 0.00 WAT +ATOM 48220 H2 TIP3 13970 29.354 -2.147 27.525 1.00 0.00 WAT +ATOM 48221 OH2 TIP3 13971 27.697 1.959 22.437 1.00 0.00 WAT +ATOM 48222 H1 TIP3 13971 26.863 1.491 22.223 1.00 0.00 WAT +ATOM 48223 H2 TIP3 13971 28.191 1.277 22.927 1.00 0.00 WAT +ATOM 48224 OH2 TIP3 13972 28.483 10.852 23.943 1.00 0.00 WAT +ATOM 48225 H1 TIP3 13972 28.483 11.637 23.349 1.00 0.00 WAT +ATOM 48226 H2 TIP3 13972 29.435 10.835 24.153 1.00 0.00 WAT +ATOM 48227 OH2 TIP3 13973 16.199 -4.821 22.364 1.00 0.00 WAT +ATOM 48228 H1 TIP3 13973 15.803 -5.280 21.618 1.00 0.00 WAT +ATOM 48229 H2 TIP3 13973 16.040 -5.485 23.059 1.00 0.00 WAT +ATOM 48230 OH2 TIP3 13974 14.605 11.732 30.278 1.00 0.00 WAT +ATOM 48231 H1 TIP3 13974 15.185 11.448 31.011 1.00 0.00 WAT +ATOM 48232 H2 TIP3 13974 14.215 10.879 30.003 1.00 0.00 WAT +ATOM 48233 OH2 TIP3 13975 19.307 10.832 32.030 1.00 0.00 WAT +ATOM 48234 H1 TIP3 13975 19.958 10.174 32.313 1.00 0.00 WAT +ATOM 48235 H2 TIP3 13975 19.062 10.497 31.152 1.00 0.00 WAT +ATOM 48236 OH2 TIP3 13976 23.221 10.042 13.595 1.00 0.00 WAT +ATOM 48237 H1 TIP3 13976 22.487 9.413 13.543 1.00 0.00 WAT +ATOM 48238 H2 TIP3 13976 23.846 9.690 12.947 1.00 0.00 WAT +ATOM 48239 OH2 TIP3 13977 25.879 8.988 30.579 1.00 0.00 WAT +ATOM 48240 H1 TIP3 13977 25.381 8.270 31.017 1.00 0.00 WAT +ATOM 48241 H2 TIP3 13977 26.465 9.279 31.303 1.00 0.00 WAT +ATOM 48242 OH2 TIP3 13978 28.052 9.979 13.829 1.00 0.00 WAT +ATOM 48243 H1 TIP3 13978 28.285 9.156 14.281 1.00 0.00 WAT +ATOM 48244 H2 TIP3 13978 28.731 10.040 13.134 1.00 0.00 WAT +ATOM 48245 OH2 TIP3 13979 14.553 5.369 31.393 1.00 0.00 WAT +ATOM 48246 H1 TIP3 13979 14.641 4.452 31.084 1.00 0.00 WAT +ATOM 48247 H2 TIP3 13979 13.783 5.667 30.872 1.00 0.00 WAT +ATOM 48248 OH2 TIP3 13980 21.312 5.581 30.660 1.00 0.00 WAT +ATOM 48249 H1 TIP3 13980 20.837 5.854 29.861 1.00 0.00 WAT +ATOM 48250 H2 TIP3 13980 21.289 4.604 30.605 1.00 0.00 WAT +ATOM 48251 OH2 TIP3 13981 26.562 5.119 28.072 1.00 0.00 WAT +ATOM 48252 H1 TIP3 13981 27.282 5.762 27.987 1.00 0.00 WAT +ATOM 48253 H2 TIP3 13981 25.767 5.673 28.142 1.00 0.00 WAT +ATOM 48254 OH2 TIP3 13982 15.415 2.501 30.575 1.00 0.00 WAT +ATOM 48255 H1 TIP3 13982 16.149 1.862 30.578 1.00 0.00 WAT +ATOM 48256 H2 TIP3 13982 15.377 2.721 31.522 1.00 0.00 WAT +ATOM 48257 OH2 TIP3 13983 19.077 1.608 27.988 1.00 0.00 WAT +ATOM 48258 H1 TIP3 13983 18.535 2.377 28.240 1.00 0.00 WAT +ATOM 48259 H2 TIP3 13983 19.714 2.010 27.372 1.00 0.00 WAT +ATOM 48260 OH2 TIP3 13984 24.377 4.325 31.498 1.00 0.00 WAT +ATOM 48261 H1 TIP3 13984 25.306 4.117 31.332 1.00 0.00 WAT +ATOM 48262 H2 TIP3 13984 24.089 3.547 31.999 1.00 0.00 WAT +ATOM 48263 OH2 TIP3 13985 30.277 4.334 13.304 1.00 0.00 WAT +ATOM 48264 H1 TIP3 13985 30.130 4.051 12.385 1.00 0.00 WAT +ATOM 48265 H2 TIP3 13985 30.246 5.305 13.173 1.00 0.00 WAT +ATOM 48266 OH2 TIP3 13986 19.690 -1.064 29.140 1.00 0.00 WAT +ATOM 48267 H1 TIP3 13986 19.721 -1.735 28.434 1.00 0.00 WAT +ATOM 48268 H2 TIP3 13986 19.432 -0.266 28.646 1.00 0.00 WAT +ATOM 48269 OH2 TIP3 13987 19.989 -2.607 26.583 1.00 0.00 WAT +ATOM 48270 H1 TIP3 13987 20.499 -2.094 25.932 1.00 0.00 WAT +ATOM 48271 H2 TIP3 13987 19.077 -2.572 26.231 1.00 0.00 WAT +ATOM 48272 OH2 TIP3 13988 21.551 2.850 27.014 1.00 0.00 WAT +ATOM 48273 H1 TIP3 13988 22.365 2.751 26.505 1.00 0.00 WAT +ATOM 48274 H2 TIP3 13988 21.219 3.711 26.691 1.00 0.00 WAT +ATOM 48275 OH2 TIP3 13989 26.138 0.755 31.719 1.00 0.00 WAT +ATOM 48276 H1 TIP3 13989 26.297 -0.164 31.994 1.00 0.00 WAT +ATOM 48277 H2 TIP3 13989 27.027 1.133 31.787 1.00 0.00 WAT +ATOM 48278 OH2 TIP3 13990 27.141 3.561 30.268 1.00 0.00 WAT +ATOM 48279 H1 TIP3 13990 26.748 4.150 29.594 1.00 0.00 WAT +ATOM 48280 H2 TIP3 13990 28.003 3.375 29.855 1.00 0.00 WAT +ATOM 48281 OH2 TIP3 13991 17.860 0.782 30.902 1.00 0.00 WAT +ATOM 48282 H1 TIP3 13991 17.331 -0.033 30.956 1.00 0.00 WAT +ATOM 48283 H2 TIP3 13991 18.690 0.453 30.526 1.00 0.00 WAT +ATOM 48284 OH2 TIP3 13992 20.737 -5.278 26.944 1.00 0.00 WAT +ATOM 48285 H1 TIP3 13992 20.531 -4.331 26.794 1.00 0.00 WAT +ATOM 48286 H2 TIP3 13992 20.027 -5.711 26.430 1.00 0.00 WAT +ATOM 48287 OH2 TIP3 13993 21.988 -0.712 30.729 1.00 0.00 WAT +ATOM 48288 H1 TIP3 13993 21.649 -0.908 31.621 1.00 0.00 WAT +ATOM 48289 H2 TIP3 13993 21.180 -0.913 30.209 1.00 0.00 WAT +ATOM 48290 OH2 TIP3 13994 24.511 -1.691 29.570 1.00 0.00 WAT +ATOM 48291 H1 TIP3 13994 23.642 -1.604 30.008 1.00 0.00 WAT +ATOM 48292 H2 TIP3 13994 24.975 -2.291 30.185 1.00 0.00 WAT +ATOM 48293 OH2 TIP3 13995 26.381 -3.173 31.328 1.00 0.00 WAT +ATOM 48294 H1 TIP3 13995 26.216 -4.123 31.491 1.00 0.00 WAT +ATOM 48295 H2 TIP3 13995 26.180 -2.761 32.189 1.00 0.00 WAT +ATOM 48296 OH2 TIP3 13996 16.551 -1.781 30.782 1.00 0.00 WAT +ATOM 48297 H1 TIP3 13996 16.448 -2.495 30.131 1.00 0.00 WAT +ATOM 48298 H2 TIP3 13996 16.319 -2.240 31.611 1.00 0.00 WAT +ATOM 48299 OH2 TIP3 13997 20.561 -5.791 29.770 1.00 0.00 WAT +ATOM 48300 H1 TIP3 13997 21.146 -6.563 29.829 1.00 0.00 WAT +ATOM 48301 H2 TIP3 13997 20.535 -5.648 28.805 1.00 0.00 WAT +ATOM 48302 OH2 TIP3 13998 21.515 -3.917 31.607 1.00 0.00 WAT +ATOM 48303 H1 TIP3 13998 21.185 -4.518 30.908 1.00 0.00 WAT +ATOM 48304 H2 TIP3 13998 20.814 -3.247 31.656 1.00 0.00 WAT +ATOM 48305 OH2 TIP3 13999 20.554 12.991 15.039 1.00 0.00 WAT +ATOM 48306 H1 TIP3 13999 21.510 13.043 15.182 1.00 0.00 WAT +ATOM 48307 H2 TIP3 13999 20.446 13.598 14.297 1.00 0.00 WAT +ATOM 48308 OH2 TIP3 14000 13.279 12.688 19.356 1.00 0.00 WAT +ATOM 48309 H1 TIP3 14000 12.683 12.204 18.758 1.00 0.00 WAT +ATOM 48310 H2 TIP3 14000 13.539 11.982 19.980 1.00 0.00 WAT +ATOM 48311 OH2 TIP3 14001 13.971 10.697 21.263 1.00 0.00 WAT +ATOM 48312 H1 TIP3 14001 13.623 9.830 21.524 1.00 0.00 WAT +ATOM 48313 H2 TIP3 14001 14.229 11.040 22.130 1.00 0.00 WAT +ATOM 48314 OH2 TIP3 14002 31.401 11.941 24.387 1.00 0.00 WAT +ATOM 48315 H1 TIP3 14002 31.584 11.961 25.340 1.00 0.00 WAT +ATOM 48316 H2 TIP3 14002 32.221 12.310 24.031 1.00 0.00 WAT +ATOM 48317 OH2 TIP3 14003 31.304 11.429 27.220 1.00 0.00 WAT +ATOM 48318 H1 TIP3 14003 30.823 10.649 26.888 1.00 0.00 WAT +ATOM 48319 H2 TIP3 14003 31.850 11.013 27.906 1.00 0.00 WAT +ATOM 48320 OH2 TIP3 14004 29.303 6.861 31.525 1.00 0.00 WAT +ATOM 48321 H1 TIP3 14004 28.424 6.911 31.940 1.00 0.00 WAT +ATOM 48322 H2 TIP3 14004 29.748 7.654 31.873 1.00 0.00 WAT +ATOM 48323 OH2 TIP3 14005 30.709 5.718 17.308 1.00 0.00 WAT +ATOM 48324 H1 TIP3 14005 31.604 6.085 17.457 1.00 0.00 WAT +ATOM 48325 H2 TIP3 14005 30.635 5.122 18.068 1.00 0.00 WAT +ATOM 48326 OH2 TIP3 14006 31.392 3.756 19.508 1.00 0.00 WAT +ATOM 48327 H1 TIP3 14006 30.643 3.187 19.779 1.00 0.00 WAT +ATOM 48328 H2 TIP3 14006 31.980 3.745 20.268 1.00 0.00 WAT +ATOM 48329 OH2 TIP3 14007 30.921 6.209 24.197 1.00 0.00 WAT +ATOM 48330 H1 TIP3 14007 31.521 5.824 23.551 1.00 0.00 WAT +ATOM 48331 H2 TIP3 14007 31.035 7.159 24.010 1.00 0.00 WAT +ATOM 48332 OH2 TIP3 14008 29.659 9.110 26.409 1.00 0.00 WAT +ATOM 48333 H1 TIP3 14008 28.981 9.540 26.969 1.00 0.00 WAT +ATOM 48334 H2 TIP3 14008 29.116 8.700 25.706 1.00 0.00 WAT +ATOM 48335 OH2 TIP3 14009 31.313 3.162 15.828 1.00 0.00 WAT +ATOM 48336 H1 TIP3 14009 30.898 3.500 15.011 1.00 0.00 WAT +ATOM 48337 H2 TIP3 14009 31.303 3.965 16.375 1.00 0.00 WAT +ATOM 48338 OH2 TIP3 14010 29.412 1.810 20.220 1.00 0.00 WAT +ATOM 48339 H1 TIP3 14010 29.120 0.973 19.807 1.00 0.00 WAT +ATOM 48340 H2 TIP3 14010 28.731 1.943 20.912 1.00 0.00 WAT +ATOM 48341 OH2 TIP3 14011 13.965 4.041 23.718 1.00 0.00 WAT +ATOM 48342 H1 TIP3 14011 14.184 4.131 22.774 1.00 0.00 WAT +ATOM 48343 H2 TIP3 14011 14.846 3.831 24.092 1.00 0.00 WAT +ATOM 48344 OH2 TIP3 14012 29.749 3.773 29.088 1.00 0.00 WAT +ATOM 48345 H1 TIP3 14012 30.430 3.143 29.395 1.00 0.00 WAT +ATOM 48346 H2 TIP3 14012 30.218 4.615 29.099 1.00 0.00 WAT +ATOM 48347 OH2 TIP3 14013 31.272 1.905 30.391 1.00 0.00 WAT +ATOM 48348 H1 TIP3 14013 30.480 1.355 30.192 1.00 0.00 WAT +ATOM 48349 H2 TIP3 14013 31.974 1.227 30.388 1.00 0.00 WAT +ATOM 48350 OH2 TIP3 14014 28.894 -0.558 18.331 1.00 0.00 WAT +ATOM 48351 H1 TIP3 14014 29.002 -1.533 18.320 1.00 0.00 WAT +ATOM 48352 H2 TIP3 14014 29.620 -0.286 17.750 1.00 0.00 WAT +ATOM 48353 OH2 TIP3 14015 29.683 0.269 23.643 1.00 0.00 WAT +ATOM 48354 H1 TIP3 14015 30.481 0.022 24.120 1.00 0.00 WAT +ATOM 48355 H2 TIP3 14015 29.054 0.072 24.361 1.00 0.00 WAT +ATOM 48356 OH2 TIP3 14016 29.370 0.632 26.460 1.00 0.00 WAT +ATOM 48357 H1 TIP3 14016 28.496 0.921 26.782 1.00 0.00 WAT +ATOM 48358 H2 TIP3 14016 29.805 1.481 26.279 1.00 0.00 WAT +ATOM 48359 OH2 TIP3 14017 13.866 -0.577 30.161 1.00 0.00 WAT +ATOM 48360 H1 TIP3 14017 14.802 -0.837 30.223 1.00 0.00 WAT +ATOM 48361 H2 TIP3 14017 13.421 -1.440 30.236 1.00 0.00 WAT +ATOM 48362 OH2 TIP3 14018 31.898 -5.177 31.762 1.00 0.00 WAT +ATOM 48363 H1 TIP3 14018 32.342 -5.874 31.245 1.00 0.00 WAT +ATOM 48364 H2 TIP3 14018 31.971 -4.399 31.180 1.00 0.00 WAT +ATOM 48365 OH2 TIP3 14019 29.187 -3.430 18.280 1.00 0.00 WAT +ATOM 48366 H1 TIP3 14019 29.242 -3.931 19.110 1.00 0.00 WAT +ATOM 48367 H2 TIP3 14019 28.529 -3.961 17.799 1.00 0.00 WAT +ATOM 48368 OH2 TIP3 14020 14.658 -2.280 22.947 1.00 0.00 WAT +ATOM 48369 H1 TIP3 14020 15.097 -3.142 23.017 1.00 0.00 WAT +ATOM 48370 H2 TIP3 14020 15.321 -1.684 23.338 1.00 0.00 WAT +ATOM 48371 OH2 TIP3 14021 13.243 0.402 24.042 1.00 0.00 WAT +ATOM 48372 H1 TIP3 14021 13.709 0.441 23.194 1.00 0.00 WAT +ATOM 48373 H2 TIP3 14021 13.541 1.219 24.461 1.00 0.00 WAT +ATOM 48374 OH2 TIP3 14022 31.329 -3.111 29.996 1.00 0.00 WAT +ATOM 48375 H1 TIP3 14022 30.443 -2.725 30.126 1.00 0.00 WAT +ATOM 48376 H2 TIP3 14022 31.154 -3.693 29.234 1.00 0.00 WAT +ATOM 48377 OH2 TIP3 14023 31.334 -2.829 14.825 1.00 0.00 WAT +ATOM 48378 H1 TIP3 14023 31.467 -3.689 14.392 1.00 0.00 WAT +ATOM 48379 H2 TIP3 14023 32.242 -2.514 14.941 1.00 0.00 WAT +ATOM 48380 OH2 TIP3 14024 13.936 -3.151 17.962 1.00 0.00 WAT +ATOM 48381 H1 TIP3 14024 12.966 -3.272 18.004 1.00 0.00 WAT +ATOM 48382 H2 TIP3 14024 14.000 -2.558 17.200 1.00 0.00 WAT +ATOM 48383 OH2 TIP3 14025 28.325 11.966 20.206 1.00 0.00 WAT +ATOM 48384 H1 TIP3 14025 28.755 11.799 19.351 1.00 0.00 WAT +ATOM 48385 H2 TIP3 14025 29.003 12.464 20.678 1.00 0.00 WAT +ATOM 48386 OH2 TIP3 14026 13.718 -4.341 26.218 1.00 0.00 WAT +ATOM 48387 H1 TIP3 14026 13.011 -4.621 26.816 1.00 0.00 WAT +ATOM 48388 H2 TIP3 14026 13.210 -3.826 25.562 1.00 0.00 WAT +ATOM 48389 OH2 TIP3 14027 15.703 8.790 30.890 1.00 0.00 WAT +ATOM 48390 H1 TIP3 14027 14.960 8.732 30.271 1.00 0.00 WAT +ATOM 48391 H2 TIP3 14027 15.268 8.677 31.747 1.00 0.00 WAT +ATOM 48392 OH2 TIP3 14028 18.549 9.726 26.571 1.00 0.00 WAT +ATOM 48393 H1 TIP3 14028 18.211 10.572 26.231 1.00 0.00 WAT +ATOM 48394 H2 TIP3 14028 19.498 9.823 26.368 1.00 0.00 WAT +ATOM 48395 OH2 TIP3 14029 23.076 11.004 29.578 1.00 0.00 WAT +ATOM 48396 H1 TIP3 14029 23.117 10.855 30.540 1.00 0.00 WAT +ATOM 48397 H2 TIP3 14029 23.911 11.475 29.412 1.00 0.00 WAT +ATOM 48398 OH2 TIP3 14030 25.431 12.367 28.691 1.00 0.00 WAT +ATOM 48399 H1 TIP3 14030 26.083 11.678 28.853 1.00 0.00 WAT +ATOM 48400 H2 TIP3 14030 25.567 12.902 29.498 1.00 0.00 WAT +ATOM 48401 OH2 TIP3 14031 30.205 -4.895 27.976 1.00 0.00 WAT +ATOM 48402 H1 TIP3 14031 29.352 -4.751 27.528 1.00 0.00 WAT +ATOM 48403 H2 TIP3 14031 30.402 -5.814 27.699 1.00 0.00 WAT +ATOM 48404 OH2 TIP3 14032 15.936 12.698 26.908 1.00 0.00 WAT +ATOM 48405 H1 TIP3 14032 15.325 13.310 26.458 1.00 0.00 WAT +ATOM 48406 H2 TIP3 14032 15.573 12.713 27.801 1.00 0.00 WAT +ATOM 48407 OH2 TIP3 14033 18.441 12.475 25.476 1.00 0.00 WAT +ATOM 48408 H1 TIP3 14033 17.567 12.627 25.891 1.00 0.00 WAT +ATOM 48409 H2 TIP3 14033 18.438 13.141 24.765 1.00 0.00 WAT +ATOM 48410 OH2 TIP3 14034 23.664 12.286 24.987 1.00 0.00 WAT +ATOM 48411 H1 TIP3 14034 23.051 12.676 24.330 1.00 0.00 WAT +ATOM 48412 H2 TIP3 14034 23.592 12.969 25.685 1.00 0.00 WAT +ATOM 48413 OH2 TIP3 14035 27.650 12.698 25.955 1.00 0.00 WAT +ATOM 48414 H1 TIP3 14035 27.617 13.675 25.986 1.00 0.00 WAT +ATOM 48415 H2 TIP3 14035 28.265 12.590 25.206 1.00 0.00 WAT +ATOM 48416 OH2 TIP3 14036 15.516 11.501 23.866 1.00 0.00 WAT +ATOM 48417 H1 TIP3 14036 15.486 10.980 24.697 1.00 0.00 WAT +ATOM 48418 H2 TIP3 14036 16.240 11.039 23.392 1.00 0.00 WAT +ATOM 48419 OH2 TIP3 14037 17.477 10.224 22.312 1.00 0.00 WAT +ATOM 48420 H1 TIP3 14037 17.358 9.271 22.503 1.00 0.00 WAT +ATOM 48421 H2 TIP3 14037 18.409 10.358 22.548 1.00 0.00 WAT +ATOM 48422 OH2 TIP3 14038 20.389 10.733 23.170 1.00 0.00 WAT +ATOM 48423 H1 TIP3 14038 20.434 9.800 22.896 1.00 0.00 WAT +ATOM 48424 H2 TIP3 14038 20.305 10.634 24.131 1.00 0.00 WAT +ATOM 48425 OH2 TIP3 14039 23.615 -3.421 22.451 1.00 0.00 WAT +ATOM 48426 H1 TIP3 14039 22.921 -4.089 22.612 1.00 0.00 WAT +ATOM 48427 H2 TIP3 14039 24.153 -3.861 21.778 1.00 0.00 WAT +ATOM 48428 OH2 TIP3 14040 28.564 -5.352 22.920 1.00 0.00 WAT +ATOM 48429 H1 TIP3 14040 29.297 -4.927 22.439 1.00 0.00 WAT +ATOM 48430 H2 TIP3 14040 27.785 -5.097 22.389 1.00 0.00 WAT +ATOM 48431 OH2 TIP3 14041 30.744 -4.246 20.917 1.00 0.00 WAT +ATOM 48432 H1 TIP3 14041 31.263 -4.611 20.185 1.00 0.00 WAT +ATOM 48433 H2 TIP3 14041 30.895 -3.294 20.833 1.00 0.00 WAT +ATOM 48434 OH2 TIP3 14042 20.396 -4.853 19.965 1.00 0.00 WAT +ATOM 48435 H1 TIP3 14042 21.294 -4.635 19.680 1.00 0.00 WAT +ATOM 48436 H2 TIP3 14042 20.518 -5.040 20.901 1.00 0.00 WAT +ATOM 48437 OH2 TIP3 14043 26.148 -4.913 21.340 1.00 0.00 WAT +ATOM 48438 H1 TIP3 14043 26.144 -4.971 20.373 1.00 0.00 WAT +ATOM 48439 H2 TIP3 14043 25.611 -5.692 21.586 1.00 0.00 WAT +ATOM 48440 OH2 TIP3 14044 21.328 -3.181 16.921 1.00 0.00 WAT +ATOM 48441 H1 TIP3 14044 21.935 -3.814 17.319 1.00 0.00 WAT +ATOM 48442 H2 TIP3 14044 21.848 -2.373 16.947 1.00 0.00 WAT +ATOM 48443 OH2 TIP3 14045 23.549 12.430 15.076 1.00 0.00 WAT +ATOM 48444 H1 TIP3 14045 24.520 12.450 15.037 1.00 0.00 WAT +ATOM 48445 H2 TIP3 14045 23.355 11.769 14.384 1.00 0.00 WAT +ATOM 48446 OH2 TIP3 14046 30.128 11.618 17.783 1.00 0.00 WAT +ATOM 48447 H1 TIP3 14046 29.882 10.780 17.343 1.00 0.00 WAT +ATOM 48448 H2 TIP3 14046 30.066 12.245 17.042 1.00 0.00 WAT +ATOM 48449 OH2 TIP3 14047 15.756 -4.451 29.577 1.00 0.00 WAT +ATOM 48450 H1 TIP3 14047 15.344 -5.265 29.917 1.00 0.00 WAT +ATOM 48451 H2 TIP3 14047 16.677 -4.588 29.849 1.00 0.00 WAT +ATOM 48452 OH2 TIP3 14048 18.134 -5.079 31.297 1.00 0.00 WAT +ATOM 48453 H1 TIP3 14048 18.953 -5.437 30.901 1.00 0.00 WAT +ATOM 48454 H2 TIP3 14048 17.779 -5.871 31.733 1.00 0.00 WAT +ATOM 48455 OH2 TIP3 14049 16.669 12.148 14.078 1.00 0.00 WAT +ATOM 48456 H1 TIP3 14049 15.957 12.227 14.740 1.00 0.00 WAT +ATOM 48457 H2 TIP3 14049 16.803 11.194 14.055 1.00 0.00 WAT +ATOM 48458 OH2 TIP3 14050 26.256 -5.977 31.457 1.00 0.00 WAT +ATOM 48459 H1 TIP3 14050 26.272 -6.390 32.342 1.00 0.00 WAT +ATOM 48460 H2 TIP3 14050 27.202 -5.999 31.220 1.00 0.00 WAT +ATOM 48461 OH2 TIP3 14051 29.655 10.386 30.107 1.00 0.00 WAT +ATOM 48462 H1 TIP3 14051 28.875 10.165 29.572 1.00 0.00 WAT +ATOM 48463 H2 TIP3 14051 29.446 11.303 30.373 1.00 0.00 WAT +ATOM 48464 OH2 TIP3 14052 42.067 3.263 23.407 1.00 0.00 WAT +ATOM 48465 H1 TIP3 14052 42.862 3.364 23.960 1.00 0.00 WAT +ATOM 48466 H2 TIP3 14052 42.440 3.043 22.547 1.00 0.00 WAT +ATOM 48467 OH2 TIP3 14053 35.050 3.144 25.050 1.00 0.00 WAT +ATOM 48468 H1 TIP3 14053 35.072 2.360 25.631 1.00 0.00 WAT +ATOM 48469 H2 TIP3 14053 35.819 3.629 25.389 1.00 0.00 WAT +ATOM 48470 OH2 TIP3 14054 35.810 7.674 23.470 1.00 0.00 WAT +ATOM 48471 H1 TIP3 14054 35.568 6.761 23.229 1.00 0.00 WAT +ATOM 48472 H2 TIP3 14054 36.717 7.544 23.787 1.00 0.00 WAT +ATOM 48473 OH2 TIP3 14055 32.579 1.169 19.114 1.00 0.00 WAT +ATOM 48474 H1 TIP3 14055 32.318 2.037 18.768 1.00 0.00 WAT +ATOM 48475 H2 TIP3 14055 32.115 0.576 18.504 1.00 0.00 WAT +ATOM 48476 OH2 TIP3 14056 41.205 6.026 24.008 1.00 0.00 WAT +ATOM 48477 H1 TIP3 14056 41.433 5.225 23.498 1.00 0.00 WAT +ATOM 48478 H2 TIP3 14056 42.025 6.164 24.498 1.00 0.00 WAT +ATOM 48479 OH2 TIP3 14057 37.427 -1.658 21.603 1.00 0.00 WAT +ATOM 48480 H1 TIP3 14057 37.591 -0.807 21.155 1.00 0.00 WAT +ATOM 48481 H2 TIP3 14057 37.106 -2.190 20.852 1.00 0.00 WAT +ATOM 48482 OH2 TIP3 14058 39.467 2.408 21.527 1.00 0.00 WAT +ATOM 48483 H1 TIP3 14058 40.245 1.905 21.846 1.00 0.00 WAT +ATOM 48484 H2 TIP3 14058 39.000 1.713 21.029 1.00 0.00 WAT +ATOM 48485 OH2 TIP3 14059 36.228 -2.646 25.492 1.00 0.00 WAT +ATOM 48486 H1 TIP3 14059 35.875 -2.001 24.860 1.00 0.00 WAT +ATOM 48487 H2 TIP3 14059 35.569 -2.586 26.214 1.00 0.00 WAT +ATOM 48488 OH2 TIP3 14060 39.149 4.966 25.812 1.00 0.00 WAT +ATOM 48489 H1 TIP3 14060 38.424 5.569 26.074 1.00 0.00 WAT +ATOM 48490 H2 TIP3 14060 39.812 5.579 25.452 1.00 0.00 WAT +ATOM 48491 OH2 TIP3 14061 35.549 -0.527 23.485 1.00 0.00 WAT +ATOM 48492 H1 TIP3 14061 36.212 0.010 23.968 1.00 0.00 WAT +ATOM 48493 H2 TIP3 14061 36.101 -0.839 22.742 1.00 0.00 WAT +ATOM 48494 OH2 TIP3 14062 37.132 6.878 26.476 1.00 0.00 WAT +ATOM 48495 H1 TIP3 14062 37.126 7.827 26.250 1.00 0.00 WAT +ATOM 48496 H2 TIP3 14062 36.292 6.811 26.968 1.00 0.00 WAT +ATOM 48497 OH2 TIP3 14063 33.410 6.595 17.433 1.00 0.00 WAT +ATOM 48498 H1 TIP3 14063 33.291 7.066 16.587 1.00 0.00 WAT +ATOM 48499 H2 TIP3 14063 33.622 7.315 18.062 1.00 0.00 WAT +ATOM 48500 OH2 TIP3 14064 40.426 -5.392 22.797 1.00 0.00 WAT +ATOM 48501 H1 TIP3 14064 40.178 -6.334 22.816 1.00 0.00 WAT +ATOM 48502 H2 TIP3 14064 39.637 -4.979 23.204 1.00 0.00 WAT +ATOM 48503 OH2 TIP3 14065 42.693 3.442 17.464 1.00 0.00 WAT +ATOM 48504 H1 TIP3 14065 41.995 4.102 17.304 1.00 0.00 WAT +ATOM 48505 H2 TIP3 14065 43.307 3.642 16.757 1.00 0.00 WAT +ATOM 48506 OH2 TIP3 14066 42.891 1.886 14.661 1.00 0.00 WAT +ATOM 48507 H1 TIP3 14066 43.715 1.856 15.169 1.00 0.00 WAT +ATOM 48508 H2 TIP3 14066 42.964 1.114 14.089 1.00 0.00 WAT +ATOM 48509 OH2 TIP3 14067 37.634 4.349 20.399 1.00 0.00 WAT +ATOM 48510 H1 TIP3 14067 37.276 3.896 19.610 1.00 0.00 WAT +ATOM 48511 H2 TIP3 14067 38.249 3.677 20.750 1.00 0.00 WAT +ATOM 48512 OH2 TIP3 14068 39.001 7.798 23.133 1.00 0.00 WAT +ATOM 48513 H1 TIP3 14068 38.895 7.332 22.292 1.00 0.00 WAT +ATOM 48514 H2 TIP3 14068 39.760 7.320 23.520 1.00 0.00 WAT +ATOM 48515 OH2 TIP3 14069 38.068 3.228 23.866 1.00 0.00 WAT +ATOM 48516 H1 TIP3 14069 38.700 3.120 23.126 1.00 0.00 WAT +ATOM 48517 H2 TIP3 14069 38.571 3.788 24.489 1.00 0.00 WAT +ATOM 48518 OH2 TIP3 14070 39.045 7.518 28.713 1.00 0.00 WAT +ATOM 48519 H1 TIP3 14070 38.520 8.149 29.234 1.00 0.00 WAT +ATOM 48520 H2 TIP3 14070 38.395 7.223 28.051 1.00 0.00 WAT +ATOM 48521 OH2 TIP3 14071 35.937 3.908 27.836 1.00 0.00 WAT +ATOM 48522 H1 TIP3 14071 35.992 4.437 28.652 1.00 0.00 WAT +ATOM 48523 H2 TIP3 14071 34.987 3.722 27.783 1.00 0.00 WAT +ATOM 48524 OH2 TIP3 14072 42.079 9.820 19.858 1.00 0.00 WAT +ATOM 48525 H1 TIP3 14072 42.999 9.918 20.160 1.00 0.00 WAT +ATOM 48526 H2 TIP3 14072 42.112 10.148 18.943 1.00 0.00 WAT +ATOM 48527 OH2 TIP3 14073 37.104 9.664 29.557 1.00 0.00 WAT +ATOM 48528 H1 TIP3 14073 36.986 9.667 28.592 1.00 0.00 WAT +ATOM 48529 H2 TIP3 14073 36.227 9.386 29.887 1.00 0.00 WAT +ATOM 48530 OH2 TIP3 14074 36.513 3.089 17.936 1.00 0.00 WAT +ATOM 48531 H1 TIP3 14074 36.325 3.850 17.362 1.00 0.00 WAT +ATOM 48532 H2 TIP3 14074 35.871 2.439 17.628 1.00 0.00 WAT +ATOM 48533 OH2 TIP3 14075 32.586 5.740 26.624 1.00 0.00 WAT +ATOM 48534 H1 TIP3 14075 32.021 5.719 25.830 1.00 0.00 WAT +ATOM 48535 H2 TIP3 14075 32.697 4.796 26.854 1.00 0.00 WAT +ATOM 48536 OH2 TIP3 14076 32.599 8.644 23.626 1.00 0.00 WAT +ATOM 48537 H1 TIP3 14076 33.539 8.408 23.658 1.00 0.00 WAT +ATOM 48538 H2 TIP3 14076 32.553 9.298 24.339 1.00 0.00 WAT +ATOM 48539 OH2 TIP3 14077 41.709 8.546 28.177 1.00 0.00 WAT +ATOM 48540 H1 TIP3 14077 41.791 9.387 28.646 1.00 0.00 WAT +ATOM 48541 H2 TIP3 14077 40.824 8.225 28.438 1.00 0.00 WAT +ATOM 48542 OH2 TIP3 14078 41.959 12.336 18.331 1.00 0.00 WAT +ATOM 48543 H1 TIP3 14078 41.983 12.191 17.372 1.00 0.00 WAT +ATOM 48544 H2 TIP3 14078 42.094 13.291 18.399 1.00 0.00 WAT +ATOM 48545 OH2 TIP3 14079 35.767 11.453 19.758 1.00 0.00 WAT +ATOM 48546 H1 TIP3 14079 35.875 11.012 20.624 1.00 0.00 WAT +ATOM 48547 H2 TIP3 14079 34.919 11.093 19.460 1.00 0.00 WAT +ATOM 48548 OH2 TIP3 14080 34.753 7.306 27.910 1.00 0.00 WAT +ATOM 48549 H1 TIP3 14080 35.026 6.854 28.737 1.00 0.00 WAT +ATOM 48550 H2 TIP3 14080 34.044 6.732 27.573 1.00 0.00 WAT +ATOM 48551 OH2 TIP3 14081 37.951 -4.252 23.694 1.00 0.00 WAT +ATOM 48552 H1 TIP3 14081 37.148 -4.319 23.152 1.00 0.00 WAT +ATOM 48553 H2 TIP3 14081 37.721 -3.469 24.222 1.00 0.00 WAT +ATOM 48554 OH2 TIP3 14082 42.336 -4.879 27.935 1.00 0.00 WAT +ATOM 48555 H1 TIP3 14082 42.465 -5.575 28.598 1.00 0.00 WAT +ATOM 48556 H2 TIP3 14082 41.428 -5.083 27.630 1.00 0.00 WAT +ATOM 48557 OH2 TIP3 14083 42.330 -2.078 14.711 1.00 0.00 WAT +ATOM 48558 H1 TIP3 14083 41.668 -2.266 15.390 1.00 0.00 WAT +ATOM 48559 H2 TIP3 14083 42.064 -2.705 14.022 1.00 0.00 WAT +ATOM 48560 OH2 TIP3 14084 37.641 0.499 25.034 1.00 0.00 WAT +ATOM 48561 H1 TIP3 14084 37.203 0.624 25.892 1.00 0.00 WAT +ATOM 48562 H2 TIP3 14084 37.820 1.412 24.746 1.00 0.00 WAT +ATOM 48563 OH2 TIP3 14085 37.740 0.620 19.991 1.00 0.00 WAT +ATOM 48564 H1 TIP3 14085 36.775 0.503 19.885 1.00 0.00 WAT +ATOM 48565 H2 TIP3 14085 38.050 0.442 19.083 1.00 0.00 WAT +ATOM 48566 OH2 TIP3 14086 42.700 0.992 19.343 1.00 0.00 WAT +ATOM 48567 H1 TIP3 14086 42.801 1.936 19.135 1.00 0.00 WAT +ATOM 48568 H2 TIP3 14086 43.600 0.663 19.467 1.00 0.00 WAT +ATOM 48569 OH2 TIP3 14087 42.496 1.457 30.314 1.00 0.00 WAT +ATOM 48570 H1 TIP3 14087 41.941 0.654 30.447 1.00 0.00 WAT +ATOM 48571 H2 TIP3 14087 43.371 1.023 30.288 1.00 0.00 WAT +ATOM 48572 OH2 TIP3 14088 35.086 0.737 26.941 1.00 0.00 WAT +ATOM 48573 H1 TIP3 14088 35.466 1.022 27.781 1.00 0.00 WAT +ATOM 48574 H2 TIP3 14088 34.827 -0.179 27.150 1.00 0.00 WAT +ATOM 48575 OH2 TIP3 14089 38.625 -1.638 13.527 1.00 0.00 WAT +ATOM 48576 H1 TIP3 14089 38.201 -2.055 14.300 1.00 0.00 WAT +ATOM 48577 H2 TIP3 14089 37.880 -1.502 12.928 1.00 0.00 WAT +ATOM 48578 OH2 TIP3 14090 32.051 -1.593 20.646 1.00 0.00 WAT +ATOM 48579 H1 TIP3 14090 32.642 -1.927 21.345 1.00 0.00 WAT +ATOM 48580 H2 TIP3 14090 32.332 -2.099 19.860 1.00 0.00 WAT +ATOM 48581 OH2 TIP3 14091 33.510 -1.400 16.275 1.00 0.00 WAT +ATOM 48582 H1 TIP3 14091 34.080 -0.935 15.628 1.00 0.00 WAT +ATOM 48583 H2 TIP3 14091 32.807 -0.742 16.408 1.00 0.00 WAT +ATOM 48584 OH2 TIP3 14092 43.446 2.014 26.325 1.00 0.00 WAT +ATOM 48585 H1 TIP3 14092 43.776 1.358 25.677 1.00 0.00 WAT +ATOM 48586 H2 TIP3 14092 42.738 1.492 26.734 1.00 0.00 WAT +ATOM 48587 OH2 TIP3 14093 40.470 -1.975 21.009 1.00 0.00 WAT +ATOM 48588 H1 TIP3 14093 39.539 -1.889 21.272 1.00 0.00 WAT +ATOM 48589 H2 TIP3 14093 40.909 -1.802 21.858 1.00 0.00 WAT +ATOM 48590 OH2 TIP3 14094 35.125 -0.467 19.906 1.00 0.00 WAT +ATOM 48591 H1 TIP3 14094 34.283 -0.230 19.495 1.00 0.00 WAT +ATOM 48592 H2 TIP3 14094 35.401 -1.273 19.432 1.00 0.00 WAT +ATOM 48593 OH2 TIP3 14095 38.689 -0.228 17.338 1.00 0.00 WAT +ATOM 48594 H1 TIP3 14095 39.653 -0.123 17.410 1.00 0.00 WAT +ATOM 48595 H2 TIP3 14095 38.441 0.383 16.622 1.00 0.00 WAT +ATOM 48596 OH2 TIP3 14096 37.219 1.043 15.129 1.00 0.00 WAT +ATOM 48597 H1 TIP3 14096 36.618 0.756 14.424 1.00 0.00 WAT +ATOM 48598 H2 TIP3 14096 38.031 1.197 14.619 1.00 0.00 WAT +ATOM 48599 OH2 TIP3 14097 35.825 5.785 30.099 1.00 0.00 WAT +ATOM 48600 H1 TIP3 14097 36.499 5.856 30.808 1.00 0.00 WAT +ATOM 48601 H2 TIP3 14097 35.019 5.736 30.652 1.00 0.00 WAT +ATOM 48602 OH2 TIP3 14098 41.395 0.423 22.427 1.00 0.00 WAT +ATOM 48603 H1 TIP3 14098 42.165 0.070 21.965 1.00 0.00 WAT +ATOM 48604 H2 TIP3 14098 41.626 0.256 23.357 1.00 0.00 WAT +ATOM 48605 OH2 TIP3 14099 36.732 -2.752 19.075 1.00 0.00 WAT +ATOM 48606 H1 TIP3 14099 36.211 -3.567 19.152 1.00 0.00 WAT +ATOM 48607 H2 TIP3 14099 37.517 -3.054 18.598 1.00 0.00 WAT +ATOM 48608 OH2 TIP3 14100 40.505 -0.885 25.113 1.00 0.00 WAT +ATOM 48609 H1 TIP3 14100 39.793 -0.242 24.975 1.00 0.00 WAT +ATOM 48610 H2 TIP3 14100 41.016 -0.476 25.836 1.00 0.00 WAT +ATOM 48611 OH2 TIP3 14101 40.708 5.497 17.004 1.00 0.00 WAT +ATOM 48612 H1 TIP3 14101 39.945 5.006 16.629 1.00 0.00 WAT +ATOM 48613 H2 TIP3 14101 40.483 5.549 17.961 1.00 0.00 WAT +ATOM 48614 OH2 TIP3 14102 41.980 5.472 28.211 1.00 0.00 WAT +ATOM 48615 H1 TIP3 14102 41.875 5.346 29.157 1.00 0.00 WAT +ATOM 48616 H2 TIP3 14102 42.144 6.423 28.120 1.00 0.00 WAT +ATOM 48617 OH2 TIP3 14103 35.569 4.853 22.606 1.00 0.00 WAT +ATOM 48618 H1 TIP3 14103 36.251 4.848 21.909 1.00 0.00 WAT +ATOM 48619 H2 TIP3 14103 35.894 4.135 23.179 1.00 0.00 WAT +ATOM 48620 OH2 TIP3 14104 42.869 6.894 15.998 1.00 0.00 WAT +ATOM 48621 H1 TIP3 14104 42.595 7.782 16.288 1.00 0.00 WAT +ATOM 48622 H2 TIP3 14104 42.100 6.356 16.286 1.00 0.00 WAT +ATOM 48623 OH2 TIP3 14105 32.968 3.265 28.020 1.00 0.00 WAT +ATOM 48624 H1 TIP3 14105 33.215 2.904 28.898 1.00 0.00 WAT +ATOM 48625 H2 TIP3 14105 32.435 2.542 27.660 1.00 0.00 WAT +ATOM 48626 OH2 TIP3 14106 40.021 2.798 30.027 1.00 0.00 WAT +ATOM 48627 H1 TIP3 14106 39.721 2.487 29.158 1.00 0.00 WAT +ATOM 48628 H2 TIP3 14106 40.955 2.516 30.008 1.00 0.00 WAT +ATOM 48629 OH2 TIP3 14107 38.134 8.284 20.030 1.00 0.00 WAT +ATOM 48630 H1 TIP3 14107 38.569 9.142 19.912 1.00 0.00 WAT +ATOM 48631 H2 TIP3 14107 37.220 8.483 19.792 1.00 0.00 WAT +ATOM 48632 OH2 TIP3 14108 34.153 3.075 14.709 1.00 0.00 WAT +ATOM 48633 H1 TIP3 14108 34.765 3.753 15.051 1.00 0.00 WAT +ATOM 48634 H2 TIP3 14108 33.293 3.469 14.922 1.00 0.00 WAT +ATOM 48635 OH2 TIP3 14109 39.970 6.000 19.668 1.00 0.00 WAT +ATOM 48636 H1 TIP3 14109 39.627 6.895 19.810 1.00 0.00 WAT +ATOM 48637 H2 TIP3 14109 39.274 5.462 20.081 1.00 0.00 WAT +ATOM 48638 OH2 TIP3 14110 40.184 10.271 26.082 1.00 0.00 WAT +ATOM 48639 H1 TIP3 14110 40.748 10.974 25.710 1.00 0.00 WAT +ATOM 48640 H2 TIP3 14110 40.830 9.738 26.573 1.00 0.00 WAT +ATOM 48641 OH2 TIP3 14111 38.682 11.239 19.373 1.00 0.00 WAT +ATOM 48642 H1 TIP3 14111 37.713 11.284 19.377 1.00 0.00 WAT +ATOM 48643 H2 TIP3 14111 38.915 12.177 19.546 1.00 0.00 WAT +ATOM 48644 OH2 TIP3 14112 34.400 -2.074 27.592 1.00 0.00 WAT +ATOM 48645 H1 TIP3 14112 33.471 -1.851 27.417 1.00 0.00 WAT +ATOM 48646 H2 TIP3 14112 34.313 -2.918 28.073 1.00 0.00 WAT +ATOM 48647 OH2 TIP3 14113 34.140 9.670 26.053 1.00 0.00 WAT +ATOM 48648 H1 TIP3 14113 34.430 8.770 26.267 1.00 0.00 WAT +ATOM 48649 H2 TIP3 14113 34.312 10.110 26.895 1.00 0.00 WAT +ATOM 48650 OH2 TIP3 14114 39.949 8.395 13.108 1.00 0.00 WAT +ATOM 48651 H1 TIP3 14114 40.277 7.654 12.563 1.00 0.00 WAT +ATOM 48652 H2 TIP3 14114 39.553 7.910 13.851 1.00 0.00 WAT +ATOM 48653 OH2 TIP3 14115 38.855 7.809 15.848 1.00 0.00 WAT +ATOM 48654 H1 TIP3 14115 39.345 7.290 16.500 1.00 0.00 WAT +ATOM 48655 H2 TIP3 14115 38.984 8.728 16.157 1.00 0.00 WAT +ATOM 48656 OH2 TIP3 14116 35.654 5.303 16.189 1.00 0.00 WAT +ATOM 48657 H1 TIP3 14116 34.940 5.704 16.717 1.00 0.00 WAT +ATOM 48658 H2 TIP3 14116 36.136 6.093 15.889 1.00 0.00 WAT +ATOM 48659 OH2 TIP3 14117 43.353 -1.805 26.771 1.00 0.00 WAT +ATOM 48660 H1 TIP3 14117 43.909 -2.568 26.955 1.00 0.00 WAT +ATOM 48661 H2 TIP3 14117 42.732 -2.179 26.130 1.00 0.00 WAT +ATOM 48662 OH2 TIP3 14118 41.738 9.615 16.503 1.00 0.00 WAT +ATOM 48663 H1 TIP3 14118 40.839 9.995 16.497 1.00 0.00 WAT +ATOM 48664 H2 TIP3 14118 42.097 9.968 15.679 1.00 0.00 WAT +ATOM 48665 OH2 TIP3 14119 41.271 -1.008 18.381 1.00 0.00 WAT +ATOM 48666 H1 TIP3 14119 41.867 -0.260 18.620 1.00 0.00 WAT +ATOM 48667 H2 TIP3 14119 40.942 -1.202 19.279 1.00 0.00 WAT +ATOM 48668 OH2 TIP3 14120 41.675 0.122 27.595 1.00 0.00 WAT +ATOM 48669 H1 TIP3 14120 41.849 0.549 28.444 1.00 0.00 WAT +ATOM 48670 H2 TIP3 14120 42.326 -0.610 27.584 1.00 0.00 WAT +ATOM 48671 OH2 TIP3 14121 41.926 -3.836 19.579 1.00 0.00 WAT +ATOM 48672 H1 TIP3 14121 41.654 -3.061 20.124 1.00 0.00 WAT +ATOM 48673 H2 TIP3 14121 42.715 -3.488 19.127 1.00 0.00 WAT +ATOM 48674 OH2 TIP3 14122 38.988 10.541 16.418 1.00 0.00 WAT +ATOM 48675 H1 TIP3 14122 38.914 11.322 15.827 1.00 0.00 WAT +ATOM 48676 H2 TIP3 14122 38.820 10.937 17.289 1.00 0.00 WAT +ATOM 48677 OH2 TIP3 14123 37.673 -2.774 15.920 1.00 0.00 WAT +ATOM 48678 H1 TIP3 14123 37.745 -1.967 16.458 1.00 0.00 WAT +ATOM 48679 H2 TIP3 14123 38.501 -3.238 16.141 1.00 0.00 WAT +ATOM 48680 OH2 TIP3 14124 36.106 8.088 14.975 1.00 0.00 WAT +ATOM 48681 H1 TIP3 14124 36.845 8.592 15.354 1.00 0.00 WAT +ATOM 48682 H2 TIP3 14124 36.584 7.608 14.280 1.00 0.00 WAT +ATOM 48683 OH2 TIP3 14125 34.246 0.280 14.115 1.00 0.00 WAT +ATOM 48684 H1 TIP3 14125 34.372 1.232 14.293 1.00 0.00 WAT +ATOM 48685 H2 TIP3 14125 33.454 0.267 13.567 1.00 0.00 WAT +ATOM 48686 OH2 TIP3 14126 35.111 -4.661 22.819 1.00 0.00 WAT +ATOM 48687 H1 TIP3 14126 34.955 -4.744 21.858 1.00 0.00 WAT +ATOM 48688 H2 TIP3 14126 34.826 -5.528 23.164 1.00 0.00 WAT +ATOM 48689 OH2 TIP3 14127 34.038 8.808 19.140 1.00 0.00 WAT +ATOM 48690 H1 TIP3 14127 33.267 9.343 19.372 1.00 0.00 WAT +ATOM 48691 H2 TIP3 14127 34.428 9.339 18.428 1.00 0.00 WAT +ATOM 48692 OH2 TIP3 14128 33.468 11.724 30.255 1.00 0.00 WAT +ATOM 48693 H1 TIP3 14128 34.029 11.466 31.012 1.00 0.00 WAT +ATOM 48694 H2 TIP3 14128 33.063 10.869 30.012 1.00 0.00 WAT +ATOM 48695 OH2 TIP3 14129 38.164 10.800 32.063 1.00 0.00 WAT +ATOM 48696 H1 TIP3 14129 38.825 10.121 32.269 1.00 0.00 WAT +ATOM 48697 H2 TIP3 14129 37.897 10.531 31.168 1.00 0.00 WAT +ATOM 48698 OH2 TIP3 14130 42.286 10.002 13.484 1.00 0.00 WAT +ATOM 48699 H1 TIP3 14130 41.461 9.480 13.386 1.00 0.00 WAT +ATOM 48700 H2 TIP3 14130 42.934 9.309 13.267 1.00 0.00 WAT +ATOM 48701 OH2 TIP3 14131 33.431 5.378 31.395 1.00 0.00 WAT +ATOM 48702 H1 TIP3 14131 33.498 4.450 31.114 1.00 0.00 WAT +ATOM 48703 H2 TIP3 14131 32.632 5.660 30.911 1.00 0.00 WAT +ATOM 48704 OH2 TIP3 14132 37.628 5.804 13.433 1.00 0.00 WAT +ATOM 48705 H1 TIP3 14132 37.807 5.180 14.156 1.00 0.00 WAT +ATOM 48706 H2 TIP3 14132 38.466 5.753 12.935 1.00 0.00 WAT +ATOM 48707 OH2 TIP3 14133 40.066 5.570 30.731 1.00 0.00 WAT +ATOM 48708 H1 TIP3 14133 39.802 5.878 29.848 1.00 0.00 WAT +ATOM 48709 H2 TIP3 14133 40.159 4.604 30.596 1.00 0.00 WAT +ATOM 48710 OH2 TIP3 14134 42.603 7.114 12.981 1.00 0.00 WAT +ATOM 48711 H1 TIP3 14134 42.801 7.196 13.929 1.00 0.00 WAT +ATOM 48712 H2 TIP3 14134 42.454 6.156 12.904 1.00 0.00 WAT +ATOM 48713 OH2 TIP3 14135 34.273 2.536 30.536 1.00 0.00 WAT +ATOM 48714 H1 TIP3 14135 34.977 1.862 30.533 1.00 0.00 WAT +ATOM 48715 H2 TIP3 14135 34.212 2.706 31.491 1.00 0.00 WAT +ATOM 48716 OH2 TIP3 14136 38.715 3.849 15.751 1.00 0.00 WAT +ATOM 48717 H1 TIP3 14136 38.104 3.325 16.289 1.00 0.00 WAT +ATOM 48718 H2 TIP3 14136 39.039 3.173 15.120 1.00 0.00 WAT +ATOM 48719 OH2 TIP3 14137 37.930 1.622 27.888 1.00 0.00 WAT +ATOM 48720 H1 TIP3 14137 37.440 2.394 28.221 1.00 0.00 WAT +ATOM 48721 H2 TIP3 14137 38.595 2.037 27.314 1.00 0.00 WAT +ATOM 48722 OH2 TIP3 14138 39.784 1.879 14.049 1.00 0.00 WAT +ATOM 48723 H1 TIP3 14138 39.679 1.907 13.080 1.00 0.00 WAT +ATOM 48724 H2 TIP3 14138 40.746 1.974 14.140 1.00 0.00 WAT +ATOM 48725 OH2 TIP3 14139 42.849 4.123 31.707 1.00 0.00 WAT +ATOM 48726 H1 TIP3 14139 43.544 3.788 31.132 1.00 0.00 WAT +ATOM 48727 H2 TIP3 14139 42.668 3.320 32.228 1.00 0.00 WAT +ATOM 48728 OH2 TIP3 14140 38.563 -1.061 29.165 1.00 0.00 WAT +ATOM 48729 H1 TIP3 14140 38.615 -1.739 28.467 1.00 0.00 WAT +ATOM 48730 H2 TIP3 14140 38.371 -0.263 28.645 1.00 0.00 WAT +ATOM 48731 OH2 TIP3 14141 38.822 -2.613 26.571 1.00 0.00 WAT +ATOM 48732 H1 TIP3 14141 39.363 -2.068 25.964 1.00 0.00 WAT +ATOM 48733 H2 TIP3 14141 37.927 -2.540 26.182 1.00 0.00 WAT +ATOM 48734 OH2 TIP3 14142 40.586 2.780 26.900 1.00 0.00 WAT +ATOM 48735 H1 TIP3 14142 41.358 2.741 26.318 1.00 0.00 WAT +ATOM 48736 H2 TIP3 14142 40.300 3.698 26.764 1.00 0.00 WAT +ATOM 48737 OH2 TIP3 14143 36.733 0.790 30.857 1.00 0.00 WAT +ATOM 48738 H1 TIP3 14143 36.180 -0.004 30.959 1.00 0.00 WAT +ATOM 48739 H2 TIP3 14143 37.555 0.408 30.511 1.00 0.00 WAT +ATOM 48740 OH2 TIP3 14144 39.729 -5.232 26.935 1.00 0.00 WAT +ATOM 48741 H1 TIP3 14144 39.469 -4.300 26.780 1.00 0.00 WAT +ATOM 48742 H2 TIP3 14144 39.058 -5.709 26.413 1.00 0.00 WAT +ATOM 48743 OH2 TIP3 14145 41.013 -0.775 30.696 1.00 0.00 WAT +ATOM 48744 H1 TIP3 14145 40.701 -1.109 31.552 1.00 0.00 WAT +ATOM 48745 H2 TIP3 14145 40.265 -1.046 30.129 1.00 0.00 WAT +ATOM 48746 OH2 TIP3 14146 35.343 -1.776 30.761 1.00 0.00 WAT +ATOM 48747 H1 TIP3 14146 35.315 -2.525 30.144 1.00 0.00 WAT +ATOM 48748 H2 TIP3 14146 35.202 -2.233 31.615 1.00 0.00 WAT +ATOM 48749 OH2 TIP3 14147 39.465 -5.755 29.793 1.00 0.00 WAT +ATOM 48750 H1 TIP3 14147 40.015 -6.548 29.865 1.00 0.00 WAT +ATOM 48751 H2 TIP3 14147 39.472 -5.609 28.829 1.00 0.00 WAT +ATOM 48752 OH2 TIP3 14148 40.412 -3.933 31.728 1.00 0.00 WAT +ATOM 48753 H1 TIP3 14148 40.094 -4.561 31.050 1.00 0.00 WAT +ATOM 48754 H2 TIP3 14148 39.670 -3.320 31.808 1.00 0.00 WAT +ATOM 48755 OH2 TIP3 14149 39.577 13.059 15.137 1.00 0.00 WAT +ATOM 48756 H1 TIP3 14149 40.539 13.157 15.167 1.00 0.00 WAT +ATOM 48757 H2 TIP3 14149 39.379 13.564 14.334 1.00 0.00 WAT +ATOM 48758 OH2 TIP3 14150 33.364 7.467 14.694 1.00 0.00 WAT +ATOM 48759 H1 TIP3 14150 34.319 7.684 14.769 1.00 0.00 WAT +ATOM 48760 H2 TIP3 14150 33.374 6.727 14.055 1.00 0.00 WAT +ATOM 48761 OH2 TIP3 14151 32.359 12.693 19.364 1.00 0.00 WAT +ATOM 48762 H1 TIP3 14151 31.628 12.342 18.816 1.00 0.00 WAT +ATOM 48763 H2 TIP3 14151 32.416 12.018 20.068 1.00 0.00 WAT +ATOM 48764 OH2 TIP3 14152 32.727 10.719 21.376 1.00 0.00 WAT +ATOM 48765 H1 TIP3 14152 32.435 9.854 21.702 1.00 0.00 WAT +ATOM 48766 H2 TIP3 14152 33.070 11.096 22.203 1.00 0.00 WAT +ATOM 48767 OH2 TIP3 14153 32.912 3.679 23.238 1.00 0.00 WAT +ATOM 48768 H1 TIP3 14153 33.434 4.207 22.610 1.00 0.00 WAT +ATOM 48769 H2 TIP3 14153 33.573 3.672 23.970 1.00 0.00 WAT +ATOM 48770 OH2 TIP3 14154 32.741 -0.581 30.091 1.00 0.00 WAT +ATOM 48771 H1 TIP3 14154 33.666 -0.850 30.247 1.00 0.00 WAT +ATOM 48772 H2 TIP3 14154 32.276 -1.429 30.225 1.00 0.00 WAT +ATOM 48773 OH2 TIP3 14155 33.422 -2.210 23.070 1.00 0.00 WAT +ATOM 48774 H1 TIP3 14155 33.924 -3.048 23.111 1.00 0.00 WAT +ATOM 48775 H2 TIP3 14155 34.147 -1.570 23.247 1.00 0.00 WAT +ATOM 48776 OH2 TIP3 14156 32.297 -3.147 18.160 1.00 0.00 WAT +ATOM 48777 H1 TIP3 14156 31.389 -3.163 17.813 1.00 0.00 WAT +ATOM 48778 H2 TIP3 14156 32.789 -2.667 17.466 1.00 0.00 WAT +ATOM 48779 OH2 TIP3 14157 32.556 -4.323 26.241 1.00 0.00 WAT +ATOM 48780 H1 TIP3 14157 31.888 -4.640 26.868 1.00 0.00 WAT +ATOM 48781 H2 TIP3 14157 32.005 -3.926 25.555 1.00 0.00 WAT +ATOM 48782 OH2 TIP3 14158 34.563 8.765 30.897 1.00 0.00 WAT +ATOM 48783 H1 TIP3 14158 33.826 8.738 30.270 1.00 0.00 WAT +ATOM 48784 H2 TIP3 14158 34.112 8.696 31.750 1.00 0.00 WAT +ATOM 48785 OH2 TIP3 14159 37.402 9.712 26.546 1.00 0.00 WAT +ATOM 48786 H1 TIP3 14159 37.096 10.582 26.235 1.00 0.00 WAT +ATOM 48787 H2 TIP3 14159 38.365 9.816 26.394 1.00 0.00 WAT +ATOM 48788 OH2 TIP3 14160 42.202 11.383 29.474 1.00 0.00 WAT +ATOM 48789 H1 TIP3 14160 42.042 11.004 30.353 1.00 0.00 WAT +ATOM 48790 H2 TIP3 14160 43.156 11.577 29.546 1.00 0.00 WAT +ATOM 48791 OH2 TIP3 14161 34.762 12.675 26.899 1.00 0.00 WAT +ATOM 48792 H1 TIP3 14161 34.164 13.317 26.474 1.00 0.00 WAT +ATOM 48793 H2 TIP3 14161 34.452 12.726 27.812 1.00 0.00 WAT +ATOM 48794 OH2 TIP3 14162 37.263 12.448 25.445 1.00 0.00 WAT +ATOM 48795 H1 TIP3 14162 36.433 12.646 25.923 1.00 0.00 WAT +ATOM 48796 H2 TIP3 14162 37.291 13.166 24.791 1.00 0.00 WAT +ATOM 48797 OH2 TIP3 14163 41.799 12.359 24.729 1.00 0.00 WAT +ATOM 48798 H1 TIP3 14163 41.498 13.139 24.246 1.00 0.00 WAT +ATOM 48799 H2 TIP3 14163 42.504 12.727 25.274 1.00 0.00 WAT +ATOM 48800 OH2 TIP3 14164 34.341 11.470 23.838 1.00 0.00 WAT +ATOM 48801 H1 TIP3 14164 34.335 11.007 24.704 1.00 0.00 WAT +ATOM 48802 H2 TIP3 14164 35.122 11.058 23.420 1.00 0.00 WAT +ATOM 48803 OH2 TIP3 14165 36.380 10.220 22.316 1.00 0.00 WAT +ATOM 48804 H1 TIP3 14165 36.221 9.280 22.547 1.00 0.00 WAT +ATOM 48805 H2 TIP3 14165 37.265 10.365 22.680 1.00 0.00 WAT +ATOM 48806 OH2 TIP3 14166 39.523 10.861 22.914 1.00 0.00 WAT +ATOM 48807 H1 TIP3 14166 39.395 9.897 22.909 1.00 0.00 WAT +ATOM 48808 H2 TIP3 14166 39.348 11.065 23.850 1.00 0.00 WAT +ATOM 48809 OH2 TIP3 14167 42.622 -3.710 22.506 1.00 0.00 WAT +ATOM 48810 H1 TIP3 14167 41.799 -4.220 22.621 1.00 0.00 WAT +ATOM 48811 H2 TIP3 14167 42.988 -4.117 21.716 1.00 0.00 WAT +ATOM 48812 OH2 TIP3 14168 34.768 -4.871 19.997 1.00 0.00 WAT +ATOM 48813 H1 TIP3 14168 33.924 -5.000 19.523 1.00 0.00 WAT +ATOM 48814 H2 TIP3 14168 35.210 -5.720 19.829 1.00 0.00 WAT +ATOM 48815 OH2 TIP3 14169 33.745 -5.255 15.971 1.00 0.00 WAT +ATOM 48816 H1 TIP3 14169 34.163 -4.560 15.427 1.00 0.00 WAT +ATOM 48817 H2 TIP3 14169 33.172 -4.744 16.559 1.00 0.00 WAT +ATOM 48818 OH2 TIP3 14170 39.311 -4.890 19.945 1.00 0.00 WAT +ATOM 48819 H1 TIP3 14170 40.227 -4.575 19.822 1.00 0.00 WAT +ATOM 48820 H2 TIP3 14170 39.292 -4.979 20.905 1.00 0.00 WAT +ATOM 48821 OH2 TIP3 14171 33.800 10.752 17.092 1.00 0.00 WAT +ATOM 48822 H1 TIP3 14171 33.170 10.628 16.365 1.00 0.00 WAT +ATOM 48823 H2 TIP3 14171 33.783 11.719 17.161 1.00 0.00 WAT +ATOM 48824 OH2 TIP3 14172 35.326 -3.394 14.381 1.00 0.00 WAT +ATOM 48825 H1 TIP3 14172 35.912 -3.940 13.827 1.00 0.00 WAT +ATOM 48826 H2 TIP3 14172 35.952 -3.077 15.061 1.00 0.00 WAT +ATOM 48827 OH2 TIP3 14173 40.626 -3.207 16.906 1.00 0.00 WAT +ATOM 48828 H1 TIP3 14173 40.665 -3.827 17.649 1.00 0.00 WAT +ATOM 48829 H2 TIP3 14173 40.637 -2.348 17.376 1.00 0.00 WAT +ATOM 48830 OH2 TIP3 14174 42.626 12.391 15.179 1.00 0.00 WAT +ATOM 48831 H1 TIP3 14174 43.502 12.772 14.995 1.00 0.00 WAT +ATOM 48832 H2 TIP3 14174 42.489 11.802 14.416 1.00 0.00 WAT +ATOM 48833 OH2 TIP3 14175 34.636 -4.462 29.549 1.00 0.00 WAT +ATOM 48834 H1 TIP3 14175 34.190 -5.248 29.911 1.00 0.00 WAT +ATOM 48835 H2 TIP3 14175 35.542 -4.617 29.869 1.00 0.00 WAT +ATOM 48836 OH2 TIP3 14176 36.962 -5.101 31.275 1.00 0.00 WAT +ATOM 48837 H1 TIP3 14176 37.793 -5.461 30.906 1.00 0.00 WAT +ATOM 48838 H2 TIP3 14176 36.643 -5.875 31.773 1.00 0.00 WAT +ATOM 48839 OH2 TIP3 14177 35.215 11.676 13.875 1.00 0.00 WAT +ATOM 48840 H1 TIP3 14177 34.999 11.984 14.767 1.00 0.00 WAT +ATOM 48841 H2 TIP3 14177 36.003 11.128 14.018 1.00 0.00 WAT +ATOM 48842 OH2 TIP3 14178 -31.630 22.922 20.342 1.00 0.00 WAT +ATOM 48843 H1 TIP3 14178 -31.614 23.893 20.329 1.00 0.00 WAT +ATOM 48844 H2 TIP3 14178 -32.354 22.737 19.725 1.00 0.00 WAT +ATOM 48845 OH2 TIP3 14179 -32.828 22.377 23.444 1.00 0.00 WAT +ATOM 48846 H1 TIP3 14179 -32.800 21.710 24.153 1.00 0.00 WAT +ATOM 48847 H2 TIP3 14179 -33.010 21.824 22.669 1.00 0.00 WAT +ATOM 48848 OH2 TIP3 14180 -40.350 22.034 25.108 1.00 0.00 WAT +ATOM 48849 H1 TIP3 14180 -40.265 21.253 25.669 1.00 0.00 WAT +ATOM 48850 H2 TIP3 14180 -39.539 22.516 25.312 1.00 0.00 WAT +ATOM 48851 OH2 TIP3 14181 -29.114 25.123 21.703 1.00 0.00 WAT +ATOM 48852 H1 TIP3 14181 -29.413 24.345 22.196 1.00 0.00 WAT +ATOM 48853 H2 TIP3 14181 -28.736 25.664 22.403 1.00 0.00 WAT +ATOM 48854 OH2 TIP3 14182 -39.568 26.569 23.499 1.00 0.00 WAT +ATOM 48855 H1 TIP3 14182 -39.871 25.668 23.267 1.00 0.00 WAT +ATOM 48856 H2 TIP3 14182 -38.651 26.383 23.739 1.00 0.00 WAT +ATOM 48857 OH2 TIP3 14183 -42.073 19.791 18.170 1.00 0.00 WAT +ATOM 48858 H1 TIP3 14183 -41.683 20.233 18.936 1.00 0.00 WAT +ATOM 48859 H2 TIP3 14183 -42.181 18.885 18.483 1.00 0.00 WAT +ATOM 48860 OH2 TIP3 14184 -42.082 22.219 21.001 1.00 0.00 WAT +ATOM 48861 H1 TIP3 14184 -41.640 21.451 21.408 1.00 0.00 WAT +ATOM 48862 H2 TIP3 14184 -41.365 22.578 20.471 1.00 0.00 WAT +ATOM 48863 OH2 TIP3 14185 -32.093 30.395 22.180 1.00 0.00 WAT +ATOM 48864 H1 TIP3 14185 -31.411 29.731 21.965 1.00 0.00 WAT +ATOM 48865 H2 TIP3 14185 -32.257 30.265 23.123 1.00 0.00 WAT +ATOM 48866 OH2 TIP3 14186 -33.798 25.008 24.100 1.00 0.00 WAT +ATOM 48867 H1 TIP3 14186 -33.805 24.402 23.335 1.00 0.00 WAT +ATOM 48868 H2 TIP3 14186 -33.538 24.371 24.775 1.00 0.00 WAT +ATOM 48869 OH2 TIP3 14187 -25.617 16.391 24.568 1.00 0.00 WAT +ATOM 48870 H1 TIP3 14187 -25.349 16.983 25.291 1.00 0.00 WAT +ATOM 48871 H2 TIP3 14187 -24.984 16.656 23.874 1.00 0.00 WAT +ATOM 48872 OH2 TIP3 14188 -30.993 19.191 24.432 1.00 0.00 WAT +ATOM 48873 H1 TIP3 14188 -30.805 18.240 24.509 1.00 0.00 WAT +ATOM 48874 H2 TIP3 14188 -31.058 19.293 23.468 1.00 0.00 WAT +ATOM 48875 OH2 TIP3 14189 -37.884 17.101 21.657 1.00 0.00 WAT +ATOM 48876 H1 TIP3 14189 -38.289 17.983 21.617 1.00 0.00 WAT +ATOM 48877 H2 TIP3 14189 -38.294 16.683 20.866 1.00 0.00 WAT +ATOM 48878 OH2 TIP3 14190 -30.142 17.393 19.859 1.00 0.00 WAT +ATOM 48879 H1 TIP3 14190 -29.559 16.956 20.518 1.00 0.00 WAT +ATOM 48880 H2 TIP3 14190 -29.481 17.811 19.287 1.00 0.00 WAT +ATOM 48881 OH2 TIP3 14191 -36.114 21.092 21.310 1.00 0.00 WAT +ATOM 48882 H1 TIP3 14191 -35.475 20.532 21.783 1.00 0.00 WAT +ATOM 48883 H2 TIP3 14191 -36.791 20.451 21.053 1.00 0.00 WAT +ATOM 48884 OH2 TIP3 14192 -24.870 17.735 27.055 1.00 0.00 WAT +ATOM 48885 H1 TIP3 14192 -25.470 18.452 26.781 1.00 0.00 WAT +ATOM 48886 H2 TIP3 14192 -25.020 17.736 28.012 1.00 0.00 WAT +ATOM 48887 OH2 TIP3 14193 -38.979 16.558 25.788 1.00 0.00 WAT +ATOM 48888 H1 TIP3 14193 -39.263 16.759 24.887 1.00 0.00 WAT +ATOM 48889 H2 TIP3 14193 -39.835 16.369 26.224 1.00 0.00 WAT +ATOM 48890 OH2 TIP3 14194 -31.736 25.735 19.122 1.00 0.00 WAT +ATOM 48891 H1 TIP3 14194 -31.986 25.474 18.231 1.00 0.00 WAT +ATOM 48892 H2 TIP3 14194 -32.176 26.597 19.229 1.00 0.00 WAT +ATOM 48893 OH2 TIP3 14195 -36.213 23.936 25.754 1.00 0.00 WAT +ATOM 48894 H1 TIP3 14195 -37.015 24.392 26.091 1.00 0.00 WAT +ATOM 48895 H2 TIP3 14195 -35.695 24.690 25.450 1.00 0.00 WAT +ATOM 48896 OH2 TIP3 14196 -28.325 16.621 21.873 1.00 0.00 WAT +ATOM 48897 H1 TIP3 14196 -28.694 16.003 22.517 1.00 0.00 WAT +ATOM 48898 H2 TIP3 14196 -27.776 17.191 22.437 1.00 0.00 WAT +ATOM 48899 OH2 TIP3 14197 -38.271 25.724 26.539 1.00 0.00 WAT +ATOM 48900 H1 TIP3 14197 -38.308 26.649 26.230 1.00 0.00 WAT +ATOM 48901 H2 TIP3 14197 -39.162 25.661 26.940 1.00 0.00 WAT +ATOM 48902 OH2 TIP3 14198 -41.813 25.395 17.429 1.00 0.00 WAT +ATOM 48903 H1 TIP3 14198 -42.637 25.544 16.922 1.00 0.00 WAT +ATOM 48904 H2 TIP3 14198 -41.932 25.983 18.193 1.00 0.00 WAT +ATOM 48905 OH2 TIP3 14199 -28.882 26.974 24.281 1.00 0.00 WAT +ATOM 48906 H1 TIP3 14199 -29.512 27.687 24.160 1.00 0.00 WAT +ATOM 48907 H2 TIP3 14199 -28.119 27.402 23.855 1.00 0.00 WAT +ATOM 48908 OH2 TIP3 14200 -28.190 15.758 25.714 1.00 0.00 WAT +ATOM 48909 H1 TIP3 14200 -28.953 16.152 25.253 1.00 0.00 WAT +ATOM 48910 H2 TIP3 14200 -27.455 15.951 25.102 1.00 0.00 WAT +ATOM 48911 OH2 TIP3 14201 -35.060 13.488 22.782 1.00 0.00 WAT +ATOM 48912 H1 TIP3 14201 -35.258 12.537 22.695 1.00 0.00 WAT +ATOM 48913 H2 TIP3 14201 -35.899 13.830 23.150 1.00 0.00 WAT +ATOM 48914 OH2 TIP3 14202 -30.170 28.790 20.910 1.00 0.00 WAT +ATOM 48915 H1 TIP3 14202 -29.761 28.019 20.460 1.00 0.00 WAT +ATOM 48916 H2 TIP3 14202 -29.563 29.500 20.639 1.00 0.00 WAT +ATOM 48917 OH2 TIP3 14203 -28.826 26.747 19.391 1.00 0.00 WAT +ATOM 48918 H1 TIP3 14203 -29.193 26.234 18.654 1.00 0.00 WAT +ATOM 48919 H2 TIP3 14203 -28.826 26.075 20.099 1.00 0.00 WAT +ATOM 48920 OH2 TIP3 14204 -27.378 25.558 27.836 1.00 0.00 WAT +ATOM 48921 H1 TIP3 14204 -27.302 24.847 27.173 1.00 0.00 WAT +ATOM 48922 H2 TIP3 14204 -27.025 26.333 27.365 1.00 0.00 WAT +ATOM 48923 OH2 TIP3 14205 -32.932 22.472 17.586 1.00 0.00 WAT +ATOM 48924 H1 TIP3 14205 -33.625 22.992 17.143 1.00 0.00 WAT +ATOM 48925 H2 TIP3 14205 -32.233 22.451 16.909 1.00 0.00 WAT +ATOM 48926 OH2 TIP3 14206 -32.667 20.621 14.627 1.00 0.00 WAT +ATOM 48927 H1 TIP3 14206 -31.949 20.926 15.211 1.00 0.00 WAT +ATOM 48928 H2 TIP3 14206 -32.177 20.032 14.035 1.00 0.00 WAT +ATOM 48929 OH2 TIP3 14207 -25.461 21.674 25.798 1.00 0.00 WAT +ATOM 48930 H1 TIP3 14207 -26.168 22.339 25.896 1.00 0.00 WAT +ATOM 48931 H2 TIP3 14207 -24.973 22.021 25.026 1.00 0.00 WAT +ATOM 48932 OH2 TIP3 14208 -29.447 22.434 18.643 1.00 0.00 WAT +ATOM 48933 H1 TIP3 14208 -30.128 22.614 19.327 1.00 0.00 WAT +ATOM 48934 H2 TIP3 14208 -28.833 21.859 19.139 1.00 0.00 WAT +ATOM 48935 OH2 TIP3 14209 -29.612 20.926 27.452 1.00 0.00 WAT +ATOM 48936 H1 TIP3 14209 -29.547 21.693 28.044 1.00 0.00 WAT +ATOM 48937 H2 TIP3 14209 -30.233 21.290 26.799 1.00 0.00 WAT +ATOM 48938 OH2 TIP3 14210 -37.743 23.236 20.370 1.00 0.00 WAT +ATOM 48939 H1 TIP3 14210 -38.188 22.823 19.603 1.00 0.00 WAT +ATOM 48940 H2 TIP3 14210 -37.232 22.479 20.714 1.00 0.00 WAT +ATOM 48941 OH2 TIP3 14211 -36.419 26.585 23.147 1.00 0.00 WAT +ATOM 48942 H1 TIP3 14211 -36.600 26.187 22.283 1.00 0.00 WAT +ATOM 48943 H2 TIP3 14211 -35.598 26.151 23.418 1.00 0.00 WAT +ATOM 48944 OH2 TIP3 14212 -37.122 21.912 23.953 1.00 0.00 WAT +ATOM 48945 H1 TIP3 14212 -36.673 22.066 23.108 1.00 0.00 WAT +ATOM 48946 H2 TIP3 14212 -36.817 22.648 24.510 1.00 0.00 WAT +ATOM 48947 OH2 TIP3 14213 -36.409 26.340 28.692 1.00 0.00 WAT +ATOM 48948 H1 TIP3 14213 -36.921 26.973 29.232 1.00 0.00 WAT +ATOM 48949 H2 TIP3 14213 -37.088 26.072 28.043 1.00 0.00 WAT +ATOM 48950 OH2 TIP3 14214 -30.505 21.895 16.086 1.00 0.00 WAT +ATOM 48951 H1 TIP3 14214 -30.011 22.138 16.896 1.00 0.00 WAT +ATOM 48952 H2 TIP3 14214 -29.996 22.390 15.398 1.00 0.00 WAT +ATOM 48953 OH2 TIP3 14215 -39.505 22.568 27.955 1.00 0.00 WAT +ATOM 48954 H1 TIP3 14215 -39.430 23.217 28.679 1.00 0.00 WAT +ATOM 48955 H2 TIP3 14215 -40.445 22.660 27.724 1.00 0.00 WAT +ATOM 48956 OH2 TIP3 14216 -32.938 28.483 19.645 1.00 0.00 WAT +ATOM 48957 H1 TIP3 14216 -32.467 28.793 20.429 1.00 0.00 WAT +ATOM 48958 H2 TIP3 14216 -33.605 29.162 19.507 1.00 0.00 WAT +ATOM 48959 OH2 TIP3 14217 -38.350 28.444 29.565 1.00 0.00 WAT +ATOM 48960 H1 TIP3 14217 -38.457 28.511 28.601 1.00 0.00 WAT +ATOM 48961 H2 TIP3 14217 -39.266 28.306 29.872 1.00 0.00 WAT +ATOM 48962 OH2 TIP3 14218 -27.071 13.627 15.549 1.00 0.00 WAT +ATOM 48963 H1 TIP3 14218 -27.918 13.718 16.022 1.00 0.00 WAT +ATOM 48964 H2 TIP3 14218 -26.696 14.518 15.628 1.00 0.00 WAT +ATOM 48965 OH2 TIP3 14219 -38.848 21.954 17.971 1.00 0.00 WAT +ATOM 48966 H1 TIP3 14219 -39.191 22.653 17.391 1.00 0.00 WAT +ATOM 48967 H2 TIP3 14219 -39.456 21.221 17.800 1.00 0.00 WAT +ATOM 48968 OH2 TIP3 14220 -25.674 27.768 14.171 1.00 0.00 WAT +ATOM 48969 H1 TIP3 14220 -25.498 28.705 14.377 1.00 0.00 WAT +ATOM 48970 H2 TIP3 14220 -24.794 27.363 14.308 1.00 0.00 WAT +ATOM 48971 OH2 TIP3 14221 -42.639 24.667 26.528 1.00 0.00 WAT +ATOM 48972 H1 TIP3 14221 -42.984 24.443 25.651 1.00 0.00 WAT +ATOM 48973 H2 TIP3 14221 -42.941 23.910 27.054 1.00 0.00 WAT +ATOM 48974 OH2 TIP3 14222 -42.765 27.635 23.391 1.00 0.00 WAT +ATOM 48975 H1 TIP3 14222 -41.981 27.128 23.632 1.00 0.00 WAT +ATOM 48976 H2 TIP3 14222 -43.060 27.975 24.244 1.00 0.00 WAT +ATOM 48977 OH2 TIP3 14223 -24.434 28.146 29.351 1.00 0.00 WAT +ATOM 48978 H1 TIP3 14223 -24.528 27.186 29.220 1.00 0.00 WAT +ATOM 48979 H2 TIP3 14223 -25.333 28.384 29.670 1.00 0.00 WAT +ATOM 48980 OH2 TIP3 14224 -33.779 27.419 28.150 1.00 0.00 WAT +ATOM 48981 H1 TIP3 14224 -33.711 28.213 28.729 1.00 0.00 WAT +ATOM 48982 H2 TIP3 14224 -34.669 27.088 28.397 1.00 0.00 WAT +ATOM 48983 OH2 TIP3 14225 -39.741 30.306 19.777 1.00 0.00 WAT +ATOM 48984 H1 TIP3 14225 -39.551 29.892 20.645 1.00 0.00 WAT +ATOM 48985 H2 TIP3 14225 -40.533 29.796 19.532 1.00 0.00 WAT +ATOM 48986 OH2 TIP3 14226 -30.183 30.641 15.323 1.00 0.00 WAT +ATOM 48987 H1 TIP3 14226 -29.597 30.015 14.846 1.00 0.00 WAT +ATOM 48988 H2 TIP3 14226 -30.130 30.294 16.229 1.00 0.00 WAT +ATOM 48989 OH2 TIP3 14227 -30.966 30.576 18.201 1.00 0.00 WAT +ATOM 48990 H1 TIP3 14227 -31.833 30.165 18.091 1.00 0.00 WAT +ATOM 48991 H2 TIP3 14227 -30.459 29.841 18.573 1.00 0.00 WAT +ATOM 48992 OH2 TIP3 14228 -27.627 19.535 29.787 1.00 0.00 WAT +ATOM 48993 H1 TIP3 14228 -28.147 19.870 29.050 1.00 0.00 WAT +ATOM 48994 H2 TIP3 14228 -27.587 18.580 29.598 1.00 0.00 WAT +ATOM 48995 OH2 TIP3 14229 -40.685 26.138 27.888 1.00 0.00 WAT +ATOM 48996 H1 TIP3 14229 -40.447 25.622 28.679 1.00 0.00 WAT +ATOM 48997 H2 TIP3 14229 -41.501 25.691 27.568 1.00 0.00 WAT +ATOM 48998 OH2 TIP3 14230 -37.528 14.569 23.765 1.00 0.00 WAT +ATOM 48999 H1 TIP3 14230 -38.324 14.526 23.201 1.00 0.00 WAT +ATOM 49000 H2 TIP3 14230 -37.562 15.491 24.057 1.00 0.00 WAT +ATOM 49001 OH2 TIP3 14231 -33.113 14.200 27.296 1.00 0.00 WAT +ATOM 49002 H1 TIP3 14231 -32.596 13.676 27.941 1.00 0.00 WAT +ATOM 49003 H2 TIP3 14231 -34.029 13.936 27.481 1.00 0.00 WAT +ATOM 49004 OH2 TIP3 14232 -30.004 17.987 27.804 1.00 0.00 WAT +ATOM 49005 H1 TIP3 14232 -30.527 17.843 28.613 1.00 0.00 WAT +ATOM 49006 H2 TIP3 14232 -30.001 18.955 27.708 1.00 0.00 WAT +ATOM 49007 OH2 TIP3 14233 -28.942 22.982 14.105 1.00 0.00 WAT +ATOM 49008 H1 TIP3 14233 -29.153 22.777 13.173 1.00 0.00 WAT +ATOM 49009 H2 TIP3 14233 -27.990 23.181 14.028 1.00 0.00 WAT +ATOM 49010 OH2 TIP3 14234 -33.302 16.723 14.597 1.00 0.00 WAT +ATOM 49011 H1 TIP3 14234 -33.794 16.581 15.420 1.00 0.00 WAT +ATOM 49012 H2 TIP3 14234 -33.708 16.045 14.029 1.00 0.00 WAT +ATOM 49013 OH2 TIP3 14235 -37.825 19.271 25.089 1.00 0.00 WAT +ATOM 49014 H1 TIP3 14235 -38.726 19.487 25.383 1.00 0.00 WAT +ATOM 49015 H2 TIP3 14235 -37.711 19.947 24.393 1.00 0.00 WAT +ATOM 49016 OH2 TIP3 14236 -32.076 20.073 18.773 1.00 0.00 WAT +ATOM 49017 H1 TIP3 14236 -32.490 20.882 18.405 1.00 0.00 WAT +ATOM 49018 H2 TIP3 14236 -31.394 19.888 18.104 1.00 0.00 WAT +ATOM 49019 OH2 TIP3 14237 -32.900 20.247 30.085 1.00 0.00 WAT +ATOM 49020 H1 TIP3 14237 -33.385 19.480 30.443 1.00 0.00 WAT +ATOM 49021 H2 TIP3 14237 -32.022 20.136 30.502 1.00 0.00 WAT +ATOM 49022 OH2 TIP3 14238 -31.281 19.470 21.553 1.00 0.00 WAT +ATOM 49023 H1 TIP3 14238 -31.557 20.016 20.790 1.00 0.00 WAT +ATOM 49024 H2 TIP3 14238 -31.041 18.651 21.074 1.00 0.00 WAT +ATOM 49025 OH2 TIP3 14239 -40.027 19.410 26.990 1.00 0.00 WAT +ATOM 49026 H1 TIP3 14239 -40.197 20.028 27.719 1.00 0.00 WAT +ATOM 49027 H2 TIP3 14239 -40.699 18.725 27.142 1.00 0.00 WAT +ATOM 49028 OH2 TIP3 14240 -36.858 17.136 13.516 1.00 0.00 WAT +ATOM 49029 H1 TIP3 14240 -37.240 16.806 14.352 1.00 0.00 WAT +ATOM 49030 H2 TIP3 14240 -37.641 17.320 12.985 1.00 0.00 WAT +ATOM 49031 OH2 TIP3 14241 -43.329 16.995 20.701 1.00 0.00 WAT +ATOM 49032 H1 TIP3 14241 -42.782 17.051 21.500 1.00 0.00 WAT +ATOM 49033 H2 TIP3 14241 -42.729 16.602 20.059 1.00 0.00 WAT +ATOM 49034 OH2 TIP3 14242 -42.114 17.486 16.305 1.00 0.00 WAT +ATOM 49035 H1 TIP3 14242 -41.471 17.848 15.671 1.00 0.00 WAT +ATOM 49036 H2 TIP3 14242 -42.768 18.192 16.341 1.00 0.00 WAT +ATOM 49037 OH2 TIP3 14243 -32.166 21.127 25.957 1.00 0.00 WAT +ATOM 49038 H1 TIP3 14243 -31.684 20.411 25.480 1.00 0.00 WAT +ATOM 49039 H2 TIP3 14243 -32.423 20.668 26.769 1.00 0.00 WAT +ATOM 49040 OH2 TIP3 14244 -35.004 17.098 21.014 1.00 0.00 WAT +ATOM 49041 H1 TIP3 14244 -35.961 17.056 21.213 1.00 0.00 WAT +ATOM 49042 H2 TIP3 14244 -34.615 16.866 21.872 1.00 0.00 WAT +ATOM 49043 OH2 TIP3 14245 -36.834 18.564 17.439 1.00 0.00 WAT +ATOM 49044 H1 TIP3 14245 -35.909 18.794 17.618 1.00 0.00 WAT +ATOM 49045 H2 TIP3 14245 -37.155 19.301 16.895 1.00 0.00 WAT +ATOM 49046 OH2 TIP3 14246 -30.524 16.237 24.018 1.00 0.00 WAT +ATOM 49047 H1 TIP3 14246 -31.171 16.225 24.754 1.00 0.00 WAT +ATOM 49048 H2 TIP3 14246 -31.078 15.882 23.301 1.00 0.00 WAT +ATOM 49049 OH2 TIP3 14247 -38.222 19.871 15.155 1.00 0.00 WAT +ATOM 49050 H1 TIP3 14247 -38.803 19.567 14.440 1.00 0.00 WAT +ATOM 49051 H2 TIP3 14247 -37.394 20.039 14.671 1.00 0.00 WAT +ATOM 49052 OH2 TIP3 14248 -27.512 31.991 30.663 1.00 0.00 WAT +ATOM 49053 H1 TIP3 14248 -27.270 32.465 29.849 1.00 0.00 WAT +ATOM 49054 H2 TIP3 14248 -26.835 32.310 31.285 1.00 0.00 WAT +ATOM 49055 OH2 TIP3 14249 -39.551 24.610 30.110 1.00 0.00 WAT +ATOM 49056 H1 TIP3 14249 -38.929 24.661 30.867 1.00 0.00 WAT +ATOM 49057 H2 TIP3 14249 -40.399 24.713 30.593 1.00 0.00 WAT +ATOM 49058 OH2 TIP3 14250 -33.982 19.537 23.002 1.00 0.00 WAT +ATOM 49059 H1 TIP3 14250 -33.279 19.208 22.424 1.00 0.00 WAT +ATOM 49060 H2 TIP3 14250 -33.976 18.882 23.713 1.00 0.00 WAT +ATOM 49061 OH2 TIP3 14251 -38.711 16.019 19.272 1.00 0.00 WAT +ATOM 49062 H1 TIP3 14251 -39.212 15.222 19.077 1.00 0.00 WAT +ATOM 49063 H2 TIP3 14251 -38.005 15.994 18.614 1.00 0.00 WAT +ATOM 49064 OH2 TIP3 14252 -35.338 17.782 25.443 1.00 0.00 WAT +ATOM 49065 H1 TIP3 14252 -35.888 18.484 25.064 1.00 0.00 WAT +ATOM 49066 H2 TIP3 14252 -34.666 18.259 25.964 1.00 0.00 WAT +ATOM 49067 OH2 TIP3 14253 -34.833 24.528 16.966 1.00 0.00 WAT +ATOM 49068 H1 TIP3 14253 -35.561 23.975 16.607 1.00 0.00 WAT +ATOM 49069 H2 TIP3 14253 -34.980 24.476 17.934 1.00 0.00 WAT +ATOM 49070 OH2 TIP3 14254 -27.536 23.644 25.700 1.00 0.00 WAT +ATOM 49071 H1 TIP3 14254 -27.052 24.157 25.020 1.00 0.00 WAT +ATOM 49072 H2 TIP3 14254 -28.412 23.533 25.289 1.00 0.00 WAT +ATOM 49073 OH2 TIP3 14255 -30.620 17.294 14.747 1.00 0.00 WAT +ATOM 49074 H1 TIP3 14255 -31.603 17.279 14.703 1.00 0.00 WAT +ATOM 49075 H2 TIP3 14255 -30.432 18.033 15.358 1.00 0.00 WAT +ATOM 49076 OH2 TIP3 14256 -33.156 24.563 28.081 1.00 0.00 WAT +ATOM 49077 H1 TIP3 14256 -33.367 24.075 28.891 1.00 0.00 WAT +ATOM 49078 H2 TIP3 14256 -33.476 25.451 28.288 1.00 0.00 WAT +ATOM 49079 OH2 TIP3 14257 -29.944 19.143 16.804 1.00 0.00 WAT +ATOM 49080 H1 TIP3 14257 -29.062 18.957 17.181 1.00 0.00 WAT +ATOM 49081 H2 TIP3 14257 -29.806 19.996 16.357 1.00 0.00 WAT +ATOM 49082 OH2 TIP3 14258 -39.615 23.811 22.754 1.00 0.00 WAT +ATOM 49083 H1 TIP3 14258 -39.094 23.680 21.945 1.00 0.00 WAT +ATOM 49084 H2 TIP3 14258 -39.703 22.897 23.074 1.00 0.00 WAT +ATOM 49085 OH2 TIP3 14259 -32.390 25.844 15.878 1.00 0.00 WAT +ATOM 49086 H1 TIP3 14259 -32.627 26.670 16.330 1.00 0.00 WAT +ATOM 49087 H2 TIP3 14259 -33.112 25.251 16.154 1.00 0.00 WAT +ATOM 49088 OH2 TIP3 14260 -42.454 22.282 28.267 1.00 0.00 WAT +ATOM 49089 H1 TIP3 14260 -42.373 21.676 29.025 1.00 0.00 WAT +ATOM 49090 H2 TIP3 14260 -42.900 21.719 27.596 1.00 0.00 WAT +ATOM 49091 OH2 TIP3 14261 -35.436 21.613 29.994 1.00 0.00 WAT +ATOM 49092 H1 TIP3 14261 -35.680 21.422 29.071 1.00 0.00 WAT +ATOM 49093 H2 TIP3 14261 -34.499 21.340 29.984 1.00 0.00 WAT +ATOM 49094 OH2 TIP3 14262 -31.066 27.049 27.613 1.00 0.00 WAT +ATOM 49095 H1 TIP3 14262 -31.975 27.253 27.923 1.00 0.00 WAT +ATOM 49096 H2 TIP3 14262 -30.578 27.233 28.440 1.00 0.00 WAT +ATOM 49097 OH2 TIP3 14263 -25.359 19.118 16.543 1.00 0.00 WAT +ATOM 49098 H1 TIP3 14263 -25.900 18.914 15.756 1.00 0.00 WAT +ATOM 49099 H2 TIP3 14263 -25.237 20.077 16.392 1.00 0.00 WAT +ATOM 49100 OH2 TIP3 14264 -24.914 25.174 29.322 1.00 0.00 WAT +ATOM 49101 H1 TIP3 14264 -25.853 25.388 29.164 1.00 0.00 WAT +ATOM 49102 H2 TIP3 14264 -24.586 24.985 28.420 1.00 0.00 WAT +ATOM 49103 OH2 TIP3 14265 -27.176 27.718 16.629 1.00 0.00 WAT +ATOM 49104 H1 TIP3 14265 -27.330 26.905 17.130 1.00 0.00 WAT +ATOM 49105 H2 TIP3 14265 -26.614 27.412 15.899 1.00 0.00 WAT +ATOM 49106 OH2 TIP3 14266 -29.963 23.204 23.951 1.00 0.00 WAT +ATOM 49107 H1 TIP3 14266 -30.884 22.904 23.842 1.00 0.00 WAT +ATOM 49108 H2 TIP3 14266 -29.485 22.450 23.555 1.00 0.00 WAT +ATOM 49109 OH2 TIP3 14267 -37.255 27.146 20.033 1.00 0.00 WAT +ATOM 49110 H1 TIP3 14267 -36.885 28.034 19.920 1.00 0.00 WAT +ATOM 49111 H2 TIP3 14267 -38.194 27.295 19.850 1.00 0.00 WAT +ATOM 49112 OH2 TIP3 14268 -41.514 22.108 14.767 1.00 0.00 WAT +ATOM 49113 H1 TIP3 14268 -40.805 22.670 15.140 1.00 0.00 WAT +ATOM 49114 H2 TIP3 14268 -42.281 22.678 14.905 1.00 0.00 WAT +ATOM 49115 OH2 TIP3 14269 -35.398 24.869 19.790 1.00 0.00 WAT +ATOM 49116 H1 TIP3 14269 -35.814 25.747 19.823 1.00 0.00 WAT +ATOM 49117 H2 TIP3 14269 -36.135 24.300 20.073 1.00 0.00 WAT +ATOM 49118 OH2 TIP3 14270 -35.203 29.056 25.968 1.00 0.00 WAT +ATOM 49119 H1 TIP3 14270 -34.727 29.879 25.766 1.00 0.00 WAT +ATOM 49120 H2 TIP3 14270 -34.682 28.702 26.705 1.00 0.00 WAT +ATOM 49121 OH2 TIP3 14271 -36.779 30.091 19.224 1.00 0.00 WAT +ATOM 49122 H1 TIP3 14271 -37.740 30.144 19.352 1.00 0.00 WAT +ATOM 49123 H2 TIP3 14271 -36.491 30.978 19.508 1.00 0.00 WAT +ATOM 49124 OH2 TIP3 14272 -29.685 26.189 14.526 1.00 0.00 WAT +ATOM 49125 H1 TIP3 14272 -29.258 25.707 15.258 1.00 0.00 WAT +ATOM 49126 H2 TIP3 14272 -30.613 25.999 14.741 1.00 0.00 WAT +ATOM 49127 OH2 TIP3 14273 -28.919 29.382 27.922 1.00 0.00 WAT +ATOM 49128 H1 TIP3 14273 -29.716 29.031 27.493 1.00 0.00 WAT +ATOM 49129 H2 TIP3 14273 -28.776 30.225 27.449 1.00 0.00 WAT +ATOM 49130 OH2 TIP3 14274 -25.054 30.495 15.136 1.00 0.00 WAT +ATOM 49131 H1 TIP3 14274 -24.316 31.065 14.855 1.00 0.00 WAT +ATOM 49132 H2 TIP3 14274 -25.795 31.108 14.988 1.00 0.00 WAT +ATOM 49133 OH2 TIP3 14275 -41.051 16.759 27.645 1.00 0.00 WAT +ATOM 49134 H1 TIP3 14275 -41.884 17.231 27.812 1.00 0.00 WAT +ATOM 49135 H2 TIP3 14275 -41.180 15.919 28.123 1.00 0.00 WAT +ATOM 49136 OH2 TIP3 14276 -28.722 24.811 16.958 1.00 0.00 WAT +ATOM 49137 H1 TIP3 14276 -28.985 24.033 17.480 1.00 0.00 WAT +ATOM 49138 H2 TIP3 14276 -27.750 24.728 16.965 1.00 0.00 WAT +ATOM 49139 OH2 TIP3 14277 -41.228 28.571 26.096 1.00 0.00 WAT +ATOM 49140 H1 TIP3 14277 -41.109 27.621 26.232 1.00 0.00 WAT +ATOM 49141 H2 TIP3 14277 -40.990 28.905 26.968 1.00 0.00 WAT +ATOM 49142 OH2 TIP3 14278 -35.427 27.217 13.105 1.00 0.00 WAT +ATOM 49143 H1 TIP3 14278 -35.154 26.443 12.578 1.00 0.00 WAT +ATOM 49144 H2 TIP3 14278 -35.890 26.784 13.844 1.00 0.00 WAT +ATOM 49145 OH2 TIP3 14279 -36.610 26.726 15.782 1.00 0.00 WAT +ATOM 49146 H1 TIP3 14279 -36.139 26.162 16.414 1.00 0.00 WAT +ATOM 49147 H2 TIP3 14279 -36.479 27.625 16.145 1.00 0.00 WAT +ATOM 49148 OH2 TIP3 14280 -39.864 24.122 16.136 1.00 0.00 WAT +ATOM 49149 H1 TIP3 14280 -40.567 24.529 16.700 1.00 0.00 WAT +ATOM 49150 H2 TIP3 14280 -39.374 24.925 15.904 1.00 0.00 WAT +ATOM 49151 OH2 TIP3 14281 -32.137 16.650 26.206 1.00 0.00 WAT +ATOM 49152 H1 TIP3 14281 -31.480 16.904 26.875 1.00 0.00 WAT +ATOM 49153 H2 TIP3 14281 -32.580 15.882 26.618 1.00 0.00 WAT +ATOM 49154 OH2 TIP3 14282 -31.472 16.074 17.474 1.00 0.00 WAT +ATOM 49155 H1 TIP3 14282 -31.281 16.592 16.676 1.00 0.00 WAT +ATOM 49156 H2 TIP3 14282 -31.009 16.581 18.162 1.00 0.00 WAT +ATOM 49157 OH2 TIP3 14283 -33.576 28.640 16.536 1.00 0.00 WAT +ATOM 49158 H1 TIP3 14283 -34.527 28.847 16.543 1.00 0.00 WAT +ATOM 49159 H2 TIP3 14283 -33.348 28.756 15.599 1.00 0.00 WAT +ATOM 49160 OH2 TIP3 14284 -34.063 18.027 18.403 1.00 0.00 WAT +ATOM 49161 H1 TIP3 14284 -33.315 18.639 18.548 1.00 0.00 WAT +ATOM 49162 H2 TIP3 14284 -34.409 17.907 19.306 1.00 0.00 WAT +ATOM 49163 OH2 TIP3 14285 -33.699 18.997 27.573 1.00 0.00 WAT +ATOM 49164 H1 TIP3 14285 -33.584 19.487 28.407 1.00 0.00 WAT +ATOM 49165 H2 TIP3 14285 -33.131 18.228 27.725 1.00 0.00 WAT +ATOM 49166 OH2 TIP3 14286 -33.463 15.084 19.380 1.00 0.00 WAT +ATOM 49167 H1 TIP3 14286 -33.678 15.799 20.006 1.00 0.00 WAT +ATOM 49168 H2 TIP3 14286 -32.749 15.498 18.854 1.00 0.00 WAT +ATOM 49169 OH2 TIP3 14287 -36.388 29.417 16.431 1.00 0.00 WAT +ATOM 49170 H1 TIP3 14287 -36.569 30.190 15.861 1.00 0.00 WAT +ATOM 49171 H2 TIP3 14287 -36.625 29.757 17.315 1.00 0.00 WAT +ATOM 49172 OH2 TIP3 14288 -37.759 16.181 16.025 1.00 0.00 WAT +ATOM 49173 H1 TIP3 14288 -37.676 17.007 16.541 1.00 0.00 WAT +ATOM 49174 H2 TIP3 14288 -36.917 15.740 16.257 1.00 0.00 WAT +ATOM 49175 OH2 TIP3 14289 -27.420 16.999 28.461 1.00 0.00 WAT +ATOM 49176 H1 TIP3 14289 -28.377 17.096 28.307 1.00 0.00 WAT +ATOM 49177 H2 TIP3 14289 -27.142 16.774 27.562 1.00 0.00 WAT +ATOM 49178 OH2 TIP3 14290 -28.924 20.862 22.516 1.00 0.00 WAT +ATOM 49179 H1 TIP3 14290 -29.727 20.392 22.229 1.00 0.00 WAT +ATOM 49180 H2 TIP3 14290 -28.420 20.148 22.966 1.00 0.00 WAT +ATOM 49181 OH2 TIP3 14291 -39.298 27.003 14.958 1.00 0.00 WAT +ATOM 49182 H1 TIP3 14291 -38.511 27.397 15.364 1.00 0.00 WAT +ATOM 49183 H2 TIP3 14291 -38.877 26.427 14.305 1.00 0.00 WAT +ATOM 49184 OH2 TIP3 14292 -41.080 19.154 14.087 1.00 0.00 WAT +ATOM 49185 H1 TIP3 14292 -41.100 20.091 14.339 1.00 0.00 WAT +ATOM 49186 H2 TIP3 14292 -41.941 18.988 13.693 1.00 0.00 WAT +ATOM 49187 OH2 TIP3 14293 -27.909 29.670 23.865 1.00 0.00 WAT +ATOM 49188 H1 TIP3 14293 -28.022 30.502 23.361 1.00 0.00 WAT +ATOM 49189 H2 TIP3 14293 -26.979 29.770 24.127 1.00 0.00 WAT +ATOM 49190 OH2 TIP3 14294 -40.311 14.143 22.850 1.00 0.00 WAT +ATOM 49191 H1 TIP3 14294 -40.589 14.094 21.915 1.00 0.00 WAT +ATOM 49192 H2 TIP3 14294 -40.726 13.337 23.219 1.00 0.00 WAT +ATOM 49193 OH2 TIP3 14295 -41.330 27.814 19.133 1.00 0.00 WAT +ATOM 49194 H1 TIP3 14295 -42.264 28.073 19.208 1.00 0.00 WAT +ATOM 49195 H2 TIP3 14295 -41.090 28.174 18.269 1.00 0.00 WAT +ATOM 49196 OH2 TIP3 14296 -42.130 30.556 30.306 1.00 0.00 WAT +ATOM 49197 H1 TIP3 14296 -41.519 30.498 31.061 1.00 0.00 WAT +ATOM 49198 H2 TIP3 14296 -42.281 29.610 30.175 1.00 0.00 WAT +ATOM 49199 OH2 TIP3 14297 -37.247 29.666 32.045 1.00 0.00 WAT +ATOM 49200 H1 TIP3 14297 -36.581 29.006 32.290 1.00 0.00 WAT +ATOM 49201 H2 TIP3 14297 -37.502 29.365 31.160 1.00 0.00 WAT +ATOM 49202 OH2 TIP3 14298 -33.228 28.869 13.717 1.00 0.00 WAT +ATOM 49203 H1 TIP3 14298 -33.983 28.284 13.484 1.00 0.00 WAT +ATOM 49204 H2 TIP3 14298 -32.507 28.411 13.251 1.00 0.00 WAT +ATOM 49205 OH2 TIP3 14299 -30.752 27.872 30.601 1.00 0.00 WAT +ATOM 49206 H1 TIP3 14299 -31.168 27.106 31.039 1.00 0.00 WAT +ATOM 49207 H2 TIP3 14299 -30.099 28.149 31.271 1.00 0.00 WAT +ATOM 49208 OH2 TIP3 14300 -28.604 28.861 13.729 1.00 0.00 WAT +ATOM 49209 H1 TIP3 14300 -28.466 28.022 14.201 1.00 0.00 WAT +ATOM 49210 H2 TIP3 14300 -27.829 28.886 13.138 1.00 0.00 WAT +ATOM 49211 OH2 TIP3 14301 -42.042 24.522 30.953 1.00 0.00 WAT +ATOM 49212 H1 TIP3 14301 -41.938 23.679 30.492 1.00 0.00 WAT +ATOM 49213 H2 TIP3 14301 -42.880 24.862 30.595 1.00 0.00 WAT +ATOM 49214 OH2 TIP3 14302 -37.801 24.652 13.437 1.00 0.00 WAT +ATOM 49215 H1 TIP3 14302 -37.632 24.039 14.171 1.00 0.00 WAT +ATOM 49216 H2 TIP3 14302 -36.958 24.588 12.947 1.00 0.00 WAT +ATOM 49217 OH2 TIP3 14303 -35.340 24.424 30.697 1.00 0.00 WAT +ATOM 49218 H1 TIP3 14303 -35.695 24.740 29.852 1.00 0.00 WAT +ATOM 49219 H2 TIP3 14303 -35.287 23.457 30.567 1.00 0.00 WAT +ATOM 49220 OH2 TIP3 14304 -32.563 25.963 13.030 1.00 0.00 WAT +ATOM 49221 H1 TIP3 14304 -32.604 25.907 14.000 1.00 0.00 WAT +ATOM 49222 H2 TIP3 14304 -32.603 25.008 12.805 1.00 0.00 WAT +ATOM 49223 OH2 TIP3 14305 -30.065 24.007 27.901 1.00 0.00 WAT +ATOM 49224 H1 TIP3 14305 -29.275 24.572 27.873 1.00 0.00 WAT +ATOM 49225 H2 TIP3 14305 -30.788 24.629 28.067 1.00 0.00 WAT +ATOM 49226 OH2 TIP3 14306 -41.346 21.264 30.674 1.00 0.00 WAT +ATOM 49227 H1 TIP3 14306 -40.583 20.664 30.620 1.00 0.00 WAT +ATOM 49228 H2 TIP3 14306 -41.256 21.598 31.579 1.00 0.00 WAT +ATOM 49229 OH2 TIP3 14307 -36.719 22.723 15.775 1.00 0.00 WAT +ATOM 49230 H1 TIP3 14307 -37.317 22.216 16.346 1.00 0.00 WAT +ATOM 49231 H2 TIP3 14307 -36.438 22.034 15.136 1.00 0.00 WAT +ATOM 49232 OH2 TIP3 14308 -37.339 20.214 27.862 1.00 0.00 WAT +ATOM 49233 H1 TIP3 14308 -37.917 20.899 28.245 1.00 0.00 WAT +ATOM 49234 H2 TIP3 14308 -36.756 20.753 27.292 1.00 0.00 WAT +ATOM 49235 OH2 TIP3 14309 -35.758 20.755 14.007 1.00 0.00 WAT +ATOM 49236 H1 TIP3 14309 -35.793 20.820 13.036 1.00 0.00 WAT +ATOM 49237 H2 TIP3 14309 -34.798 20.692 14.164 1.00 0.00 WAT +ATOM 49238 OH2 TIP3 14310 -32.197 23.171 31.510 1.00 0.00 WAT +ATOM 49239 H1 TIP3 14310 -31.266 23.004 31.300 1.00 0.00 WAT +ATOM 49240 H2 TIP3 14310 -32.424 22.370 32.005 1.00 0.00 WAT +ATOM 49241 OH2 TIP3 14311 -26.281 23.240 13.344 1.00 0.00 WAT +ATOM 49242 H1 TIP3 14311 -26.333 22.809 12.476 1.00 0.00 WAT +ATOM 49243 H2 TIP3 14311 -26.310 24.183 13.080 1.00 0.00 WAT +ATOM 49244 OH2 TIP3 14312 -35.060 21.716 27.038 1.00 0.00 WAT +ATOM 49245 H1 TIP3 14312 -34.234 21.558 26.556 1.00 0.00 WAT +ATOM 49246 H2 TIP3 14312 -35.349 22.572 26.669 1.00 0.00 WAT +ATOM 49247 OH2 TIP3 14313 -30.433 19.616 31.760 1.00 0.00 WAT +ATOM 49248 H1 TIP3 14313 -30.222 18.689 31.949 1.00 0.00 WAT +ATOM 49249 H2 TIP3 14313 -29.537 19.999 31.775 1.00 0.00 WAT +ATOM 49250 OH2 TIP3 14314 -29.497 22.449 30.186 1.00 0.00 WAT +ATOM 49251 H1 TIP3 14314 -29.801 23.062 29.494 1.00 0.00 WAT +ATOM 49252 H2 TIP3 14314 -28.579 22.284 29.893 1.00 0.00 WAT +ATOM 49253 OH2 TIP3 14315 -38.628 19.511 30.576 1.00 0.00 WAT +ATOM 49254 H1 TIP3 14315 -39.159 18.731 30.811 1.00 0.00 WAT +ATOM 49255 H2 TIP3 14315 -37.720 19.189 30.593 1.00 0.00 WAT +ATOM 49256 OH2 TIP3 14316 -36.043 14.035 26.972 1.00 0.00 WAT +ATOM 49257 H1 TIP3 14316 -36.090 14.890 26.528 1.00 0.00 WAT +ATOM 49258 H2 TIP3 14316 -36.629 13.489 26.412 1.00 0.00 WAT +ATOM 49259 OH2 TIP3 14317 -34.739 18.154 30.642 1.00 0.00 WAT +ATOM 49260 H1 TIP3 14317 -34.889 17.892 31.567 1.00 0.00 WAT +ATOM 49261 H2 TIP3 14317 -35.551 17.835 30.239 1.00 0.00 WAT +ATOM 49262 OH2 TIP3 14318 -32.090 17.201 29.636 1.00 0.00 WAT +ATOM 49263 H1 TIP3 14318 -32.967 17.182 30.051 1.00 0.00 WAT +ATOM 49264 H2 TIP3 14318 -31.585 16.584 30.207 1.00 0.00 WAT +ATOM 49265 OH2 TIP3 14319 -30.313 15.681 31.276 1.00 0.00 WAT +ATOM 49266 H1 TIP3 14319 -30.350 14.724 31.474 1.00 0.00 WAT +ATOM 49267 H2 TIP3 14319 -30.369 16.093 32.159 1.00 0.00 WAT +ATOM 49268 OH2 TIP3 14320 -40.075 17.028 30.720 1.00 0.00 WAT +ATOM 49269 H1 TIP3 14320 -40.254 16.255 30.155 1.00 0.00 WAT +ATOM 49270 H2 TIP3 14320 -40.270 16.658 31.604 1.00 0.00 WAT +ATOM 49271 OH2 TIP3 14321 -36.000 13.088 29.738 1.00 0.00 WAT +ATOM 49272 H1 TIP3 14321 -35.432 12.298 29.776 1.00 0.00 WAT +ATOM 49273 H2 TIP3 14321 -36.032 13.263 28.778 1.00 0.00 WAT +ATOM 49274 OH2 TIP3 14322 -35.025 14.966 31.537 1.00 0.00 WAT +ATOM 49275 H1 TIP3 14322 -35.350 14.317 30.877 1.00 0.00 WAT +ATOM 49276 H2 TIP3 14322 -35.804 15.508 31.711 1.00 0.00 WAT +ATOM 49277 OH2 TIP3 14323 -36.014 32.108 15.164 1.00 0.00 WAT +ATOM 49278 H1 TIP3 14323 -35.053 32.081 15.170 1.00 0.00 WAT +ATOM 49279 H2 TIP3 14323 -36.183 32.410 14.258 1.00 0.00 WAT +ATOM 49280 OH2 TIP3 14324 -41.983 26.876 14.184 1.00 0.00 WAT +ATOM 49281 H1 TIP3 14324 -41.235 26.798 14.805 1.00 0.00 WAT +ATOM 49282 H2 TIP3 14324 -42.199 25.952 13.989 1.00 0.00 WAT +ATOM 49283 OH2 TIP3 14325 -42.735 29.659 21.334 1.00 0.00 WAT +ATOM 49284 H1 TIP3 14325 -42.766 28.767 21.728 1.00 0.00 WAT +ATOM 49285 H2 TIP3 14325 -42.440 30.162 22.106 1.00 0.00 WAT +ATOM 49286 OH2 TIP3 14326 -25.170 30.847 24.382 1.00 0.00 WAT +ATOM 49287 H1 TIP3 14326 -24.985 30.830 25.334 1.00 0.00 WAT +ATOM 49288 H2 TIP3 14326 -24.313 31.130 24.030 1.00 0.00 WAT +ATOM 49289 OH2 TIP3 14327 -25.276 30.292 27.245 1.00 0.00 WAT +ATOM 49290 H1 TIP3 14327 -25.744 29.517 26.884 1.00 0.00 WAT +ATOM 49291 H2 TIP3 14327 -24.703 29.855 27.895 1.00 0.00 WAT +ATOM 49292 OH2 TIP3 14328 -27.268 25.731 31.491 1.00 0.00 WAT +ATOM 49293 H1 TIP3 14328 -28.126 25.753 31.949 1.00 0.00 WAT +ATOM 49294 H2 TIP3 14328 -26.808 26.504 31.861 1.00 0.00 WAT +ATOM 49295 OH2 TIP3 14329 -25.888 24.651 17.296 1.00 0.00 WAT +ATOM 49296 H1 TIP3 14329 -24.970 24.966 17.419 1.00 0.00 WAT +ATOM 49297 H2 TIP3 14329 -25.931 23.985 18.008 1.00 0.00 WAT +ATOM 49298 OH2 TIP3 14330 -25.433 22.630 19.270 1.00 0.00 WAT +ATOM 49299 H1 TIP3 14330 -26.060 22.010 19.686 1.00 0.00 WAT +ATOM 49300 H2 TIP3 14330 -24.707 22.692 19.922 1.00 0.00 WAT +ATOM 49301 OH2 TIP3 14331 -25.780 25.168 24.137 1.00 0.00 WAT +ATOM 49302 H1 TIP3 14331 -25.142 24.597 23.676 1.00 0.00 WAT +ATOM 49303 H2 TIP3 14331 -25.424 26.051 23.928 1.00 0.00 WAT +ATOM 49304 OH2 TIP3 14332 -26.933 28.006 26.449 1.00 0.00 WAT +ATOM 49305 H1 TIP3 14332 -27.627 28.409 27.002 1.00 0.00 WAT +ATOM 49306 H2 TIP3 14332 -27.445 27.605 25.732 1.00 0.00 WAT +ATOM 49307 OH2 TIP3 14333 -25.187 22.003 15.853 1.00 0.00 WAT +ATOM 49308 H1 TIP3 14333 -25.662 22.299 15.054 1.00 0.00 WAT +ATOM 49309 H2 TIP3 14333 -25.250 22.789 16.415 1.00 0.00 WAT +ATOM 49310 OH2 TIP3 14334 -26.905 19.608 14.093 1.00 0.00 WAT +ATOM 49311 H1 TIP3 14334 -26.593 20.171 13.371 1.00 0.00 WAT +ATOM 49312 H2 TIP3 14334 -27.119 18.772 13.632 1.00 0.00 WAT +ATOM 49313 OH2 TIP3 14335 -27.505 20.716 20.066 1.00 0.00 WAT +ATOM 49314 H1 TIP3 14335 -27.531 19.757 19.911 1.00 0.00 WAT +ATOM 49315 H2 TIP3 14335 -27.864 20.794 20.970 1.00 0.00 WAT +ATOM 49316 OH2 TIP3 14336 -42.588 23.218 24.018 1.00 0.00 WAT +ATOM 49317 H1 TIP3 14336 -42.285 23.365 23.108 1.00 0.00 WAT +ATOM 49318 H2 TIP3 14336 -41.769 22.868 24.437 1.00 0.00 WAT +ATOM 49319 OH2 TIP3 14337 -26.865 22.669 29.172 1.00 0.00 WAT +ATOM 49320 H1 TIP3 14337 -26.190 21.991 29.382 1.00 0.00 WAT +ATOM 49321 H2 TIP3 14337 -26.328 23.467 29.096 1.00 0.00 WAT +ATOM 49322 OH2 TIP3 14338 -25.291 20.779 30.357 1.00 0.00 WAT +ATOM 49323 H1 TIP3 14338 -26.101 20.228 30.267 1.00 0.00 WAT +ATOM 49324 H2 TIP3 14338 -24.599 20.093 30.389 1.00 0.00 WAT +ATOM 49325 OH2 TIP3 14339 -27.419 16.951 13.331 1.00 0.00 WAT +ATOM 49326 H1 TIP3 14339 -26.810 16.431 13.885 1.00 0.00 WAT +ATOM 49327 H2 TIP3 14339 -28.198 16.384 13.250 1.00 0.00 WAT +ATOM 49328 OH2 TIP3 14340 -27.597 18.208 18.255 1.00 0.00 WAT +ATOM 49329 H1 TIP3 14340 -27.354 17.258 18.301 1.00 0.00 WAT +ATOM 49330 H2 TIP3 14340 -26.795 18.569 17.838 1.00 0.00 WAT +ATOM 49331 OH2 TIP3 14341 -27.371 18.858 23.674 1.00 0.00 WAT +ATOM 49332 H1 TIP3 14341 -26.395 18.926 23.643 1.00 0.00 WAT +ATOM 49333 H2 TIP3 14341 -27.503 18.849 24.639 1.00 0.00 WAT +ATOM 49334 OH2 TIP3 14342 -27.215 19.508 26.477 1.00 0.00 WAT +ATOM 49335 H1 TIP3 14342 -28.055 19.906 26.772 1.00 0.00 WAT +ATOM 49336 H2 TIP3 14342 -26.669 20.295 26.294 1.00 0.00 WAT +ATOM 49337 OH2 TIP3 14343 -42.836 18.041 29.863 1.00 0.00 WAT +ATOM 49338 H1 TIP3 14343 -41.985 17.771 30.240 1.00 0.00 WAT +ATOM 49339 H2 TIP3 14343 -43.480 17.445 30.278 1.00 0.00 WAT +ATOM 49340 OH2 TIP3 14344 -24.602 13.642 31.775 1.00 0.00 WAT +ATOM 49341 H1 TIP3 14344 -24.239 12.972 31.170 1.00 0.00 WAT +ATOM 49342 H2 TIP3 14344 -24.616 14.443 31.218 1.00 0.00 WAT +ATOM 49343 OH2 TIP3 14345 -27.131 15.427 18.221 1.00 0.00 WAT +ATOM 49344 H1 TIP3 14345 -26.992 15.084 19.122 1.00 0.00 WAT +ATOM 49345 H2 TIP3 14345 -27.920 14.920 17.941 1.00 0.00 WAT +ATOM 49346 OH2 TIP3 14346 -41.638 16.793 23.327 1.00 0.00 WAT +ATOM 49347 H1 TIP3 14346 -41.196 15.940 23.181 1.00 0.00 WAT +ATOM 49348 H2 TIP3 14346 -40.953 17.450 23.139 1.00 0.00 WAT +ATOM 49349 OH2 TIP3 14347 -43.079 19.509 23.839 1.00 0.00 WAT +ATOM 49350 H1 TIP3 14347 -42.525 19.038 23.203 1.00 0.00 WAT +ATOM 49351 H2 TIP3 14347 -42.697 20.393 23.793 1.00 0.00 WAT +ATOM 49352 OH2 TIP3 14348 -25.259 15.702 30.041 1.00 0.00 WAT +ATOM 49353 H1 TIP3 14348 -26.127 16.132 30.163 1.00 0.00 WAT +ATOM 49354 H2 TIP3 14348 -25.432 15.180 29.236 1.00 0.00 WAT +ATOM 49355 OH2 TIP3 14349 -25.158 15.895 14.885 1.00 0.00 WAT +ATOM 49356 H1 TIP3 14349 -24.849 15.093 14.428 1.00 0.00 WAT +ATOM 49357 H2 TIP3 14349 -24.337 16.408 14.965 1.00 0.00 WAT +ATOM 49358 OH2 TIP3 14350 -43.180 15.444 17.688 1.00 0.00 WAT +ATOM 49359 H1 TIP3 14350 -43.999 15.799 17.311 1.00 0.00 WAT +ATOM 49360 H2 TIP3 14350 -42.546 16.085 17.291 1.00 0.00 WAT +ATOM 49361 OH2 TIP3 14351 -28.252 30.973 20.125 1.00 0.00 WAT +ATOM 49362 H1 TIP3 14351 -27.708 30.660 19.377 1.00 0.00 WAT +ATOM 49363 H2 TIP3 14351 -27.572 31.323 20.720 1.00 0.00 WAT +ATOM 49364 OH2 TIP3 14352 -42.898 14.389 25.970 1.00 0.00 WAT +ATOM 49365 H1 TIP3 14352 -43.580 14.300 26.678 1.00 0.00 WAT +ATOM 49366 H2 TIP3 14352 -43.344 14.870 25.260 1.00 0.00 WAT +ATOM 49367 OH2 TIP3 14353 -41.152 27.912 30.670 1.00 0.00 WAT +ATOM 49368 H1 TIP3 14353 -41.757 27.350 30.176 1.00 0.00 WAT +ATOM 49369 H2 TIP3 14353 -41.319 27.600 31.590 1.00 0.00 WAT +ATOM 49370 OH2 TIP3 14354 -38.002 28.585 26.585 1.00 0.00 WAT +ATOM 49371 H1 TIP3 14354 -38.369 29.411 26.223 1.00 0.00 WAT +ATOM 49372 H2 TIP3 14354 -37.057 28.708 26.378 1.00 0.00 WAT +ATOM 49373 OH2 TIP3 14355 -33.483 29.838 29.567 1.00 0.00 WAT +ATOM 49374 H1 TIP3 14355 -33.403 29.726 30.531 1.00 0.00 WAT +ATOM 49375 H2 TIP3 14355 -32.665 30.334 29.360 1.00 0.00 WAT +ATOM 49376 OH2 TIP3 14356 -31.201 31.265 28.757 1.00 0.00 WAT +ATOM 49377 H1 TIP3 14356 -30.474 30.633 28.673 1.00 0.00 WAT +ATOM 49378 H2 TIP3 14356 -30.951 31.706 29.593 1.00 0.00 WAT +ATOM 49379 OH2 TIP3 14357 -26.386 13.956 28.003 1.00 0.00 WAT +ATOM 49380 H1 TIP3 14357 -27.201 14.149 27.509 1.00 0.00 WAT +ATOM 49381 H2 TIP3 14357 -26.177 13.053 27.684 1.00 0.00 WAT +ATOM 49382 OH2 TIP3 14358 -40.687 31.643 26.826 1.00 0.00 WAT +ATOM 49383 H1 TIP3 14358 -41.366 32.153 26.346 1.00 0.00 WAT +ATOM 49384 H2 TIP3 14358 -40.993 31.737 27.736 1.00 0.00 WAT +ATOM 49385 OH2 TIP3 14359 -38.167 31.317 25.459 1.00 0.00 WAT +ATOM 49386 H1 TIP3 14359 -39.038 31.483 25.878 1.00 0.00 WAT +ATOM 49387 H2 TIP3 14359 -38.155 32.002 24.767 1.00 0.00 WAT +ATOM 49388 OH2 TIP3 14360 -33.347 31.309 25.011 1.00 0.00 WAT +ATOM 49389 H1 TIP3 14360 -33.800 31.773 24.283 1.00 0.00 WAT +ATOM 49390 H2 TIP3 14360 -33.276 32.031 25.670 1.00 0.00 WAT +ATOM 49391 OH2 TIP3 14361 -31.072 29.717 25.675 1.00 0.00 WAT +ATOM 49392 H1 TIP3 14361 -31.912 30.206 25.574 1.00 0.00 WAT +ATOM 49393 H2 TIP3 14361 -30.452 30.458 25.782 1.00 0.00 WAT +ATOM 49394 OH2 TIP3 14362 -28.641 31.691 26.095 1.00 0.00 WAT +ATOM 49395 H1 TIP3 14362 -28.685 32.660 25.961 1.00 0.00 WAT +ATOM 49396 H2 TIP3 14362 -28.249 31.421 25.248 1.00 0.00 WAT +ATOM 49397 OH2 TIP3 14363 -41.236 30.431 23.823 1.00 0.00 WAT +ATOM 49398 H1 TIP3 14363 -41.351 29.946 24.666 1.00 0.00 WAT +ATOM 49399 H2 TIP3 14363 -40.516 29.920 23.418 1.00 0.00 WAT +ATOM 49400 OH2 TIP3 14364 -39.089 29.122 22.277 1.00 0.00 WAT +ATOM 49401 H1 TIP3 14364 -39.294 28.210 22.577 1.00 0.00 WAT +ATOM 49402 H2 TIP3 14364 -38.216 29.275 22.676 1.00 0.00 WAT +ATOM 49403 OH2 TIP3 14365 -36.246 29.562 23.147 1.00 0.00 WAT +ATOM 49404 H1 TIP3 14365 -36.148 28.615 22.950 1.00 0.00 WAT +ATOM 49405 H2 TIP3 14365 -36.255 29.544 24.117 1.00 0.00 WAT +ATOM 49406 OH2 TIP3 14366 -32.984 15.458 22.493 1.00 0.00 WAT +ATOM 49407 H1 TIP3 14366 -33.669 14.774 22.619 1.00 0.00 WAT +ATOM 49408 H2 TIP3 14366 -32.385 15.017 21.869 1.00 0.00 WAT +ATOM 49409 OH2 TIP3 14367 -28.021 13.484 22.957 1.00 0.00 WAT +ATOM 49410 H1 TIP3 14367 -27.254 13.902 22.527 1.00 0.00 WAT +ATOM 49411 H2 TIP3 14367 -28.756 13.749 22.379 1.00 0.00 WAT +ATOM 49412 OH2 TIP3 14368 -25.953 14.574 20.805 1.00 0.00 WAT +ATOM 49413 H1 TIP3 14368 -25.234 14.131 20.313 1.00 0.00 WAT +ATOM 49414 H2 TIP3 14368 -25.601 15.483 20.890 1.00 0.00 WAT +ATOM 49415 OH2 TIP3 14369 -41.113 13.987 20.069 1.00 0.00 WAT +ATOM 49416 H1 TIP3 14369 -41.761 13.761 19.391 1.00 0.00 WAT +ATOM 49417 H2 TIP3 14369 -40.430 13.310 19.914 1.00 0.00 WAT +ATOM 49418 OH2 TIP3 14370 -41.800 13.635 15.844 1.00 0.00 WAT +ATOM 49419 H1 TIP3 14370 -41.296 14.299 15.332 1.00 0.00 WAT +ATOM 49420 H2 TIP3 14370 -42.346 14.210 16.408 1.00 0.00 WAT +ATOM 49421 OH2 TIP3 14371 -36.122 13.903 19.915 1.00 0.00 WAT +ATOM 49422 H1 TIP3 14371 -35.241 14.286 19.769 1.00 0.00 WAT +ATOM 49423 H2 TIP3 14371 -36.165 13.895 20.877 1.00 0.00 WAT +ATOM 49424 OH2 TIP3 14372 -30.554 14.031 21.326 1.00 0.00 WAT +ATOM 49425 H1 TIP3 14372 -30.291 13.871 20.409 1.00 0.00 WAT +ATOM 49426 H2 TIP3 14372 -30.934 13.169 21.575 1.00 0.00 WAT +ATOM 49427 OH2 TIP3 14373 -29.447 14.025 17.330 1.00 0.00 WAT +ATOM 49428 H1 TIP3 14373 -30.270 14.523 17.171 1.00 0.00 WAT +ATOM 49429 H2 TIP3 14373 -29.791 13.122 17.448 1.00 0.00 WAT +ATOM 49430 OH2 TIP3 14374 -41.847 29.657 16.852 1.00 0.00 WAT +ATOM 49431 H1 TIP3 14374 -42.506 29.446 16.181 1.00 0.00 WAT +ATOM 49432 H2 TIP3 14374 -41.849 30.623 16.839 1.00 0.00 WAT +ATOM 49433 OH2 TIP3 14375 -40.031 15.494 14.386 1.00 0.00 WAT +ATOM 49434 H1 TIP3 14375 -39.427 14.945 13.858 1.00 0.00 WAT +ATOM 49435 H2 TIP3 14375 -39.428 15.823 15.082 1.00 0.00 WAT +ATOM 49436 OH2 TIP3 14376 -34.987 15.671 16.962 1.00 0.00 WAT +ATOM 49437 H1 TIP3 14376 -34.675 15.065 17.650 1.00 0.00 WAT +ATOM 49438 H2 TIP3 14376 -34.752 16.526 17.363 1.00 0.00 WAT +ATOM 49439 OH2 TIP3 14377 -32.725 31.704 15.399 1.00 0.00 WAT +ATOM 49440 H1 TIP3 14377 -31.828 31.340 15.230 1.00 0.00 WAT +ATOM 49441 H2 TIP3 14377 -33.239 31.009 14.958 1.00 0.00 WAT +ATOM 49442 OH2 TIP3 14378 -26.555 30.442 17.807 1.00 0.00 WAT +ATOM 49443 H1 TIP3 14378 -26.677 29.576 17.365 1.00 0.00 WAT +ATOM 49444 H2 TIP3 14378 -26.285 30.986 17.054 1.00 0.00 WAT +ATOM 49445 OH2 TIP3 14379 -40.766 14.460 29.601 1.00 0.00 WAT +ATOM 49446 H1 TIP3 14379 -41.271 13.692 29.919 1.00 0.00 WAT +ATOM 49447 H2 TIP3 14379 -39.867 14.214 29.887 1.00 0.00 WAT +ATOM 49448 OH2 TIP3 14380 -38.431 13.775 31.266 1.00 0.00 WAT +ATOM 49449 H1 TIP3 14380 -37.620 13.391 30.877 1.00 0.00 WAT +ATOM 49450 H2 TIP3 14380 -38.772 13.006 31.760 1.00 0.00 WAT +ATOM 49451 OH2 TIP3 14381 -40.095 30.668 13.854 1.00 0.00 WAT +ATOM 49452 H1 TIP3 14381 -40.429 30.818 14.750 1.00 0.00 WAT +ATOM 49453 H2 TIP3 14381 -39.445 29.961 13.995 1.00 0.00 WAT +ATOM 49454 OH2 TIP3 14382 -30.301 12.879 31.467 1.00 0.00 WAT +ATOM 49455 H1 TIP3 14382 -30.274 12.463 32.351 1.00 0.00 WAT +ATOM 49456 H2 TIP3 14382 -29.361 12.838 31.210 1.00 0.00 WAT +ATOM 49457 OH2 TIP3 14383 -26.924 29.240 30.133 1.00 0.00 WAT +ATOM 49458 H1 TIP3 14383 -27.698 29.035 29.584 1.00 0.00 WAT +ATOM 49459 H2 TIP3 14383 -27.106 30.169 30.375 1.00 0.00 WAT +ATOM 49460 OH2 TIP3 14384 -13.784 22.296 23.282 1.00 0.00 WAT +ATOM 49461 H1 TIP3 14384 -13.892 21.795 24.104 1.00 0.00 WAT +ATOM 49462 H2 TIP3 14384 -14.197 21.704 22.637 1.00 0.00 WAT +ATOM 49463 OH2 TIP3 14385 -21.451 21.937 25.050 1.00 0.00 WAT +ATOM 49464 H1 TIP3 14385 -21.439 21.181 25.666 1.00 0.00 WAT +ATOM 49465 H2 TIP3 14385 -20.708 22.459 25.387 1.00 0.00 WAT +ATOM 49466 OH2 TIP3 14386 -10.048 25.097 21.713 1.00 0.00 WAT +ATOM 49467 H1 TIP3 14386 -10.582 24.416 22.138 1.00 0.00 WAT +ATOM 49468 H2 TIP3 14386 -9.948 25.747 22.416 1.00 0.00 WAT +ATOM 49469 OH2 TIP3 14387 -20.784 26.557 23.551 1.00 0.00 WAT +ATOM 49470 H1 TIP3 14387 -20.989 25.638 23.278 1.00 0.00 WAT +ATOM 49471 H2 TIP3 14387 -19.837 26.460 23.743 1.00 0.00 WAT +ATOM 49472 OH2 TIP3 14388 -23.779 19.958 18.930 1.00 0.00 WAT +ATOM 49473 H1 TIP3 14388 -24.165 20.844 18.992 1.00 0.00 WAT +ATOM 49474 H2 TIP3 14388 -24.484 19.465 18.492 1.00 0.00 WAT +ATOM 49475 OH2 TIP3 14389 -22.977 22.420 20.774 1.00 0.00 WAT +ATOM 49476 H1 TIP3 14389 -22.812 21.588 21.260 1.00 0.00 WAT +ATOM 49477 H2 TIP3 14389 -22.126 22.554 20.334 1.00 0.00 WAT +ATOM 49478 OH2 TIP3 14390 -13.083 30.481 22.299 1.00 0.00 WAT +ATOM 49479 H1 TIP3 14390 -12.588 29.739 21.899 1.00 0.00 WAT +ATOM 49480 H2 TIP3 14390 -13.435 30.059 23.092 1.00 0.00 WAT +ATOM 49481 OH2 TIP3 14391 -15.422 24.829 23.977 1.00 0.00 WAT +ATOM 49482 H1 TIP3 14391 -15.100 24.219 23.293 1.00 0.00 WAT +ATOM 49483 H2 TIP3 14391 -14.585 24.988 24.454 1.00 0.00 WAT +ATOM 49484 OH2 TIP3 14392 -6.650 16.483 24.773 1.00 0.00 WAT +ATOM 49485 H1 TIP3 14392 -6.631 17.363 25.171 1.00 0.00 WAT +ATOM 49486 H2 TIP3 14392 -6.088 16.647 23.987 1.00 0.00 WAT +ATOM 49487 OH2 TIP3 14393 -12.119 19.175 24.431 1.00 0.00 WAT +ATOM 49488 H1 TIP3 14393 -11.988 18.213 24.431 1.00 0.00 WAT +ATOM 49489 H2 TIP3 14393 -12.172 19.363 23.481 1.00 0.00 WAT +ATOM 49490 OH2 TIP3 14394 -19.140 17.189 21.524 1.00 0.00 WAT +ATOM 49491 H1 TIP3 14394 -18.990 18.042 21.070 1.00 0.00 WAT +ATOM 49492 H2 TIP3 14394 -19.485 16.664 20.776 1.00 0.00 WAT +ATOM 49493 OH2 TIP3 14395 -11.304 17.375 19.854 1.00 0.00 WAT +ATOM 49494 H1 TIP3 14395 -10.679 16.951 20.481 1.00 0.00 WAT +ATOM 49495 H2 TIP3 14395 -10.684 17.800 19.242 1.00 0.00 WAT +ATOM 49496 OH2 TIP3 14396 -22.458 19.921 22.034 1.00 0.00 WAT +ATOM 49497 H1 TIP3 14396 -21.812 19.459 22.593 1.00 0.00 WAT +ATOM 49498 H2 TIP3 14396 -22.358 19.442 21.191 1.00 0.00 WAT +ATOM 49499 OH2 TIP3 14397 -17.098 21.307 21.528 1.00 0.00 WAT +ATOM 49500 H1 TIP3 14397 -16.373 20.756 21.880 1.00 0.00 WAT +ATOM 49501 H2 TIP3 14397 -17.583 20.660 20.983 1.00 0.00 WAT +ATOM 49502 OH2 TIP3 14398 -20.332 15.987 25.685 1.00 0.00 WAT +ATOM 49503 H1 TIP3 14398 -20.742 16.481 24.959 1.00 0.00 WAT +ATOM 49504 H2 TIP3 14398 -20.996 16.127 26.393 1.00 0.00 WAT +ATOM 49505 OH2 TIP3 14399 -17.389 23.873 25.831 1.00 0.00 WAT +ATOM 49506 H1 TIP3 14399 -18.130 24.477 26.049 1.00 0.00 WAT +ATOM 49507 H2 TIP3 14399 -16.774 24.461 25.351 1.00 0.00 WAT +ATOM 49508 OH2 TIP3 14400 -9.458 16.595 21.897 1.00 0.00 WAT +ATOM 49509 H1 TIP3 14400 -9.858 16.022 22.563 1.00 0.00 WAT +ATOM 49510 H2 TIP3 14400 -8.947 17.218 22.441 1.00 0.00 WAT +ATOM 49511 OH2 TIP3 14401 -20.738 18.039 23.616 1.00 0.00 WAT +ATOM 49512 H1 TIP3 14401 -20.088 18.607 24.081 1.00 0.00 WAT +ATOM 49513 H2 TIP3 14401 -20.167 17.671 22.905 1.00 0.00 WAT +ATOM 49514 OH2 TIP3 14402 -19.422 25.739 26.529 1.00 0.00 WAT +ATOM 49515 H1 TIP3 14402 -19.451 26.660 26.213 1.00 0.00 WAT +ATOM 49516 H2 TIP3 14402 -20.284 25.685 26.982 1.00 0.00 WAT +ATOM 49517 OH2 TIP3 14403 -23.143 25.453 17.415 1.00 0.00 WAT +ATOM 49518 H1 TIP3 14403 -23.264 25.947 16.585 1.00 0.00 WAT +ATOM 49519 H2 TIP3 14403 -22.930 26.150 18.069 1.00 0.00 WAT +ATOM 49520 OH2 TIP3 14404 -9.648 26.917 24.261 1.00 0.00 WAT +ATOM 49521 H1 TIP3 14404 -10.618 27.012 24.219 1.00 0.00 WAT +ATOM 49522 H2 TIP3 14404 -9.370 27.738 23.820 1.00 0.00 WAT +ATOM 49523 OH2 TIP3 14405 -9.320 15.684 25.778 1.00 0.00 WAT +ATOM 49524 H1 TIP3 14405 -10.083 16.115 25.347 1.00 0.00 WAT +ATOM 49525 H2 TIP3 14405 -8.592 15.947 25.187 1.00 0.00 WAT +ATOM 49526 OH2 TIP3 14406 -16.163 13.465 22.824 1.00 0.00 WAT +ATOM 49527 H1 TIP3 14406 -16.440 12.538 22.726 1.00 0.00 WAT +ATOM 49528 H2 TIP3 14406 -16.999 13.891 23.111 1.00 0.00 WAT +ATOM 49529 OH2 TIP3 14407 -11.313 28.765 20.836 1.00 0.00 WAT +ATOM 49530 H1 TIP3 14407 -10.892 27.977 20.440 1.00 0.00 WAT +ATOM 49531 H2 TIP3 14407 -10.720 29.477 20.543 1.00 0.00 WAT +ATOM 49532 OH2 TIP3 14408 -9.912 26.595 19.224 1.00 0.00 WAT +ATOM 49533 H1 TIP3 14408 -10.541 26.090 18.655 1.00 0.00 WAT +ATOM 49534 H2 TIP3 14408 -9.883 25.987 19.984 1.00 0.00 WAT +ATOM 49535 OH2 TIP3 14409 -8.354 25.497 27.857 1.00 0.00 WAT +ATOM 49536 H1 TIP3 14409 -8.468 24.871 27.117 1.00 0.00 WAT +ATOM 49537 H2 TIP3 14409 -8.242 26.342 27.381 1.00 0.00 WAT +ATOM 49538 OH2 TIP3 14410 -13.993 20.224 14.873 1.00 0.00 WAT +ATOM 49539 H1 TIP3 14410 -13.331 20.833 15.227 1.00 0.00 WAT +ATOM 49540 H2 TIP3 14410 -13.690 20.064 13.978 1.00 0.00 WAT +ATOM 49541 OH2 TIP3 14411 -6.585 21.686 25.803 1.00 0.00 WAT +ATOM 49542 H1 TIP3 14411 -7.332 22.312 25.863 1.00 0.00 WAT +ATOM 49543 H2 TIP3 14411 -6.111 22.046 25.026 1.00 0.00 WAT +ATOM 49544 OH2 TIP3 14412 -10.650 20.829 27.447 1.00 0.00 WAT +ATOM 49545 H1 TIP3 14412 -10.661 21.619 28.008 1.00 0.00 WAT +ATOM 49546 H2 TIP3 14412 -11.269 21.124 26.757 1.00 0.00 WAT +ATOM 49547 OH2 TIP3 14413 -19.074 23.154 20.429 1.00 0.00 WAT +ATOM 49548 H1 TIP3 14413 -19.285 22.739 19.571 1.00 0.00 WAT +ATOM 49549 H2 TIP3 14413 -18.337 22.599 20.742 1.00 0.00 WAT +ATOM 49550 OH2 TIP3 14414 -17.656 26.571 23.165 1.00 0.00 WAT +ATOM 49551 H1 TIP3 14414 -17.719 26.246 22.254 1.00 0.00 WAT +ATOM 49552 H2 TIP3 14414 -16.840 26.131 23.471 1.00 0.00 WAT +ATOM 49553 OH2 TIP3 14415 -18.416 21.999 23.929 1.00 0.00 WAT +ATOM 49554 H1 TIP3 14415 -17.874 22.015 23.115 1.00 0.00 WAT +ATOM 49555 H2 TIP3 14415 -17.990 22.679 24.483 1.00 0.00 WAT +ATOM 49556 OH2 TIP3 14416 -12.493 27.545 24.497 1.00 0.00 WAT +ATOM 49557 H1 TIP3 14416 -12.427 28.181 25.227 1.00 0.00 WAT +ATOM 49558 H2 TIP3 14416 -12.689 26.703 24.943 1.00 0.00 WAT +ATOM 49559 OH2 TIP3 14417 -17.559 26.324 28.735 1.00 0.00 WAT +ATOM 49560 H1 TIP3 14417 -18.080 26.990 29.219 1.00 0.00 WAT +ATOM 49561 H2 TIP3 14417 -18.191 26.052 28.043 1.00 0.00 WAT +ATOM 49562 OH2 TIP3 14418 -11.536 21.632 16.215 1.00 0.00 WAT +ATOM 49563 H1 TIP3 14418 -11.436 22.255 16.960 1.00 0.00 WAT +ATOM 49564 H2 TIP3 14418 -11.225 22.226 15.498 1.00 0.00 WAT +ATOM 49565 OH2 TIP3 14419 -20.631 22.739 27.846 1.00 0.00 WAT +ATOM 49566 H1 TIP3 14419 -20.581 23.290 28.648 1.00 0.00 WAT +ATOM 49567 H2 TIP3 14419 -21.586 22.569 27.786 1.00 0.00 WAT +ATOM 49568 OH2 TIP3 14420 -14.426 28.456 19.862 1.00 0.00 WAT +ATOM 49569 H1 TIP3 14420 -13.592 28.614 20.313 1.00 0.00 WAT +ATOM 49570 H2 TIP3 14420 -14.596 29.257 19.352 1.00 0.00 WAT +ATOM 49571 OH2 TIP3 14421 -19.463 28.522 29.564 1.00 0.00 WAT +ATOM 49572 H1 TIP3 14421 -19.574 28.544 28.598 1.00 0.00 WAT +ATOM 49573 H2 TIP3 14421 -20.342 28.239 29.883 1.00 0.00 WAT +ATOM 49574 OH2 TIP3 14422 -7.889 13.460 15.852 1.00 0.00 WAT +ATOM 49575 H1 TIP3 14422 -8.848 13.543 15.977 1.00 0.00 WAT +ATOM 49576 H2 TIP3 14422 -7.610 14.370 15.674 1.00 0.00 WAT +ATOM 49577 OH2 TIP3 14423 -20.013 21.931 17.913 1.00 0.00 WAT +ATOM 49578 H1 TIP3 14423 -20.194 22.688 17.330 1.00 0.00 WAT +ATOM 49579 H2 TIP3 14423 -20.704 21.309 17.653 1.00 0.00 WAT +ATOM 49580 OH2 TIP3 14424 -6.832 27.765 14.068 1.00 0.00 WAT +ATOM 49581 H1 TIP3 14424 -6.681 28.682 14.372 1.00 0.00 WAT +ATOM 49582 H2 TIP3 14424 -5.985 27.343 14.310 1.00 0.00 WAT +ATOM 49583 OH2 TIP3 14425 -24.070 24.594 26.676 1.00 0.00 WAT +ATOM 49584 H1 TIP3 14425 -24.394 24.533 25.761 1.00 0.00 WAT +ATOM 49585 H2 TIP3 14425 -23.852 23.662 26.874 1.00 0.00 WAT +ATOM 49586 OH2 TIP3 14426 -23.976 27.506 23.643 1.00 0.00 WAT +ATOM 49587 H1 TIP3 14426 -23.046 27.227 23.621 1.00 0.00 WAT +ATOM 49588 H2 TIP3 14426 -23.953 28.150 24.368 1.00 0.00 WAT +ATOM 49589 OH2 TIP3 14427 -5.569 28.145 29.380 1.00 0.00 WAT +ATOM 49590 H1 TIP3 14427 -5.669 27.199 29.175 1.00 0.00 WAT +ATOM 49591 H2 TIP3 14427 -6.482 28.373 29.661 1.00 0.00 WAT +ATOM 49592 OH2 TIP3 14428 -14.918 27.367 28.178 1.00 0.00 WAT +ATOM 49593 H1 TIP3 14428 -14.857 28.200 28.686 1.00 0.00 WAT +ATOM 49594 H2 TIP3 14428 -15.824 27.069 28.394 1.00 0.00 WAT +ATOM 49595 OH2 TIP3 14429 -14.663 31.171 18.138 1.00 0.00 WAT +ATOM 49596 H1 TIP3 14429 -14.628 31.229 17.166 1.00 0.00 WAT +ATOM 49597 H2 TIP3 14429 -14.566 32.090 18.423 1.00 0.00 WAT +ATOM 49598 OH2 TIP3 14430 -20.858 30.350 19.779 1.00 0.00 WAT +ATOM 49599 H1 TIP3 14430 -20.658 29.885 20.617 1.00 0.00 WAT +ATOM 49600 H2 TIP3 14430 -21.657 29.889 19.491 1.00 0.00 WAT +ATOM 49601 OH2 TIP3 14431 -11.304 30.602 15.316 1.00 0.00 WAT +ATOM 49602 H1 TIP3 14431 -10.796 29.908 14.856 1.00 0.00 WAT +ATOM 49603 H2 TIP3 14431 -11.370 30.225 16.214 1.00 0.00 WAT +ATOM 49604 OH2 TIP3 14432 -11.940 30.062 18.194 1.00 0.00 WAT +ATOM 49605 H1 TIP3 14432 -12.908 30.142 18.252 1.00 0.00 WAT +ATOM 49606 H2 TIP3 14432 -11.810 29.186 18.592 1.00 0.00 WAT +ATOM 49607 OH2 TIP3 14433 -8.691 19.354 29.636 1.00 0.00 WAT +ATOM 49608 H1 TIP3 14433 -9.233 20.038 29.211 1.00 0.00 WAT +ATOM 49609 H2 TIP3 14433 -9.238 18.581 29.418 1.00 0.00 WAT +ATOM 49610 OH2 TIP3 14434 -21.830 26.167 27.935 1.00 0.00 WAT +ATOM 49611 H1 TIP3 14434 -21.533 25.693 28.740 1.00 0.00 WAT +ATOM 49612 H2 TIP3 14434 -22.538 25.597 27.594 1.00 0.00 WAT +ATOM 49613 OH2 TIP3 14435 -18.627 14.584 23.706 1.00 0.00 WAT +ATOM 49614 H1 TIP3 14435 -19.434 14.555 23.160 1.00 0.00 WAT +ATOM 49615 H2 TIP3 14435 -18.837 15.348 24.267 1.00 0.00 WAT +ATOM 49616 OH2 TIP3 14436 -14.231 14.221 27.284 1.00 0.00 WAT +ATOM 49617 H1 TIP3 14436 -13.722 13.719 27.948 1.00 0.00 WAT +ATOM 49618 H2 TIP3 14436 -15.147 13.920 27.431 1.00 0.00 WAT +ATOM 49619 OH2 TIP3 14437 -10.603 17.885 28.199 1.00 0.00 WAT +ATOM 49620 H1 TIP3 14437 -11.397 17.595 28.680 1.00 0.00 WAT +ATOM 49621 H2 TIP3 14437 -10.934 18.639 27.683 1.00 0.00 WAT +ATOM 49622 OH2 TIP3 14438 -10.213 22.931 14.060 1.00 0.00 WAT +ATOM 49623 H1 TIP3 14438 -10.289 22.537 13.178 1.00 0.00 WAT +ATOM 49624 H2 TIP3 14438 -9.269 23.125 14.135 1.00 0.00 WAT +ATOM 49625 OH2 TIP3 14439 -14.422 16.688 14.411 1.00 0.00 WAT +ATOM 49626 H1 TIP3 14439 -14.910 16.695 15.242 1.00 0.00 WAT +ATOM 49627 H2 TIP3 14439 -14.835 15.945 13.947 1.00 0.00 WAT +ATOM 49628 OH2 TIP3 14440 -18.764 19.408 25.075 1.00 0.00 WAT +ATOM 49629 H1 TIP3 14440 -19.316 19.539 25.862 1.00 0.00 WAT +ATOM 49630 H2 TIP3 14440 -18.674 20.322 24.728 1.00 0.00 WAT +ATOM 49631 OH2 TIP3 14441 -18.822 19.490 19.972 1.00 0.00 WAT +ATOM 49632 H1 TIP3 14441 -19.773 19.382 19.793 1.00 0.00 WAT +ATOM 49633 H2 TIP3 14441 -18.453 19.310 19.084 1.00 0.00 WAT +ATOM 49634 OH2 TIP3 14442 -13.314 20.316 18.621 1.00 0.00 WAT +ATOM 49635 H1 TIP3 14442 -13.616 21.189 18.324 1.00 0.00 WAT +ATOM 49636 H2 TIP3 14442 -12.640 20.122 17.951 1.00 0.00 WAT +ATOM 49637 OH2 TIP3 14443 -14.023 20.264 30.107 1.00 0.00 WAT +ATOM 49638 H1 TIP3 14443 -14.530 19.506 30.461 1.00 0.00 WAT +ATOM 49639 H2 TIP3 14443 -13.143 20.123 30.503 1.00 0.00 WAT +ATOM 49640 OH2 TIP3 14444 -12.394 19.487 21.398 1.00 0.00 WAT +ATOM 49641 H1 TIP3 14444 -12.659 20.057 20.650 1.00 0.00 WAT +ATOM 49642 H2 TIP3 14444 -12.150 18.675 20.905 1.00 0.00 WAT +ATOM 49643 OH2 TIP3 14445 -21.448 19.595 26.939 1.00 0.00 WAT +ATOM 49644 H1 TIP3 14445 -21.122 19.878 27.802 1.00 0.00 WAT +ATOM 49645 H2 TIP3 14445 -21.761 18.694 27.135 1.00 0.00 WAT +ATOM 49646 OH2 TIP3 14446 -17.870 17.237 13.424 1.00 0.00 WAT +ATOM 49647 H1 TIP3 14446 -18.185 16.836 14.256 1.00 0.00 WAT +ATOM 49648 H2 TIP3 14446 -18.688 17.380 12.939 1.00 0.00 WAT +ATOM 49649 OH2 TIP3 14447 -24.583 17.047 20.577 1.00 0.00 WAT +ATOM 49650 H1 TIP3 14447 -23.956 17.018 21.323 1.00 0.00 WAT +ATOM 49651 H2 TIP3 14447 -24.078 16.664 19.841 1.00 0.00 WAT +ATOM 49652 OH2 TIP3 14448 -22.977 17.486 16.266 1.00 0.00 WAT +ATOM 49653 H1 TIP3 14448 -22.423 17.962 15.615 1.00 0.00 WAT +ATOM 49654 H2 TIP3 14448 -23.672 18.143 16.443 1.00 0.00 WAT +ATOM 49655 OH2 TIP3 14449 -13.248 21.136 25.998 1.00 0.00 WAT +ATOM 49656 H1 TIP3 14449 -12.817 20.427 25.471 1.00 0.00 WAT +ATOM 49657 H2 TIP3 14449 -13.571 20.644 26.764 1.00 0.00 WAT +ATOM 49658 OH2 TIP3 14450 -16.047 17.057 20.967 1.00 0.00 WAT +ATOM 49659 H1 TIP3 14450 -16.994 17.014 21.181 1.00 0.00 WAT +ATOM 49660 H2 TIP3 14450 -15.639 16.888 21.829 1.00 0.00 WAT +ATOM 49661 OH2 TIP3 14451 -21.490 18.297 19.678 1.00 0.00 WAT +ATOM 49662 H1 TIP3 14451 -22.296 18.563 19.202 1.00 0.00 WAT +ATOM 49663 H2 TIP3 14451 -21.189 17.508 19.186 1.00 0.00 WAT +ATOM 49664 OH2 TIP3 14452 -17.847 18.708 17.379 1.00 0.00 WAT +ATOM 49665 H1 TIP3 14452 -16.874 18.730 17.394 1.00 0.00 WAT +ATOM 49666 H2 TIP3 14452 -18.081 19.264 16.617 1.00 0.00 WAT +ATOM 49667 OH2 TIP3 14453 -11.634 16.194 24.037 1.00 0.00 WAT +ATOM 49668 H1 TIP3 14453 -12.275 16.231 24.778 1.00 0.00 WAT +ATOM 49669 H2 TIP3 14453 -12.212 15.870 23.322 1.00 0.00 WAT +ATOM 49670 OH2 TIP3 14454 -19.107 19.913 14.926 1.00 0.00 WAT +ATOM 49671 H1 TIP3 14454 -19.818 19.624 14.331 1.00 0.00 WAT +ATOM 49672 H2 TIP3 14454 -18.355 19.836 14.332 1.00 0.00 WAT +ATOM 49673 OH2 TIP3 14455 -8.679 32.054 30.671 1.00 0.00 WAT +ATOM 49674 H1 TIP3 14455 -8.383 32.429 29.823 1.00 0.00 WAT +ATOM 49675 H2 TIP3 14455 -7.953 32.311 31.267 1.00 0.00 WAT +ATOM 49676 OH2 TIP3 14456 -20.742 24.645 30.100 1.00 0.00 WAT +ATOM 49677 H1 TIP3 14456 -20.069 24.716 30.810 1.00 0.00 WAT +ATOM 49678 H2 TIP3 14456 -21.547 24.578 30.650 1.00 0.00 WAT +ATOM 49679 OH2 TIP3 14457 -15.037 19.611 22.819 1.00 0.00 WAT +ATOM 49680 H1 TIP3 14457 -14.295 19.231 22.325 1.00 0.00 WAT +ATOM 49681 H2 TIP3 14457 -15.140 18.982 23.558 1.00 0.00 WAT +ATOM 49682 OH2 TIP3 14458 -19.749 16.021 18.951 1.00 0.00 WAT +ATOM 49683 H1 TIP3 14458 -20.261 15.212 19.118 1.00 0.00 WAT +ATOM 49684 H2 TIP3 14458 -18.918 15.660 18.609 1.00 0.00 WAT +ATOM 49685 OH2 TIP3 14459 -16.039 18.042 25.109 1.00 0.00 WAT +ATOM 49686 H1 TIP3 14459 -16.796 18.646 25.043 1.00 0.00 WAT +ATOM 49687 H2 TIP3 14459 -15.579 18.358 25.914 1.00 0.00 WAT +ATOM 49688 OH2 TIP3 14460 -15.874 24.543 16.697 1.00 0.00 WAT +ATOM 49689 H1 TIP3 14460 -16.481 23.799 16.591 1.00 0.00 WAT +ATOM 49690 H2 TIP3 14460 -15.537 24.447 17.604 1.00 0.00 WAT +ATOM 49691 OH2 TIP3 14461 -8.700 23.642 25.721 1.00 0.00 WAT +ATOM 49692 H1 TIP3 14461 -8.203 24.178 25.065 1.00 0.00 WAT +ATOM 49693 H2 TIP3 14461 -9.548 23.508 25.250 1.00 0.00 WAT +ATOM 49694 OH2 TIP3 14462 -11.618 17.182 14.372 1.00 0.00 WAT +ATOM 49695 H1 TIP3 14462 -12.590 17.097 14.292 1.00 0.00 WAT +ATOM 49696 H2 TIP3 14462 -11.505 17.882 15.031 1.00 0.00 WAT +ATOM 49697 OH2 TIP3 14463 -14.267 24.483 28.294 1.00 0.00 WAT +ATOM 49698 H1 TIP3 14463 -14.587 24.166 29.149 1.00 0.00 WAT +ATOM 49699 H2 TIP3 14463 -14.585 25.399 28.276 1.00 0.00 WAT +ATOM 49700 OH2 TIP3 14464 -11.147 18.893 16.759 1.00 0.00 WAT +ATOM 49701 H1 TIP3 14464 -10.270 18.879 17.183 1.00 0.00 WAT +ATOM 49702 H2 TIP3 14464 -11.198 19.816 16.434 1.00 0.00 WAT +ATOM 49703 OH2 TIP3 14465 -20.794 23.857 22.773 1.00 0.00 WAT +ATOM 49704 H1 TIP3 14465 -20.229 23.759 21.984 1.00 0.00 WAT +ATOM 49705 H2 TIP3 14465 -20.663 23.002 23.212 1.00 0.00 WAT +ATOM 49706 OH2 TIP3 14466 -23.535 22.153 28.048 1.00 0.00 WAT +ATOM 49707 H1 TIP3 14466 -23.365 21.727 28.913 1.00 0.00 WAT +ATOM 49708 H2 TIP3 14466 -24.128 21.518 27.616 1.00 0.00 WAT +ATOM 49709 OH2 TIP3 14467 -16.544 21.654 30.030 1.00 0.00 WAT +ATOM 49710 H1 TIP3 14467 -16.897 21.396 29.161 1.00 0.00 WAT +ATOM 49711 H2 TIP3 14467 -15.616 21.370 29.940 1.00 0.00 WAT +ATOM 49712 OH2 TIP3 14468 -12.005 27.089 27.752 1.00 0.00 WAT +ATOM 49713 H1 TIP3 14468 -12.973 27.147 27.677 1.00 0.00 WAT +ATOM 49714 H2 TIP3 14468 -11.862 27.324 28.681 1.00 0.00 WAT +ATOM 49715 OH2 TIP3 14469 -6.488 19.129 16.532 1.00 0.00 WAT +ATOM 49716 H1 TIP3 14469 -7.024 18.931 15.740 1.00 0.00 WAT +ATOM 49717 H2 TIP3 14469 -6.392 20.094 16.411 1.00 0.00 WAT +ATOM 49718 OH2 TIP3 14470 -6.039 25.144 29.333 1.00 0.00 WAT +ATOM 49719 H1 TIP3 14470 -6.975 25.350 29.125 1.00 0.00 WAT +ATOM 49720 H2 TIP3 14470 -5.689 24.975 28.435 1.00 0.00 WAT +ATOM 49721 OH2 TIP3 14471 -8.240 27.754 16.647 1.00 0.00 WAT +ATOM 49722 H1 TIP3 14471 -8.584 27.025 17.191 1.00 0.00 WAT +ATOM 49723 H2 TIP3 14471 -7.762 27.282 15.953 1.00 0.00 WAT +ATOM 49724 OH2 TIP3 14472 -11.044 23.032 24.060 1.00 0.00 WAT +ATOM 49725 H1 TIP3 14472 -11.963 22.896 23.758 1.00 0.00 WAT +ATOM 49726 H2 TIP3 14472 -10.583 22.349 23.531 1.00 0.00 WAT +ATOM 49727 OH2 TIP3 14473 -18.473 27.153 20.124 1.00 0.00 WAT +ATOM 49728 H1 TIP3 14473 -17.935 27.936 19.922 1.00 0.00 WAT +ATOM 49729 H2 TIP3 14473 -19.324 27.392 19.747 1.00 0.00 WAT +ATOM 49730 OH2 TIP3 14474 -22.390 21.928 14.688 1.00 0.00 WAT +ATOM 49731 H1 TIP3 14474 -21.810 22.621 15.054 1.00 0.00 WAT +ATOM 49732 H2 TIP3 14474 -23.268 22.263 14.943 1.00 0.00 WAT +ATOM 49733 OH2 TIP3 14475 -16.593 24.772 19.732 1.00 0.00 WAT +ATOM 49734 H1 TIP3 14475 -16.765 25.723 19.726 1.00 0.00 WAT +ATOM 49735 H2 TIP3 14475 -17.434 24.406 20.024 1.00 0.00 WAT +ATOM 49736 OH2 TIP3 14476 -16.414 29.107 26.032 1.00 0.00 WAT +ATOM 49737 H1 TIP3 14476 -15.848 29.836 25.723 1.00 0.00 WAT +ATOM 49738 H2 TIP3 14476 -15.786 28.594 26.564 1.00 0.00 WAT +ATOM 49739 OH2 TIP3 14477 -17.981 30.049 19.258 1.00 0.00 WAT +ATOM 49740 H1 TIP3 14477 -18.930 30.225 19.324 1.00 0.00 WAT +ATOM 49741 H2 TIP3 14477 -17.598 30.915 19.486 1.00 0.00 WAT +ATOM 49742 OH2 TIP3 14478 -12.979 24.848 25.591 1.00 0.00 WAT +ATOM 49743 H1 TIP3 14478 -13.275 24.548 26.468 1.00 0.00 WAT +ATOM 49744 H2 TIP3 14478 -12.264 24.220 25.391 1.00 0.00 WAT +ATOM 49745 OH2 TIP3 14479 -10.694 25.997 14.899 1.00 0.00 WAT +ATOM 49746 H1 TIP3 14479 -10.390 25.607 15.736 1.00 0.00 WAT +ATOM 49747 H2 TIP3 14479 -11.636 25.887 15.087 1.00 0.00 WAT +ATOM 49748 OH2 TIP3 14480 -10.067 29.429 27.996 1.00 0.00 WAT +ATOM 49749 H1 TIP3 14480 -10.816 28.960 27.578 1.00 0.00 WAT +ATOM 49750 H2 TIP3 14480 -9.965 30.206 27.418 1.00 0.00 WAT +ATOM 49751 OH2 TIP3 14481 -6.091 30.418 15.035 1.00 0.00 WAT +ATOM 49752 H1 TIP3 14481 -5.392 31.057 14.818 1.00 0.00 WAT +ATOM 49753 H2 TIP3 14481 -6.857 31.020 15.047 1.00 0.00 WAT +ATOM 49754 OH2 TIP3 14482 -22.202 16.778 27.648 1.00 0.00 WAT +ATOM 49755 H1 TIP3 14482 -23.115 17.043 27.424 1.00 0.00 WAT +ATOM 49756 H2 TIP3 14482 -22.349 15.920 28.084 1.00 0.00 WAT +ATOM 49757 OH2 TIP3 14483 -22.470 28.539 26.066 1.00 0.00 WAT +ATOM 49758 H1 TIP3 14483 -22.136 27.642 26.214 1.00 0.00 WAT +ATOM 49759 H2 TIP3 14483 -22.224 28.953 26.903 1.00 0.00 WAT +ATOM 49760 OH2 TIP3 14484 -16.501 27.100 13.024 1.00 0.00 WAT +ATOM 49761 H1 TIP3 14484 -16.125 26.361 12.531 1.00 0.00 WAT +ATOM 49762 H2 TIP3 14484 -16.942 26.662 13.771 1.00 0.00 WAT +ATOM 49763 OH2 TIP3 14485 -17.729 26.578 15.933 1.00 0.00 WAT +ATOM 49764 H1 TIP3 14485 -17.081 26.052 16.446 1.00 0.00 WAT +ATOM 49765 H2 TIP3 14485 -17.501 27.492 16.188 1.00 0.00 WAT +ATOM 49766 OH2 TIP3 14486 -20.908 24.152 16.150 1.00 0.00 WAT +ATOM 49767 H1 TIP3 14486 -21.607 24.549 16.701 1.00 0.00 WAT +ATOM 49768 H2 TIP3 14486 -20.391 24.939 15.901 1.00 0.00 WAT +ATOM 49769 OH2 TIP3 14487 -13.080 16.693 26.331 1.00 0.00 WAT +ATOM 49770 H1 TIP3 14487 -12.561 16.783 27.135 1.00 0.00 WAT +ATOM 49771 H2 TIP3 14487 -13.716 16.000 26.587 1.00 0.00 WAT +ATOM 49772 OH2 TIP3 14488 -12.591 16.093 17.321 1.00 0.00 WAT +ATOM 49773 H1 TIP3 14488 -12.453 16.693 16.570 1.00 0.00 WAT +ATOM 49774 H2 TIP3 14488 -12.183 16.604 18.036 1.00 0.00 WAT +ATOM 49775 OH2 TIP3 14489 -14.714 28.439 16.479 1.00 0.00 WAT +ATOM 49776 H1 TIP3 14489 -15.609 28.793 16.509 1.00 0.00 WAT +ATOM 49777 H2 TIP3 14489 -14.383 28.702 15.615 1.00 0.00 WAT +ATOM 49778 OH2 TIP3 14490 -15.109 18.071 18.421 1.00 0.00 WAT +ATOM 49779 H1 TIP3 14490 -14.419 18.759 18.516 1.00 0.00 WAT +ATOM 49780 H2 TIP3 14490 -15.389 17.931 19.344 1.00 0.00 WAT +ATOM 49781 OH2 TIP3 14491 -14.841 18.955 27.569 1.00 0.00 WAT +ATOM 49782 H1 TIP3 14491 -14.797 19.497 28.374 1.00 0.00 WAT +ATOM 49783 H2 TIP3 14491 -14.256 18.220 27.792 1.00 0.00 WAT +ATOM 49784 OH2 TIP3 14492 -14.555 14.939 19.353 1.00 0.00 WAT +ATOM 49785 H1 TIP3 14492 -14.790 15.691 19.920 1.00 0.00 WAT +ATOM 49786 H2 TIP3 14492 -13.858 15.321 18.787 1.00 0.00 WAT +ATOM 49787 OH2 TIP3 14493 -17.617 29.367 16.374 1.00 0.00 WAT +ATOM 49788 H1 TIP3 14493 -17.638 30.204 15.867 1.00 0.00 WAT +ATOM 49789 H2 TIP3 14493 -17.684 29.682 17.293 1.00 0.00 WAT +ATOM 49790 OH2 TIP3 14494 -18.810 16.139 15.808 1.00 0.00 WAT +ATOM 49791 H1 TIP3 14494 -18.868 16.874 16.440 1.00 0.00 WAT +ATOM 49792 H2 TIP3 14494 -18.009 15.683 16.138 1.00 0.00 WAT +ATOM 49793 OH2 TIP3 14495 -10.043 20.822 22.529 1.00 0.00 WAT +ATOM 49794 H1 TIP3 14495 -10.812 20.387 22.125 1.00 0.00 WAT +ATOM 49795 H2 TIP3 14495 -9.557 20.069 22.923 1.00 0.00 WAT +ATOM 49796 OH2 TIP3 14496 -20.421 26.946 14.921 1.00 0.00 WAT +ATOM 49797 H1 TIP3 14496 -19.700 27.442 15.347 1.00 0.00 WAT +ATOM 49798 H2 TIP3 14496 -19.893 26.420 14.299 1.00 0.00 WAT +ATOM 49799 OH2 TIP3 14497 -22.255 19.161 14.076 1.00 0.00 WAT +ATOM 49800 H1 TIP3 14497 -22.170 20.107 14.302 1.00 0.00 WAT +ATOM 49801 H2 TIP3 14497 -23.115 19.131 13.640 1.00 0.00 WAT +ATOM 49802 OH2 TIP3 14498 -9.025 29.724 23.931 1.00 0.00 WAT +ATOM 49803 H1 TIP3 14498 -9.205 30.503 23.373 1.00 0.00 WAT +ATOM 49804 H2 TIP3 14498 -8.080 29.848 24.112 1.00 0.00 WAT +ATOM 49805 OH2 TIP3 14499 -21.416 14.195 22.847 1.00 0.00 WAT +ATOM 49806 H1 TIP3 14499 -21.549 14.148 21.875 1.00 0.00 WAT +ATOM 49807 H2 TIP3 14499 -21.764 13.335 23.144 1.00 0.00 WAT +ATOM 49808 OH2 TIP3 14500 -22.535 27.674 19.154 1.00 0.00 WAT +ATOM 49809 H1 TIP3 14500 -23.310 28.222 19.325 1.00 0.00 WAT +ATOM 49810 H2 TIP3 14500 -22.102 28.166 18.442 1.00 0.00 WAT +ATOM 49811 OH2 TIP3 14501 -23.115 30.587 30.277 1.00 0.00 WAT +ATOM 49812 H1 TIP3 14501 -22.529 30.308 31.007 1.00 0.00 WAT +ATOM 49813 H2 TIP3 14501 -23.496 29.729 30.002 1.00 0.00 WAT +ATOM 49814 OH2 TIP3 14502 -18.390 29.658 32.080 1.00 0.00 WAT +ATOM 49815 H1 TIP3 14502 -17.722 28.982 32.272 1.00 0.00 WAT +ATOM 49816 H2 TIP3 14502 -18.650 29.407 31.178 1.00 0.00 WAT +ATOM 49817 OH2 TIP3 14503 -14.325 28.832 13.550 1.00 0.00 WAT +ATOM 49818 H1 TIP3 14503 -15.079 28.217 13.433 1.00 0.00 WAT +ATOM 49819 H2 TIP3 14503 -13.614 28.371 13.075 1.00 0.00 WAT +ATOM 49820 OH2 TIP3 14504 -11.965 27.960 30.683 1.00 0.00 WAT +ATOM 49821 H1 TIP3 14504 -12.340 27.124 31.015 1.00 0.00 WAT +ATOM 49822 H2 TIP3 14504 -11.244 28.130 31.315 1.00 0.00 WAT +ATOM 49823 OH2 TIP3 14505 -9.838 28.674 13.629 1.00 0.00 WAT +ATOM 49824 H1 TIP3 14505 -9.648 27.946 14.245 1.00 0.00 WAT +ATOM 49825 H2 TIP3 14505 -8.992 28.771 13.160 1.00 0.00 WAT +ATOM 49826 OH2 TIP3 14506 -23.144 24.246 31.387 1.00 0.00 WAT +ATOM 49827 H1 TIP3 14506 -23.060 23.316 31.114 1.00 0.00 WAT +ATOM 49828 H2 TIP3 14506 -23.927 24.518 30.872 1.00 0.00 WAT +ATOM 49829 OH2 TIP3 14507 -18.862 24.635 13.374 1.00 0.00 WAT +ATOM 49830 H1 TIP3 14507 -18.641 24.041 14.116 1.00 0.00 WAT +ATOM 49831 H2 TIP3 14507 -18.206 24.397 12.712 1.00 0.00 WAT +ATOM 49832 OH2 TIP3 14508 -16.525 24.412 30.743 1.00 0.00 WAT +ATOM 49833 H1 TIP3 14508 -16.833 24.738 29.881 1.00 0.00 WAT +ATOM 49834 H2 TIP3 14508 -16.456 23.445 30.594 1.00 0.00 WAT +ATOM 49835 OH2 TIP3 14509 -13.857 25.562 13.198 1.00 0.00 WAT +ATOM 49836 H1 TIP3 14509 -13.904 25.797 14.138 1.00 0.00 WAT +ATOM 49837 H2 TIP3 14509 -13.675 24.616 13.249 1.00 0.00 WAT +ATOM 49838 OH2 TIP3 14510 -11.152 24.041 28.165 1.00 0.00 WAT +ATOM 49839 H1 TIP3 14510 -10.392 24.584 27.906 1.00 0.00 WAT +ATOM 49840 H2 TIP3 14510 -11.872 24.691 28.112 1.00 0.00 WAT +ATOM 49841 OH2 TIP3 14511 -22.282 21.414 30.563 1.00 0.00 WAT +ATOM 49842 H1 TIP3 14511 -21.606 20.716 30.571 1.00 0.00 WAT +ATOM 49843 H2 TIP3 14511 -22.364 21.567 31.519 1.00 0.00 WAT +ATOM 49844 OH2 TIP3 14512 -17.834 22.678 15.539 1.00 0.00 WAT +ATOM 49845 H1 TIP3 14512 -18.367 22.236 16.216 1.00 0.00 WAT +ATOM 49846 H2 TIP3 14512 -17.414 21.932 15.102 1.00 0.00 WAT +ATOM 49847 OH2 TIP3 14513 -18.652 20.474 27.978 1.00 0.00 WAT +ATOM 49848 H1 TIP3 14513 -19.169 21.264 28.220 1.00 0.00 WAT +ATOM 49849 H2 TIP3 14513 -17.988 20.851 27.374 1.00 0.00 WAT +ATOM 49850 OH2 TIP3 14514 -13.334 23.198 31.577 1.00 0.00 WAT +ATOM 49851 H1 TIP3 14514 -12.440 23.006 31.263 1.00 0.00 WAT +ATOM 49852 H2 TIP3 14514 -13.597 22.348 31.955 1.00 0.00 WAT +ATOM 49853 OH2 TIP3 14515 -7.357 23.164 13.188 1.00 0.00 WAT +ATOM 49854 H1 TIP3 14515 -7.866 22.957 12.399 1.00 0.00 WAT +ATOM 49855 H2 TIP3 14515 -7.421 24.139 13.188 1.00 0.00 WAT +ATOM 49856 OH2 TIP3 14516 -18.016 17.797 29.142 1.00 0.00 WAT +ATOM 49857 H1 TIP3 14516 -17.978 17.127 28.436 1.00 0.00 WAT +ATOM 49858 H2 TIP3 14516 -18.255 18.596 28.639 1.00 0.00 WAT +ATOM 49859 OH2 TIP3 14517 -17.707 16.215 26.594 1.00 0.00 WAT +ATOM 49860 H1 TIP3 14517 -17.195 16.775 25.977 1.00 0.00 WAT +ATOM 49861 H2 TIP3 14517 -18.621 16.276 26.245 1.00 0.00 WAT +ATOM 49862 OH2 TIP3 14518 -16.150 21.691 27.003 1.00 0.00 WAT +ATOM 49863 H1 TIP3 14518 -15.312 21.624 26.521 1.00 0.00 WAT +ATOM 49864 H2 TIP3 14518 -16.472 22.564 26.698 1.00 0.00 WAT +ATOM 49865 OH2 TIP3 14519 -11.577 19.616 31.743 1.00 0.00 WAT +ATOM 49866 H1 TIP3 14519 -11.391 18.695 31.982 1.00 0.00 WAT +ATOM 49867 H2 TIP3 14519 -10.695 20.016 31.793 1.00 0.00 WAT +ATOM 49868 OH2 TIP3 14520 -10.570 22.346 30.204 1.00 0.00 WAT +ATOM 49869 H1 TIP3 14520 -10.955 22.974 29.553 1.00 0.00 WAT +ATOM 49870 H2 TIP3 14520 -9.649 22.310 29.878 1.00 0.00 WAT +ATOM 49871 OH2 TIP3 14521 -19.786 19.646 30.924 1.00 0.00 WAT +ATOM 49872 H1 TIP3 14521 -20.382 18.879 30.990 1.00 0.00 WAT +ATOM 49873 H2 TIP3 14521 -19.016 19.264 30.480 1.00 0.00 WAT +ATOM 49874 OH2 TIP3 14522 -16.985 13.554 26.940 1.00 0.00 WAT +ATOM 49875 H1 TIP3 14522 -17.145 14.513 26.789 1.00 0.00 WAT +ATOM 49876 H2 TIP3 14522 -17.714 13.172 26.415 1.00 0.00 WAT +ATOM 49877 OH2 TIP3 14523 -15.693 18.123 30.730 1.00 0.00 WAT +ATOM 49878 H1 TIP3 14523 -16.054 17.918 31.611 1.00 0.00 WAT +ATOM 49879 H2 TIP3 14523 -16.492 17.948 30.189 1.00 0.00 WAT +ATOM 49880 OH2 TIP3 14524 -13.133 17.161 29.510 1.00 0.00 WAT +ATOM 49881 H1 TIP3 14524 -14.010 17.281 29.922 1.00 0.00 WAT +ATOM 49882 H2 TIP3 14524 -12.692 16.591 30.169 1.00 0.00 WAT +ATOM 49883 OH2 TIP3 14525 -11.316 15.706 31.327 1.00 0.00 WAT +ATOM 49884 H1 TIP3 14525 -11.479 14.754 31.484 1.00 0.00 WAT +ATOM 49885 H2 TIP3 14525 -11.517 16.107 32.194 1.00 0.00 WAT +ATOM 49886 OH2 TIP3 14526 -21.146 17.068 30.785 1.00 0.00 WAT +ATOM 49887 H1 TIP3 14526 -21.272 16.373 30.122 1.00 0.00 WAT +ATOM 49888 H2 TIP3 14526 -21.391 16.602 31.607 1.00 0.00 WAT +ATOM 49889 OH2 TIP3 14527 -17.161 13.058 29.768 1.00 0.00 WAT +ATOM 49890 H1 TIP3 14527 -16.558 12.304 29.828 1.00 0.00 WAT +ATOM 49891 H2 TIP3 14527 -17.181 13.221 28.805 1.00 0.00 WAT +ATOM 49892 OH2 TIP3 14528 -16.212 14.923 31.615 1.00 0.00 WAT +ATOM 49893 H1 TIP3 14528 -16.557 14.338 30.911 1.00 0.00 WAT +ATOM 49894 H2 TIP3 14528 -16.891 15.617 31.659 1.00 0.00 WAT +ATOM 49895 OH2 TIP3 14529 -17.143 31.931 15.070 1.00 0.00 WAT +ATOM 49896 H1 TIP3 14529 -16.195 32.042 15.232 1.00 0.00 WAT +ATOM 49897 H2 TIP3 14529 -17.241 32.446 14.257 1.00 0.00 WAT +ATOM 49898 OH2 TIP3 14530 -23.215 26.365 14.665 1.00 0.00 WAT +ATOM 49899 H1 TIP3 14530 -22.255 26.544 14.759 1.00 0.00 WAT +ATOM 49900 H2 TIP3 14530 -23.213 25.597 14.057 1.00 0.00 WAT +ATOM 49901 OH2 TIP3 14531 -24.252 31.573 19.421 1.00 0.00 WAT +ATOM 49902 H1 TIP3 14531 -24.959 31.183 18.881 1.00 0.00 WAT +ATOM 49903 H2 TIP3 14531 -24.114 30.877 20.096 1.00 0.00 WAT +ATOM 49904 OH2 TIP3 14532 -23.878 29.587 21.381 1.00 0.00 WAT +ATOM 49905 H1 TIP3 14532 -24.117 28.698 21.687 1.00 0.00 WAT +ATOM 49906 H2 TIP3 14532 -23.466 29.931 22.191 1.00 0.00 WAT +ATOM 49907 OH2 TIP3 14533 -6.304 30.883 24.380 1.00 0.00 WAT +ATOM 49908 H1 TIP3 14533 -6.119 30.808 25.327 1.00 0.00 WAT +ATOM 49909 H2 TIP3 14533 -5.437 31.126 24.029 1.00 0.00 WAT +ATOM 49910 OH2 TIP3 14534 -6.409 30.303 27.268 1.00 0.00 WAT +ATOM 49911 H1 TIP3 14534 -6.918 29.555 26.900 1.00 0.00 WAT +ATOM 49912 H2 TIP3 14534 -5.840 29.826 27.892 1.00 0.00 WAT +ATOM 49913 OH2 TIP3 14535 -8.405 25.691 31.567 1.00 0.00 WAT +ATOM 49914 H1 TIP3 14535 -9.291 25.788 31.954 1.00 0.00 WAT +ATOM 49915 H2 TIP3 14535 -7.953 26.504 31.848 1.00 0.00 WAT +ATOM 49916 OH2 TIP3 14536 -7.159 24.655 17.071 1.00 0.00 WAT +ATOM 49917 H1 TIP3 14536 -6.331 24.945 17.480 1.00 0.00 WAT +ATOM 49918 H2 TIP3 14536 -7.569 24.154 17.792 1.00 0.00 WAT +ATOM 49919 OH2 TIP3 14537 -6.526 22.489 19.228 1.00 0.00 WAT +ATOM 49920 H1 TIP3 14537 -7.314 22.054 19.611 1.00 0.00 WAT +ATOM 49921 H2 TIP3 14537 -5.928 22.620 19.985 1.00 0.00 WAT +ATOM 49922 OH2 TIP3 14538 -6.794 25.080 24.266 1.00 0.00 WAT +ATOM 49923 H1 TIP3 14538 -6.223 24.584 23.658 1.00 0.00 WAT +ATOM 49924 H2 TIP3 14538 -6.708 25.985 23.923 1.00 0.00 WAT +ATOM 49925 OH2 TIP3 14539 -8.099 27.998 26.489 1.00 0.00 WAT +ATOM 49926 H1 TIP3 14539 -8.846 28.390 26.974 1.00 0.00 WAT +ATOM 49927 H2 TIP3 14539 -8.546 27.638 25.695 1.00 0.00 WAT +ATOM 49928 OH2 TIP3 14540 -6.267 22.061 15.881 1.00 0.00 WAT +ATOM 49929 H1 TIP3 14540 -6.822 22.305 15.123 1.00 0.00 WAT +ATOM 49930 H2 TIP3 14540 -6.471 22.783 16.503 1.00 0.00 WAT +ATOM 49931 OH2 TIP3 14541 -7.809 19.565 13.992 1.00 0.00 WAT +ATOM 49932 H1 TIP3 14541 -7.911 20.097 13.194 1.00 0.00 WAT +ATOM 49933 H2 TIP3 14541 -8.274 18.748 13.728 1.00 0.00 WAT +ATOM 49934 OH2 TIP3 14542 -8.885 20.964 19.777 1.00 0.00 WAT +ATOM 49935 H1 TIP3 14542 -8.933 20.009 19.626 1.00 0.00 WAT +ATOM 49936 H2 TIP3 14542 -9.288 21.086 20.650 1.00 0.00 WAT +ATOM 49937 OH2 TIP3 14543 -23.784 22.978 23.788 1.00 0.00 WAT +ATOM 49938 H1 TIP3 14543 -23.534 22.989 22.848 1.00 0.00 WAT +ATOM 49939 H2 TIP3 14543 -22.921 22.726 24.185 1.00 0.00 WAT +ATOM 49940 OH2 TIP3 14544 -7.880 22.538 29.405 1.00 0.00 WAT +ATOM 49941 H1 TIP3 14544 -7.091 21.977 29.417 1.00 0.00 WAT +ATOM 49942 H2 TIP3 14544 -7.525 23.363 29.036 1.00 0.00 WAT +ATOM 49943 OH2 TIP3 14545 -6.253 20.208 30.559 1.00 0.00 WAT +ATOM 49944 H1 TIP3 14545 -7.058 19.908 30.092 1.00 0.00 WAT +ATOM 49945 H2 TIP3 14545 -5.520 19.780 30.102 1.00 0.00 WAT +ATOM 49946 OH2 TIP3 14546 -8.705 16.947 13.313 1.00 0.00 WAT +ATOM 49947 H1 TIP3 14546 -8.179 16.421 13.934 1.00 0.00 WAT +ATOM 49948 H2 TIP3 14546 -9.618 16.624 13.444 1.00 0.00 WAT +ATOM 49949 OH2 TIP3 14547 -8.722 18.280 18.332 1.00 0.00 WAT +ATOM 49950 H1 TIP3 14547 -8.472 17.331 18.382 1.00 0.00 WAT +ATOM 49951 H2 TIP3 14547 -7.938 18.631 17.874 1.00 0.00 WAT +ATOM 49952 OH2 TIP3 14548 -8.513 18.764 23.725 1.00 0.00 WAT +ATOM 49953 H1 TIP3 14548 -7.556 18.947 23.652 1.00 0.00 WAT +ATOM 49954 H2 TIP3 14548 -8.640 18.839 24.682 1.00 0.00 WAT +ATOM 49955 OH2 TIP3 14549 -8.046 19.241 26.690 1.00 0.00 WAT +ATOM 49956 H1 TIP3 14549 -8.921 19.591 26.926 1.00 0.00 WAT +ATOM 49957 H2 TIP3 14549 -7.570 20.047 26.420 1.00 0.00 WAT +ATOM 49958 OH2 TIP3 14550 -23.865 18.272 30.087 1.00 0.00 WAT +ATOM 49959 H1 TIP3 14550 -22.932 18.049 30.245 1.00 0.00 WAT +ATOM 49960 H2 TIP3 14550 -24.301 17.419 30.261 1.00 0.00 WAT +ATOM 49961 OH2 TIP3 14551 -5.997 14.034 31.252 1.00 0.00 WAT +ATOM 49962 H1 TIP3 14551 -5.548 13.169 31.169 1.00 0.00 WAT +ATOM 49963 H2 TIP3 14551 -5.294 14.624 30.959 1.00 0.00 WAT +ATOM 49964 OH2 TIP3 14552 -8.264 15.517 18.240 1.00 0.00 WAT +ATOM 49965 H1 TIP3 14552 -8.165 15.121 19.120 1.00 0.00 WAT +ATOM 49966 H2 TIP3 14552 -8.984 14.980 17.850 1.00 0.00 WAT +ATOM 49967 OH2 TIP3 14553 -23.090 16.613 22.993 1.00 0.00 WAT +ATOM 49968 H1 TIP3 14553 -22.622 15.759 23.034 1.00 0.00 WAT +ATOM 49969 H2 TIP3 14553 -22.394 17.215 23.317 1.00 0.00 WAT +ATOM 49970 OH2 TIP3 14554 -24.549 19.300 24.005 1.00 0.00 WAT +ATOM 49971 H1 TIP3 14554 -23.952 19.238 23.242 1.00 0.00 WAT +ATOM 49972 H2 TIP3 14554 -24.158 20.041 24.483 1.00 0.00 WAT +ATOM 49973 OH2 TIP3 14555 -6.262 15.802 14.818 1.00 0.00 WAT +ATOM 49974 H1 TIP3 14555 -5.952 15.071 14.275 1.00 0.00 WAT +ATOM 49975 H2 TIP3 14555 -5.441 16.311 14.918 1.00 0.00 WAT +ATOM 49976 OH2 TIP3 14556 -24.040 15.653 18.088 1.00 0.00 WAT +ATOM 49977 H1 TIP3 14556 -24.985 15.679 17.865 1.00 0.00 WAT +ATOM 49978 H2 TIP3 14556 -23.633 16.238 17.420 1.00 0.00 WAT +ATOM 49979 OH2 TIP3 14557 -9.403 31.012 20.159 1.00 0.00 WAT +ATOM 49980 H1 TIP3 14557 -8.970 30.663 19.362 1.00 0.00 WAT +ATOM 49981 H2 TIP3 14557 -8.648 31.227 20.716 1.00 0.00 WAT +ATOM 49982 OH2 TIP3 14558 -24.001 14.497 26.214 1.00 0.00 WAT +ATOM 49983 H1 TIP3 14558 -24.702 14.256 26.836 1.00 0.00 WAT +ATOM 49984 H2 TIP3 14558 -24.497 15.030 25.568 1.00 0.00 WAT +ATOM 49985 OH2 TIP3 14559 -22.006 27.660 30.901 1.00 0.00 WAT +ATOM 49986 H1 TIP3 14559 -22.727 27.575 30.262 1.00 0.00 WAT +ATOM 49987 H2 TIP3 14559 -22.459 27.524 31.746 1.00 0.00 WAT +ATOM 49988 OH2 TIP3 14560 -19.179 28.594 26.575 1.00 0.00 WAT +ATOM 49989 H1 TIP3 14560 -19.470 29.448 26.212 1.00 0.00 WAT +ATOM 49990 H2 TIP3 14560 -18.218 28.666 26.398 1.00 0.00 WAT +ATOM 49991 OH2 TIP3 14561 -14.677 29.910 29.588 1.00 0.00 WAT +ATOM 49992 H1 TIP3 14561 -14.516 29.715 30.524 1.00 0.00 WAT +ATOM 49993 H2 TIP3 14561 -13.838 30.341 29.328 1.00 0.00 WAT +ATOM 49994 OH2 TIP3 14562 -12.360 31.361 28.890 1.00 0.00 WAT +ATOM 49995 H1 TIP3 14562 -11.680 30.717 28.635 1.00 0.00 WAT +ATOM 49996 H2 TIP3 14562 -12.037 31.656 29.763 1.00 0.00 WAT +ATOM 49997 OH2 TIP3 14563 -7.657 14.355 28.140 1.00 0.00 WAT +ATOM 49998 H1 TIP3 14563 -8.402 14.397 27.509 1.00 0.00 WAT +ATOM 49999 H2 TIP3 14563 -7.306 13.463 27.935 1.00 0.00 WAT +ATOM 50000 OH2 TIP3 14564 -21.811 31.535 26.901 1.00 0.00 WAT +ATOM 50001 H1 TIP3 14564 -22.398 32.180 26.466 1.00 0.00 WAT +ATOM 50002 H2 TIP3 14564 -22.129 31.591 27.810 1.00 0.00 WAT +ATOM 50003 OH2 TIP3 14565 -19.305 31.315 25.467 1.00 0.00 WAT +ATOM 50004 H1 TIP3 14565 -20.158 31.513 25.898 1.00 0.00 WAT +ATOM 50005 H2 TIP3 14565 -19.257 32.001 24.776 1.00 0.00 WAT +ATOM 50006 OH2 TIP3 14566 -14.574 31.299 25.021 1.00 0.00 WAT +ATOM 50007 H1 TIP3 14566 -14.926 31.728 24.220 1.00 0.00 WAT +ATOM 50008 H2 TIP3 14566 -14.479 32.058 25.621 1.00 0.00 WAT +ATOM 50009 OH2 TIP3 14567 -12.235 30.046 25.994 1.00 0.00 WAT +ATOM 50010 H1 TIP3 14567 -13.067 30.361 25.595 1.00 0.00 WAT +ATOM 50011 H2 TIP3 14567 -11.663 30.817 25.884 1.00 0.00 WAT +ATOM 50012 OH2 TIP3 14568 -9.674 31.767 26.132 1.00 0.00 WAT +ATOM 50013 H1 TIP3 14568 -9.746 32.696 25.848 1.00 0.00 WAT +ATOM 50014 H2 TIP3 14568 -9.411 31.343 25.295 1.00 0.00 WAT +ATOM 50015 OH2 TIP3 14569 -22.237 30.315 23.833 1.00 0.00 WAT +ATOM 50016 H1 TIP3 14569 -22.228 29.854 24.699 1.00 0.00 WAT +ATOM 50017 H2 TIP3 14569 -21.454 29.905 23.408 1.00 0.00 WAT +ATOM 50018 OH2 TIP3 14570 -20.211 29.111 22.313 1.00 0.00 WAT +ATOM 50019 H1 TIP3 14570 -20.329 28.164 22.530 1.00 0.00 WAT +ATOM 50020 H2 TIP3 14570 -19.279 29.254 22.578 1.00 0.00 WAT +ATOM 50021 OH2 TIP3 14571 -17.466 29.564 23.183 1.00 0.00 WAT +ATOM 50022 H1 TIP3 14571 -17.224 28.660 22.915 1.00 0.00 WAT +ATOM 50023 H2 TIP3 14571 -17.373 29.496 24.146 1.00 0.00 WAT +ATOM 50024 OH2 TIP3 14572 -14.071 15.426 22.503 1.00 0.00 WAT +ATOM 50025 H1 TIP3 14572 -14.789 14.770 22.585 1.00 0.00 WAT +ATOM 50026 H2 TIP3 14572 -13.503 15.017 21.832 1.00 0.00 WAT +ATOM 50027 OH2 TIP3 14573 -9.156 13.484 22.940 1.00 0.00 WAT +ATOM 50028 H1 TIP3 14573 -8.393 13.900 22.497 1.00 0.00 WAT +ATOM 50029 H2 TIP3 14573 -9.897 13.776 22.378 1.00 0.00 WAT +ATOM 50030 OH2 TIP3 14574 -7.093 14.555 20.852 1.00 0.00 WAT +ATOM 50031 H1 TIP3 14574 -6.426 14.080 20.310 1.00 0.00 WAT +ATOM 50032 H2 TIP3 14574 -6.738 15.468 20.837 1.00 0.00 WAT +ATOM 50033 OH2 TIP3 14575 -21.710 14.060 20.051 1.00 0.00 WAT +ATOM 50034 H1 TIP3 14575 -22.563 13.910 19.601 1.00 0.00 WAT +ATOM 50035 H2 TIP3 14575 -21.248 13.216 19.856 1.00 0.00 WAT +ATOM 50036 OH2 TIP3 14576 -22.950 13.651 15.948 1.00 0.00 WAT +ATOM 50037 H1 TIP3 14576 -22.447 14.285 15.404 1.00 0.00 WAT +ATOM 50038 H2 TIP3 14576 -23.350 14.224 16.620 1.00 0.00 WAT +ATOM 50039 OH2 TIP3 14577 -17.337 13.995 19.834 1.00 0.00 WAT +ATOM 50040 H1 TIP3 14577 -16.392 14.170 19.713 1.00 0.00 WAT +ATOM 50041 H2 TIP3 14577 -17.371 13.641 20.726 1.00 0.00 WAT +ATOM 50042 OH2 TIP3 14578 -11.641 13.991 21.350 1.00 0.00 WAT +ATOM 50043 H1 TIP3 14578 -11.467 13.936 20.401 1.00 0.00 WAT +ATOM 50044 H2 TIP3 14578 -12.078 13.140 21.532 1.00 0.00 WAT +ATOM 50045 OH2 TIP3 14579 -10.502 14.069 17.192 1.00 0.00 WAT +ATOM 50046 H1 TIP3 14579 -11.313 14.573 16.991 1.00 0.00 WAT +ATOM 50047 H2 TIP3 14579 -10.846 13.163 17.319 1.00 0.00 WAT +ATOM 50048 OH2 TIP3 14580 -22.828 29.609 17.104 1.00 0.00 WAT +ATOM 50049 H1 TIP3 14580 -23.401 29.492 16.333 1.00 0.00 WAT +ATOM 50050 H2 TIP3 14580 -22.758 30.574 17.127 1.00 0.00 WAT +ATOM 50051 OH2 TIP3 14581 -21.236 15.483 14.321 1.00 0.00 WAT +ATOM 50052 H1 TIP3 14581 -20.646 14.911 13.801 1.00 0.00 WAT +ATOM 50053 H2 TIP3 14581 -20.620 15.823 14.996 1.00 0.00 WAT +ATOM 50054 OH2 TIP3 14582 -16.202 15.589 16.953 1.00 0.00 WAT +ATOM 50055 H1 TIP3 14582 -15.779 15.018 17.613 1.00 0.00 WAT +ATOM 50056 H2 TIP3 14582 -15.908 16.459 17.263 1.00 0.00 WAT +ATOM 50057 OH2 TIP3 14583 -14.092 31.406 15.191 1.00 0.00 WAT +ATOM 50058 H1 TIP3 14583 -13.119 31.408 15.148 1.00 0.00 WAT +ATOM 50059 H2 TIP3 14583 -14.291 30.734 14.518 1.00 0.00 WAT +ATOM 50060 OH2 TIP3 14584 -7.581 30.456 17.782 1.00 0.00 WAT +ATOM 50061 H1 TIP3 14584 -7.801 29.592 17.372 1.00 0.00 WAT +ATOM 50062 H2 TIP3 14584 -7.636 31.046 17.014 1.00 0.00 WAT +ATOM 50063 OH2 TIP3 14585 -21.950 14.383 29.532 1.00 0.00 WAT +ATOM 50064 H1 TIP3 14585 -22.362 13.596 29.931 1.00 0.00 WAT +ATOM 50065 H2 TIP3 14585 -21.037 14.288 29.848 1.00 0.00 WAT +ATOM 50066 OH2 TIP3 14586 -19.566 13.776 31.300 1.00 0.00 WAT +ATOM 50067 H1 TIP3 14586 -18.754 13.403 30.903 1.00 0.00 WAT +ATOM 50068 H2 TIP3 14586 -19.935 12.991 31.737 1.00 0.00 WAT +ATOM 50069 OH2 TIP3 14587 -21.384 30.478 13.880 1.00 0.00 WAT +ATOM 50070 H1 TIP3 14587 -21.513 30.829 14.771 1.00 0.00 WAT +ATOM 50071 H2 TIP3 14587 -20.544 29.990 13.962 1.00 0.00 WAT +ATOM 50072 OH2 TIP3 14588 -11.476 12.889 31.454 1.00 0.00 WAT +ATOM 50073 H1 TIP3 14588 -11.460 12.481 32.343 1.00 0.00 WAT +ATOM 50074 H2 TIP3 14588 -10.530 12.848 31.213 1.00 0.00 WAT +ATOM 50075 OH2 TIP3 14589 -8.093 29.223 30.161 1.00 0.00 WAT +ATOM 50076 H1 TIP3 14589 -8.823 29.028 29.545 1.00 0.00 WAT +ATOM 50077 H2 TIP3 14589 -8.268 30.159 30.360 1.00 0.00 WAT +ATOM 50078 OH2 TIP3 14590 6.113 22.905 20.304 1.00 0.00 WAT +ATOM 50079 H1 TIP3 14590 6.099 23.872 20.393 1.00 0.00 WAT +ATOM 50080 H2 TIP3 14590 5.356 22.755 19.720 1.00 0.00 WAT +ATOM 50081 OH2 TIP3 14591 4.943 22.354 23.377 1.00 0.00 WAT +ATOM 50082 H1 TIP3 14591 4.949 21.776 24.157 1.00 0.00 WAT +ATOM 50083 H2 TIP3 14591 4.702 21.729 22.677 1.00 0.00 WAT +ATOM 50084 OH2 TIP3 14592 -2.582 21.944 25.056 1.00 0.00 WAT +ATOM 50085 H1 TIP3 14592 -2.558 21.192 25.673 1.00 0.00 WAT +ATOM 50086 H2 TIP3 14592 -1.834 22.471 25.373 1.00 0.00 WAT +ATOM 50087 OH2 TIP3 14593 8.637 25.102 21.688 1.00 0.00 WAT +ATOM 50088 H1 TIP3 14593 8.271 24.368 22.200 1.00 0.00 WAT +ATOM 50089 H2 TIP3 14593 8.935 25.693 22.391 1.00 0.00 WAT +ATOM 50090 OH2 TIP3 14594 -1.912 26.573 23.543 1.00 0.00 WAT +ATOM 50091 H1 TIP3 14594 -2.145 25.656 23.281 1.00 0.00 WAT +ATOM 50092 H2 TIP3 14594 -0.976 26.443 23.757 1.00 0.00 WAT +ATOM 50093 OH2 TIP3 14595 -4.942 19.991 18.964 1.00 0.00 WAT +ATOM 50094 H1 TIP3 14595 -5.361 20.869 18.948 1.00 0.00 WAT +ATOM 50095 H2 TIP3 14595 -5.594 19.460 18.490 1.00 0.00 WAT +ATOM 50096 OH2 TIP3 14596 -4.096 22.453 20.844 1.00 0.00 WAT +ATOM 50097 H1 TIP3 14596 -3.970 21.577 21.256 1.00 0.00 WAT +ATOM 50098 H2 TIP3 14596 -3.310 22.521 20.286 1.00 0.00 WAT +ATOM 50099 OH2 TIP3 14597 5.716 30.451 22.262 1.00 0.00 WAT +ATOM 50100 H1 TIP3 14597 6.291 29.737 21.924 1.00 0.00 WAT +ATOM 50101 H2 TIP3 14597 5.433 30.085 23.110 1.00 0.00 WAT +ATOM 50102 OH2 TIP3 14598 3.446 24.860 23.937 1.00 0.00 WAT +ATOM 50103 H1 TIP3 14598 3.761 24.134 23.369 1.00 0.00 WAT +ATOM 50104 H2 TIP3 14598 4.262 25.004 24.455 1.00 0.00 WAT +ATOM 50105 OH2 TIP3 14599 12.114 16.377 24.573 1.00 0.00 WAT +ATOM 50106 H1 TIP3 14599 12.368 16.989 25.283 1.00 0.00 WAT +ATOM 50107 H2 TIP3 14599 12.727 16.653 23.866 1.00 0.00 WAT +ATOM 50108 OH2 TIP3 14600 6.750 19.192 24.444 1.00 0.00 WAT +ATOM 50109 H1 TIP3 14600 6.881 18.231 24.515 1.00 0.00 WAT +ATOM 50110 H2 TIP3 14600 6.662 19.300 23.484 1.00 0.00 WAT +ATOM 50111 OH2 TIP3 14601 -0.320 17.203 21.533 1.00 0.00 WAT +ATOM 50112 H1 TIP3 14601 -0.141 18.045 21.070 1.00 0.00 WAT +ATOM 50113 H2 TIP3 14601 -0.628 16.664 20.777 1.00 0.00 WAT +ATOM 50114 OH2 TIP3 14602 7.570 17.373 19.842 1.00 0.00 WAT +ATOM 50115 H1 TIP3 14602 8.148 16.940 20.508 1.00 0.00 WAT +ATOM 50116 H2 TIP3 14602 8.233 17.801 19.281 1.00 0.00 WAT +ATOM 50117 OH2 TIP3 14603 -3.613 19.910 22.043 1.00 0.00 WAT +ATOM 50118 H1 TIP3 14603 -2.943 19.448 22.571 1.00 0.00 WAT +ATOM 50119 H2 TIP3 14603 -3.524 19.464 21.181 1.00 0.00 WAT +ATOM 50120 OH2 TIP3 14604 1.778 21.314 21.501 1.00 0.00 WAT +ATOM 50121 H1 TIP3 14604 2.499 20.772 21.878 1.00 0.00 WAT +ATOM 50122 H2 TIP3 14604 1.294 20.646 20.980 1.00 0.00 WAT +ATOM 50123 OH2 TIP3 14605 12.860 17.757 27.064 1.00 0.00 WAT +ATOM 50124 H1 TIP3 14605 12.257 18.463 26.768 1.00 0.00 WAT +ATOM 50125 H2 TIP3 14605 12.614 17.696 27.997 1.00 0.00 WAT +ATOM 50126 OH2 TIP3 14606 -1.557 15.949 25.714 1.00 0.00 WAT +ATOM 50127 H1 TIP3 14606 -1.880 16.452 24.951 1.00 0.00 WAT +ATOM 50128 H2 TIP3 14606 -2.138 16.259 26.420 1.00 0.00 WAT +ATOM 50129 OH2 TIP3 14607 6.029 25.767 19.074 1.00 0.00 WAT +ATOM 50130 H1 TIP3 14607 5.697 25.499 18.214 1.00 0.00 WAT +ATOM 50131 H2 TIP3 14607 5.541 26.592 19.246 1.00 0.00 WAT +ATOM 50132 OH2 TIP3 14608 1.461 23.881 25.806 1.00 0.00 WAT +ATOM 50133 H1 TIP3 14608 0.721 24.476 26.046 1.00 0.00 WAT +ATOM 50134 H2 TIP3 14608 2.082 24.484 25.359 1.00 0.00 WAT +ATOM 50135 OH2 TIP3 14609 9.395 16.618 21.871 1.00 0.00 WAT +ATOM 50136 H1 TIP3 14609 9.015 16.001 22.509 1.00 0.00 WAT +ATOM 50137 H2 TIP3 14609 9.927 17.196 22.444 1.00 0.00 WAT +ATOM 50138 OH2 TIP3 14610 -1.881 18.008 23.643 1.00 0.00 WAT +ATOM 50139 H1 TIP3 14610 -1.229 18.600 24.079 1.00 0.00 WAT +ATOM 50140 H2 TIP3 14610 -1.323 17.659 22.911 1.00 0.00 WAT +ATOM 50141 OH2 TIP3 14611 -0.566 25.743 26.525 1.00 0.00 WAT +ATOM 50142 H1 TIP3 14611 -0.599 26.668 26.219 1.00 0.00 WAT +ATOM 50143 H2 TIP3 14611 -1.430 25.678 26.972 1.00 0.00 WAT +ATOM 50144 OH2 TIP3 14612 -4.305 25.418 17.407 1.00 0.00 WAT +ATOM 50145 H1 TIP3 14612 -4.544 25.903 16.601 1.00 0.00 WAT +ATOM 50146 H2 TIP3 14612 -4.166 26.118 18.072 1.00 0.00 WAT +ATOM 50147 OH2 TIP3 14613 9.203 26.898 24.197 1.00 0.00 WAT +ATOM 50148 H1 TIP3 14613 8.234 27.006 24.207 1.00 0.00 WAT +ATOM 50149 H2 TIP3 14613 9.476 27.749 23.812 1.00 0.00 WAT +ATOM 50150 OH2 TIP3 14614 9.528 15.801 25.728 1.00 0.00 WAT +ATOM 50151 H1 TIP3 14614 8.752 16.155 25.254 1.00 0.00 WAT +ATOM 50152 H2 TIP3 14614 10.248 15.949 25.087 1.00 0.00 WAT +ATOM 50153 OH2 TIP3 14615 2.653 13.497 22.739 1.00 0.00 WAT +ATOM 50154 H1 TIP3 14615 2.456 12.543 22.711 1.00 0.00 WAT +ATOM 50155 H2 TIP3 14615 1.836 13.855 23.144 1.00 0.00 WAT +ATOM 50156 OH2 TIP3 14616 7.510 28.830 20.772 1.00 0.00 WAT +ATOM 50157 H1 TIP3 14616 7.979 28.029 20.460 1.00 0.00 WAT +ATOM 50158 H2 TIP3 14616 8.184 29.517 20.624 1.00 0.00 WAT +ATOM 50159 OH2 TIP3 14617 8.951 26.700 19.371 1.00 0.00 WAT +ATOM 50160 H1 TIP3 14617 8.437 26.234 18.696 1.00 0.00 WAT +ATOM 50161 H2 TIP3 14617 8.904 26.060 20.109 1.00 0.00 WAT +ATOM 50162 OH2 TIP3 14618 10.494 25.528 27.858 1.00 0.00 WAT +ATOM 50163 H1 TIP3 14618 10.394 24.864 27.150 1.00 0.00 WAT +ATOM 50164 H2 TIP3 14618 10.639 26.345 27.349 1.00 0.00 WAT +ATOM 50165 OH2 TIP3 14619 4.766 22.445 17.566 1.00 0.00 WAT +ATOM 50166 H1 TIP3 14619 4.098 23.014 17.145 1.00 0.00 WAT +ATOM 50167 H2 TIP3 14619 5.478 22.448 16.903 1.00 0.00 WAT +ATOM 50168 OH2 TIP3 14620 5.028 20.619 14.632 1.00 0.00 WAT +ATOM 50169 H1 TIP3 14620 5.753 20.923 15.207 1.00 0.00 WAT +ATOM 50170 H2 TIP3 14620 5.520 20.041 14.028 1.00 0.00 WAT +ATOM 50171 OH2 TIP3 14621 12.254 21.691 25.803 1.00 0.00 WAT +ATOM 50172 H1 TIP3 14621 11.538 22.350 25.883 1.00 0.00 WAT +ATOM 50173 H2 TIP3 14621 12.740 22.033 25.027 1.00 0.00 WAT +ATOM 50174 OH2 TIP3 14622 8.282 22.435 18.636 1.00 0.00 WAT +ATOM 50175 H1 TIP3 14622 7.592 22.630 19.310 1.00 0.00 WAT +ATOM 50176 H2 TIP3 14622 8.880 21.860 19.148 1.00 0.00 WAT +ATOM 50177 OH2 TIP3 14623 8.113 20.956 27.480 1.00 0.00 WAT +ATOM 50178 H1 TIP3 14623 8.158 21.781 27.989 1.00 0.00 WAT +ATOM 50179 H2 TIP3 14623 7.462 21.228 26.809 1.00 0.00 WAT +ATOM 50180 OH2 TIP3 14624 -0.137 23.195 20.410 1.00 0.00 WAT +ATOM 50181 H1 TIP3 14624 -0.455 22.757 19.595 1.00 0.00 WAT +ATOM 50182 H2 TIP3 14624 0.511 22.548 20.744 1.00 0.00 WAT +ATOM 50183 OH2 TIP3 14625 1.237 26.609 23.144 1.00 0.00 WAT +ATOM 50184 H1 TIP3 14625 1.122 26.200 22.275 1.00 0.00 WAT +ATOM 50185 H2 TIP3 14625 2.025 26.135 23.476 1.00 0.00 WAT +ATOM 50186 OH2 TIP3 14626 0.440 22.008 23.907 1.00 0.00 WAT +ATOM 50187 H1 TIP3 14626 1.008 22.013 23.111 1.00 0.00 WAT +ATOM 50188 H2 TIP3 14626 0.872 22.665 24.483 1.00 0.00 WAT +ATOM 50189 OH2 TIP3 14627 6.376 27.531 24.478 1.00 0.00 WAT +ATOM 50190 H1 TIP3 14627 6.428 28.179 25.201 1.00 0.00 WAT +ATOM 50191 H2 TIP3 14627 6.170 26.697 24.937 1.00 0.00 WAT +ATOM 50192 OH2 TIP3 14628 1.300 26.329 28.725 1.00 0.00 WAT +ATOM 50193 H1 TIP3 14628 0.783 26.985 29.225 1.00 0.00 WAT +ATOM 50194 H2 TIP3 14628 0.659 26.054 28.042 1.00 0.00 WAT +ATOM 50195 OH2 TIP3 14629 7.229 21.884 16.078 1.00 0.00 WAT +ATOM 50196 H1 TIP3 14629 7.718 22.148 16.885 1.00 0.00 WAT +ATOM 50197 H2 TIP3 14629 7.716 22.389 15.382 1.00 0.00 WAT +ATOM 50198 OH2 TIP3 14630 -1.780 22.771 27.843 1.00 0.00 WAT +ATOM 50199 H1 TIP3 14630 -1.723 23.309 28.652 1.00 0.00 WAT +ATOM 50200 H2 TIP3 14630 -2.732 22.612 27.773 1.00 0.00 WAT +ATOM 50201 OH2 TIP3 14631 4.683 28.468 19.652 1.00 0.00 WAT +ATOM 50202 H1 TIP3 14631 5.157 28.755 20.441 1.00 0.00 WAT +ATOM 50203 H2 TIP3 14631 4.187 29.257 19.389 1.00 0.00 WAT +ATOM 50204 OH2 TIP3 14632 -0.614 28.531 29.558 1.00 0.00 WAT +ATOM 50205 H1 TIP3 14632 -0.714 28.539 28.591 1.00 0.00 WAT +ATOM 50206 H2 TIP3 14632 -1.487 28.226 29.873 1.00 0.00 WAT +ATOM 50207 OH2 TIP3 14633 10.862 13.412 15.590 1.00 0.00 WAT +ATOM 50208 H1 TIP3 14633 9.971 13.438 15.971 1.00 0.00 WAT +ATOM 50209 H2 TIP3 14633 11.162 14.323 15.684 1.00 0.00 WAT +ATOM 50210 OH2 TIP3 14634 -1.237 21.956 17.975 1.00 0.00 WAT +ATOM 50211 H1 TIP3 14634 -1.422 22.700 17.376 1.00 0.00 WAT +ATOM 50212 H2 TIP3 14634 -1.851 21.282 17.657 1.00 0.00 WAT +ATOM 50213 OH2 TIP3 14635 12.041 27.748 14.117 1.00 0.00 WAT +ATOM 50214 H1 TIP3 14635 12.204 28.678 14.367 1.00 0.00 WAT +ATOM 50215 H2 TIP3 14635 12.905 27.335 14.314 1.00 0.00 WAT +ATOM 50216 OH2 TIP3 14636 -5.152 24.625 26.669 1.00 0.00 WAT +ATOM 50217 H1 TIP3 14636 -5.596 24.636 25.797 1.00 0.00 WAT +ATOM 50218 H2 TIP3 14636 -5.023 23.671 26.817 1.00 0.00 WAT +ATOM 50219 OH2 TIP3 14637 -5.088 27.566 23.591 1.00 0.00 WAT +ATOM 50220 H1 TIP3 14637 -4.179 27.233 23.633 1.00 0.00 WAT +ATOM 50221 H2 TIP3 14637 -5.125 28.126 24.378 1.00 0.00 WAT +ATOM 50222 OH2 TIP3 14638 13.295 28.132 29.371 1.00 0.00 WAT +ATOM 50223 H1 TIP3 14638 13.189 27.179 29.192 1.00 0.00 WAT +ATOM 50224 H2 TIP3 14638 12.385 28.368 29.652 1.00 0.00 WAT +ATOM 50225 OH2 TIP3 14639 3.932 27.380 28.165 1.00 0.00 WAT +ATOM 50226 H1 TIP3 14639 4.008 28.198 28.696 1.00 0.00 WAT +ATOM 50227 H2 TIP3 14639 3.035 27.071 28.403 1.00 0.00 WAT +ATOM 50228 OH2 TIP3 14640 4.187 31.202 18.157 1.00 0.00 WAT +ATOM 50229 H1 TIP3 14640 4.222 31.256 17.186 1.00 0.00 WAT +ATOM 50230 H2 TIP3 14640 4.297 32.124 18.432 1.00 0.00 WAT +ATOM 50231 OH2 TIP3 14641 -1.985 30.341 19.780 1.00 0.00 WAT +ATOM 50232 H1 TIP3 14641 -1.829 29.867 20.622 1.00 0.00 WAT +ATOM 50233 H2 TIP3 14641 -2.787 29.900 19.464 1.00 0.00 WAT +ATOM 50234 OH2 TIP3 14642 7.528 30.612 15.329 1.00 0.00 WAT +ATOM 50235 H1 TIP3 14642 8.100 29.959 14.879 1.00 0.00 WAT +ATOM 50236 H2 TIP3 14642 7.470 30.226 16.227 1.00 0.00 WAT +ATOM 50237 OH2 TIP3 14643 6.912 30.051 18.144 1.00 0.00 WAT +ATOM 50238 H1 TIP3 14643 5.952 30.142 18.271 1.00 0.00 WAT +ATOM 50239 H2 TIP3 14643 7.088 29.308 18.748 1.00 0.00 WAT +ATOM 50240 OH2 TIP3 14644 10.068 19.515 29.783 1.00 0.00 WAT +ATOM 50241 H1 TIP3 14644 9.557 19.897 29.056 1.00 0.00 WAT +ATOM 50242 H2 TIP3 14644 10.117 18.578 29.510 1.00 0.00 WAT +ATOM 50243 OH2 TIP3 14645 -2.983 26.173 27.936 1.00 0.00 WAT +ATOM 50244 H1 TIP3 14645 -2.684 25.680 28.727 1.00 0.00 WAT +ATOM 50245 H2 TIP3 14645 -3.687 25.605 27.574 1.00 0.00 WAT +ATOM 50246 OH2 TIP3 14646 0.226 14.612 23.685 1.00 0.00 WAT +ATOM 50247 H1 TIP3 14646 -0.588 14.599 23.154 1.00 0.00 WAT +ATOM 50248 H2 TIP3 14646 0.053 15.367 24.265 1.00 0.00 WAT +ATOM 50249 OH2 TIP3 14647 4.601 14.172 27.229 1.00 0.00 WAT +ATOM 50250 H1 TIP3 14647 5.145 13.744 27.918 1.00 0.00 WAT +ATOM 50251 H2 TIP3 14647 3.696 13.913 27.500 1.00 0.00 WAT +ATOM 50252 OH2 TIP3 14648 7.747 17.989 27.892 1.00 0.00 WAT +ATOM 50253 H1 TIP3 14648 7.138 17.846 28.639 1.00 0.00 WAT +ATOM 50254 H2 TIP3 14648 7.674 18.943 27.722 1.00 0.00 WAT +ATOM 50255 OH2 TIP3 14649 8.740 22.953 14.000 1.00 0.00 WAT +ATOM 50256 H1 TIP3 14649 8.563 22.702 13.074 1.00 0.00 WAT +ATOM 50257 H2 TIP3 14649 9.690 23.159 13.958 1.00 0.00 WAT +ATOM 50258 OH2 TIP3 14650 4.444 16.758 14.649 1.00 0.00 WAT +ATOM 50259 H1 TIP3 14650 3.949 16.602 15.466 1.00 0.00 WAT +ATOM 50260 H2 TIP3 14650 4.012 16.113 14.061 1.00 0.00 WAT +ATOM 50261 OH2 TIP3 14651 0.065 19.414 25.060 1.00 0.00 WAT +ATOM 50262 H1 TIP3 14651 -0.413 19.567 25.890 1.00 0.00 WAT +ATOM 50263 H2 TIP3 14651 0.188 20.326 24.719 1.00 0.00 WAT +ATOM 50264 OH2 TIP3 14652 0.035 19.498 19.965 1.00 0.00 WAT +ATOM 50265 H1 TIP3 14652 -0.918 19.387 19.792 1.00 0.00 WAT +ATOM 50266 H2 TIP3 14652 0.399 19.292 19.079 1.00 0.00 WAT +ATOM 50267 OH2 TIP3 14653 5.652 20.062 18.752 1.00 0.00 WAT +ATOM 50268 H1 TIP3 14653 5.246 20.882 18.399 1.00 0.00 WAT +ATOM 50269 H2 TIP3 14653 6.329 19.879 18.078 1.00 0.00 WAT +ATOM 50270 OH2 TIP3 14654 4.917 20.357 30.032 1.00 0.00 WAT +ATOM 50271 H1 TIP3 14654 4.393 19.617 30.403 1.00 0.00 WAT +ATOM 50272 H2 TIP3 14654 5.791 20.194 30.432 1.00 0.00 WAT +ATOM 50273 OH2 TIP3 14655 6.499 19.456 21.524 1.00 0.00 WAT +ATOM 50274 H1 TIP3 14655 6.206 20.016 20.777 1.00 0.00 WAT +ATOM 50275 H2 TIP3 14655 6.722 18.641 21.030 1.00 0.00 WAT +ATOM 50276 OH2 TIP3 14656 -2.678 19.612 27.015 1.00 0.00 WAT +ATOM 50277 H1 TIP3 14656 -2.122 19.866 27.766 1.00 0.00 WAT +ATOM 50278 H2 TIP3 14656 -2.953 18.713 27.264 1.00 0.00 WAT +ATOM 50279 OH2 TIP3 14657 0.874 17.212 13.516 1.00 0.00 WAT +ATOM 50280 H1 TIP3 14657 0.512 16.831 14.344 1.00 0.00 WAT +ATOM 50281 H2 TIP3 14657 0.075 17.329 12.994 1.00 0.00 WAT +ATOM 50282 OH2 TIP3 14658 -5.720 17.013 20.556 1.00 0.00 WAT +ATOM 50283 H1 TIP3 14658 -5.051 16.966 21.256 1.00 0.00 WAT +ATOM 50284 H2 TIP3 14658 -5.271 16.637 19.772 1.00 0.00 WAT +ATOM 50285 OH2 TIP3 14659 -4.087 17.485 16.285 1.00 0.00 WAT +ATOM 50286 H1 TIP3 14659 -3.571 17.946 15.602 1.00 0.00 WAT +ATOM 50287 H2 TIP3 14659 -4.831 18.090 16.449 1.00 0.00 WAT +ATOM 50288 OH2 TIP3 14660 5.601 21.129 25.993 1.00 0.00 WAT +ATOM 50289 H1 TIP3 14660 6.036 20.408 25.480 1.00 0.00 WAT +ATOM 50290 H2 TIP3 14660 5.278 20.644 26.764 1.00 0.00 WAT +ATOM 50291 OH2 TIP3 14661 2.809 17.107 21.003 1.00 0.00 WAT +ATOM 50292 H1 TIP3 14661 1.869 17.014 21.224 1.00 0.00 WAT +ATOM 50293 H2 TIP3 14661 3.234 16.873 21.847 1.00 0.00 WAT +ATOM 50294 OH2 TIP3 14662 -2.635 18.314 19.674 1.00 0.00 WAT +ATOM 50295 H1 TIP3 14662 -3.454 18.553 19.204 1.00 0.00 WAT +ATOM 50296 H2 TIP3 14662 -2.339 17.514 19.199 1.00 0.00 WAT +ATOM 50297 OH2 TIP3 14663 1.006 18.689 17.385 1.00 0.00 WAT +ATOM 50298 H1 TIP3 14663 1.979 18.711 17.412 1.00 0.00 WAT +ATOM 50299 H2 TIP3 14663 0.781 19.252 16.626 1.00 0.00 WAT +ATOM 50300 OH2 TIP3 14664 7.188 16.232 24.028 1.00 0.00 WAT +ATOM 50301 H1 TIP3 14664 6.540 16.222 24.765 1.00 0.00 WAT +ATOM 50302 H2 TIP3 14664 6.629 15.886 23.312 1.00 0.00 WAT +ATOM 50303 OH2 TIP3 14665 -0.566 19.926 15.101 1.00 0.00 WAT +ATOM 50304 H1 TIP3 14665 -1.109 19.577 14.378 1.00 0.00 WAT +ATOM 50305 H2 TIP3 14665 0.274 20.092 14.639 1.00 0.00 WAT +ATOM 50306 OH2 TIP3 14666 10.192 32.011 30.680 1.00 0.00 WAT +ATOM 50307 H1 TIP3 14666 10.427 32.451 29.846 1.00 0.00 WAT +ATOM 50308 H2 TIP3 14666 10.904 32.306 31.271 1.00 0.00 WAT +ATOM 50309 OH2 TIP3 14667 -1.896 24.630 30.105 1.00 0.00 WAT +ATOM 50310 H1 TIP3 14667 -1.203 24.694 30.796 1.00 0.00 WAT +ATOM 50311 H2 TIP3 14667 -2.688 24.623 30.675 1.00 0.00 WAT +ATOM 50312 OH2 TIP3 14668 3.822 19.630 22.832 1.00 0.00 WAT +ATOM 50313 H1 TIP3 14668 4.547 19.191 22.363 1.00 0.00 WAT +ATOM 50314 H2 TIP3 14668 3.657 19.010 23.571 1.00 0.00 WAT +ATOM 50315 OH2 TIP3 14669 -0.909 16.004 19.035 1.00 0.00 WAT +ATOM 50316 H1 TIP3 14669 -1.449 15.201 19.104 1.00 0.00 WAT +ATOM 50317 H2 TIP3 14669 -0.103 15.666 18.621 1.00 0.00 WAT +ATOM 50318 OH2 TIP3 14670 2.803 18.090 25.052 1.00 0.00 WAT +ATOM 50319 H1 TIP3 14670 2.022 18.662 25.102 1.00 0.00 WAT +ATOM 50320 H2 TIP3 14670 3.292 18.309 25.870 1.00 0.00 WAT +ATOM 50321 OH2 TIP3 14671 2.902 24.512 16.956 1.00 0.00 WAT +ATOM 50322 H1 TIP3 14671 2.166 23.963 16.609 1.00 0.00 WAT +ATOM 50323 H2 TIP3 14671 2.737 24.503 17.926 1.00 0.00 WAT +ATOM 50324 OH2 TIP3 14672 10.153 23.648 25.707 1.00 0.00 WAT +ATOM 50325 H1 TIP3 14672 10.656 24.176 25.051 1.00 0.00 WAT +ATOM 50326 H2 TIP3 14672 9.304 23.521 25.239 1.00 0.00 WAT +ATOM 50327 OH2 TIP3 14673 7.163 17.216 14.663 1.00 0.00 WAT +ATOM 50328 H1 TIP3 14673 6.181 17.211 14.635 1.00 0.00 WAT +ATOM 50329 H2 TIP3 14673 7.356 17.960 15.265 1.00 0.00 WAT +ATOM 50330 OH2 TIP3 14674 4.580 24.489 28.279 1.00 0.00 WAT +ATOM 50331 H1 TIP3 14674 4.282 24.146 29.132 1.00 0.00 WAT +ATOM 50332 H2 TIP3 14674 4.267 25.406 28.294 1.00 0.00 WAT +ATOM 50333 OH2 TIP3 14675 7.751 19.103 16.772 1.00 0.00 WAT +ATOM 50334 H1 TIP3 14675 8.629 18.941 17.169 1.00 0.00 WAT +ATOM 50335 H2 TIP3 14675 7.871 19.966 16.338 1.00 0.00 WAT +ATOM 50336 OH2 TIP3 14676 -1.910 23.876 22.791 1.00 0.00 WAT +ATOM 50337 H1 TIP3 14676 -1.382 23.765 21.982 1.00 0.00 WAT +ATOM 50338 H2 TIP3 14676 -1.820 23.004 23.204 1.00 0.00 WAT +ATOM 50339 OH2 TIP3 14677 5.327 25.844 15.876 1.00 0.00 WAT +ATOM 50340 H1 TIP3 14677 5.072 26.693 16.289 1.00 0.00 WAT +ATOM 50341 H2 TIP3 14677 4.593 25.271 16.158 1.00 0.00 WAT +ATOM 50342 OH2 TIP3 14678 -4.782 22.182 28.142 1.00 0.00 WAT +ATOM 50343 H1 TIP3 14678 -4.431 21.673 28.899 1.00 0.00 WAT +ATOM 50344 H2 TIP3 14678 -5.224 21.520 27.587 1.00 0.00 WAT +ATOM 50345 OH2 TIP3 14679 2.319 21.700 29.977 1.00 0.00 WAT +ATOM 50346 H1 TIP3 14679 2.008 21.394 29.111 1.00 0.00 WAT +ATOM 50347 H2 TIP3 14679 3.236 21.374 29.960 1.00 0.00 WAT +ATOM 50348 OH2 TIP3 14680 6.848 27.116 27.742 1.00 0.00 WAT +ATOM 50349 H1 TIP3 14680 5.878 27.152 27.688 1.00 0.00 WAT +ATOM 50350 H2 TIP3 14680 7.004 27.320 28.678 1.00 0.00 WAT +ATOM 50351 OH2 TIP3 14681 12.367 19.115 16.534 1.00 0.00 WAT +ATOM 50352 H1 TIP3 14681 11.807 18.896 15.766 1.00 0.00 WAT +ATOM 50353 H2 TIP3 14681 12.468 20.076 16.385 1.00 0.00 WAT +ATOM 50354 OH2 TIP3 14682 12.836 25.201 29.324 1.00 0.00 WAT +ATOM 50355 H1 TIP3 14682 11.893 25.385 29.129 1.00 0.00 WAT +ATOM 50356 H2 TIP3 14682 13.165 24.975 28.428 1.00 0.00 WAT +ATOM 50357 OH2 TIP3 14683 10.577 27.738 16.630 1.00 0.00 WAT +ATOM 50358 H1 TIP3 14683 10.343 26.962 17.163 1.00 0.00 WAT +ATOM 50359 H2 TIP3 14683 11.107 27.355 15.917 1.00 0.00 WAT +ATOM 50360 OH2 TIP3 14684 7.815 23.071 24.003 1.00 0.00 WAT +ATOM 50361 H1 TIP3 14684 6.884 22.905 23.763 1.00 0.00 WAT +ATOM 50362 H2 TIP3 14684 8.257 22.346 23.517 1.00 0.00 WAT +ATOM 50363 OH2 TIP3 14685 0.440 27.147 20.051 1.00 0.00 WAT +ATOM 50364 H1 TIP3 14685 0.871 28.005 19.911 1.00 0.00 WAT +ATOM 50365 H2 TIP3 14685 -0.470 27.335 19.792 1.00 0.00 WAT +ATOM 50366 OH2 TIP3 14686 -3.587 21.991 14.738 1.00 0.00 WAT +ATOM 50367 H1 TIP3 14686 -3.005 22.656 15.149 1.00 0.00 WAT +ATOM 50368 H2 TIP3 14686 -4.455 22.226 15.124 1.00 0.00 WAT +ATOM 50369 OH2 TIP3 14687 2.288 24.842 19.684 1.00 0.00 WAT +ATOM 50370 H1 TIP3 14687 1.961 25.746 19.812 1.00 0.00 WAT +ATOM 50371 H2 TIP3 14687 1.582 24.324 20.098 1.00 0.00 WAT +ATOM 50372 OH2 TIP3 14688 2.442 29.106 26.026 1.00 0.00 WAT +ATOM 50373 H1 TIP3 14688 3.016 29.837 25.741 1.00 0.00 WAT +ATOM 50374 H2 TIP3 14688 3.056 28.590 26.575 1.00 0.00 WAT +ATOM 50375 OH2 TIP3 14689 0.890 30.050 19.271 1.00 0.00 WAT +ATOM 50376 H1 TIP3 14689 -0.068 30.193 19.338 1.00 0.00 WAT +ATOM 50377 H2 TIP3 14689 1.237 30.933 19.493 1.00 0.00 WAT +ATOM 50378 OH2 TIP3 14690 5.865 24.860 25.594 1.00 0.00 WAT +ATOM 50379 H1 TIP3 14690 5.572 24.557 26.472 1.00 0.00 WAT +ATOM 50380 H2 TIP3 14690 6.587 24.238 25.400 1.00 0.00 WAT +ATOM 50381 OH2 TIP3 14691 8.030 26.187 14.524 1.00 0.00 WAT +ATOM 50382 H1 TIP3 14691 8.448 25.697 15.257 1.00 0.00 WAT +ATOM 50383 H2 TIP3 14691 7.099 26.012 14.745 1.00 0.00 WAT +ATOM 50384 OH2 TIP3 14692 8.796 29.423 27.992 1.00 0.00 WAT +ATOM 50385 H1 TIP3 14692 8.047 28.946 27.582 1.00 0.00 WAT +ATOM 50386 H2 TIP3 14692 8.889 30.202 27.415 1.00 0.00 WAT +ATOM 50387 OH2 TIP3 14693 12.764 30.417 15.049 1.00 0.00 WAT +ATOM 50388 H1 TIP3 14693 13.460 31.058 14.830 1.00 0.00 WAT +ATOM 50389 H2 TIP3 14693 11.993 31.012 15.037 1.00 0.00 WAT +ATOM 50390 OH2 TIP3 14694 -3.787 16.932 27.697 1.00 0.00 WAT +ATOM 50391 H1 TIP3 14694 -4.370 16.709 26.961 1.00 0.00 WAT +ATOM 50392 H2 TIP3 14694 -3.595 16.054 28.069 1.00 0.00 WAT +ATOM 50393 OH2 TIP3 14695 8.997 24.770 16.886 1.00 0.00 WAT +ATOM 50394 H1 TIP3 14695 8.716 24.043 17.470 1.00 0.00 WAT +ATOM 50395 H2 TIP3 14695 9.966 24.730 16.977 1.00 0.00 WAT +ATOM 50396 OH2 TIP3 14696 -3.600 28.552 26.069 1.00 0.00 WAT +ATOM 50397 H1 TIP3 14696 -3.300 27.640 26.201 1.00 0.00 WAT +ATOM 50398 H2 TIP3 14696 -3.350 28.939 26.917 1.00 0.00 WAT +ATOM 50399 OH2 TIP3 14697 2.264 27.214 13.090 1.00 0.00 WAT +ATOM 50400 H1 TIP3 14697 2.540 26.425 12.587 1.00 0.00 WAT +ATOM 50401 H2 TIP3 14697 1.843 26.802 13.865 1.00 0.00 WAT +ATOM 50402 OH2 TIP3 14698 1.097 26.717 15.793 1.00 0.00 WAT +ATOM 50403 H1 TIP3 14698 1.619 26.168 16.399 1.00 0.00 WAT +ATOM 50404 H2 TIP3 14698 1.262 27.622 16.131 1.00 0.00 WAT +ATOM 50405 OH2 TIP3 14699 -2.061 24.199 16.211 1.00 0.00 WAT +ATOM 50406 H1 TIP3 14699 -2.802 24.560 16.738 1.00 0.00 WAT +ATOM 50407 H2 TIP3 14699 -1.604 25.014 15.947 1.00 0.00 WAT +ATOM 50408 OH2 TIP3 14700 5.591 16.644 26.225 1.00 0.00 WAT +ATOM 50409 H1 TIP3 14700 6.221 16.852 26.930 1.00 0.00 WAT +ATOM 50410 H2 TIP3 14700 5.114 15.867 26.581 1.00 0.00 WAT +ATOM 50411 OH2 TIP3 14701 6.270 16.052 17.461 1.00 0.00 WAT +ATOM 50412 H1 TIP3 14701 6.433 16.581 16.666 1.00 0.00 WAT +ATOM 50413 H2 TIP3 14701 6.732 16.564 18.145 1.00 0.00 WAT +ATOM 50414 OH2 TIP3 14702 4.078 28.388 16.443 1.00 0.00 WAT +ATOM 50415 H1 TIP3 14702 3.230 28.843 16.574 1.00 0.00 WAT +ATOM 50416 H2 TIP3 14702 4.406 28.801 15.632 1.00 0.00 WAT +ATOM 50417 OH2 TIP3 14703 3.667 18.054 18.415 1.00 0.00 WAT +ATOM 50418 H1 TIP3 14703 4.430 18.653 18.554 1.00 0.00 WAT +ATOM 50419 H2 TIP3 14703 3.380 17.888 19.333 1.00 0.00 WAT +ATOM 50420 OH2 TIP3 14704 4.004 18.971 27.592 1.00 0.00 WAT +ATOM 50421 H1 TIP3 14704 4.113 19.490 28.406 1.00 0.00 WAT +ATOM 50422 H2 TIP3 14704 4.518 18.178 27.801 1.00 0.00 WAT +ATOM 50423 OH2 TIP3 14705 4.261 15.091 19.345 1.00 0.00 WAT +ATOM 50424 H1 TIP3 14705 4.074 15.776 20.013 1.00 0.00 WAT +ATOM 50425 H2 TIP3 14705 4.999 15.499 18.849 1.00 0.00 WAT +ATOM 50426 OH2 TIP3 14706 1.266 29.420 16.424 1.00 0.00 WAT +ATOM 50427 H1 TIP3 14706 1.189 30.230 15.878 1.00 0.00 WAT +ATOM 50428 H2 TIP3 14706 1.130 29.766 17.324 1.00 0.00 WAT +ATOM 50429 OH2 TIP3 14707 -0.004 16.084 15.885 1.00 0.00 WAT +ATOM 50430 H1 TIP3 14707 -0.027 16.833 16.499 1.00 0.00 WAT +ATOM 50431 H2 TIP3 14707 0.802 15.615 16.175 1.00 0.00 WAT +ATOM 50432 OH2 TIP3 14708 10.307 16.999 28.460 1.00 0.00 WAT +ATOM 50433 H1 TIP3 14708 9.343 17.105 28.328 1.00 0.00 WAT +ATOM 50434 H2 TIP3 14708 10.543 16.751 27.553 1.00 0.00 WAT +ATOM 50435 OH2 TIP3 14709 8.815 20.831 22.490 1.00 0.00 WAT +ATOM 50436 H1 TIP3 14709 7.998 20.374 22.215 1.00 0.00 WAT +ATOM 50437 H2 TIP3 14709 9.301 20.115 22.954 1.00 0.00 WAT +ATOM 50438 OH2 TIP3 14710 -1.620 26.984 14.945 1.00 0.00 WAT +ATOM 50439 H1 TIP3 14710 -0.863 27.443 15.348 1.00 0.00 WAT +ATOM 50440 H2 TIP3 14710 -1.145 26.466 14.276 1.00 0.00 WAT +ATOM 50441 OH2 TIP3 14711 -3.489 19.158 13.906 1.00 0.00 WAT +ATOM 50442 H1 TIP3 14711 -3.370 20.045 14.285 1.00 0.00 WAT +ATOM 50443 H2 TIP3 14711 -4.445 19.081 13.840 1.00 0.00 WAT +ATOM 50444 OH2 TIP3 14712 9.822 29.695 23.873 1.00 0.00 WAT +ATOM 50445 H1 TIP3 14712 9.674 30.517 23.370 1.00 0.00 WAT +ATOM 50446 H2 TIP3 14712 10.751 29.806 24.126 1.00 0.00 WAT +ATOM 50447 OH2 TIP3 14713 -2.637 14.215 22.840 1.00 0.00 WAT +ATOM 50448 H1 TIP3 14713 -2.732 14.133 21.866 1.00 0.00 WAT +ATOM 50449 H2 TIP3 14713 -2.876 13.320 23.139 1.00 0.00 WAT +ATOM 50450 OH2 TIP3 14714 -3.643 27.674 19.142 1.00 0.00 WAT +ATOM 50451 H1 TIP3 14714 -4.448 28.162 19.355 1.00 0.00 WAT +ATOM 50452 H2 TIP3 14714 -3.295 28.182 18.393 1.00 0.00 WAT +ATOM 50453 OH2 TIP3 14715 -4.265 30.590 30.284 1.00 0.00 WAT +ATOM 50454 H1 TIP3 14715 -3.672 30.308 31.007 1.00 0.00 WAT +ATOM 50455 H2 TIP3 14715 -4.641 29.732 30.000 1.00 0.00 WAT +ATOM 50456 OH2 TIP3 14716 0.416 29.650 32.067 1.00 0.00 WAT +ATOM 50457 H1 TIP3 14716 1.121 29.020 32.283 1.00 0.00 WAT +ATOM 50458 H2 TIP3 14716 0.205 29.382 31.156 1.00 0.00 WAT +ATOM 50459 OH2 TIP3 14717 4.484 28.898 13.597 1.00 0.00 WAT +ATOM 50460 H1 TIP3 14717 3.729 28.279 13.480 1.00 0.00 WAT +ATOM 50461 H2 TIP3 14717 5.200 28.358 13.222 1.00 0.00 WAT +ATOM 50462 OH2 TIP3 14718 6.901 27.931 30.657 1.00 0.00 WAT +ATOM 50463 H1 TIP3 14718 6.523 27.109 31.017 1.00 0.00 WAT +ATOM 50464 H2 TIP3 14718 7.604 28.135 31.298 1.00 0.00 WAT +ATOM 50465 OH2 TIP3 14719 9.123 28.828 13.697 1.00 0.00 WAT +ATOM 50466 H1 TIP3 14719 9.237 28.001 14.197 1.00 0.00 WAT +ATOM 50467 H2 TIP3 14719 9.919 28.834 13.136 1.00 0.00 WAT +ATOM 50468 OH2 TIP3 14720 -4.318 24.233 31.415 1.00 0.00 WAT +ATOM 50469 H1 TIP3 14720 -4.182 23.330 31.085 1.00 0.00 WAT +ATOM 50470 H2 TIP3 14720 -5.066 24.523 30.857 1.00 0.00 WAT +ATOM 50471 OH2 TIP3 14721 -0.106 24.628 13.379 1.00 0.00 WAT +ATOM 50472 H1 TIP3 14721 0.049 24.046 14.141 1.00 0.00 WAT +ATOM 50473 H2 TIP3 14721 0.770 24.596 12.946 1.00 0.00 WAT +ATOM 50474 OH2 TIP3 14722 2.318 24.412 30.749 1.00 0.00 WAT +ATOM 50475 H1 TIP3 14722 2.029 24.723 29.876 1.00 0.00 WAT +ATOM 50476 H2 TIP3 14722 2.404 23.444 30.608 1.00 0.00 WAT +ATOM 50477 OH2 TIP3 14723 5.150 25.966 13.037 1.00 0.00 WAT +ATOM 50478 H1 TIP3 14723 5.113 25.904 14.008 1.00 0.00 WAT +ATOM 50479 H2 TIP3 14723 5.112 25.012 12.809 1.00 0.00 WAT +ATOM 50480 OH2 TIP3 14724 7.696 24.025 28.141 1.00 0.00 WAT +ATOM 50481 H1 TIP3 14724 8.481 24.553 27.932 1.00 0.00 WAT +ATOM 50482 H2 TIP3 14724 6.998 24.699 28.111 1.00 0.00 WAT +ATOM 50483 OH2 TIP3 14725 -3.404 21.321 30.545 1.00 0.00 WAT +ATOM 50484 H1 TIP3 14725 -2.636 20.712 30.567 1.00 0.00 WAT +ATOM 50485 H2 TIP3 14725 -3.464 21.537 31.490 1.00 0.00 WAT +ATOM 50486 OH2 TIP3 14726 1.005 22.724 15.761 1.00 0.00 WAT +ATOM 50487 H1 TIP3 14726 0.394 22.202 16.300 1.00 0.00 WAT +ATOM 50488 H2 TIP3 14726 1.313 22.050 15.119 1.00 0.00 WAT +ATOM 50489 OH2 TIP3 14727 0.137 20.503 27.890 1.00 0.00 WAT +ATOM 50490 H1 TIP3 14727 -0.289 21.317 28.214 1.00 0.00 WAT +ATOM 50491 H2 TIP3 14727 0.889 20.861 27.384 1.00 0.00 WAT +ATOM 50492 OH2 TIP3 14728 1.962 20.732 14.033 1.00 0.00 WAT +ATOM 50493 H1 TIP3 14728 1.937 20.820 13.062 1.00 0.00 WAT +ATOM 50494 H2 TIP3 14728 2.923 20.675 14.193 1.00 0.00 WAT +ATOM 50495 OH2 TIP3 14729 5.545 23.215 31.599 1.00 0.00 WAT +ATOM 50496 H1 TIP3 14729 6.428 23.000 31.261 1.00 0.00 WAT +ATOM 50497 H2 TIP3 14729 5.262 22.359 31.950 1.00 0.00 WAT +ATOM 50498 OH2 TIP3 14730 11.461 23.221 13.297 1.00 0.00 WAT +ATOM 50499 H1 TIP3 14730 11.292 22.837 12.417 1.00 0.00 WAT +ATOM 50500 H2 TIP3 14730 11.370 24.173 13.086 1.00 0.00 WAT +ATOM 50501 OH2 TIP3 14731 0.595 17.751 29.124 1.00 0.00 WAT +ATOM 50502 H1 TIP3 14731 0.903 17.049 28.520 1.00 0.00 WAT +ATOM 50503 H2 TIP3 14731 0.658 18.541 28.565 1.00 0.00 WAT +ATOM 50504 OH2 TIP3 14732 1.154 16.238 26.618 1.00 0.00 WAT +ATOM 50505 H1 TIP3 14732 1.728 16.662 25.954 1.00 0.00 WAT +ATOM 50506 H2 TIP3 14732 0.272 16.262 26.211 1.00 0.00 WAT +ATOM 50507 OH2 TIP3 14733 2.658 21.683 26.997 1.00 0.00 WAT +ATOM 50508 H1 TIP3 14733 3.507 21.578 26.542 1.00 0.00 WAT +ATOM 50509 H2 TIP3 14733 2.386 22.570 26.687 1.00 0.00 WAT +ATOM 50510 OH2 TIP3 14734 7.296 19.640 31.822 1.00 0.00 WAT +ATOM 50511 H1 TIP3 14734 7.467 18.688 31.880 1.00 0.00 WAT +ATOM 50512 H2 TIP3 14734 8.196 19.992 31.743 1.00 0.00 WAT +ATOM 50513 OH2 TIP3 14735 8.228 22.423 30.288 1.00 0.00 WAT +ATOM 50514 H1 TIP3 14735 7.890 23.025 29.592 1.00 0.00 WAT +ATOM 50515 H2 TIP3 14735 9.120 22.247 29.928 1.00 0.00 WAT +ATOM 50516 OH2 TIP3 14736 -1.084 19.575 30.859 1.00 0.00 WAT +ATOM 50517 H1 TIP3 14736 -1.617 18.768 30.960 1.00 0.00 WAT +ATOM 50518 H2 TIP3 14736 -0.254 19.205 30.515 1.00 0.00 WAT +ATOM 50519 OH2 TIP3 14737 1.904 13.388 26.955 1.00 0.00 WAT +ATOM 50520 H1 TIP3 14737 1.672 14.296 27.203 1.00 0.00 WAT +ATOM 50521 H2 TIP3 14737 1.105 13.079 26.500 1.00 0.00 WAT +ATOM 50522 OH2 TIP3 14738 3.073 18.386 30.795 1.00 0.00 WAT +ATOM 50523 H1 TIP3 14738 2.940 17.919 31.637 1.00 0.00 WAT +ATOM 50524 H2 TIP3 14738 2.429 17.906 30.246 1.00 0.00 WAT +ATOM 50525 OH2 TIP3 14739 5.597 17.221 29.697 1.00 0.00 WAT +ATOM 50526 H1 TIP3 14739 4.686 17.096 30.016 1.00 0.00 WAT +ATOM 50527 H2 TIP3 14739 6.060 16.540 30.217 1.00 0.00 WAT +ATOM 50528 OH2 TIP3 14740 7.579 15.691 31.338 1.00 0.00 WAT +ATOM 50529 H1 TIP3 14740 7.342 14.747 31.434 1.00 0.00 WAT +ATOM 50530 H2 TIP3 14740 7.274 16.079 32.177 1.00 0.00 WAT +ATOM 50531 OH2 TIP3 14741 -2.817 17.183 30.784 1.00 0.00 WAT +ATOM 50532 H1 TIP3 14741 -2.524 16.499 30.173 1.00 0.00 WAT +ATOM 50533 H2 TIP3 14741 -2.751 16.737 31.648 1.00 0.00 WAT +ATOM 50534 OH2 TIP3 14742 1.714 31.983 15.118 1.00 0.00 WAT +ATOM 50535 H1 TIP3 14742 2.674 32.069 15.212 1.00 0.00 WAT +ATOM 50536 H2 TIP3 14742 1.576 32.409 14.263 1.00 0.00 WAT +ATOM 50537 OH2 TIP3 14743 -4.387 26.389 14.635 1.00 0.00 WAT +ATOM 50538 H1 TIP3 14743 -3.434 26.561 14.795 1.00 0.00 WAT +ATOM 50539 H2 TIP3 14743 -4.354 25.594 14.067 1.00 0.00 WAT +ATOM 50540 OH2 TIP3 14744 -5.399 31.574 19.388 1.00 0.00 WAT +ATOM 50541 H1 TIP3 14744 -6.097 31.183 18.826 1.00 0.00 WAT +ATOM 50542 H2 TIP3 14744 -5.280 30.874 20.062 1.00 0.00 WAT +ATOM 50543 OH2 TIP3 14745 -4.997 29.587 21.366 1.00 0.00 WAT +ATOM 50544 H1 TIP3 14745 -5.279 28.705 21.662 1.00 0.00 WAT +ATOM 50545 H2 TIP3 14745 -4.628 29.918 22.198 1.00 0.00 WAT +ATOM 50546 OH2 TIP3 14746 12.552 30.912 24.379 1.00 0.00 WAT +ATOM 50547 H1 TIP3 14746 12.729 30.800 25.325 1.00 0.00 WAT +ATOM 50548 H2 TIP3 14746 13.433 31.116 24.037 1.00 0.00 WAT +ATOM 50549 OH2 TIP3 14747 12.456 30.295 27.251 1.00 0.00 WAT +ATOM 50550 H1 TIP3 14747 11.934 29.548 26.899 1.00 0.00 WAT +ATOM 50551 H2 TIP3 14747 13.019 29.820 27.882 1.00 0.00 WAT +ATOM 50552 OH2 TIP3 14748 10.453 25.728 31.530 1.00 0.00 WAT +ATOM 50553 H1 TIP3 14748 9.572 25.786 31.937 1.00 0.00 WAT +ATOM 50554 H2 TIP3 14748 10.903 26.523 31.859 1.00 0.00 WAT +ATOM 50555 OH2 TIP3 14749 11.852 24.633 17.281 1.00 0.00 WAT +ATOM 50556 H1 TIP3 14749 12.763 24.939 17.445 1.00 0.00 WAT +ATOM 50557 H2 TIP3 14749 11.763 23.983 18.004 1.00 0.00 WAT +ATOM 50558 OH2 TIP3 14750 12.286 22.617 19.252 1.00 0.00 WAT +ATOM 50559 H1 TIP3 14750 11.640 22.021 19.677 1.00 0.00 WAT +ATOM 50560 H2 TIP3 14750 12.998 22.690 19.920 1.00 0.00 WAT +ATOM 50561 OH2 TIP3 14751 12.033 25.084 24.225 1.00 0.00 WAT +ATOM 50562 H1 TIP3 14751 12.651 24.571 23.679 1.00 0.00 WAT +ATOM 50563 H2 TIP3 14751 12.188 25.990 23.911 1.00 0.00 WAT +ATOM 50564 OH2 TIP3 14752 10.762 28.028 26.458 1.00 0.00 WAT +ATOM 50565 H1 TIP3 14752 10.019 28.381 26.977 1.00 0.00 WAT +ATOM 50566 H2 TIP3 14752 10.304 27.629 25.691 1.00 0.00 WAT +ATOM 50567 OH2 TIP3 14753 12.572 22.023 15.825 1.00 0.00 WAT +ATOM 50568 H1 TIP3 14753 12.064 22.305 15.040 1.00 0.00 WAT +ATOM 50569 H2 TIP3 14753 12.434 22.776 16.420 1.00 0.00 WAT +ATOM 50570 OH2 TIP3 14754 10.816 19.542 14.051 1.00 0.00 WAT +ATOM 50571 H1 TIP3 14754 11.131 20.123 13.344 1.00 0.00 WAT +ATOM 50572 H2 TIP3 14754 10.597 18.725 13.566 1.00 0.00 WAT +ATOM 50573 OH2 TIP3 14755 10.231 20.716 20.061 1.00 0.00 WAT +ATOM 50574 H1 TIP3 14755 10.181 19.759 19.904 1.00 0.00 WAT +ATOM 50575 H2 TIP3 14755 9.858 20.800 20.961 1.00 0.00 WAT +ATOM 50576 OH2 TIP3 14756 -4.909 22.909 23.761 1.00 0.00 WAT +ATOM 50577 H1 TIP3 14756 -4.666 22.970 22.819 1.00 0.00 WAT +ATOM 50578 H2 TIP3 14756 -4.033 22.708 24.152 1.00 0.00 WAT +ATOM 50579 OH2 TIP3 14757 10.847 22.650 29.219 1.00 0.00 WAT +ATOM 50580 H1 TIP3 14757 11.576 22.018 29.362 1.00 0.00 WAT +ATOM 50581 H2 TIP3 14757 11.319 23.468 29.018 1.00 0.00 WAT +ATOM 50582 OH2 TIP3 14758 12.394 20.741 30.459 1.00 0.00 WAT +ATOM 50583 H1 TIP3 14758 11.611 20.207 30.206 1.00 0.00 WAT +ATOM 50584 H2 TIP3 14758 13.107 20.076 30.405 1.00 0.00 WAT +ATOM 50585 OH2 TIP3 14759 10.366 16.851 13.164 1.00 0.00 WAT +ATOM 50586 H1 TIP3 14759 10.881 16.414 13.865 1.00 0.00 WAT +ATOM 50587 H2 TIP3 14759 9.535 16.355 13.158 1.00 0.00 WAT +ATOM 50588 OH2 TIP3 14760 10.103 18.208 18.246 1.00 0.00 WAT +ATOM 50589 H1 TIP3 14760 10.341 17.256 18.295 1.00 0.00 WAT +ATOM 50590 H2 TIP3 14760 10.913 18.565 17.841 1.00 0.00 WAT +ATOM 50591 OH2 TIP3 14761 10.348 18.836 23.678 1.00 0.00 WAT +ATOM 50592 H1 TIP3 14761 11.323 18.923 23.655 1.00 0.00 WAT +ATOM 50593 H2 TIP3 14761 10.203 18.833 24.640 1.00 0.00 WAT +ATOM 50594 OH2 TIP3 14762 10.513 19.514 26.508 1.00 0.00 WAT +ATOM 50595 H1 TIP3 14762 9.656 19.900 26.767 1.00 0.00 WAT +ATOM 50596 H2 TIP3 14762 11.035 20.307 26.285 1.00 0.00 WAT +ATOM 50597 OH2 TIP3 14763 13.079 13.676 31.796 1.00 0.00 WAT +ATOM 50598 H1 TIP3 14763 13.481 12.977 31.246 1.00 0.00 WAT +ATOM 50599 H2 TIP3 14763 13.100 14.444 31.193 1.00 0.00 WAT +ATOM 50600 OH2 TIP3 14764 10.594 15.423 18.215 1.00 0.00 WAT +ATOM 50601 H1 TIP3 14764 10.676 15.065 19.117 1.00 0.00 WAT +ATOM 50602 H2 TIP3 14764 9.840 14.902 17.871 1.00 0.00 WAT +ATOM 50603 OH2 TIP3 14765 -4.256 16.601 23.059 1.00 0.00 WAT +ATOM 50604 H1 TIP3 14765 -3.783 15.749 23.005 1.00 0.00 WAT +ATOM 50605 H2 TIP3 14765 -3.521 17.202 23.287 1.00 0.00 WAT +ATOM 50606 OH2 TIP3 14766 -5.652 19.260 24.119 1.00 0.00 WAT +ATOM 50607 H1 TIP3 14766 -5.111 19.182 23.314 1.00 0.00 WAT +ATOM 50608 H2 TIP3 14766 -5.306 20.088 24.477 1.00 0.00 WAT +ATOM 50609 OH2 TIP3 14767 12.444 15.723 30.035 1.00 0.00 WAT +ATOM 50610 H1 TIP3 14767 11.562 16.136 30.078 1.00 0.00 WAT +ATOM 50611 H2 TIP3 14767 12.326 15.165 29.243 1.00 0.00 WAT +ATOM 50612 OH2 TIP3 14768 12.522 15.993 14.953 1.00 0.00 WAT +ATOM 50613 H1 TIP3 14768 12.809 15.175 14.518 1.00 0.00 WAT +ATOM 50614 H2 TIP3 14768 13.363 16.475 15.022 1.00 0.00 WAT +ATOM 50615 OH2 TIP3 14769 -5.167 15.672 18.174 1.00 0.00 WAT +ATOM 50616 H1 TIP3 14769 -6.062 15.525 17.829 1.00 0.00 WAT +ATOM 50617 H2 TIP3 14769 -4.693 15.996 17.385 1.00 0.00 WAT +ATOM 50618 OH2 TIP3 14770 9.436 30.942 20.178 1.00 0.00 WAT +ATOM 50619 H1 TIP3 14770 9.887 30.649 19.367 1.00 0.00 WAT +ATOM 50620 H2 TIP3 14770 10.178 31.244 20.713 1.00 0.00 WAT +ATOM 50621 OH2 TIP3 14771 -5.163 14.723 26.358 1.00 0.00 WAT +ATOM 50622 H1 TIP3 14771 -5.765 14.038 26.666 1.00 0.00 WAT +ATOM 50623 H2 TIP3 14771 -5.637 15.067 25.573 1.00 0.00 WAT +ATOM 50624 OH2 TIP3 14772 -3.153 27.615 30.901 1.00 0.00 WAT +ATOM 50625 H1 TIP3 14772 -3.878 27.571 30.260 1.00 0.00 WAT +ATOM 50626 H2 TIP3 14772 -3.617 27.566 31.747 1.00 0.00 WAT +ATOM 50627 OH2 TIP3 14773 -0.322 28.592 26.574 1.00 0.00 WAT +ATOM 50628 H1 TIP3 14773 -0.614 29.447 26.216 1.00 0.00 WAT +ATOM 50629 H2 TIP3 14773 0.639 28.666 26.405 1.00 0.00 WAT +ATOM 50630 OH2 TIP3 14774 4.185 29.910 29.592 1.00 0.00 WAT +ATOM 50631 H1 TIP3 14774 4.340 29.719 30.531 1.00 0.00 WAT +ATOM 50632 H2 TIP3 14774 5.028 30.337 29.337 1.00 0.00 WAT +ATOM 50633 OH2 TIP3 14775 6.488 31.364 28.816 1.00 0.00 WAT +ATOM 50634 H1 TIP3 14775 7.168 30.711 28.588 1.00 0.00 WAT +ATOM 50635 H2 TIP3 14775 6.790 31.651 29.700 1.00 0.00 WAT +ATOM 50636 OH2 TIP3 14776 11.326 13.953 28.012 1.00 0.00 WAT +ATOM 50637 H1 TIP3 14776 10.510 14.136 27.513 1.00 0.00 WAT +ATOM 50638 H2 TIP3 14776 11.537 13.051 27.691 1.00 0.00 WAT +ATOM 50639 OH2 TIP3 14777 -2.936 31.550 26.904 1.00 0.00 WAT +ATOM 50640 H1 TIP3 14777 -3.537 32.176 26.463 1.00 0.00 WAT +ATOM 50641 H2 TIP3 14777 -3.277 31.579 27.806 1.00 0.00 WAT +ATOM 50642 OH2 TIP3 14778 -0.442 31.324 25.467 1.00 0.00 WAT +ATOM 50643 H1 TIP3 14778 -1.302 31.494 25.899 1.00 0.00 WAT +ATOM 50644 H2 TIP3 14778 -0.423 32.001 24.769 1.00 0.00 WAT +ATOM 50645 OH2 TIP3 14779 4.294 31.306 25.018 1.00 0.00 WAT +ATOM 50646 H1 TIP3 14779 3.920 31.753 24.239 1.00 0.00 WAT +ATOM 50647 H2 TIP3 14779 4.383 32.046 25.647 1.00 0.00 WAT +ATOM 50648 OH2 TIP3 14780 6.635 30.033 25.943 1.00 0.00 WAT +ATOM 50649 H1 TIP3 14780 5.790 30.379 25.599 1.00 0.00 WAT +ATOM 50650 H2 TIP3 14780 7.195 30.821 25.916 1.00 0.00 WAT +ATOM 50651 OH2 TIP3 14781 9.170 31.761 26.131 1.00 0.00 WAT +ATOM 50652 H1 TIP3 14781 9.126 32.706 25.892 1.00 0.00 WAT +ATOM 50653 H2 TIP3 14781 9.447 31.373 25.283 1.00 0.00 WAT +ATOM 50654 OH2 TIP3 14782 -3.360 30.340 23.854 1.00 0.00 WAT +ATOM 50655 H1 TIP3 14782 -3.376 29.841 24.700 1.00 0.00 WAT +ATOM 50656 H2 TIP3 14782 -2.608 29.899 23.406 1.00 0.00 WAT +ATOM 50657 OH2 TIP3 14783 -1.348 29.104 22.307 1.00 0.00 WAT +ATOM 50658 H1 TIP3 14783 -1.495 28.165 22.544 1.00 0.00 WAT +ATOM 50659 H2 TIP3 14783 -0.426 29.238 22.599 1.00 0.00 WAT +ATOM 50660 OH2 TIP3 14784 1.419 29.558 23.177 1.00 0.00 WAT +ATOM 50661 H1 TIP3 14784 1.612 28.632 22.944 1.00 0.00 WAT +ATOM 50662 H2 TIP3 14784 1.491 29.512 24.144 1.00 0.00 WAT +ATOM 50663 OH2 TIP3 14785 4.731 15.455 22.464 1.00 0.00 WAT +ATOM 50664 H1 TIP3 14785 4.052 14.771 22.629 1.00 0.00 WAT +ATOM 50665 H2 TIP3 14785 5.340 14.983 21.875 1.00 0.00 WAT +ATOM 50666 OH2 TIP3 14786 9.696 13.480 22.941 1.00 0.00 WAT +ATOM 50667 H1 TIP3 14786 10.457 13.897 22.501 1.00 0.00 WAT +ATOM 50668 H2 TIP3 14786 8.951 13.751 22.378 1.00 0.00 WAT +ATOM 50669 OH2 TIP3 14787 11.783 14.572 20.848 1.00 0.00 WAT +ATOM 50670 H1 TIP3 14787 12.448 14.106 20.303 1.00 0.00 WAT +ATOM 50671 H2 TIP3 14787 12.130 15.483 20.868 1.00 0.00 WAT +ATOM 50672 OH2 TIP3 14788 -2.942 13.943 20.056 1.00 0.00 WAT +ATOM 50673 H1 TIP3 14788 -3.769 13.922 19.537 1.00 0.00 WAT +ATOM 50674 H2 TIP3 14788 -2.554 13.081 19.812 1.00 0.00 WAT +ATOM 50675 OH2 TIP3 14789 1.555 14.021 19.917 1.00 0.00 WAT +ATOM 50676 H1 TIP3 14789 2.484 14.258 19.755 1.00 0.00 WAT +ATOM 50677 H2 TIP3 14789 1.570 13.867 20.869 1.00 0.00 WAT +ATOM 50678 OH2 TIP3 14790 7.181 14.012 21.339 1.00 0.00 WAT +ATOM 50679 H1 TIP3 14790 7.416 13.844 20.416 1.00 0.00 WAT +ATOM 50680 H2 TIP3 14790 6.770 13.163 21.594 1.00 0.00 WAT +ATOM 50681 OH2 TIP3 14791 8.295 13.949 17.222 1.00 0.00 WAT +ATOM 50682 H1 TIP3 14791 7.482 14.467 17.090 1.00 0.00 WAT +ATOM 50683 H2 TIP3 14791 7.926 13.071 17.442 1.00 0.00 WAT +ATOM 50684 OH2 TIP3 14792 -3.908 29.608 17.089 1.00 0.00 WAT +ATOM 50685 H1 TIP3 14792 -4.542 29.466 16.370 1.00 0.00 WAT +ATOM 50686 H2 TIP3 14792 -3.928 30.573 17.150 1.00 0.00 WAT +ATOM 50687 OH2 TIP3 14793 -2.392 15.741 14.138 1.00 0.00 WAT +ATOM 50688 H1 TIP3 14793 -2.033 14.892 13.831 1.00 0.00 WAT +ATOM 50689 H2 TIP3 14793 -1.931 15.825 14.990 1.00 0.00 WAT +ATOM 50690 OH2 TIP3 14794 2.699 15.626 16.964 1.00 0.00 WAT +ATOM 50691 H1 TIP3 14794 3.048 15.050 17.661 1.00 0.00 WAT +ATOM 50692 H2 TIP3 14794 2.909 16.494 17.342 1.00 0.00 WAT +ATOM 50693 OH2 TIP3 14795 4.765 31.444 15.194 1.00 0.00 WAT +ATOM 50694 H1 TIP3 14795 5.739 31.441 15.150 1.00 0.00 WAT +ATOM 50695 H2 TIP3 14795 4.562 30.776 14.518 1.00 0.00 WAT +ATOM 50696 OH2 TIP3 14796 11.251 30.465 17.783 1.00 0.00 WAT +ATOM 50697 H1 TIP3 14796 11.037 29.609 17.355 1.00 0.00 WAT +ATOM 50698 H2 TIP3 14796 11.247 31.061 17.018 1.00 0.00 WAT +ATOM 50699 OH2 TIP3 14797 -3.156 14.339 29.530 1.00 0.00 WAT +ATOM 50700 H1 TIP3 14797 -3.451 13.494 29.915 1.00 0.00 WAT +ATOM 50701 H2 TIP3 14797 -2.222 14.327 29.817 1.00 0.00 WAT +ATOM 50702 OH2 TIP3 14798 -0.852 13.758 31.223 1.00 0.00 WAT +ATOM 50703 H1 TIP3 14798 0.109 13.741 31.043 1.00 0.00 WAT +ATOM 50704 H2 TIP3 14798 -0.967 12.900 31.660 1.00 0.00 WAT +ATOM 50705 OH2 TIP3 14799 -2.475 30.558 13.871 1.00 0.00 WAT +ATOM 50706 H1 TIP3 14799 -2.709 30.816 14.774 1.00 0.00 WAT +ATOM 50707 H2 TIP3 14799 -1.705 29.980 14.011 1.00 0.00 WAT +ATOM 50708 OH2 TIP3 14800 7.395 12.891 31.475 1.00 0.00 WAT +ATOM 50709 H1 TIP3 14800 7.461 12.489 32.361 1.00 0.00 WAT +ATOM 50710 H2 TIP3 14800 8.325 12.869 31.183 1.00 0.00 WAT +ATOM 50711 OH2 TIP3 14801 10.774 29.234 30.160 1.00 0.00 WAT +ATOM 50712 H1 TIP3 14801 10.040 29.023 29.554 1.00 0.00 WAT +ATOM 50713 H2 TIP3 14801 10.580 30.169 30.361 1.00 0.00 WAT +ATOM 50714 OH2 TIP3 14802 24.997 22.908 20.253 1.00 0.00 WAT +ATOM 50715 H1 TIP3 14802 24.951 23.862 20.425 1.00 0.00 WAT +ATOM 50716 H2 TIP3 14802 24.190 22.768 19.737 1.00 0.00 WAT +ATOM 50717 OH2 TIP3 14803 23.947 22.286 23.367 1.00 0.00 WAT +ATOM 50718 H1 TIP3 14803 23.666 21.909 24.215 1.00 0.00 WAT +ATOM 50719 H2 TIP3 14803 23.526 21.685 22.735 1.00 0.00 WAT +ATOM 50720 OH2 TIP3 14804 16.311 21.962 25.038 1.00 0.00 WAT +ATOM 50721 H1 TIP3 14804 16.307 21.217 25.667 1.00 0.00 WAT +ATOM 50722 H2 TIP3 14804 17.077 22.463 25.362 1.00 0.00 WAT +ATOM 50723 OH2 TIP3 14805 27.524 25.081 21.689 1.00 0.00 WAT +ATOM 50724 H1 TIP3 14805 27.108 24.374 22.202 1.00 0.00 WAT +ATOM 50725 H2 TIP3 14805 27.754 25.708 22.387 1.00 0.00 WAT +ATOM 50726 OH2 TIP3 14806 16.966 26.568 23.557 1.00 0.00 WAT +ATOM 50727 H1 TIP3 14806 16.721 25.646 23.328 1.00 0.00 WAT +ATOM 50728 H2 TIP3 14806 17.861 26.408 23.897 1.00 0.00 WAT +ATOM 50729 OH2 TIP3 14807 13.948 19.973 18.913 1.00 0.00 WAT +ATOM 50730 H1 TIP3 14807 13.531 20.843 19.002 1.00 0.00 WAT +ATOM 50731 H2 TIP3 14807 13.235 19.453 18.522 1.00 0.00 WAT +ATOM 50732 OH2 TIP3 14808 14.731 22.421 20.758 1.00 0.00 WAT +ATOM 50733 H1 TIP3 14808 14.884 21.601 21.267 1.00 0.00 WAT +ATOM 50734 H2 TIP3 14808 15.588 22.539 20.327 1.00 0.00 WAT +ATOM 50735 OH2 TIP3 14809 24.596 30.459 22.257 1.00 0.00 WAT +ATOM 50736 H1 TIP3 14809 25.158 29.728 21.934 1.00 0.00 WAT +ATOM 50737 H2 TIP3 14809 24.266 30.099 23.090 1.00 0.00 WAT +ATOM 50738 OH2 TIP3 14810 22.319 24.920 23.721 1.00 0.00 WAT +ATOM 50739 H1 TIP3 14810 22.662 24.115 23.311 1.00 0.00 WAT +ATOM 50740 H2 TIP3 14810 22.870 24.956 24.516 1.00 0.00 WAT +ATOM 50741 OH2 TIP3 14811 31.001 16.340 24.607 1.00 0.00 WAT +ATOM 50742 H1 TIP3 14811 31.214 17.000 25.289 1.00 0.00 WAT +ATOM 50743 H2 TIP3 14811 31.558 16.656 23.873 1.00 0.00 WAT +ATOM 50744 OH2 TIP3 14812 25.611 19.203 24.479 1.00 0.00 WAT +ATOM 50745 H1 TIP3 14812 25.700 18.238 24.501 1.00 0.00 WAT +ATOM 50746 H2 TIP3 14812 25.492 19.372 23.532 1.00 0.00 WAT +ATOM 50747 OH2 TIP3 14813 18.600 17.194 21.522 1.00 0.00 WAT +ATOM 50748 H1 TIP3 14813 18.704 18.056 21.073 1.00 0.00 WAT +ATOM 50749 H2 TIP3 14813 18.227 16.669 20.785 1.00 0.00 WAT +ATOM 50750 OH2 TIP3 14814 26.433 17.345 19.839 1.00 0.00 WAT +ATOM 50751 H1 TIP3 14814 27.034 16.939 20.498 1.00 0.00 WAT +ATOM 50752 H2 TIP3 14814 27.063 17.823 19.280 1.00 0.00 WAT +ATOM 50753 OH2 TIP3 14815 15.264 19.935 22.030 1.00 0.00 WAT +ATOM 50754 H1 TIP3 14815 15.890 19.459 22.599 1.00 0.00 WAT +ATOM 50755 H2 TIP3 14815 15.344 19.441 21.195 1.00 0.00 WAT +ATOM 50756 OH2 TIP3 14816 20.632 21.323 21.525 1.00 0.00 WAT +ATOM 50757 H1 TIP3 14816 21.310 20.757 21.941 1.00 0.00 WAT +ATOM 50758 H2 TIP3 14816 20.102 20.664 21.041 1.00 0.00 WAT +ATOM 50759 OH2 TIP3 14817 31.708 17.745 27.066 1.00 0.00 WAT +ATOM 50760 H1 TIP3 14817 31.126 18.467 26.768 1.00 0.00 WAT +ATOM 50761 H2 TIP3 14817 31.489 17.722 28.008 1.00 0.00 WAT +ATOM 50762 OH2 TIP3 14818 17.388 15.986 25.680 1.00 0.00 WAT +ATOM 50763 H1 TIP3 14818 16.982 16.485 24.955 1.00 0.00 WAT +ATOM 50764 H2 TIP3 14818 16.722 16.118 26.384 1.00 0.00 WAT +ATOM 50765 OH2 TIP3 14819 24.927 25.804 19.052 1.00 0.00 WAT +ATOM 50766 H1 TIP3 14819 24.518 25.495 18.240 1.00 0.00 WAT +ATOM 50767 H2 TIP3 14819 24.414 26.607 19.256 1.00 0.00 WAT +ATOM 50768 OH2 TIP3 14820 28.302 16.564 21.897 1.00 0.00 WAT +ATOM 50769 H1 TIP3 14820 27.789 16.074 22.553 1.00 0.00 WAT +ATOM 50770 H2 TIP3 14820 28.764 17.217 22.453 1.00 0.00 WAT +ATOM 50771 OH2 TIP3 14821 16.978 18.026 23.627 1.00 0.00 WAT +ATOM 50772 H1 TIP3 14821 17.609 18.621 24.090 1.00 0.00 WAT +ATOM 50773 H2 TIP3 14821 17.560 17.673 22.919 1.00 0.00 WAT +ATOM 50774 OH2 TIP3 14822 18.408 25.532 26.198 1.00 0.00 WAT +ATOM 50775 H1 TIP3 14822 18.438 26.492 26.123 1.00 0.00 WAT +ATOM 50776 H2 TIP3 14822 17.670 25.382 26.799 1.00 0.00 WAT +ATOM 50777 OH2 TIP3 14823 14.614 25.454 17.412 1.00 0.00 WAT +ATOM 50778 H1 TIP3 14823 14.412 25.957 16.606 1.00 0.00 WAT +ATOM 50779 H2 TIP3 14823 14.781 26.149 18.082 1.00 0.00 WAT +ATOM 50780 OH2 TIP3 14824 28.084 26.909 24.206 1.00 0.00 WAT +ATOM 50781 H1 TIP3 14824 27.107 26.977 24.251 1.00 0.00 WAT +ATOM 50782 H2 TIP3 14824 28.298 27.773 23.812 1.00 0.00 WAT +ATOM 50783 OH2 TIP3 14825 28.404 15.652 25.735 1.00 0.00 WAT +ATOM 50784 H1 TIP3 14825 27.634 16.102 25.339 1.00 0.00 WAT +ATOM 50785 H2 TIP3 14825 29.114 15.900 25.113 1.00 0.00 WAT +ATOM 50786 OH2 TIP3 14826 21.607 13.384 22.962 1.00 0.00 WAT +ATOM 50787 H1 TIP3 14826 21.264 12.479 22.820 1.00 0.00 WAT +ATOM 50788 H2 TIP3 14826 20.785 13.847 23.230 1.00 0.00 WAT +ATOM 50789 OH2 TIP3 14827 26.389 28.818 20.797 1.00 0.00 WAT +ATOM 50790 H1 TIP3 14827 26.854 28.031 20.453 1.00 0.00 WAT +ATOM 50791 H2 TIP3 14827 27.032 29.525 20.611 1.00 0.00 WAT +ATOM 50792 OH2 TIP3 14828 27.837 26.680 19.358 1.00 0.00 WAT +ATOM 50793 H1 TIP3 14828 27.265 26.247 18.707 1.00 0.00 WAT +ATOM 50794 H2 TIP3 14828 27.767 26.054 20.105 1.00 0.00 WAT +ATOM 50795 OH2 TIP3 14829 29.409 25.546 27.862 1.00 0.00 WAT +ATOM 50796 H1 TIP3 14829 29.240 24.865 27.184 1.00 0.00 WAT +ATOM 50797 H2 TIP3 14829 29.483 26.353 27.319 1.00 0.00 WAT +ATOM 50798 OH2 TIP3 14830 23.612 22.419 17.566 1.00 0.00 WAT +ATOM 50799 H1 TIP3 14830 22.941 23.023 17.194 1.00 0.00 WAT +ATOM 50800 H2 TIP3 14830 24.314 22.465 16.896 1.00 0.00 WAT +ATOM 50801 OH2 TIP3 14831 23.897 20.607 14.620 1.00 0.00 WAT +ATOM 50802 H1 TIP3 14831 24.603 20.922 15.213 1.00 0.00 WAT +ATOM 50803 H2 TIP3 14831 24.403 20.036 14.023 1.00 0.00 WAT +ATOM 50804 OH2 TIP3 14832 31.122 21.697 25.798 1.00 0.00 WAT +ATOM 50805 H1 TIP3 14832 30.384 22.335 25.879 1.00 0.00 WAT +ATOM 50806 H2 TIP3 14832 31.587 22.053 25.016 1.00 0.00 WAT +ATOM 50807 OH2 TIP3 14833 27.146 22.424 18.622 1.00 0.00 WAT +ATOM 50808 H1 TIP3 14833 26.443 22.649 19.277 1.00 0.00 WAT +ATOM 50809 H2 TIP3 14833 27.722 21.856 19.164 1.00 0.00 WAT +ATOM 50810 OH2 TIP3 14834 26.973 20.985 27.443 1.00 0.00 WAT +ATOM 50811 H1 TIP3 14834 26.979 21.830 27.921 1.00 0.00 WAT +ATOM 50812 H2 TIP3 14834 26.207 21.172 26.854 1.00 0.00 WAT +ATOM 50813 OH2 TIP3 14835 18.733 23.210 20.385 1.00 0.00 WAT +ATOM 50814 H1 TIP3 14835 18.425 22.740 19.587 1.00 0.00 WAT +ATOM 50815 H2 TIP3 14835 19.353 22.569 20.776 1.00 0.00 WAT +ATOM 50816 OH2 TIP3 14836 20.140 26.699 23.097 1.00 0.00 WAT +ATOM 50817 H1 TIP3 14836 19.985 26.163 22.310 1.00 0.00 WAT +ATOM 50818 H2 TIP3 14836 20.828 26.161 23.542 1.00 0.00 WAT +ATOM 50819 OH2 TIP3 14837 19.339 22.201 24.019 1.00 0.00 WAT +ATOM 50820 H1 TIP3 14837 19.974 22.222 23.285 1.00 0.00 WAT +ATOM 50821 H2 TIP3 14837 19.793 22.720 24.710 1.00 0.00 WAT +ATOM 50822 OH2 TIP3 14838 25.332 27.514 24.487 1.00 0.00 WAT +ATOM 50823 H1 TIP3 14838 25.277 28.138 25.228 1.00 0.00 WAT +ATOM 50824 H2 TIP3 14838 25.011 26.679 24.879 1.00 0.00 WAT +ATOM 50825 OH2 TIP3 14839 20.217 26.416 28.799 1.00 0.00 WAT +ATOM 50826 H1 TIP3 14839 19.566 27.038 29.169 1.00 0.00 WAT +ATOM 50827 H2 TIP3 14839 19.703 25.958 28.109 1.00 0.00 WAT +ATOM 50828 OH2 TIP3 14840 26.087 21.865 16.088 1.00 0.00 WAT +ATOM 50829 H1 TIP3 14840 26.546 22.150 16.907 1.00 0.00 WAT +ATOM 50830 H2 TIP3 14840 26.580 22.386 15.407 1.00 0.00 WAT +ATOM 50831 OH2 TIP3 14841 17.033 22.675 27.874 1.00 0.00 WAT +ATOM 50832 H1 TIP3 14841 17.145 23.261 28.640 1.00 0.00 WAT +ATOM 50833 H2 TIP3 14841 16.069 22.580 27.819 1.00 0.00 WAT +ATOM 50834 OH2 TIP3 14842 23.584 28.485 19.629 1.00 0.00 WAT +ATOM 50835 H1 TIP3 14842 23.972 28.752 20.470 1.00 0.00 WAT +ATOM 50836 H2 TIP3 14842 23.037 29.247 19.386 1.00 0.00 WAT +ATOM 50837 OH2 TIP3 14843 18.216 28.554 29.522 1.00 0.00 WAT +ATOM 50838 H1 TIP3 14843 18.135 28.500 28.552 1.00 0.00 WAT +ATOM 50839 H2 TIP3 14843 17.355 28.215 29.833 1.00 0.00 WAT +ATOM 50840 OH2 TIP3 14844 29.540 13.589 15.619 1.00 0.00 WAT +ATOM 50841 H1 TIP3 14844 28.640 13.694 15.979 1.00 0.00 WAT +ATOM 50842 H2 TIP3 14844 29.867 14.504 15.640 1.00 0.00 WAT +ATOM 50843 OH2 TIP3 14845 17.646 21.929 17.953 1.00 0.00 WAT +ATOM 50844 H1 TIP3 14845 17.432 22.684 17.381 1.00 0.00 WAT +ATOM 50845 H2 TIP3 14845 16.990 21.275 17.677 1.00 0.00 WAT +ATOM 50846 OH2 TIP3 14846 30.900 27.745 14.115 1.00 0.00 WAT +ATOM 50847 H1 TIP3 14846 31.054 28.678 14.363 1.00 0.00 WAT +ATOM 50848 H2 TIP3 14846 31.764 27.340 14.325 1.00 0.00 WAT +ATOM 50849 OH2 TIP3 14847 13.678 24.622 26.685 1.00 0.00 WAT +ATOM 50850 H1 TIP3 14847 13.268 24.598 25.800 1.00 0.00 WAT +ATOM 50851 H2 TIP3 14847 13.859 23.677 26.850 1.00 0.00 WAT +ATOM 50852 OH2 TIP3 14848 13.773 27.570 23.591 1.00 0.00 WAT +ATOM 50853 H1 TIP3 14848 14.675 27.218 23.640 1.00 0.00 WAT +ATOM 50854 H2 TIP3 14848 13.738 28.113 24.391 1.00 0.00 WAT +ATOM 50855 OH2 TIP3 14849 32.085 28.180 29.365 1.00 0.00 WAT +ATOM 50856 H1 TIP3 14849 32.054 27.228 29.153 1.00 0.00 WAT +ATOM 50857 H2 TIP3 14849 31.188 28.322 29.702 1.00 0.00 WAT +ATOM 50858 OH2 TIP3 14850 22.746 27.476 28.075 1.00 0.00 WAT +ATOM 50859 H1 TIP3 14850 22.779 28.244 28.670 1.00 0.00 WAT +ATOM 50860 H2 TIP3 14850 21.899 27.059 28.340 1.00 0.00 WAT +ATOM 50861 OH2 TIP3 14851 23.066 31.200 18.148 1.00 0.00 WAT +ATOM 50862 H1 TIP3 14851 23.076 31.275 17.179 1.00 0.00 WAT +ATOM 50863 H2 TIP3 14851 23.140 32.121 18.441 1.00 0.00 WAT +ATOM 50864 OH2 TIP3 14852 16.877 30.337 19.788 1.00 0.00 WAT +ATOM 50865 H1 TIP3 14852 17.037 29.864 20.631 1.00 0.00 WAT +ATOM 50866 H2 TIP3 14852 16.070 29.901 19.480 1.00 0.00 WAT +ATOM 50867 OH2 TIP3 14853 26.383 30.611 15.324 1.00 0.00 WAT +ATOM 50868 H1 TIP3 14853 26.951 29.951 14.880 1.00 0.00 WAT +ATOM 50869 H2 TIP3 14853 26.321 30.233 16.225 1.00 0.00 WAT +ATOM 50870 OH2 TIP3 14854 25.770 30.044 18.144 1.00 0.00 WAT +ATOM 50871 H1 TIP3 14854 24.811 30.161 18.268 1.00 0.00 WAT +ATOM 50872 H2 TIP3 14854 25.916 29.294 18.746 1.00 0.00 WAT +ATOM 50873 OH2 TIP3 14855 28.958 19.518 29.771 1.00 0.00 WAT +ATOM 50874 H1 TIP3 14855 28.382 19.901 29.092 1.00 0.00 WAT +ATOM 50875 H2 TIP3 14855 28.959 18.577 29.514 1.00 0.00 WAT +ATOM 50876 OH2 TIP3 14856 16.015 26.193 27.883 1.00 0.00 WAT +ATOM 50877 H1 TIP3 14856 16.320 25.695 28.668 1.00 0.00 WAT +ATOM 50878 H2 TIP3 14856 15.298 25.636 27.541 1.00 0.00 WAT +ATOM 50879 OH2 TIP3 14857 19.125 14.614 23.646 1.00 0.00 WAT +ATOM 50880 H1 TIP3 14857 18.293 14.555 23.141 1.00 0.00 WAT +ATOM 50881 H2 TIP3 14857 18.910 15.357 24.231 1.00 0.00 WAT +ATOM 50882 OH2 TIP3 14858 23.474 14.181 27.315 1.00 0.00 WAT +ATOM 50883 H1 TIP3 14858 23.916 13.685 28.022 1.00 0.00 WAT +ATOM 50884 H2 TIP3 14858 22.535 13.929 27.417 1.00 0.00 WAT +ATOM 50885 OH2 TIP3 14859 26.670 18.008 27.886 1.00 0.00 WAT +ATOM 50886 H1 TIP3 14859 26.004 17.847 28.581 1.00 0.00 WAT +ATOM 50887 H2 TIP3 14859 26.518 18.941 27.653 1.00 0.00 WAT +ATOM 50888 OH2 TIP3 14860 27.640 22.953 14.098 1.00 0.00 WAT +ATOM 50889 H1 TIP3 14860 27.426 22.778 13.161 1.00 0.00 WAT +ATOM 50890 H2 TIP3 14860 28.578 23.200 14.032 1.00 0.00 WAT +ATOM 50891 OH2 TIP3 14861 23.271 16.691 14.589 1.00 0.00 WAT +ATOM 50892 H1 TIP3 14861 22.753 16.568 15.398 1.00 0.00 WAT +ATOM 50893 H2 TIP3 14861 22.842 16.041 14.005 1.00 0.00 WAT +ATOM 50894 OH2 TIP3 14862 18.927 19.486 25.012 1.00 0.00 WAT +ATOM 50895 H1 TIP3 14862 18.457 19.588 25.856 1.00 0.00 WAT +ATOM 50896 H2 TIP3 14862 19.058 20.423 24.751 1.00 0.00 WAT +ATOM 50897 OH2 TIP3 14863 18.897 19.495 19.970 1.00 0.00 WAT +ATOM 50898 H1 TIP3 14863 17.938 19.404 19.813 1.00 0.00 WAT +ATOM 50899 H2 TIP3 14863 19.239 19.296 19.077 1.00 0.00 WAT +ATOM 50900 OH2 TIP3 14864 24.491 20.050 18.753 1.00 0.00 WAT +ATOM 50901 H1 TIP3 14864 24.084 20.883 18.428 1.00 0.00 WAT +ATOM 50902 H2 TIP3 14864 25.171 19.901 18.075 1.00 0.00 WAT +ATOM 50903 OH2 TIP3 14865 23.730 20.265 30.126 1.00 0.00 WAT +ATOM 50904 H1 TIP3 14865 23.178 19.531 30.464 1.00 0.00 WAT +ATOM 50905 H2 TIP3 14865 24.591 20.083 30.546 1.00 0.00 WAT +ATOM 50906 OH2 TIP3 14866 25.358 19.444 21.532 1.00 0.00 WAT +ATOM 50907 H1 TIP3 14866 25.053 20.040 20.819 1.00 0.00 WAT +ATOM 50908 H2 TIP3 14866 25.550 18.645 21.002 1.00 0.00 WAT +ATOM 50909 OH2 TIP3 14867 16.228 19.593 26.935 1.00 0.00 WAT +ATOM 50910 H1 TIP3 14867 16.632 19.886 27.760 1.00 0.00 WAT +ATOM 50911 H2 TIP3 14867 15.954 18.686 27.154 1.00 0.00 WAT +ATOM 50912 OH2 TIP3 14868 19.700 17.209 13.515 1.00 0.00 WAT +ATOM 50913 H1 TIP3 14868 19.340 16.817 14.336 1.00 0.00 WAT +ATOM 50914 H2 TIP3 14868 18.911 17.279 12.967 1.00 0.00 WAT +ATOM 50915 OH2 TIP3 14869 13.153 17.109 20.569 1.00 0.00 WAT +ATOM 50916 H1 TIP3 14869 13.764 17.000 21.320 1.00 0.00 WAT +ATOM 50917 H2 TIP3 14869 13.605 16.666 19.830 1.00 0.00 WAT +ATOM 50918 OH2 TIP3 14870 14.773 17.491 16.287 1.00 0.00 WAT +ATOM 50919 H1 TIP3 14870 15.306 17.975 15.628 1.00 0.00 WAT +ATOM 50920 H2 TIP3 14870 14.068 18.132 16.486 1.00 0.00 WAT +ATOM 50921 OH2 TIP3 14871 24.557 21.196 26.145 1.00 0.00 WAT +ATOM 50922 H1 TIP3 14871 24.789 20.440 25.572 1.00 0.00 WAT +ATOM 50923 H2 TIP3 14871 23.802 20.857 26.657 1.00 0.00 WAT +ATOM 50924 OH2 TIP3 14872 21.662 17.038 20.994 1.00 0.00 WAT +ATOM 50925 H1 TIP3 14872 20.707 17.043 21.187 1.00 0.00 WAT +ATOM 50926 H2 TIP3 14872 22.035 16.946 21.885 1.00 0.00 WAT +ATOM 50927 OH2 TIP3 14873 16.242 18.327 19.665 1.00 0.00 WAT +ATOM 50928 H1 TIP3 14873 15.409 18.578 19.226 1.00 0.00 WAT +ATOM 50929 H2 TIP3 14873 16.502 17.513 19.193 1.00 0.00 WAT +ATOM 50930 OH2 TIP3 14874 19.875 18.641 17.355 1.00 0.00 WAT +ATOM 50931 H1 TIP3 14874 20.840 18.747 17.395 1.00 0.00 WAT +ATOM 50932 H2 TIP3 14874 19.602 19.241 16.639 1.00 0.00 WAT +ATOM 50933 OH2 TIP3 14875 26.066 16.182 24.006 1.00 0.00 WAT +ATOM 50934 H1 TIP3 14875 25.442 16.238 24.763 1.00 0.00 WAT +ATOM 50935 H2 TIP3 14875 25.440 15.896 23.314 1.00 0.00 WAT +ATOM 50936 OH2 TIP3 14876 18.314 19.893 15.130 1.00 0.00 WAT +ATOM 50937 H1 TIP3 14876 17.733 19.583 14.419 1.00 0.00 WAT +ATOM 50938 H2 TIP3 14876 19.127 20.088 14.633 1.00 0.00 WAT +ATOM 50939 OH2 TIP3 14877 16.957 24.640 30.100 1.00 0.00 WAT +ATOM 50940 H1 TIP3 14877 17.642 24.703 30.798 1.00 0.00 WAT +ATOM 50941 H2 TIP3 14877 16.156 24.610 30.656 1.00 0.00 WAT +ATOM 50942 OH2 TIP3 14878 22.663 19.618 22.799 1.00 0.00 WAT +ATOM 50943 H1 TIP3 14878 23.425 19.204 22.369 1.00 0.00 WAT +ATOM 50944 H2 TIP3 14878 22.513 19.034 23.568 1.00 0.00 WAT +ATOM 50945 OH2 TIP3 14879 17.939 15.997 19.036 1.00 0.00 WAT +ATOM 50946 H1 TIP3 14879 17.378 15.208 19.134 1.00 0.00 WAT +ATOM 50947 H2 TIP3 14879 18.720 15.637 18.597 1.00 0.00 WAT +ATOM 50948 OH2 TIP3 14880 21.636 18.086 25.062 1.00 0.00 WAT +ATOM 50949 H1 TIP3 14880 20.868 18.680 25.023 1.00 0.00 WAT +ATOM 50950 H2 TIP3 14880 22.105 18.400 25.861 1.00 0.00 WAT +ATOM 50951 OH2 TIP3 14881 21.789 24.479 16.957 1.00 0.00 WAT +ATOM 50952 H1 TIP3 14881 21.031 23.962 16.608 1.00 0.00 WAT +ATOM 50953 H2 TIP3 14881 21.580 24.531 17.920 1.00 0.00 WAT +ATOM 50954 OH2 TIP3 14882 29.034 23.629 25.703 1.00 0.00 WAT +ATOM 50955 H1 TIP3 14882 29.496 24.181 25.037 1.00 0.00 WAT +ATOM 50956 H2 TIP3 14882 28.162 23.505 25.278 1.00 0.00 WAT +ATOM 50957 OH2 TIP3 14883 25.942 17.300 14.753 1.00 0.00 WAT +ATOM 50958 H1 TIP3 14883 24.960 17.278 14.697 1.00 0.00 WAT +ATOM 50959 H2 TIP3 14883 26.117 18.045 15.361 1.00 0.00 WAT +ATOM 50960 OH2 TIP3 14884 23.816 24.724 28.601 1.00 0.00 WAT +ATOM 50961 H1 TIP3 14884 23.217 24.045 28.946 1.00 0.00 WAT +ATOM 50962 H2 TIP3 14884 23.185 25.345 28.212 1.00 0.00 WAT +ATOM 50963 OH2 TIP3 14885 26.628 19.137 16.799 1.00 0.00 WAT +ATOM 50964 H1 TIP3 14885 27.514 18.981 17.176 1.00 0.00 WAT +ATOM 50965 H2 TIP3 14885 26.724 20.014 16.385 1.00 0.00 WAT +ATOM 50966 OH2 TIP3 14886 16.870 23.867 22.757 1.00 0.00 WAT +ATOM 50967 H1 TIP3 14886 17.499 23.773 22.022 1.00 0.00 WAT +ATOM 50968 H2 TIP3 14886 17.050 23.065 23.275 1.00 0.00 WAT +ATOM 50969 OH2 TIP3 14887 24.178 25.841 15.863 1.00 0.00 WAT +ATOM 50970 H1 TIP3 14887 23.935 26.691 16.282 1.00 0.00 WAT +ATOM 50971 H2 TIP3 14887 23.442 25.275 16.158 1.00 0.00 WAT +ATOM 50972 OH2 TIP3 14888 14.132 22.165 28.087 1.00 0.00 WAT +ATOM 50973 H1 TIP3 14888 14.352 21.681 28.908 1.00 0.00 WAT +ATOM 50974 H2 TIP3 14888 13.598 21.524 27.592 1.00 0.00 WAT +ATOM 50975 OH2 TIP3 14889 21.143 21.574 30.066 1.00 0.00 WAT +ATOM 50976 H1 TIP3 14889 20.810 21.662 29.146 1.00 0.00 WAT +ATOM 50977 H2 TIP3 14889 22.077 21.373 29.882 1.00 0.00 WAT +ATOM 50978 OH2 TIP3 14890 25.751 27.297 27.731 1.00 0.00 WAT +ATOM 50979 H1 TIP3 14890 24.806 27.108 27.592 1.00 0.00 WAT +ATOM 50980 H2 TIP3 14890 25.809 27.247 28.694 1.00 0.00 WAT +ATOM 50981 OH2 TIP3 14891 31.219 19.105 16.528 1.00 0.00 WAT +ATOM 50982 H1 TIP3 14891 30.658 18.930 15.745 1.00 0.00 WAT +ATOM 50983 H2 TIP3 14891 31.343 20.067 16.400 1.00 0.00 WAT +ATOM 50984 OH2 TIP3 14892 31.689 25.194 29.341 1.00 0.00 WAT +ATOM 50985 H1 TIP3 14892 30.752 25.376 29.106 1.00 0.00 WAT +ATOM 50986 H2 TIP3 14892 32.050 24.987 28.456 1.00 0.00 WAT +ATOM 50987 OH2 TIP3 14893 29.433 27.742 16.628 1.00 0.00 WAT +ATOM 50988 H1 TIP3 14893 29.186 26.973 17.165 1.00 0.00 WAT +ATOM 50989 H2 TIP3 14893 29.960 27.350 15.918 1.00 0.00 WAT +ATOM 50990 OH2 TIP3 14894 26.668 23.079 23.991 1.00 0.00 WAT +ATOM 50991 H1 TIP3 14894 25.728 22.899 23.782 1.00 0.00 WAT +ATOM 50992 H2 TIP3 14894 27.095 22.341 23.518 1.00 0.00 WAT +ATOM 50993 OH2 TIP3 14895 19.301 27.130 19.964 1.00 0.00 WAT +ATOM 50994 H1 TIP3 14895 19.722 28.002 19.931 1.00 0.00 WAT +ATOM 50995 H2 TIP3 14895 18.373 27.344 19.814 1.00 0.00 WAT +ATOM 50996 OH2 TIP3 14896 15.296 21.949 14.657 1.00 0.00 WAT +ATOM 50997 H1 TIP3 14896 15.874 22.625 15.056 1.00 0.00 WAT +ATOM 50998 H2 TIP3 14896 14.421 22.217 14.994 1.00 0.00 WAT +ATOM 50999 OH2 TIP3 14897 21.143 24.845 19.629 1.00 0.00 WAT +ATOM 51000 H1 TIP3 14897 20.818 25.743 19.809 1.00 0.00 WAT +ATOM 51001 H2 TIP3 14897 20.473 24.315 20.090 1.00 0.00 WAT +ATOM 51002 OH2 TIP3 14898 21.282 29.117 26.028 1.00 0.00 WAT +ATOM 51003 H1 TIP3 14898 21.879 29.830 25.751 1.00 0.00 WAT +ATOM 51004 H2 TIP3 14898 21.879 28.556 26.555 1.00 0.00 WAT +ATOM 51005 OH2 TIP3 14899 19.754 30.062 19.254 1.00 0.00 WAT +ATOM 51006 H1 TIP3 14899 18.796 30.189 19.345 1.00 0.00 WAT +ATOM 51007 H2 TIP3 14899 20.093 30.944 19.493 1.00 0.00 WAT +ATOM 51008 OH2 TIP3 14900 24.809 24.909 25.664 1.00 0.00 WAT +ATOM 51009 H1 TIP3 14900 24.385 24.512 26.440 1.00 0.00 WAT +ATOM 51010 H2 TIP3 14900 25.443 24.217 25.414 1.00 0.00 WAT +ATOM 51011 OH2 TIP3 14901 26.885 26.168 14.515 1.00 0.00 WAT +ATOM 51012 H1 TIP3 14901 27.296 25.691 15.260 1.00 0.00 WAT +ATOM 51013 H2 TIP3 14901 25.951 26.019 14.747 1.00 0.00 WAT +ATOM 51014 OH2 TIP3 14902 27.699 29.444 28.015 1.00 0.00 WAT +ATOM 51015 H1 TIP3 14902 26.955 28.892 27.682 1.00 0.00 WAT +ATOM 51016 H2 TIP3 14902 27.714 30.178 27.372 1.00 0.00 WAT +ATOM 51017 OH2 TIP3 14903 31.627 30.413 15.040 1.00 0.00 WAT +ATOM 51018 H1 TIP3 14903 32.316 31.059 14.810 1.00 0.00 WAT +ATOM 51019 H2 TIP3 14903 30.853 31.005 15.050 1.00 0.00 WAT +ATOM 51020 OH2 TIP3 14904 15.503 16.790 27.676 1.00 0.00 WAT +ATOM 51021 H1 TIP3 14904 14.599 17.047 27.407 1.00 0.00 WAT +ATOM 51022 H2 TIP3 14904 15.349 15.913 28.069 1.00 0.00 WAT +ATOM 51023 OH2 TIP3 14905 27.849 24.770 16.883 1.00 0.00 WAT +ATOM 51024 H1 TIP3 14905 27.563 24.055 17.478 1.00 0.00 WAT +ATOM 51025 H2 TIP3 14905 28.815 24.740 16.990 1.00 0.00 WAT +ATOM 51026 OH2 TIP3 14906 15.253 28.546 26.074 1.00 0.00 WAT +ATOM 51027 H1 TIP3 14906 15.588 27.643 26.200 1.00 0.00 WAT +ATOM 51028 H2 TIP3 14906 15.501 28.932 26.922 1.00 0.00 WAT +ATOM 51029 OH2 TIP3 14907 21.123 27.198 13.076 1.00 0.00 WAT +ATOM 51030 H1 TIP3 14907 21.412 26.400 12.597 1.00 0.00 WAT +ATOM 51031 H2 TIP3 14907 20.694 26.806 13.856 1.00 0.00 WAT +ATOM 51032 OH2 TIP3 14908 19.971 26.726 15.782 1.00 0.00 WAT +ATOM 51033 H1 TIP3 14908 20.454 26.183 16.423 1.00 0.00 WAT +ATOM 51034 H2 TIP3 14908 20.111 27.632 16.129 1.00 0.00 WAT +ATOM 51035 OH2 TIP3 14909 16.796 24.163 16.175 1.00 0.00 WAT +ATOM 51036 H1 TIP3 14909 16.074 24.535 16.719 1.00 0.00 WAT +ATOM 51037 H2 TIP3 14909 17.276 24.969 15.924 1.00 0.00 WAT +ATOM 51038 OH2 TIP3 14910 24.510 16.626 26.197 1.00 0.00 WAT +ATOM 51039 H1 TIP3 14910 25.033 16.932 26.950 1.00 0.00 WAT +ATOM 51040 H2 TIP3 14910 23.943 15.939 26.597 1.00 0.00 WAT +ATOM 51041 OH2 TIP3 14911 25.128 16.051 17.476 1.00 0.00 WAT +ATOM 51042 H1 TIP3 14911 25.257 16.590 16.680 1.00 0.00 WAT +ATOM 51043 H2 TIP3 14911 25.542 16.598 18.164 1.00 0.00 WAT +ATOM 51044 OH2 TIP3 14912 22.931 28.371 16.430 1.00 0.00 WAT +ATOM 51045 H1 TIP3 14912 22.093 28.835 16.593 1.00 0.00 WAT +ATOM 51046 H2 TIP3 14912 23.255 28.814 15.635 1.00 0.00 WAT +ATOM 51047 OH2 TIP3 14913 22.554 18.029 18.426 1.00 0.00 WAT +ATOM 51048 H1 TIP3 14913 23.275 18.678 18.565 1.00 0.00 WAT +ATOM 51049 H2 TIP3 14913 22.222 17.905 19.334 1.00 0.00 WAT +ATOM 51050 OH2 TIP3 14914 22.839 19.102 27.554 1.00 0.00 WAT +ATOM 51051 H1 TIP3 14914 22.910 19.622 28.373 1.00 0.00 WAT +ATOM 51052 H2 TIP3 14914 23.348 18.318 27.784 1.00 0.00 WAT +ATOM 51053 OH2 TIP3 14915 23.148 15.075 19.423 1.00 0.00 WAT +ATOM 51054 H1 TIP3 14915 22.869 15.817 19.994 1.00 0.00 WAT +ATOM 51055 H2 TIP3 14915 23.820 15.504 18.857 1.00 0.00 WAT +ATOM 51056 OH2 TIP3 14916 20.121 29.422 16.422 1.00 0.00 WAT +ATOM 51057 H1 TIP3 14916 20.049 30.240 15.887 1.00 0.00 WAT +ATOM 51058 H2 TIP3 14916 19.978 29.755 17.327 1.00 0.00 WAT +ATOM 51059 OH2 TIP3 14917 18.837 16.081 15.894 1.00 0.00 WAT +ATOM 51060 H1 TIP3 14917 18.838 16.845 16.495 1.00 0.00 WAT +ATOM 51061 H2 TIP3 14917 19.646 15.613 16.174 1.00 0.00 WAT +ATOM 51062 OH2 TIP3 14918 29.173 16.964 28.457 1.00 0.00 WAT +ATOM 51063 H1 TIP3 14918 28.215 17.136 28.338 1.00 0.00 WAT +ATOM 51064 H2 TIP3 14918 29.403 16.785 27.535 1.00 0.00 WAT +ATOM 51065 OH2 TIP3 14919 27.696 20.810 22.462 1.00 0.00 WAT +ATOM 51066 H1 TIP3 14919 26.839 20.407 22.230 1.00 0.00 WAT +ATOM 51067 H2 TIP3 14919 28.137 20.087 22.954 1.00 0.00 WAT +ATOM 51068 OH2 TIP3 14920 17.240 26.985 14.945 1.00 0.00 WAT +ATOM 51069 H1 TIP3 14920 17.989 27.452 15.354 1.00 0.00 WAT +ATOM 51070 H2 TIP3 14920 17.726 26.458 14.291 1.00 0.00 WAT +ATOM 51071 OH2 TIP3 14921 15.363 19.177 13.971 1.00 0.00 WAT +ATOM 51072 H1 TIP3 14921 15.502 20.101 14.248 1.00 0.00 WAT +ATOM 51073 H2 TIP3 14921 14.424 19.172 13.757 1.00 0.00 WAT +ATOM 51074 OH2 TIP3 14922 28.697 29.695 23.885 1.00 0.00 WAT +ATOM 51075 H1 TIP3 14922 28.511 30.494 23.358 1.00 0.00 WAT +ATOM 51076 H2 TIP3 14922 29.632 29.835 24.099 1.00 0.00 WAT +ATOM 51077 OH2 TIP3 14923 16.319 14.180 22.826 1.00 0.00 WAT +ATOM 51078 H1 TIP3 14923 16.133 14.125 21.865 1.00 0.00 WAT +ATOM 51079 H2 TIP3 14923 15.967 13.330 23.151 1.00 0.00 WAT +ATOM 51080 OH2 TIP3 14924 15.198 27.685 19.149 1.00 0.00 WAT +ATOM 51081 H1 TIP3 14924 14.409 28.197 19.369 1.00 0.00 WAT +ATOM 51082 H2 TIP3 14924 15.571 28.197 18.416 1.00 0.00 WAT +ATOM 51083 OH2 TIP3 14925 14.594 30.588 30.281 1.00 0.00 WAT +ATOM 51084 H1 TIP3 14925 15.182 30.302 31.007 1.00 0.00 WAT +ATOM 51085 H2 TIP3 14925 14.217 29.732 29.995 1.00 0.00 WAT +ATOM 51086 OH2 TIP3 14926 19.313 29.649 32.066 1.00 0.00 WAT +ATOM 51087 H1 TIP3 14926 19.980 28.972 32.260 1.00 0.00 WAT +ATOM 51088 H2 TIP3 14926 19.059 29.403 31.161 1.00 0.00 WAT +ATOM 51089 OH2 TIP3 14927 23.339 28.902 13.584 1.00 0.00 WAT +ATOM 51090 H1 TIP3 14927 22.580 28.286 13.487 1.00 0.00 WAT +ATOM 51091 H2 TIP3 14927 24.048 28.350 13.216 1.00 0.00 WAT +ATOM 51092 OH2 TIP3 14928 25.713 27.961 30.695 1.00 0.00 WAT +ATOM 51093 H1 TIP3 14928 25.272 27.123 30.941 1.00 0.00 WAT +ATOM 51094 H2 TIP3 14928 26.438 28.002 31.327 1.00 0.00 WAT +ATOM 51095 OH2 TIP3 14929 27.974 28.821 13.693 1.00 0.00 WAT +ATOM 51096 H1 TIP3 14929 28.104 28.000 14.198 1.00 0.00 WAT +ATOM 51097 H2 TIP3 14929 28.768 28.841 13.130 1.00 0.00 WAT +ATOM 51098 OH2 TIP3 14930 14.544 24.212 31.419 1.00 0.00 WAT +ATOM 51099 H1 TIP3 14930 14.658 23.311 31.070 1.00 0.00 WAT +ATOM 51100 H2 TIP3 14930 13.794 24.521 30.874 1.00 0.00 WAT +ATOM 51101 OH2 TIP3 14931 18.774 24.653 13.425 1.00 0.00 WAT +ATOM 51102 H1 TIP3 14931 18.915 24.045 14.171 1.00 0.00 WAT +ATOM 51103 H2 TIP3 14931 19.633 24.582 12.968 1.00 0.00 WAT +ATOM 51104 OH2 TIP3 14932 21.106 24.385 30.764 1.00 0.00 WAT +ATOM 51105 H1 TIP3 14932 20.919 24.707 29.865 1.00 0.00 WAT +ATOM 51106 H2 TIP3 14932 21.239 23.429 30.601 1.00 0.00 WAT +ATOM 51107 OH2 TIP3 14933 24.007 25.968 13.032 1.00 0.00 WAT +ATOM 51108 H1 TIP3 14933 23.957 25.917 14.004 1.00 0.00 WAT +ATOM 51109 H2 TIP3 14933 23.956 25.012 12.815 1.00 0.00 WAT +ATOM 51110 OH2 TIP3 14934 26.605 23.978 28.151 1.00 0.00 WAT +ATOM 51111 H1 TIP3 14934 27.262 24.644 27.906 1.00 0.00 WAT +ATOM 51112 H2 TIP3 14934 25.776 24.495 28.166 1.00 0.00 WAT +ATOM 51113 OH2 TIP3 14935 15.406 21.350 30.575 1.00 0.00 WAT +ATOM 51114 H1 TIP3 14935 16.150 20.722 30.558 1.00 0.00 WAT +ATOM 51115 H2 TIP3 14935 15.363 21.547 31.524 1.00 0.00 WAT +ATOM 51116 OH2 TIP3 14936 19.855 22.727 15.759 1.00 0.00 WAT +ATOM 51117 H1 TIP3 14936 19.240 22.218 16.308 1.00 0.00 WAT +ATOM 51118 H2 TIP3 14936 20.154 22.042 15.124 1.00 0.00 WAT +ATOM 51119 OH2 TIP3 14937 19.063 20.422 27.906 1.00 0.00 WAT +ATOM 51120 H1 TIP3 14937 18.572 21.184 28.259 1.00 0.00 WAT +ATOM 51121 H2 TIP3 14937 19.723 20.924 27.378 1.00 0.00 WAT +ATOM 51122 OH2 TIP3 14938 20.809 20.753 14.018 1.00 0.00 WAT +ATOM 51123 H1 TIP3 14938 20.751 20.777 13.046 1.00 0.00 WAT +ATOM 51124 H2 TIP3 14938 21.772 20.694 14.156 1.00 0.00 WAT +ATOM 51125 OH2 TIP3 14939 24.409 23.186 31.688 1.00 0.00 WAT +ATOM 51126 H1 TIP3 14939 25.241 22.973 31.244 1.00 0.00 WAT +ATOM 51127 H2 TIP3 14939 24.111 22.312 31.976 1.00 0.00 WAT +ATOM 51128 OH2 TIP3 14940 30.331 23.256 13.338 1.00 0.00 WAT +ATOM 51129 H1 TIP3 14940 30.209 22.829 12.477 1.00 0.00 WAT +ATOM 51130 H2 TIP3 14940 30.208 24.199 13.094 1.00 0.00 WAT +ATOM 51131 OH2 TIP3 14941 19.675 17.768 29.151 1.00 0.00 WAT +ATOM 51132 H1 TIP3 14941 19.719 17.104 28.441 1.00 0.00 WAT +ATOM 51133 H2 TIP3 14941 19.469 18.578 28.649 1.00 0.00 WAT +ATOM 51134 OH2 TIP3 14942 20.014 16.202 26.582 1.00 0.00 WAT +ATOM 51135 H1 TIP3 14942 20.507 16.779 25.967 1.00 0.00 WAT +ATOM 51136 H2 TIP3 14942 19.093 16.259 26.250 1.00 0.00 WAT +ATOM 51137 OH2 TIP3 14943 26.136 19.610 31.780 1.00 0.00 WAT +ATOM 51138 H1 TIP3 14943 26.319 18.679 31.984 1.00 0.00 WAT +ATOM 51139 H2 TIP3 14943 27.029 19.983 31.739 1.00 0.00 WAT +ATOM 51140 OH2 TIP3 14944 27.117 22.414 30.301 1.00 0.00 WAT +ATOM 51141 H1 TIP3 14944 26.737 22.990 29.603 1.00 0.00 WAT +ATOM 51142 H2 TIP3 14944 27.987 22.242 29.891 1.00 0.00 WAT +ATOM 51143 OH2 TIP3 14945 17.864 19.627 30.944 1.00 0.00 WAT +ATOM 51144 H1 TIP3 14945 17.351 18.799 30.933 1.00 0.00 WAT +ATOM 51145 H2 TIP3 14945 18.686 19.355 30.509 1.00 0.00 WAT +ATOM 51146 OH2 TIP3 14946 20.786 13.529 26.859 1.00 0.00 WAT +ATOM 51147 H1 TIP3 14946 20.591 14.484 26.733 1.00 0.00 WAT +ATOM 51148 H2 TIP3 14946 20.029 13.132 26.382 1.00 0.00 WAT +ATOM 51149 OH2 TIP3 14947 22.002 18.132 30.732 1.00 0.00 WAT +ATOM 51150 H1 TIP3 14947 21.648 17.920 31.614 1.00 0.00 WAT +ATOM 51151 H2 TIP3 14947 21.197 17.964 30.196 1.00 0.00 WAT +ATOM 51152 OH2 TIP3 14948 24.514 17.164 29.576 1.00 0.00 WAT +ATOM 51153 H1 TIP3 14948 23.636 17.274 29.991 1.00 0.00 WAT +ATOM 51154 H2 TIP3 14948 24.957 16.576 30.215 1.00 0.00 WAT +ATOM 51155 OH2 TIP3 14949 26.399 15.659 31.366 1.00 0.00 WAT +ATOM 51156 H1 TIP3 14949 26.178 14.725 31.539 1.00 0.00 WAT +ATOM 51157 H2 TIP3 14949 26.175 16.098 32.210 1.00 0.00 WAT +ATOM 51158 OH2 TIP3 14950 16.547 17.083 30.784 1.00 0.00 WAT +ATOM 51159 H1 TIP3 14950 16.455 16.380 30.120 1.00 0.00 WAT +ATOM 51160 H2 TIP3 14950 16.320 16.606 31.605 1.00 0.00 WAT +ATOM 51161 OH2 TIP3 14951 20.552 13.079 29.763 1.00 0.00 WAT +ATOM 51162 H1 TIP3 14951 21.115 12.294 29.835 1.00 0.00 WAT +ATOM 51163 H2 TIP3 14951 20.532 13.221 28.800 1.00 0.00 WAT +ATOM 51164 OH2 TIP3 14952 21.519 14.940 31.580 1.00 0.00 WAT +ATOM 51165 H1 TIP3 14952 21.158 14.336 30.899 1.00 0.00 WAT +ATOM 51166 H2 TIP3 14952 20.825 15.612 31.654 1.00 0.00 WAT +ATOM 51167 OH2 TIP3 14953 20.574 31.975 15.115 1.00 0.00 WAT +ATOM 51168 H1 TIP3 14953 21.531 32.078 15.219 1.00 0.00 WAT +ATOM 51169 H2 TIP3 14953 20.435 32.423 14.271 1.00 0.00 WAT +ATOM 51170 OH2 TIP3 14954 14.484 26.378 14.633 1.00 0.00 WAT +ATOM 51171 H1 TIP3 14954 15.438 26.547 14.782 1.00 0.00 WAT +ATOM 51172 H2 TIP3 14954 14.502 25.576 14.072 1.00 0.00 WAT +ATOM 51173 OH2 TIP3 14955 13.460 31.567 19.391 1.00 0.00 WAT +ATOM 51174 H1 TIP3 14955 12.756 31.179 18.837 1.00 0.00 WAT +ATOM 51175 H2 TIP3 14955 13.577 30.872 20.071 1.00 0.00 WAT +ATOM 51176 OH2 TIP3 14956 13.854 29.589 21.370 1.00 0.00 WAT +ATOM 51177 H1 TIP3 14956 13.580 28.708 21.677 1.00 0.00 WAT +ATOM 51178 H2 TIP3 14956 14.233 29.924 22.198 1.00 0.00 WAT +ATOM 51179 OH2 TIP3 14957 31.438 30.820 24.357 1.00 0.00 WAT +ATOM 51180 H1 TIP3 14957 31.586 30.844 25.312 1.00 0.00 WAT +ATOM 51181 H2 TIP3 14957 32.268 31.180 24.020 1.00 0.00 WAT +ATOM 51182 OH2 TIP3 14958 31.299 30.285 27.312 1.00 0.00 WAT +ATOM 51183 H1 TIP3 14958 30.800 29.576 26.864 1.00 0.00 WAT +ATOM 51184 H2 TIP3 14958 31.882 29.752 27.875 1.00 0.00 WAT +ATOM 51185 OH2 TIP3 14959 29.324 25.825 31.499 1.00 0.00 WAT +ATOM 51186 H1 TIP3 14959 28.471 25.758 31.961 1.00 0.00 WAT +ATOM 51187 H2 TIP3 14959 29.804 26.517 31.977 1.00 0.00 WAT +ATOM 51188 OH2 TIP3 14960 30.714 24.625 17.272 1.00 0.00 WAT +ATOM 51189 H1 TIP3 14960 31.621 24.939 17.446 1.00 0.00 WAT +ATOM 51190 H2 TIP3 14960 30.613 23.985 18.001 1.00 0.00 WAT +ATOM 51191 OH2 TIP3 14961 31.168 22.584 19.244 1.00 0.00 WAT +ATOM 51192 H1 TIP3 14961 30.493 22.021 19.675 1.00 0.00 WAT +ATOM 51193 H2 TIP3 14961 31.845 22.696 19.938 1.00 0.00 WAT +ATOM 51194 OH2 TIP3 14962 30.918 25.086 24.246 1.00 0.00 WAT +ATOM 51195 H1 TIP3 14962 31.509 24.587 23.661 1.00 0.00 WAT +ATOM 51196 H2 TIP3 14962 30.993 25.988 23.895 1.00 0.00 WAT +ATOM 51197 OH2 TIP3 14963 29.610 28.013 26.463 1.00 0.00 WAT +ATOM 51198 H1 TIP3 14963 28.852 28.393 26.941 1.00 0.00 WAT +ATOM 51199 H2 TIP3 14963 29.172 27.641 25.669 1.00 0.00 WAT +ATOM 51200 OH2 TIP3 14964 31.436 22.027 15.830 1.00 0.00 WAT +ATOM 51201 H1 TIP3 14964 30.914 22.305 15.054 1.00 0.00 WAT +ATOM 51202 H2 TIP3 14964 31.288 22.776 16.428 1.00 0.00 WAT +ATOM 51203 OH2 TIP3 14965 29.728 19.576 14.099 1.00 0.00 WAT +ATOM 51204 H1 TIP3 14965 29.949 20.176 13.374 1.00 0.00 WAT +ATOM 51205 H2 TIP3 14965 29.453 18.766 13.625 1.00 0.00 WAT +ATOM 51206 OH2 TIP3 14966 29.125 20.709 20.071 1.00 0.00 WAT +ATOM 51207 H1 TIP3 14966 29.020 19.759 19.904 1.00 0.00 WAT +ATOM 51208 H2 TIP3 14966 28.717 20.812 20.956 1.00 0.00 WAT +ATOM 51209 OH2 TIP3 14967 13.952 22.942 23.782 1.00 0.00 WAT +ATOM 51210 H1 TIP3 14967 14.209 22.985 22.846 1.00 0.00 WAT +ATOM 51211 H2 TIP3 14967 14.819 22.721 24.186 1.00 0.00 WAT +ATOM 51212 OH2 TIP3 14968 29.722 22.648 29.220 1.00 0.00 WAT +ATOM 51213 H1 TIP3 14968 30.450 22.019 29.378 1.00 0.00 WAT +ATOM 51214 H2 TIP3 14968 30.185 23.467 29.007 1.00 0.00 WAT +ATOM 51215 OH2 TIP3 14969 31.269 20.745 30.440 1.00 0.00 WAT +ATOM 51216 H1 TIP3 14969 30.472 20.222 30.199 1.00 0.00 WAT +ATOM 51217 H2 TIP3 14969 31.966 20.065 30.393 1.00 0.00 WAT +ATOM 51218 OH2 TIP3 14970 29.170 16.933 13.290 1.00 0.00 WAT +ATOM 51219 H1 TIP3 14970 29.706 16.414 13.912 1.00 0.00 WAT +ATOM 51220 H2 TIP3 14970 28.350 16.419 13.201 1.00 0.00 WAT +ATOM 51221 OH2 TIP3 14971 28.982 18.205 18.263 1.00 0.00 WAT +ATOM 51222 H1 TIP3 14971 29.223 17.255 18.288 1.00 0.00 WAT +ATOM 51223 H2 TIP3 14971 29.775 18.577 17.839 1.00 0.00 WAT +ATOM 51224 OH2 TIP3 14972 29.203 18.776 23.678 1.00 0.00 WAT +ATOM 51225 H1 TIP3 14972 30.169 18.931 23.661 1.00 0.00 WAT +ATOM 51226 H2 TIP3 14972 29.032 18.865 24.632 1.00 0.00 WAT +ATOM 51227 OH2 TIP3 14973 29.350 19.515 26.488 1.00 0.00 WAT +ATOM 51228 H1 TIP3 14973 28.489 19.888 26.764 1.00 0.00 WAT +ATOM 51229 H2 TIP3 14973 29.859 20.324 26.302 1.00 0.00 WAT +ATOM 51230 OH2 TIP3 14974 13.865 18.284 30.191 1.00 0.00 WAT +ATOM 51231 H1 TIP3 14974 14.801 18.017 30.199 1.00 0.00 WAT +ATOM 51232 H2 TIP3 14974 13.419 17.419 30.234 1.00 0.00 WAT +ATOM 51233 OH2 TIP3 14975 31.983 13.693 31.806 1.00 0.00 WAT +ATOM 51234 H1 TIP3 14975 32.326 12.983 31.234 1.00 0.00 WAT +ATOM 51235 H2 TIP3 14975 31.952 14.454 31.196 1.00 0.00 WAT +ATOM 51236 OH2 TIP3 14976 29.456 15.408 18.219 1.00 0.00 WAT +ATOM 51237 H1 TIP3 14976 29.514 15.108 19.142 1.00 0.00 WAT +ATOM 51238 H2 TIP3 14976 28.655 14.932 17.913 1.00 0.00 WAT +ATOM 51239 OH2 TIP3 14977 14.629 16.612 22.980 1.00 0.00 WAT +ATOM 51240 H1 TIP3 14977 15.086 15.755 23.043 1.00 0.00 WAT +ATOM 51241 H2 TIP3 14977 15.316 17.212 23.326 1.00 0.00 WAT +ATOM 51242 OH2 TIP3 14978 13.171 19.294 24.019 1.00 0.00 WAT +ATOM 51243 H1 TIP3 14978 13.746 19.235 23.239 1.00 0.00 WAT +ATOM 51244 H2 TIP3 14978 13.560 20.051 24.474 1.00 0.00 WAT +ATOM 51245 OH2 TIP3 14979 31.296 15.691 30.023 1.00 0.00 WAT +ATOM 51246 H1 TIP3 14979 30.428 16.128 30.106 1.00 0.00 WAT +ATOM 51247 H2 TIP3 14979 31.148 15.175 29.212 1.00 0.00 WAT +ATOM 51248 OH2 TIP3 14980 31.414 15.873 14.919 1.00 0.00 WAT +ATOM 51249 H1 TIP3 14980 31.720 15.100 14.415 1.00 0.00 WAT +ATOM 51250 H2 TIP3 14980 32.210 16.427 14.949 1.00 0.00 WAT +ATOM 51251 OH2 TIP3 14981 13.667 15.686 18.164 1.00 0.00 WAT +ATOM 51252 H1 TIP3 14981 12.733 15.651 17.896 1.00 0.00 WAT +ATOM 51253 H2 TIP3 14981 14.090 16.186 17.440 1.00 0.00 WAT +ATOM 51254 OH2 TIP3 14982 28.299 30.935 20.167 1.00 0.00 WAT +ATOM 51255 H1 TIP3 14982 28.759 30.646 19.361 1.00 0.00 WAT +ATOM 51256 H2 TIP3 14982 29.029 31.243 20.715 1.00 0.00 WAT +ATOM 51257 OH2 TIP3 14983 13.715 14.524 26.233 1.00 0.00 WAT +ATOM 51258 H1 TIP3 14983 13.002 14.236 26.819 1.00 0.00 WAT +ATOM 51259 H2 TIP3 14983 13.215 15.025 25.563 1.00 0.00 WAT +ATOM 51260 OH2 TIP3 14984 15.710 27.605 30.869 1.00 0.00 WAT +ATOM 51261 H1 TIP3 14984 14.985 27.558 30.226 1.00 0.00 WAT +ATOM 51262 H2 TIP3 14984 15.243 27.542 31.712 1.00 0.00 WAT +ATOM 51263 OH2 TIP3 14985 18.531 28.480 26.581 1.00 0.00 WAT +ATOM 51264 H1 TIP3 14985 18.215 29.322 26.216 1.00 0.00 WAT +ATOM 51265 H2 TIP3 14985 19.484 28.558 26.374 1.00 0.00 WAT +ATOM 51266 OH2 TIP3 14986 22.993 29.988 29.635 1.00 0.00 WAT +ATOM 51267 H1 TIP3 14986 23.182 29.679 30.534 1.00 0.00 WAT +ATOM 51268 H2 TIP3 14986 23.868 30.276 29.317 1.00 0.00 WAT +ATOM 51269 OH2 TIP3 14987 25.362 31.360 28.812 1.00 0.00 WAT +ATOM 51270 H1 TIP3 14987 25.962 30.685 28.455 1.00 0.00 WAT +ATOM 51271 H2 TIP3 14987 25.752 31.525 29.673 1.00 0.00 WAT +ATOM 51272 OH2 TIP3 14988 30.087 13.931 27.965 1.00 0.00 WAT +ATOM 51273 H1 TIP3 14988 29.339 14.230 27.422 1.00 0.00 WAT +ATOM 51274 H2 TIP3 14988 30.286 13.044 27.602 1.00 0.00 WAT +ATOM 51275 OH2 TIP3 14989 15.924 31.559 26.906 1.00 0.00 WAT +ATOM 51276 H1 TIP3 14989 15.323 32.182 26.462 1.00 0.00 WAT +ATOM 51277 H2 TIP3 14989 15.561 31.565 27.799 1.00 0.00 WAT +ATOM 51278 OH2 TIP3 14990 18.433 31.294 25.477 1.00 0.00 WAT +ATOM 51279 H1 TIP3 14990 17.571 31.453 25.911 1.00 0.00 WAT +ATOM 51280 H2 TIP3 14990 18.445 31.977 24.784 1.00 0.00 WAT +ATOM 51281 OH2 TIP3 14991 23.172 31.317 25.007 1.00 0.00 WAT +ATOM 51282 H1 TIP3 14991 22.766 31.736 24.227 1.00 0.00 WAT +ATOM 51283 H2 TIP3 14991 23.218 32.065 25.627 1.00 0.00 WAT +ATOM 51284 OH2 TIP3 14992 25.498 30.082 25.988 1.00 0.00 WAT +ATOM 51285 H1 TIP3 14992 24.649 30.361 25.597 1.00 0.00 WAT +ATOM 51286 H2 TIP3 14992 26.040 30.869 25.860 1.00 0.00 WAT +ATOM 51287 OH2 TIP3 14993 28.070 31.760 26.136 1.00 0.00 WAT +ATOM 51288 H1 TIP3 14993 28.022 32.707 25.904 1.00 0.00 WAT +ATOM 51289 H2 TIP3 14993 28.296 31.376 25.271 1.00 0.00 WAT +ATOM 51290 OH2 TIP3 14994 15.499 30.336 23.854 1.00 0.00 WAT +ATOM 51291 H1 TIP3 14994 15.473 29.837 24.700 1.00 0.00 WAT +ATOM 51292 H2 TIP3 14994 16.250 29.888 23.413 1.00 0.00 WAT +ATOM 51293 OH2 TIP3 14995 17.513 29.070 22.307 1.00 0.00 WAT +ATOM 51294 H1 TIP3 14995 17.362 28.137 22.575 1.00 0.00 WAT +ATOM 51295 H2 TIP3 14995 18.432 29.206 22.611 1.00 0.00 WAT +ATOM 51296 OH2 TIP3 14996 20.299 29.556 23.173 1.00 0.00 WAT +ATOM 51297 H1 TIP3 14996 20.452 28.613 22.958 1.00 0.00 WAT +ATOM 51298 H2 TIP3 14996 20.336 29.512 24.142 1.00 0.00 WAT +ATOM 51299 OH2 TIP3 14997 23.662 15.438 22.544 1.00 0.00 WAT +ATOM 51300 H1 TIP3 14997 22.946 14.797 22.709 1.00 0.00 WAT +ATOM 51301 H2 TIP3 14997 24.131 15.028 21.805 1.00 0.00 WAT +ATOM 51302 OH2 TIP3 14998 28.558 13.413 22.917 1.00 0.00 WAT +ATOM 51303 H1 TIP3 14998 29.308 13.907 22.538 1.00 0.00 WAT +ATOM 51304 H2 TIP3 14998 27.811 13.764 22.395 1.00 0.00 WAT +ATOM 51305 OH2 TIP3 14999 30.653 14.539 20.835 1.00 0.00 WAT +ATOM 51306 H1 TIP3 14999 31.353 14.174 20.267 1.00 0.00 WAT +ATOM 51307 H2 TIP3 14999 30.933 15.473 20.920 1.00 0.00 WAT +ATOM 51308 OH2 TIP3 15000 15.939 13.958 20.011 1.00 0.00 WAT +ATOM 51309 H1 TIP3 15000 15.083 13.910 19.544 1.00 0.00 WAT +ATOM 51310 H2 TIP3 15000 16.295 13.070 19.820 1.00 0.00 WAT +ATOM 51311 OH2 TIP3 15001 14.804 13.500 15.984 1.00 0.00 WAT +ATOM 51312 H1 TIP3 15001 15.130 14.174 15.375 1.00 0.00 WAT +ATOM 51313 H2 TIP3 15001 14.269 14.001 16.612 1.00 0.00 WAT +ATOM 51314 OH2 TIP3 15002 20.449 13.955 19.933 1.00 0.00 WAT +ATOM 51315 H1 TIP3 15002 21.368 14.256 19.852 1.00 0.00 WAT +ATOM 51316 H2 TIP3 15002 20.362 13.837 20.885 1.00 0.00 WAT +ATOM 51317 OH2 TIP3 15003 26.112 13.987 21.338 1.00 0.00 WAT +ATOM 51318 H1 TIP3 15003 26.242 13.947 20.382 1.00 0.00 WAT +ATOM 51319 H2 TIP3 15003 25.587 13.182 21.499 1.00 0.00 WAT +ATOM 51320 OH2 TIP3 15004 27.134 14.024 17.334 1.00 0.00 WAT +ATOM 51321 H1 TIP3 15004 26.323 14.552 17.189 1.00 0.00 WAT +ATOM 51322 H2 TIP3 15004 26.756 13.132 17.422 1.00 0.00 WAT +ATOM 51323 OH2 TIP3 15005 14.943 29.605 17.082 1.00 0.00 WAT +ATOM 51324 H1 TIP3 15005 14.309 29.477 16.360 1.00 0.00 WAT +ATOM 51325 H2 TIP3 15005 14.930 30.570 17.155 1.00 0.00 WAT +ATOM 51326 OH2 TIP3 15006 16.495 15.606 14.258 1.00 0.00 WAT +ATOM 51327 H1 TIP3 15006 16.963 14.835 13.907 1.00 0.00 WAT +ATOM 51328 H2 TIP3 15006 17.046 15.820 15.033 1.00 0.00 WAT +ATOM 51329 OH2 TIP3 15007 21.586 15.626 16.951 1.00 0.00 WAT +ATOM 51330 H1 TIP3 15007 21.881 15.060 17.678 1.00 0.00 WAT +ATOM 51331 H2 TIP3 15007 21.755 16.504 17.325 1.00 0.00 WAT +ATOM 51332 OH2 TIP3 15008 23.620 31.444 15.191 1.00 0.00 WAT +ATOM 51333 H1 TIP3 15008 24.594 31.442 15.150 1.00 0.00 WAT +ATOM 51334 H2 TIP3 15008 23.417 30.776 14.516 1.00 0.00 WAT +ATOM 51335 OH2 TIP3 15009 30.128 30.460 17.779 1.00 0.00 WAT +ATOM 51336 H1 TIP3 15009 29.893 29.611 17.350 1.00 0.00 WAT +ATOM 51337 H2 TIP3 15009 30.075 31.071 17.026 1.00 0.00 WAT +ATOM 51338 OH2 TIP3 15010 15.747 14.396 29.578 1.00 0.00 WAT +ATOM 51339 H1 TIP3 15010 15.346 13.576 29.919 1.00 0.00 WAT +ATOM 51340 H2 TIP3 15010 16.673 14.265 29.839 1.00 0.00 WAT +ATOM 51341 OH2 TIP3 15011 18.130 13.776 31.294 1.00 0.00 WAT +ATOM 51342 H1 TIP3 15011 18.945 13.408 30.900 1.00 0.00 WAT +ATOM 51343 H2 TIP3 15011 17.779 12.991 31.746 1.00 0.00 WAT +ATOM 51344 OH2 TIP3 15012 16.389 30.570 13.873 1.00 0.00 WAT +ATOM 51345 H1 TIP3 15012 16.145 30.823 14.774 1.00 0.00 WAT +ATOM 51346 H2 TIP3 15012 17.145 29.977 14.017 1.00 0.00 WAT +ATOM 51347 OH2 TIP3 15013 26.237 12.829 31.371 1.00 0.00 WAT +ATOM 51348 H1 TIP3 15013 26.205 12.458 32.276 1.00 0.00 WAT +ATOM 51349 H2 TIP3 15013 27.197 12.875 31.215 1.00 0.00 WAT +ATOM 51350 OH2 TIP3 15014 29.478 29.671 30.323 1.00 0.00 WAT +ATOM 51351 H1 TIP3 15014 28.926 29.173 29.686 1.00 0.00 WAT +ATOM 51352 H2 TIP3 15014 29.525 30.510 29.847 1.00 0.00 WAT +ATOM 51353 OH2 TIP3 15015 42.135 21.935 23.404 1.00 0.00 WAT +ATOM 51354 H1 TIP3 15015 42.907 22.244 23.918 1.00 0.00 WAT +ATOM 51355 H2 TIP3 15015 42.482 22.000 22.505 1.00 0.00 WAT +ATOM 51356 OH2 TIP3 15016 35.150 21.928 25.033 1.00 0.00 WAT +ATOM 51357 H1 TIP3 15016 35.134 21.189 25.668 1.00 0.00 WAT +ATOM 51358 H2 TIP3 15016 35.862 22.473 25.400 1.00 0.00 WAT +ATOM 51359 OH2 TIP3 15017 35.875 26.548 23.686 1.00 0.00 WAT +ATOM 51360 H1 TIP3 15017 35.655 25.626 23.436 1.00 0.00 WAT +ATOM 51361 H2 TIP3 15017 36.813 26.435 23.914 1.00 0.00 WAT +ATOM 51362 OH2 TIP3 15018 32.803 19.965 18.920 1.00 0.00 WAT +ATOM 51363 H1 TIP3 15018 32.403 20.845 19.009 1.00 0.00 WAT +ATOM 51364 H2 TIP3 15018 32.080 19.470 18.514 1.00 0.00 WAT +ATOM 51365 OH2 TIP3 15019 33.610 22.432 20.790 1.00 0.00 WAT +ATOM 51366 H1 TIP3 15019 33.753 21.594 21.271 1.00 0.00 WAT +ATOM 51367 H2 TIP3 15019 34.446 22.528 20.314 1.00 0.00 WAT +ATOM 51368 OH2 TIP3 15020 41.206 24.886 23.954 1.00 0.00 WAT +ATOM 51369 H1 TIP3 15020 41.547 24.127 23.458 1.00 0.00 WAT +ATOM 51370 H2 TIP3 15020 41.950 25.111 24.526 1.00 0.00 WAT +ATOM 51371 OH2 TIP3 15021 37.465 17.185 21.540 1.00 0.00 WAT +ATOM 51372 H1 TIP3 15021 37.571 18.055 21.106 1.00 0.00 WAT +ATOM 51373 H2 TIP3 15021 37.085 16.679 20.793 1.00 0.00 WAT +ATOM 51374 OH2 TIP3 15022 34.110 19.930 22.027 1.00 0.00 WAT +ATOM 51375 H1 TIP3 15022 34.740 19.462 22.598 1.00 0.00 WAT +ATOM 51376 H2 TIP3 15022 34.200 19.439 21.191 1.00 0.00 WAT +ATOM 51377 OH2 TIP3 15023 39.502 21.294 21.489 1.00 0.00 WAT +ATOM 51378 H1 TIP3 15023 40.278 20.807 21.821 1.00 0.00 WAT +ATOM 51379 H2 TIP3 15023 39.021 20.591 21.021 1.00 0.00 WAT +ATOM 51380 OH2 TIP3 15024 36.266 15.907 25.656 1.00 0.00 WAT +ATOM 51381 H1 TIP3 15024 35.906 16.417 24.915 1.00 0.00 WAT +ATOM 51382 H2 TIP3 15024 35.594 16.078 26.345 1.00 0.00 WAT +ATOM 51383 OH2 TIP3 15025 39.127 23.789 25.766 1.00 0.00 WAT +ATOM 51384 H1 TIP3 15025 38.453 24.390 26.152 1.00 0.00 WAT +ATOM 51385 H2 TIP3 15025 39.818 24.433 25.534 1.00 0.00 WAT +ATOM 51386 OH2 TIP3 15026 35.830 18.033 23.621 1.00 0.00 WAT +ATOM 51387 H1 TIP3 15026 36.465 18.617 24.087 1.00 0.00 WAT +ATOM 51388 H2 TIP3 15026 36.412 17.667 22.921 1.00 0.00 WAT +ATOM 51389 OH2 TIP3 15027 37.170 25.737 26.589 1.00 0.00 WAT +ATOM 51390 H1 TIP3 15027 37.344 26.680 26.435 1.00 0.00 WAT +ATOM 51391 H2 TIP3 15027 36.354 25.784 27.107 1.00 0.00 WAT +ATOM 51392 OH2 TIP3 15028 33.477 25.452 17.414 1.00 0.00 WAT +ATOM 51393 H1 TIP3 15028 33.268 25.944 16.601 1.00 0.00 WAT +ATOM 51394 H2 TIP3 15028 33.634 26.157 18.075 1.00 0.00 WAT +ATOM 51395 OH2 TIP3 15029 42.683 22.398 17.383 1.00 0.00 WAT +ATOM 51396 H1 TIP3 15029 41.995 23.077 17.244 1.00 0.00 WAT +ATOM 51397 H2 TIP3 15029 43.290 22.578 16.667 1.00 0.00 WAT +ATOM 51398 OH2 TIP3 15030 42.894 20.778 14.610 1.00 0.00 WAT +ATOM 51399 H1 TIP3 15030 43.608 20.690 15.259 1.00 0.00 WAT +ATOM 51400 H2 TIP3 15030 42.938 19.953 14.116 1.00 0.00 WAT +ATOM 51401 OH2 TIP3 15031 37.575 23.174 20.420 1.00 0.00 WAT +ATOM 51402 H1 TIP3 15031 37.279 22.743 19.597 1.00 0.00 WAT +ATOM 51403 H2 TIP3 15031 38.239 22.543 20.754 1.00 0.00 WAT +ATOM 51404 OH2 TIP3 15032 38.975 26.600 23.143 1.00 0.00 WAT +ATOM 51405 H1 TIP3 15032 38.907 26.138 22.298 1.00 0.00 WAT +ATOM 51406 H2 TIP3 15032 39.734 26.141 23.553 1.00 0.00 WAT +ATOM 51407 OH2 TIP3 15033 38.143 21.950 23.871 1.00 0.00 WAT +ATOM 51408 H1 TIP3 15033 38.735 21.973 23.092 1.00 0.00 WAT +ATOM 51409 H2 TIP3 15033 38.512 22.662 24.431 1.00 0.00 WAT +ATOM 51410 OH2 TIP3 15034 35.935 22.673 27.858 1.00 0.00 WAT +ATOM 51411 H1 TIP3 15034 36.026 23.310 28.588 1.00 0.00 WAT +ATOM 51412 H2 TIP3 15034 34.968 22.590 27.790 1.00 0.00 WAT +ATOM 51413 OH2 TIP3 15035 42.526 28.423 19.586 1.00 0.00 WAT +ATOM 51414 H1 TIP3 15035 42.994 28.910 20.285 1.00 0.00 WAT +ATOM 51415 H2 TIP3 15035 42.003 29.119 19.169 1.00 0.00 WAT +ATOM 51416 OH2 TIP3 15036 37.112 28.602 29.597 1.00 0.00 WAT +ATOM 51417 H1 TIP3 15036 37.336 28.245 28.722 1.00 0.00 WAT +ATOM 51418 H2 TIP3 15036 36.352 28.056 29.854 1.00 0.00 WAT +ATOM 51419 OH2 TIP3 15037 36.498 21.918 17.945 1.00 0.00 WAT +ATOM 51420 H1 TIP3 15037 36.307 22.692 17.386 1.00 0.00 WAT +ATOM 51421 H2 TIP3 15037 35.818 21.295 17.656 1.00 0.00 WAT +ATOM 51422 OH2 TIP3 15038 32.558 24.602 26.663 1.00 0.00 WAT +ATOM 51423 H1 TIP3 15038 32.093 24.599 25.801 1.00 0.00 WAT +ATOM 51424 H2 TIP3 15038 32.680 23.649 26.827 1.00 0.00 WAT +ATOM 51425 OH2 TIP3 15039 32.650 27.605 23.575 1.00 0.00 WAT +ATOM 51426 H1 TIP3 15039 33.536 27.227 23.680 1.00 0.00 WAT +ATOM 51427 H2 TIP3 15039 32.554 28.116 24.390 1.00 0.00 WAT +ATOM 51428 OH2 TIP3 15040 41.807 31.213 18.133 1.00 0.00 WAT +ATOM 51429 H1 TIP3 15040 42.039 31.199 17.193 1.00 0.00 WAT +ATOM 51430 H2 TIP3 15040 42.105 32.080 18.433 1.00 0.00 WAT +ATOM 51431 OH2 TIP3 15041 35.729 30.352 19.791 1.00 0.00 WAT +ATOM 51432 H1 TIP3 15041 35.867 29.855 20.620 1.00 0.00 WAT +ATOM 51433 H2 TIP3 15041 34.923 29.937 19.452 1.00 0.00 WAT +ATOM 51434 OH2 TIP3 15042 34.657 26.216 27.986 1.00 0.00 WAT +ATOM 51435 H1 TIP3 15042 35.034 25.672 28.707 1.00 0.00 WAT +ATOM 51436 H2 TIP3 15042 34.031 25.607 27.552 1.00 0.00 WAT +ATOM 51437 OH2 TIP3 15043 38.253 14.522 23.497 1.00 0.00 WAT +ATOM 51438 H1 TIP3 15043 37.389 14.439 23.067 1.00 0.00 WAT +ATOM 51439 H2 TIP3 15043 38.125 15.319 24.026 1.00 0.00 WAT +ATOM 51440 OH2 TIP3 15044 42.343 13.932 27.920 1.00 0.00 WAT +ATOM 51441 H1 TIP3 15044 42.432 13.237 28.590 1.00 0.00 WAT +ATOM 51442 H2 TIP3 15044 41.420 13.789 27.628 1.00 0.00 WAT +ATOM 51443 OH2 TIP3 15045 42.271 16.785 14.586 1.00 0.00 WAT +ATOM 51444 H1 TIP3 15045 41.707 16.634 15.353 1.00 0.00 WAT +ATOM 51445 H2 TIP3 15045 41.968 16.088 13.988 1.00 0.00 WAT +ATOM 51446 OH2 TIP3 15046 37.800 19.413 25.088 1.00 0.00 WAT +ATOM 51447 H1 TIP3 15046 37.205 19.542 25.844 1.00 0.00 WAT +ATOM 51448 H2 TIP3 15046 37.877 20.321 24.718 1.00 0.00 WAT +ATOM 51449 OH2 TIP3 15047 37.745 19.461 19.981 1.00 0.00 WAT +ATOM 51450 H1 TIP3 15047 36.784 19.402 19.823 1.00 0.00 WAT +ATOM 51451 H2 TIP3 15047 38.083 19.325 19.077 1.00 0.00 WAT +ATOM 51452 OH2 TIP3 15048 42.484 20.335 19.110 1.00 0.00 WAT +ATOM 51453 H1 TIP3 15048 42.389 21.212 18.679 1.00 0.00 WAT +ATOM 51454 H2 TIP3 15048 43.425 20.204 18.910 1.00 0.00 WAT +ATOM 51455 OH2 TIP3 15049 42.578 20.293 30.302 1.00 0.00 WAT +ATOM 51456 H1 TIP3 15049 41.969 19.532 30.422 1.00 0.00 WAT +ATOM 51457 H2 TIP3 15049 43.431 19.829 30.267 1.00 0.00 WAT +ATOM 51458 OH2 TIP3 15050 35.158 19.584 26.926 1.00 0.00 WAT +ATOM 51459 H1 TIP3 15050 35.421 19.898 27.799 1.00 0.00 WAT +ATOM 51460 H2 TIP3 15050 34.823 18.693 27.128 1.00 0.00 WAT +ATOM 51461 OH2 TIP3 15051 38.631 17.189 13.506 1.00 0.00 WAT +ATOM 51462 H1 TIP3 15051 38.202 16.817 14.298 1.00 0.00 WAT +ATOM 51463 H2 TIP3 15051 37.876 17.366 12.929 1.00 0.00 WAT +ATOM 51464 OH2 TIP3 15052 31.996 17.051 20.575 1.00 0.00 WAT +ATOM 51465 H1 TIP3 15052 32.614 17.007 21.327 1.00 0.00 WAT +ATOM 51466 H2 TIP3 15052 32.497 16.666 19.840 1.00 0.00 WAT +ATOM 51467 OH2 TIP3 15053 33.613 17.491 16.293 1.00 0.00 WAT +ATOM 51468 H1 TIP3 15053 34.131 17.975 15.617 1.00 0.00 WAT +ATOM 51469 H2 TIP3 15053 32.895 18.127 16.461 1.00 0.00 WAT +ATOM 51470 OH2 TIP3 15054 43.530 20.694 26.293 1.00 0.00 WAT +ATOM 51471 H1 TIP3 15054 43.699 20.128 25.512 1.00 0.00 WAT +ATOM 51472 H2 TIP3 15054 42.713 20.296 26.633 1.00 0.00 WAT +ATOM 51473 OH2 TIP3 15055 40.455 16.727 21.201 1.00 0.00 WAT +ATOM 51474 H1 TIP3 15055 39.519 16.978 21.284 1.00 0.00 WAT +ATOM 51475 H2 TIP3 15055 40.856 17.370 21.825 1.00 0.00 WAT +ATOM 51476 OH2 TIP3 15056 35.072 18.310 19.680 1.00 0.00 WAT +ATOM 51477 H1 TIP3 15056 34.261 18.603 19.223 1.00 0.00 WAT +ATOM 51478 H2 TIP3 15056 35.339 17.521 19.177 1.00 0.00 WAT +ATOM 51479 OH2 TIP3 15057 38.755 18.596 17.312 1.00 0.00 WAT +ATOM 51480 H1 TIP3 15057 39.692 18.834 17.377 1.00 0.00 WAT +ATOM 51481 H2 TIP3 15057 38.412 19.206 16.632 1.00 0.00 WAT +ATOM 51482 OH2 TIP3 15058 37.235 19.855 15.135 1.00 0.00 WAT +ATOM 51483 H1 TIP3 15058 36.608 19.631 14.428 1.00 0.00 WAT +ATOM 51484 H2 TIP3 15058 38.033 20.045 14.615 1.00 0.00 WAT +ATOM 51485 OH2 TIP3 15059 35.790 24.650 30.089 1.00 0.00 WAT +ATOM 51486 H1 TIP3 15059 36.503 24.713 30.758 1.00 0.00 WAT +ATOM 51487 H2 TIP3 15059 35.015 24.576 30.677 1.00 0.00 WAT +ATOM 51488 OH2 TIP3 15060 41.420 18.984 22.444 1.00 0.00 WAT +ATOM 51489 H1 TIP3 15060 42.317 19.013 22.091 1.00 0.00 WAT +ATOM 51490 H2 TIP3 15060 41.604 19.168 23.379 1.00 0.00 WAT +ATOM 51491 OH2 TIP3 15061 36.866 16.016 19.048 1.00 0.00 WAT +ATOM 51492 H1 TIP3 15061 36.251 15.267 19.132 1.00 0.00 WAT +ATOM 51493 H2 TIP3 15061 37.556 15.666 18.474 1.00 0.00 WAT +ATOM 51494 OH2 TIP3 15062 40.488 17.954 25.147 1.00 0.00 WAT +ATOM 51495 H1 TIP3 15062 39.806 18.622 24.961 1.00 0.00 WAT +ATOM 51496 H2 TIP3 15062 40.987 18.367 25.877 1.00 0.00 WAT +ATOM 51497 OH2 TIP3 15063 40.721 24.329 16.999 1.00 0.00 WAT +ATOM 51498 H1 TIP3 15063 39.936 23.868 16.638 1.00 0.00 WAT +ATOM 51499 H2 TIP3 15063 40.489 24.434 17.953 1.00 0.00 WAT +ATOM 51500 OH2 TIP3 15064 35.792 23.878 22.795 1.00 0.00 WAT +ATOM 51501 H1 TIP3 15064 36.348 23.778 22.004 1.00 0.00 WAT +ATOM 51502 H2 TIP3 15064 35.892 23.012 23.220 1.00 0.00 WAT +ATOM 51503 OH2 TIP3 15065 42.872 25.751 15.972 1.00 0.00 WAT +ATOM 51504 H1 TIP3 15065 42.596 26.642 16.270 1.00 0.00 WAT +ATOM 51505 H2 TIP3 15065 42.113 25.220 16.294 1.00 0.00 WAT +ATOM 51506 OH2 TIP3 15066 33.029 22.149 28.063 1.00 0.00 WAT +ATOM 51507 H1 TIP3 15066 33.200 21.687 28.908 1.00 0.00 WAT +ATOM 51508 H2 TIP3 15066 32.428 21.543 27.599 1.00 0.00 WAT +ATOM 51509 OH2 TIP3 15067 40.013 21.523 30.109 1.00 0.00 WAT +ATOM 51510 H1 TIP3 15067 39.677 21.352 29.214 1.00 0.00 WAT +ATOM 51511 H2 TIP3 15067 40.974 21.446 29.974 1.00 0.00 WAT +ATOM 51512 OH2 TIP3 15068 38.138 27.145 20.027 1.00 0.00 WAT +ATOM 51513 H1 TIP3 15068 38.575 28.005 19.921 1.00 0.00 WAT +ATOM 51514 H2 TIP3 15068 37.227 27.351 19.785 1.00 0.00 WAT +ATOM 51515 OH2 TIP3 15069 34.159 21.944 14.660 1.00 0.00 WAT +ATOM 51516 H1 TIP3 15069 34.727 22.632 15.051 1.00 0.00 WAT +ATOM 51517 H2 TIP3 15069 33.279 22.215 14.985 1.00 0.00 WAT +ATOM 51518 OH2 TIP3 15070 39.942 24.831 19.618 1.00 0.00 WAT +ATOM 51519 H1 TIP3 15070 39.686 25.748 19.808 1.00 0.00 WAT +ATOM 51520 H2 TIP3 15070 39.248 24.342 20.085 1.00 0.00 WAT +ATOM 51521 OH2 TIP3 15071 40.159 29.156 26.079 1.00 0.00 WAT +ATOM 51522 H1 TIP3 15071 40.902 29.735 25.819 1.00 0.00 WAT +ATOM 51523 H2 TIP3 15071 40.610 28.487 26.640 1.00 0.00 WAT +ATOM 51524 OH2 TIP3 15072 38.595 30.051 19.275 1.00 0.00 WAT +ATOM 51525 H1 TIP3 15072 37.640 30.213 19.339 1.00 0.00 WAT +ATOM 51526 H2 TIP3 15072 38.962 30.931 19.483 1.00 0.00 WAT +ATOM 51527 OH2 TIP3 15073 34.376 16.772 27.637 1.00 0.00 WAT +ATOM 51528 H1 TIP3 15073 33.466 17.040 27.405 1.00 0.00 WAT +ATOM 51529 H2 TIP3 15073 34.225 15.912 28.069 1.00 0.00 WAT +ATOM 51530 OH2 TIP3 15074 34.103 28.595 26.059 1.00 0.00 WAT +ATOM 51531 H1 TIP3 15074 34.416 27.677 26.083 1.00 0.00 WAT +ATOM 51532 H2 TIP3 15074 34.433 28.894 26.914 1.00 0.00 WAT +ATOM 51533 OH2 TIP3 15075 39.944 27.242 13.092 1.00 0.00 WAT +ATOM 51534 H1 TIP3 15075 40.284 26.482 12.583 1.00 0.00 WAT +ATOM 51535 H2 TIP3 15075 39.566 26.791 13.866 1.00 0.00 WAT +ATOM 51536 OH2 TIP3 15076 38.860 26.665 15.839 1.00 0.00 WAT +ATOM 51537 H1 TIP3 15076 39.343 26.164 16.509 1.00 0.00 WAT +ATOM 51538 H2 TIP3 15076 38.987 27.588 16.139 1.00 0.00 WAT +ATOM 51539 OH2 TIP3 15077 35.664 24.153 16.195 1.00 0.00 WAT +ATOM 51540 H1 TIP3 15077 34.935 24.542 16.718 1.00 0.00 WAT +ATOM 51541 H2 TIP3 15077 36.131 24.956 15.907 1.00 0.00 WAT +ATOM 51542 OH2 TIP3 15078 43.336 17.070 26.711 1.00 0.00 WAT +ATOM 51543 H1 TIP3 15078 44.042 16.421 26.787 1.00 0.00 WAT +ATOM 51544 H2 TIP3 15078 42.669 16.589 26.207 1.00 0.00 WAT +ATOM 51545 OH2 TIP3 15079 41.694 28.342 16.361 1.00 0.00 WAT +ATOM 51546 H1 TIP3 15079 40.885 28.842 16.566 1.00 0.00 WAT +ATOM 51547 H2 TIP3 15079 42.091 28.886 15.675 1.00 0.00 WAT +ATOM 51548 OH2 TIP3 15080 41.471 17.929 18.425 1.00 0.00 WAT +ATOM 51549 H1 TIP3 15080 41.938 18.785 18.563 1.00 0.00 WAT +ATOM 51550 H2 TIP3 15080 41.117 17.818 19.319 1.00 0.00 WAT +ATOM 51551 OH2 TIP3 15081 41.630 18.946 27.598 1.00 0.00 WAT +ATOM 51552 H1 TIP3 15081 41.804 19.475 28.386 1.00 0.00 WAT +ATOM 51553 H2 TIP3 15081 42.345 18.276 27.617 1.00 0.00 WAT +ATOM 51554 OH2 TIP3 15082 41.889 15.001 19.601 1.00 0.00 WAT +ATOM 51555 H1 TIP3 15082 41.690 15.816 20.114 1.00 0.00 WAT +ATOM 51556 H2 TIP3 15082 42.726 15.261 19.170 1.00 0.00 WAT +ATOM 51557 OH2 TIP3 15083 38.942 29.397 16.415 1.00 0.00 WAT +ATOM 51558 H1 TIP3 15083 38.904 30.209 15.869 1.00 0.00 WAT +ATOM 51559 H2 TIP3 15083 38.823 29.752 17.315 1.00 0.00 WAT +ATOM 51560 OH2 TIP3 15084 37.679 16.075 15.905 1.00 0.00 WAT +ATOM 51561 H1 TIP3 15084 37.719 16.882 16.446 1.00 0.00 WAT +ATOM 51562 H2 TIP3 15084 38.527 15.646 16.114 1.00 0.00 WAT +ATOM 51563 OH2 TIP3 15085 36.109 26.962 14.965 1.00 0.00 WAT +ATOM 51564 H1 TIP3 15085 36.845 27.456 15.363 1.00 0.00 WAT +ATOM 51565 H2 TIP3 15085 36.598 26.462 14.293 1.00 0.00 WAT +ATOM 51566 OH2 TIP3 15086 34.235 19.150 14.097 1.00 0.00 WAT +ATOM 51567 H1 TIP3 15086 34.345 20.096 14.309 1.00 0.00 WAT +ATOM 51568 H2 TIP3 15086 33.386 19.145 13.638 1.00 0.00 WAT +ATOM 51569 OH2 TIP3 15087 35.310 14.163 22.856 1.00 0.00 WAT +ATOM 51570 H1 TIP3 15087 35.057 14.192 21.911 1.00 0.00 WAT +ATOM 51571 H2 TIP3 15087 34.875 13.353 23.173 1.00 0.00 WAT +ATOM 51572 OH2 TIP3 15088 34.066 27.691 19.150 1.00 0.00 WAT +ATOM 51573 H1 TIP3 15088 33.272 28.194 19.380 1.00 0.00 WAT +ATOM 51574 H2 TIP3 15088 34.416 28.206 18.407 1.00 0.00 WAT +ATOM 51575 OH2 TIP3 15089 33.428 30.601 30.310 1.00 0.00 WAT +ATOM 51576 H1 TIP3 15089 34.066 30.268 30.969 1.00 0.00 WAT +ATOM 51577 H2 TIP3 15089 33.080 29.754 29.964 1.00 0.00 WAT +ATOM 51578 OH2 TIP3 15090 38.335 29.822 31.976 1.00 0.00 WAT +ATOM 51579 H1 TIP3 15090 38.839 29.036 32.265 1.00 0.00 WAT +ATOM 51580 H2 TIP3 15090 37.978 29.458 31.137 1.00 0.00 WAT +ATOM 51581 OH2 TIP3 15091 42.304 28.880 13.412 1.00 0.00 WAT +ATOM 51582 H1 TIP3 15091 41.469 28.366 13.406 1.00 0.00 WAT +ATOM 51583 H2 TIP3 15091 42.933 28.153 13.262 1.00 0.00 WAT +ATOM 51584 OH2 TIP3 15092 33.394 24.236 31.416 1.00 0.00 WAT +ATOM 51585 H1 TIP3 15092 33.514 23.323 31.104 1.00 0.00 WAT +ATOM 51586 H2 TIP3 15092 32.642 24.519 30.859 1.00 0.00 WAT +ATOM 51587 OH2 TIP3 15093 37.626 24.650 13.420 1.00 0.00 WAT +ATOM 51588 H1 TIP3 15093 37.794 24.053 14.168 1.00 0.00 WAT +ATOM 51589 H2 TIP3 15093 38.481 24.609 12.954 1.00 0.00 WAT +ATOM 51590 OH2 TIP3 15094 39.812 24.435 30.711 1.00 0.00 WAT +ATOM 51591 H1 TIP3 15094 40.081 24.847 29.867 1.00 0.00 WAT +ATOM 51592 H2 TIP3 15094 40.124 23.521 30.586 1.00 0.00 WAT +ATOM 51593 OH2 TIP3 15095 42.616 25.964 12.975 1.00 0.00 WAT +ATOM 51594 H1 TIP3 15095 42.764 26.062 13.931 1.00 0.00 WAT +ATOM 51595 H2 TIP3 15095 42.432 25.012 12.911 1.00 0.00 WAT +ATOM 51596 OH2 TIP3 15096 34.269 21.358 30.580 1.00 0.00 WAT +ATOM 51597 H1 TIP3 15096 35.000 20.717 30.576 1.00 0.00 WAT +ATOM 51598 H2 TIP3 15096 34.216 21.557 31.529 1.00 0.00 WAT +ATOM 51599 OH2 TIP3 15097 38.707 22.704 15.735 1.00 0.00 WAT +ATOM 51600 H1 TIP3 15097 38.084 22.204 16.282 1.00 0.00 WAT +ATOM 51601 H2 TIP3 15097 39.024 22.013 15.119 1.00 0.00 WAT +ATOM 51602 OH2 TIP3 15098 37.953 20.511 28.023 1.00 0.00 WAT +ATOM 51603 H1 TIP3 15098 37.390 21.282 28.225 1.00 0.00 WAT +ATOM 51604 H2 TIP3 15098 38.503 20.859 27.306 1.00 0.00 WAT +ATOM 51605 OH2 TIP3 15099 39.790 20.713 14.041 1.00 0.00 WAT +ATOM 51606 H1 TIP3 15099 39.691 20.779 13.073 1.00 0.00 WAT +ATOM 51607 H2 TIP3 15099 40.746 20.845 14.143 1.00 0.00 WAT +ATOM 51608 OH2 TIP3 15100 42.750 22.977 31.760 1.00 0.00 WAT +ATOM 51609 H1 TIP3 15100 43.504 22.789 31.195 1.00 0.00 WAT +ATOM 51610 H2 TIP3 15100 42.683 22.147 32.261 1.00 0.00 WAT +ATOM 51611 OH2 TIP3 15101 38.582 17.799 29.168 1.00 0.00 WAT +ATOM 51612 H1 TIP3 15101 38.615 17.143 28.451 1.00 0.00 WAT +ATOM 51613 H2 TIP3 15101 38.381 18.615 28.676 1.00 0.00 WAT +ATOM 51614 OH2 TIP3 15102 38.868 16.210 26.571 1.00 0.00 WAT +ATOM 51615 H1 TIP3 15102 39.359 16.827 25.987 1.00 0.00 WAT +ATOM 51616 H2 TIP3 15102 37.953 16.255 26.219 1.00 0.00 WAT +ATOM 51617 OH2 TIP3 15103 40.731 21.707 26.939 1.00 0.00 WAT +ATOM 51618 H1 TIP3 15103 41.340 21.670 26.192 1.00 0.00 WAT +ATOM 51619 H2 TIP3 15103 40.254 22.533 26.748 1.00 0.00 WAT +ATOM 51620 OH2 TIP3 15104 36.745 19.606 30.971 1.00 0.00 WAT +ATOM 51621 H1 TIP3 15104 36.203 18.797 30.936 1.00 0.00 WAT +ATOM 51622 H2 TIP3 15104 37.543 19.333 30.493 1.00 0.00 WAT +ATOM 51623 OH2 TIP3 15105 39.727 13.613 26.932 1.00 0.00 WAT +ATOM 51624 H1 TIP3 15105 39.481 14.552 26.779 1.00 0.00 WAT +ATOM 51625 H2 TIP3 15105 39.042 13.157 26.409 1.00 0.00 WAT +ATOM 51626 OH2 TIP3 15106 41.062 18.051 30.712 1.00 0.00 WAT +ATOM 51627 H1 TIP3 15106 40.640 17.834 31.559 1.00 0.00 WAT +ATOM 51628 H2 TIP3 15106 40.322 17.856 30.105 1.00 0.00 WAT +ATOM 51629 OH2 TIP3 15107 35.386 17.082 30.764 1.00 0.00 WAT +ATOM 51630 H1 TIP3 15107 35.304 16.366 30.114 1.00 0.00 WAT +ATOM 51631 H2 TIP3 15107 35.179 16.615 31.596 1.00 0.00 WAT +ATOM 51632 OH2 TIP3 15108 39.441 13.075 29.787 1.00 0.00 WAT +ATOM 51633 H1 TIP3 15108 40.045 12.321 29.834 1.00 0.00 WAT +ATOM 51634 H2 TIP3 15108 39.415 13.238 28.826 1.00 0.00 WAT +ATOM 51635 OH2 TIP3 15109 40.361 14.883 31.718 1.00 0.00 WAT +ATOM 51636 H1 TIP3 15109 40.054 14.334 30.969 1.00 0.00 WAT +ATOM 51637 H2 TIP3 15109 39.730 15.622 31.704 1.00 0.00 WAT +ATOM 51638 OH2 TIP3 15110 39.562 31.941 15.128 1.00 0.00 WAT +ATOM 51639 H1 TIP3 15110 40.522 32.022 15.195 1.00 0.00 WAT +ATOM 51640 H2 TIP3 15110 39.399 32.428 14.308 1.00 0.00 WAT +ATOM 51641 OH2 TIP3 15111 33.342 26.369 14.653 1.00 0.00 WAT +ATOM 51642 H1 TIP3 15111 34.298 26.547 14.779 1.00 0.00 WAT +ATOM 51643 H2 TIP3 15111 33.355 25.583 14.071 1.00 0.00 WAT +ATOM 51644 OH2 TIP3 15112 32.333 31.574 19.377 1.00 0.00 WAT +ATOM 51645 H1 TIP3 15112 31.625 31.190 18.823 1.00 0.00 WAT +ATOM 51646 H2 TIP3 15112 32.442 30.880 20.057 1.00 0.00 WAT +ATOM 51647 OH2 TIP3 15113 32.721 29.586 21.354 1.00 0.00 WAT +ATOM 51648 H1 TIP3 15113 32.443 28.710 21.674 1.00 0.00 WAT +ATOM 51649 H2 TIP3 15113 33.020 29.965 22.191 1.00 0.00 WAT +ATOM 51650 OH2 TIP3 15114 32.805 22.918 23.764 1.00 0.00 WAT +ATOM 51651 H1 TIP3 15114 33.058 22.980 22.827 1.00 0.00 WAT +ATOM 51652 H2 TIP3 15114 33.674 22.712 24.168 1.00 0.00 WAT +ATOM 51653 OH2 TIP3 15115 32.727 18.276 30.143 1.00 0.00 WAT +ATOM 51654 H1 TIP3 15115 33.660 18.007 30.219 1.00 0.00 WAT +ATOM 51655 H2 TIP3 15115 32.272 17.421 30.240 1.00 0.00 WAT +ATOM 51656 OH2 TIP3 15116 33.508 16.584 22.959 1.00 0.00 WAT +ATOM 51657 H1 TIP3 15116 33.989 15.750 23.075 1.00 0.00 WAT +ATOM 51658 H2 TIP3 15116 34.154 17.219 23.321 1.00 0.00 WAT +ATOM 51659 OH2 TIP3 15117 32.048 19.271 24.030 1.00 0.00 WAT +ATOM 51660 H1 TIP3 15117 32.602 19.275 23.232 1.00 0.00 WAT +ATOM 51661 H2 TIP3 15117 32.383 20.053 24.487 1.00 0.00 WAT +ATOM 51662 OH2 TIP3 15118 32.524 15.626 18.081 1.00 0.00 WAT +ATOM 51663 H1 TIP3 15118 31.574 15.668 17.876 1.00 0.00 WAT +ATOM 51664 H2 TIP3 15118 32.918 16.230 17.421 1.00 0.00 WAT +ATOM 51665 OH2 TIP3 15119 32.552 14.481 26.212 1.00 0.00 WAT +ATOM 51666 H1 TIP3 15119 31.849 14.250 26.833 1.00 0.00 WAT +ATOM 51667 H2 TIP3 15119 32.070 15.054 25.585 1.00 0.00 WAT +ATOM 51668 OH2 TIP3 15120 34.522 27.766 30.930 1.00 0.00 WAT +ATOM 51669 H1 TIP3 15120 33.910 27.537 30.216 1.00 0.00 WAT +ATOM 51670 H2 TIP3 15120 34.056 27.454 31.717 1.00 0.00 WAT +ATOM 51671 OH2 TIP3 15121 37.362 28.699 26.485 1.00 0.00 WAT +ATOM 51672 H1 TIP3 15121 37.159 29.603 26.229 1.00 0.00 WAT +ATOM 51673 H2 TIP3 15121 38.338 28.704 26.412 1.00 0.00 WAT +ATOM 51674 OH2 TIP3 15122 41.949 30.344 29.487 1.00 0.00 WAT +ATOM 51675 H1 TIP3 15122 41.727 29.469 29.844 1.00 0.00 WAT +ATOM 51676 H2 TIP3 15122 42.880 30.211 29.266 1.00 0.00 WAT +ATOM 51677 OH2 TIP3 15123 34.856 31.695 26.876 1.00 0.00 WAT +ATOM 51678 H1 TIP3 15123 34.129 32.174 26.438 1.00 0.00 WAT +ATOM 51679 H2 TIP3 15123 34.447 31.501 27.726 1.00 0.00 WAT +ATOM 51680 OH2 TIP3 15124 37.374 31.999 25.301 1.00 0.00 WAT +ATOM 51681 H1 TIP3 15124 36.614 31.645 25.801 1.00 0.00 WAT +ATOM 51682 H2 TIP3 15124 36.970 32.120 24.428 1.00 0.00 WAT +ATOM 51683 OH2 TIP3 15125 41.893 31.217 25.018 1.00 0.00 WAT +ATOM 51684 H1 TIP3 15125 41.802 31.709 24.192 1.00 0.00 WAT +ATOM 51685 H2 TIP3 15125 42.657 31.645 25.424 1.00 0.00 WAT +ATOM 51686 OH2 TIP3 15126 34.477 30.462 23.898 1.00 0.00 WAT +ATOM 51687 H1 TIP3 15126 34.363 29.891 24.688 1.00 0.00 WAT +ATOM 51688 H2 TIP3 15126 35.105 29.919 23.375 1.00 0.00 WAT +ATOM 51689 OH2 TIP3 15127 36.351 29.056 22.367 1.00 0.00 WAT +ATOM 51690 H1 TIP3 15127 36.216 28.116 22.614 1.00 0.00 WAT +ATOM 51691 H2 TIP3 15127 37.283 29.184 22.632 1.00 0.00 WAT +ATOM 51692 OH2 TIP3 15128 39.102 29.591 23.245 1.00 0.00 WAT +ATOM 51693 H1 TIP3 15128 39.342 28.703 22.925 1.00 0.00 WAT +ATOM 51694 H2 TIP3 15128 39.321 29.491 24.188 1.00 0.00 WAT +ATOM 51695 OH2 TIP3 15129 42.499 14.626 22.637 1.00 0.00 WAT +ATOM 51696 H1 TIP3 15129 41.647 15.070 22.583 1.00 0.00 WAT +ATOM 51697 H2 TIP3 15129 42.973 15.044 21.903 1.00 0.00 WAT +ATOM 51698 OH2 TIP3 15130 34.812 14.155 20.046 1.00 0.00 WAT +ATOM 51699 H1 TIP3 15130 33.947 14.049 19.600 1.00 0.00 WAT +ATOM 51700 H2 TIP3 15130 35.208 13.279 19.899 1.00 0.00 WAT +ATOM 51701 OH2 TIP3 15131 33.673 13.629 15.946 1.00 0.00 WAT +ATOM 51702 H1 TIP3 15131 34.129 14.297 15.398 1.00 0.00 WAT +ATOM 51703 H2 TIP3 15131 33.192 14.184 16.580 1.00 0.00 WAT +ATOM 51704 OH2 TIP3 15132 39.419 13.812 20.119 1.00 0.00 WAT +ATOM 51705 H1 TIP3 15132 40.193 14.392 19.975 1.00 0.00 WAT +ATOM 51706 H2 TIP3 15132 39.104 14.108 20.982 1.00 0.00 WAT +ATOM 51707 OH2 TIP3 15133 33.805 29.606 17.088 1.00 0.00 WAT +ATOM 51708 H1 TIP3 15133 33.171 29.471 16.366 1.00 0.00 WAT +ATOM 51709 H2 TIP3 15133 33.780 30.571 17.158 1.00 0.00 WAT +ATOM 51710 OH2 TIP3 15134 35.319 15.450 14.353 1.00 0.00 WAT +ATOM 51711 H1 TIP3 15134 35.935 14.919 13.818 1.00 0.00 WAT +ATOM 51712 H2 TIP3 15134 35.916 15.799 15.041 1.00 0.00 WAT +ATOM 51713 OH2 TIP3 15135 40.614 15.652 16.943 1.00 0.00 WAT +ATOM 51714 H1 TIP3 15135 40.689 15.098 17.733 1.00 0.00 WAT +ATOM 51715 H2 TIP3 15135 40.598 16.543 17.333 1.00 0.00 WAT +ATOM 51716 OH2 TIP3 15136 42.645 31.232 15.184 1.00 0.00 WAT +ATOM 51717 H1 TIP3 15136 43.514 31.619 14.983 1.00 0.00 WAT +ATOM 51718 H2 TIP3 15136 42.483 30.663 14.410 1.00 0.00 WAT +ATOM 51719 OH2 TIP3 15137 34.613 14.388 29.546 1.00 0.00 WAT +ATOM 51720 H1 TIP3 15137 34.195 13.593 29.923 1.00 0.00 WAT +ATOM 51721 H2 TIP3 15137 35.530 14.266 29.842 1.00 0.00 WAT +ATOM 51722 OH2 TIP3 15138 36.989 13.773 31.301 1.00 0.00 WAT +ATOM 51723 H1 TIP3 15138 37.812 13.410 30.917 1.00 0.00 WAT +ATOM 51724 H2 TIP3 15138 36.622 12.984 31.733 1.00 0.00 WAT +ATOM 51725 OH2 TIP3 15139 35.233 30.554 13.873 1.00 0.00 WAT +ATOM 51726 H1 TIP3 15139 34.998 30.827 14.772 1.00 0.00 WAT +ATOM 51727 H2 TIP3 15139 36.001 29.979 14.019 1.00 0.00 WAT +ATOM 51728 OH2 TIP3 15140 -31.591 42.021 20.120 1.00 0.00 WAT +ATOM 51729 H1 TIP3 15140 -31.867 42.947 20.126 1.00 0.00 WAT +ATOM 51730 H2 TIP3 15140 -32.334 41.616 19.651 1.00 0.00 WAT +ATOM 51731 OH2 TIP3 15141 -32.795 41.326 23.399 1.00 0.00 WAT +ATOM 51732 H1 TIP3 15141 -32.750 40.796 24.211 1.00 0.00 WAT +ATOM 51733 H2 TIP3 15141 -33.038 40.679 22.729 1.00 0.00 WAT +ATOM 51734 OH2 TIP3 15142 -40.209 40.749 24.965 1.00 0.00 WAT +ATOM 51735 H1 TIP3 15142 -40.335 40.076 25.655 1.00 0.00 WAT +ATOM 51736 H2 TIP3 15142 -39.697 41.401 25.463 1.00 0.00 WAT +ATOM 51737 OH2 TIP3 15143 -42.115 39.032 17.847 1.00 0.00 WAT +ATOM 51738 H1 TIP3 15143 -42.446 39.883 18.167 1.00 0.00 WAT +ATOM 51739 H2 TIP3 15143 -42.935 38.542 17.704 1.00 0.00 WAT +ATOM 51740 OH2 TIP3 15144 -41.939 41.204 20.516 1.00 0.00 WAT +ATOM 51741 H1 TIP3 15144 -41.952 40.575 21.251 1.00 0.00 WAT +ATOM 51742 H2 TIP3 15144 -41.003 41.434 20.512 1.00 0.00 WAT +ATOM 51743 OH2 TIP3 15145 -25.595 35.208 24.581 1.00 0.00 WAT +ATOM 51744 H1 TIP3 15145 -25.363 35.840 25.283 1.00 0.00 WAT +ATOM 51745 H2 TIP3 15145 -24.997 35.508 23.871 1.00 0.00 WAT +ATOM 51746 OH2 TIP3 15146 -30.955 38.025 24.450 1.00 0.00 WAT +ATOM 51747 H1 TIP3 15146 -30.837 37.063 24.492 1.00 0.00 WAT +ATOM 51748 H2 TIP3 15146 -31.030 38.172 23.496 1.00 0.00 WAT +ATOM 51749 OH2 TIP3 15147 -37.959 36.051 21.515 1.00 0.00 WAT +ATOM 51750 H1 TIP3 15147 -37.844 36.919 21.078 1.00 0.00 WAT +ATOM 51751 H2 TIP3 15147 -38.355 35.543 20.779 1.00 0.00 WAT +ATOM 51752 OH2 TIP3 15148 -30.300 35.972 19.607 1.00 0.00 WAT +ATOM 51753 H1 TIP3 15148 -29.664 35.685 20.288 1.00 0.00 WAT +ATOM 51754 H2 TIP3 15148 -29.758 36.540 19.043 1.00 0.00 WAT +ATOM 51755 OH2 TIP3 15149 -41.448 38.735 22.026 1.00 0.00 WAT +ATOM 51756 H1 TIP3 15149 -40.803 38.433 22.687 1.00 0.00 WAT +ATOM 51757 H2 TIP3 15149 -41.171 38.215 21.250 1.00 0.00 WAT +ATOM 51758 OH2 TIP3 15150 -35.874 40.175 21.484 1.00 0.00 WAT +ATOM 51759 H1 TIP3 15150 -35.205 39.589 21.893 1.00 0.00 WAT +ATOM 51760 H2 TIP3 15150 -36.451 39.527 21.041 1.00 0.00 WAT +ATOM 51761 OH2 TIP3 15151 -24.871 36.588 27.063 1.00 0.00 WAT +ATOM 51762 H1 TIP3 15151 -25.437 37.322 26.762 1.00 0.00 WAT +ATOM 51763 H2 TIP3 15151 -25.075 36.582 28.008 1.00 0.00 WAT +ATOM 51764 OH2 TIP3 15152 -39.192 34.854 25.681 1.00 0.00 WAT +ATOM 51765 H1 TIP3 15152 -39.602 35.375 24.975 1.00 0.00 WAT +ATOM 51766 H2 TIP3 15152 -39.813 35.035 26.419 1.00 0.00 WAT +ATOM 51767 OH2 TIP3 15153 -36.465 42.660 25.461 1.00 0.00 WAT +ATOM 51768 H1 TIP3 15153 -37.283 43.172 25.557 1.00 0.00 WAT +ATOM 51769 H2 TIP3 15153 -35.822 43.381 25.394 1.00 0.00 WAT +ATOM 51770 OH2 TIP3 15154 -28.388 35.440 21.832 1.00 0.00 WAT +ATOM 51771 H1 TIP3 15154 -28.811 34.945 22.545 1.00 0.00 WAT +ATOM 51772 H2 TIP3 15154 -27.861 36.087 22.333 1.00 0.00 WAT +ATOM 51773 OH2 TIP3 15155 -39.586 36.892 23.619 1.00 0.00 WAT +ATOM 51774 H1 TIP3 15155 -38.969 37.483 24.100 1.00 0.00 WAT +ATOM 51775 H2 TIP3 15155 -38.992 36.544 22.919 1.00 0.00 WAT +ATOM 51776 OH2 TIP3 15156 -28.192 34.557 25.699 1.00 0.00 WAT +ATOM 51777 H1 TIP3 15156 -28.954 35.009 25.296 1.00 0.00 WAT +ATOM 51778 H2 TIP3 15156 -27.464 34.810 25.100 1.00 0.00 WAT +ATOM 51779 OH2 TIP3 15157 -35.034 32.326 22.765 1.00 0.00 WAT +ATOM 51780 H1 TIP3 15157 -35.299 31.388 22.735 1.00 0.00 WAT +ATOM 51781 H2 TIP3 15157 -35.845 32.744 23.129 1.00 0.00 WAT +ATOM 51782 OH2 TIP3 15158 -33.077 41.426 17.509 1.00 0.00 WAT +ATOM 51783 H1 TIP3 15158 -33.717 41.786 16.883 1.00 0.00 WAT +ATOM 51784 H2 TIP3 15158 -32.287 41.355 16.941 1.00 0.00 WAT +ATOM 51785 OH2 TIP3 15159 -32.685 39.408 14.707 1.00 0.00 WAT +ATOM 51786 H1 TIP3 15159 -31.972 39.804 15.244 1.00 0.00 WAT +ATOM 51787 H2 TIP3 15159 -32.164 38.897 14.072 1.00 0.00 WAT +ATOM 51788 OH2 TIP3 15160 -25.551 40.547 25.755 1.00 0.00 WAT +ATOM 51789 H1 TIP3 15160 -26.204 41.270 25.886 1.00 0.00 WAT +ATOM 51790 H2 TIP3 15160 -25.039 40.943 25.018 1.00 0.00 WAT +ATOM 51791 OH2 TIP3 15161 -29.372 41.386 18.516 1.00 0.00 WAT +ATOM 51792 H1 TIP3 15161 -30.009 41.622 19.218 1.00 0.00 WAT +ATOM 51793 H2 TIP3 15161 -28.689 40.899 19.014 1.00 0.00 WAT +ATOM 51794 OH2 TIP3 15162 -29.626 39.801 27.444 1.00 0.00 WAT +ATOM 51795 H1 TIP3 15162 -29.599 40.562 28.046 1.00 0.00 WAT +ATOM 51796 H2 TIP3 15162 -30.179 40.182 26.737 1.00 0.00 WAT +ATOM 51797 OH2 TIP3 15163 -37.709 42.173 20.416 1.00 0.00 WAT +ATOM 51798 H1 TIP3 15163 -37.994 41.826 19.552 1.00 0.00 WAT +ATOM 51799 H2 TIP3 15163 -37.015 41.541 20.669 1.00 0.00 WAT +ATOM 51800 OH2 TIP3 15164 -37.293 40.734 23.804 1.00 0.00 WAT +ATOM 51801 H1 TIP3 15164 -36.673 40.786 23.053 1.00 0.00 WAT +ATOM 51802 H2 TIP3 15164 -36.967 41.439 24.402 1.00 0.00 WAT +ATOM 51803 OH2 TIP3 15165 -30.584 40.804 16.137 1.00 0.00 WAT +ATOM 51804 H1 TIP3 15165 -29.990 41.020 16.893 1.00 0.00 WAT +ATOM 51805 H2 TIP3 15165 -30.074 41.223 15.395 1.00 0.00 WAT +ATOM 51806 OH2 TIP3 15166 -39.495 41.501 27.778 1.00 0.00 WAT +ATOM 51807 H1 TIP3 15166 -39.489 42.047 28.595 1.00 0.00 WAT +ATOM 51808 H2 TIP3 15166 -40.462 41.421 27.658 1.00 0.00 WAT +ATOM 51809 OH2 TIP3 15167 -27.254 32.551 15.463 1.00 0.00 WAT +ATOM 51810 H1 TIP3 15167 -27.937 32.619 16.134 1.00 0.00 WAT +ATOM 51811 H2 TIP3 15167 -26.767 33.384 15.576 1.00 0.00 WAT +ATOM 51812 OH2 TIP3 15168 -38.942 40.846 17.939 1.00 0.00 WAT +ATOM 51813 H1 TIP3 15168 -39.113 41.644 17.398 1.00 0.00 WAT +ATOM 51814 H2 TIP3 15168 -39.640 40.246 17.641 1.00 0.00 WAT +ATOM 51815 OH2 TIP3 15169 -42.214 42.638 26.687 1.00 0.00 WAT +ATOM 51816 H1 TIP3 15169 -42.573 43.201 25.986 1.00 0.00 WAT +ATOM 51817 H2 TIP3 15169 -42.873 42.685 27.389 1.00 0.00 WAT +ATOM 51818 OH2 TIP3 15170 -27.628 38.375 29.778 1.00 0.00 WAT +ATOM 51819 H1 TIP3 15170 -28.151 38.755 29.059 1.00 0.00 WAT +ATOM 51820 H2 TIP3 15170 -27.587 37.436 29.513 1.00 0.00 WAT +ATOM 51821 OH2 TIP3 15171 -37.477 33.476 23.651 1.00 0.00 WAT +ATOM 51822 H1 TIP3 15171 -38.334 33.397 23.191 1.00 0.00 WAT +ATOM 51823 H2 TIP3 15171 -37.679 34.209 24.256 1.00 0.00 WAT +ATOM 51824 OH2 TIP3 15172 -33.109 33.032 27.294 1.00 0.00 WAT +ATOM 51825 H1 TIP3 15172 -32.604 32.544 27.970 1.00 0.00 WAT +ATOM 51826 H2 TIP3 15172 -34.030 32.751 27.455 1.00 0.00 WAT +ATOM 51827 OH2 TIP3 15173 -29.943 36.848 27.834 1.00 0.00 WAT +ATOM 51828 H1 TIP3 15173 -30.545 36.704 28.587 1.00 0.00 WAT +ATOM 51829 H2 TIP3 15173 -30.019 37.806 27.672 1.00 0.00 WAT +ATOM 51830 OH2 TIP3 15174 -29.097 41.747 14.100 1.00 0.00 WAT +ATOM 51831 H1 TIP3 15174 -29.145 41.590 13.144 1.00 0.00 WAT +ATOM 51832 H2 TIP3 15174 -28.217 42.187 14.129 1.00 0.00 WAT +ATOM 51833 OH2 TIP3 15175 -33.320 35.444 14.595 1.00 0.00 WAT +ATOM 51834 H1 TIP3 15175 -33.980 35.633 15.271 1.00 0.00 WAT +ATOM 51835 H2 TIP3 15175 -33.832 34.927 13.946 1.00 0.00 WAT +ATOM 51836 OH2 TIP3 15176 -37.623 38.259 25.117 1.00 0.00 WAT +ATOM 51837 H1 TIP3 15176 -38.257 38.372 25.851 1.00 0.00 WAT +ATOM 51838 H2 TIP3 15176 -37.572 39.166 24.744 1.00 0.00 WAT +ATOM 51839 OH2 TIP3 15177 -37.702 38.323 19.966 1.00 0.00 WAT +ATOM 51840 H1 TIP3 15177 -38.660 38.313 19.787 1.00 0.00 WAT +ATOM 51841 H2 TIP3 15177 -37.347 38.187 19.072 1.00 0.00 WAT +ATOM 51842 OH2 TIP3 15178 -32.079 38.972 18.751 1.00 0.00 WAT +ATOM 51843 H1 TIP3 15178 -32.515 39.761 18.378 1.00 0.00 WAT +ATOM 51844 H2 TIP3 15178 -31.374 38.813 18.098 1.00 0.00 WAT +ATOM 51845 OH2 TIP3 15179 -32.864 39.196 30.156 1.00 0.00 WAT +ATOM 51846 H1 TIP3 15179 -33.373 38.439 30.503 1.00 0.00 WAT +ATOM 51847 H2 TIP3 15179 -31.983 39.047 30.551 1.00 0.00 WAT +ATOM 51848 OH2 TIP3 15180 -31.189 38.195 21.463 1.00 0.00 WAT +ATOM 51849 H1 TIP3 15180 -31.474 38.779 20.734 1.00 0.00 WAT +ATOM 51850 H2 TIP3 15180 -31.034 37.374 20.961 1.00 0.00 WAT +ATOM 51851 OH2 TIP3 15181 -40.071 38.343 26.885 1.00 0.00 WAT +ATOM 51852 H1 TIP3 15181 -40.292 38.953 27.609 1.00 0.00 WAT +ATOM 51853 H2 TIP3 15181 -40.467 37.518 27.207 1.00 0.00 WAT +ATOM 51854 OH2 TIP3 15182 -36.849 35.976 13.529 1.00 0.00 WAT +ATOM 51855 H1 TIP3 15182 -37.306 35.621 14.312 1.00 0.00 WAT +ATOM 51856 H2 TIP3 15182 -37.591 36.228 12.963 1.00 0.00 WAT +ATOM 51857 OH2 TIP3 15183 -43.260 36.025 20.605 1.00 0.00 WAT +ATOM 51858 H1 TIP3 15183 -42.961 35.840 21.517 1.00 0.00 WAT +ATOM 51859 H2 TIP3 15183 -42.793 35.355 20.102 1.00 0.00 WAT +ATOM 51860 OH2 TIP3 15184 -42.074 36.422 16.379 1.00 0.00 WAT +ATOM 51861 H1 TIP3 15184 -41.485 36.737 15.668 1.00 0.00 WAT +ATOM 51862 H2 TIP3 15184 -42.906 36.831 16.115 1.00 0.00 WAT +ATOM 51863 OH2 TIP3 15185 -32.248 39.966 25.946 1.00 0.00 WAT +ATOM 51864 H1 TIP3 15185 -31.702 39.297 25.479 1.00 0.00 WAT +ATOM 51865 H2 TIP3 15185 -32.518 39.470 26.733 1.00 0.00 WAT +ATOM 51866 OH2 TIP3 15186 -35.024 35.901 20.895 1.00 0.00 WAT +ATOM 51867 H1 TIP3 15186 -35.927 35.938 21.254 1.00 0.00 WAT +ATOM 51868 H2 TIP3 15186 -34.494 35.755 21.695 1.00 0.00 WAT +ATOM 51869 OH2 TIP3 15187 -40.428 37.194 19.638 1.00 0.00 WAT +ATOM 51870 H1 TIP3 15187 -41.130 37.409 19.003 1.00 0.00 WAT +ATOM 51871 H2 TIP3 15187 -40.068 36.366 19.271 1.00 0.00 WAT +ATOM 51872 OH2 TIP3 15188 -36.640 37.391 17.260 1.00 0.00 WAT +ATOM 51873 H1 TIP3 15188 -35.713 37.642 17.417 1.00 0.00 WAT +ATOM 51874 H2 TIP3 15188 -36.961 38.073 16.640 1.00 0.00 WAT +ATOM 51875 OH2 TIP3 15189 -30.567 35.014 23.966 1.00 0.00 WAT +ATOM 51876 H1 TIP3 15189 -31.170 35.054 24.743 1.00 0.00 WAT +ATOM 51877 H2 TIP3 15189 -31.210 34.775 23.274 1.00 0.00 WAT +ATOM 51878 OH2 TIP3 15190 -38.227 38.716 15.142 1.00 0.00 WAT +ATOM 51879 H1 TIP3 15190 -38.827 38.455 14.426 1.00 0.00 WAT +ATOM 51880 H2 TIP3 15190 -37.431 38.964 14.639 1.00 0.00 WAT +ATOM 51881 OH2 TIP3 15191 -39.627 43.081 29.991 1.00 0.00 WAT +ATOM 51882 H1 TIP3 15191 -38.984 43.574 30.537 1.00 0.00 WAT +ATOM 51883 H2 TIP3 15191 -40.404 43.057 30.585 1.00 0.00 WAT +ATOM 51884 OH2 TIP3 15192 -33.872 38.455 22.775 1.00 0.00 WAT +ATOM 51885 H1 TIP3 15192 -33.104 38.033 22.362 1.00 0.00 WAT +ATOM 51886 H2 TIP3 15192 -34.014 37.893 23.563 1.00 0.00 WAT +ATOM 51887 OH2 TIP3 15193 -38.725 34.834 19.102 1.00 0.00 WAT +ATOM 51888 H1 TIP3 15193 -39.223 34.003 19.107 1.00 0.00 WAT +ATOM 51889 H2 TIP3 15193 -37.980 34.630 18.526 1.00 0.00 WAT +ATOM 51890 OH2 TIP3 15194 -34.911 36.950 25.060 1.00 0.00 WAT +ATOM 51891 H1 TIP3 15194 -35.688 37.534 25.068 1.00 0.00 WAT +ATOM 51892 H2 TIP3 15194 -34.421 37.228 25.859 1.00 0.00 WAT +ATOM 51893 OH2 TIP3 15195 -35.295 43.646 17.280 1.00 0.00 WAT +ATOM 51894 H1 TIP3 15195 -35.567 43.022 16.583 1.00 0.00 WAT +ATOM 51895 H2 TIP3 15195 -34.629 43.186 17.794 1.00 0.00 WAT +ATOM 51896 OH2 TIP3 15196 -27.305 42.661 25.637 1.00 0.00 WAT +ATOM 51897 H1 TIP3 15196 -27.052 43.118 24.814 1.00 0.00 WAT +ATOM 51898 H2 TIP3 15196 -28.257 42.560 25.451 1.00 0.00 WAT +ATOM 51899 OH2 TIP3 15197 -30.778 35.578 15.412 1.00 0.00 WAT +ATOM 51900 H1 TIP3 15197 -31.634 35.870 15.022 1.00 0.00 WAT +ATOM 51901 H2 TIP3 15197 -30.397 36.438 15.689 1.00 0.00 WAT +ATOM 51902 OH2 TIP3 15198 -29.877 38.015 16.835 1.00 0.00 WAT +ATOM 51903 H1 TIP3 15198 -28.979 37.889 17.195 1.00 0.00 WAT +ATOM 51904 H2 TIP3 15198 -29.775 38.828 16.312 1.00 0.00 WAT +ATOM 51905 OH2 TIP3 15199 -39.741 42.136 22.270 1.00 0.00 WAT +ATOM 51906 H1 TIP3 15199 -38.864 42.330 21.885 1.00 0.00 WAT +ATOM 51907 H2 TIP3 15199 -39.503 41.670 23.090 1.00 0.00 WAT +ATOM 51908 OH2 TIP3 15200 -42.065 40.170 28.111 1.00 0.00 WAT +ATOM 51909 H1 TIP3 15200 -42.317 40.530 28.983 1.00 0.00 WAT +ATOM 51910 H2 TIP3 15200 -42.796 40.497 27.559 1.00 0.00 WAT +ATOM 51911 OH2 TIP3 15201 -35.413 40.508 30.066 1.00 0.00 WAT +ATOM 51912 H1 TIP3 15201 -35.800 40.261 29.207 1.00 0.00 WAT +ATOM 51913 H2 TIP3 15201 -34.475 40.281 29.929 1.00 0.00 WAT +ATOM 51914 OH2 TIP3 15202 -25.367 38.004 16.539 1.00 0.00 WAT +ATOM 51915 H1 TIP3 15202 -25.906 37.867 15.733 1.00 0.00 WAT +ATOM 51916 H2 TIP3 15202 -25.209 38.970 16.418 1.00 0.00 WAT +ATOM 51917 OH2 TIP3 15203 -29.890 41.804 24.319 1.00 0.00 WAT +ATOM 51918 H1 TIP3 15203 -30.800 41.829 23.983 1.00 0.00 WAT +ATOM 51919 H2 TIP3 15203 -29.410 41.353 23.608 1.00 0.00 WAT +ATOM 51920 OH2 TIP3 15204 -41.583 40.983 14.767 1.00 0.00 WAT +ATOM 51921 H1 TIP3 15204 -40.842 41.487 15.141 1.00 0.00 WAT +ATOM 51922 H2 TIP3 15204 -42.303 41.619 14.918 1.00 0.00 WAT +ATOM 51923 OH2 TIP3 15205 -41.038 35.646 27.628 1.00 0.00 WAT +ATOM 51924 H1 TIP3 15205 -41.849 36.176 27.688 1.00 0.00 WAT +ATOM 51925 H2 TIP3 15205 -41.241 34.851 28.152 1.00 0.00 WAT +ATOM 51926 OH2 TIP3 15206 -39.593 -43.932 16.382 1.00 0.00 WAT +ATOM 51927 H1 TIP3 15206 -40.507 -43.581 16.440 1.00 0.00 WAT +ATOM 51928 H2 TIP3 15206 -39.110 -43.121 16.163 1.00 0.00 WAT +ATOM 51929 OH2 TIP3 15207 -32.070 35.452 26.185 1.00 0.00 WAT +ATOM 51930 H1 TIP3 15207 -31.501 35.786 26.896 1.00 0.00 WAT +ATOM 51931 H2 TIP3 15207 -32.590 34.757 26.633 1.00 0.00 WAT +ATOM 51932 OH2 TIP3 15208 -33.965 36.868 18.391 1.00 0.00 WAT +ATOM 51933 H1 TIP3 15208 -33.232 37.497 18.560 1.00 0.00 WAT +ATOM 51934 H2 TIP3 15208 -34.250 36.658 19.303 1.00 0.00 WAT +ATOM 51935 OH2 TIP3 15209 -33.637 37.894 27.587 1.00 0.00 WAT +ATOM 51936 H1 TIP3 15209 -33.637 38.412 28.409 1.00 0.00 WAT +ATOM 51937 H2 TIP3 15209 -33.150 37.106 27.859 1.00 0.00 WAT +ATOM 51938 OH2 TIP3 15210 -37.782 34.953 15.973 1.00 0.00 WAT +ATOM 51939 H1 TIP3 15210 -37.642 35.786 16.464 1.00 0.00 WAT +ATOM 51940 H2 TIP3 15210 -36.968 34.457 16.137 1.00 0.00 WAT +ATOM 51941 OH2 TIP3 15211 -27.413 35.834 28.464 1.00 0.00 WAT +ATOM 51942 H1 TIP3 15211 -28.369 35.969 28.311 1.00 0.00 WAT +ATOM 51943 H2 TIP3 15211 -27.141 35.647 27.554 1.00 0.00 WAT +ATOM 51944 OH2 TIP3 15212 -28.888 39.656 22.418 1.00 0.00 WAT +ATOM 51945 H1 TIP3 15212 -29.711 39.189 22.200 1.00 0.00 WAT +ATOM 51946 H2 TIP3 15212 -28.408 38.991 22.952 1.00 0.00 WAT +ATOM 51947 OH2 TIP3 15213 -41.153 37.974 14.140 1.00 0.00 WAT +ATOM 51948 H1 TIP3 15213 -41.095 38.923 14.325 1.00 0.00 WAT +ATOM 51949 H2 TIP3 15213 -41.953 37.883 13.612 1.00 0.00 WAT +ATOM 51950 OH2 TIP3 15214 -40.219 32.923 22.815 1.00 0.00 WAT +ATOM 51951 H1 TIP3 15214 -40.599 32.945 21.919 1.00 0.00 WAT +ATOM 51952 H2 TIP3 15214 -40.680 32.155 23.213 1.00 0.00 WAT +ATOM 51953 OH2 TIP3 15215 -42.145 43.290 31.240 1.00 0.00 WAT +ATOM 51954 H1 TIP3 15215 -42.226 42.336 31.072 1.00 0.00 WAT +ATOM 51955 H2 TIP3 15215 -43.067 43.523 31.028 1.00 0.00 WAT +ATOM 51956 OH2 TIP3 15216 -35.853 43.288 30.445 1.00 0.00 WAT +ATOM 51957 H1 TIP3 15216 -35.848 43.449 29.481 1.00 0.00 WAT +ATOM 51958 H2 TIP3 15216 -35.519 42.369 30.485 1.00 0.00 WAT +ATOM 51959 OH2 TIP3 15217 -29.847 -43.760 28.190 1.00 0.00 WAT +ATOM 51960 H1 TIP3 15217 -29.058 -43.316 27.846 1.00 0.00 WAT +ATOM 51961 H2 TIP3 15217 -30.532 -43.107 27.999 1.00 0.00 WAT +ATOM 51962 OH2 TIP3 15218 -41.241 40.386 30.779 1.00 0.00 WAT +ATOM 51963 H1 TIP3 15218 -40.552 39.714 30.646 1.00 0.00 WAT +ATOM 51964 H2 TIP3 15218 -41.376 40.395 31.728 1.00 0.00 WAT +ATOM 51965 OH2 TIP3 15219 -36.612 41.606 15.700 1.00 0.00 WAT +ATOM 51966 H1 TIP3 15219 -37.271 41.211 16.284 1.00 0.00 WAT +ATOM 51967 H2 TIP3 15219 -36.473 40.911 15.032 1.00 0.00 WAT +ATOM 51968 OH2 TIP3 15220 -37.403 39.353 28.100 1.00 0.00 WAT +ATOM 51969 H1 TIP3 15220 -38.074 40.052 28.215 1.00 0.00 WAT +ATOM 51970 H2 TIP3 15220 -36.855 39.722 27.387 1.00 0.00 WAT +ATOM 51971 OH2 TIP3 15221 -35.782 39.536 13.966 1.00 0.00 WAT +ATOM 51972 H1 TIP3 15221 -35.805 39.731 13.008 1.00 0.00 WAT +ATOM 51973 H2 TIP3 15221 -34.825 39.584 14.146 1.00 0.00 WAT +ATOM 51974 OH2 TIP3 15222 -32.182 42.163 31.569 1.00 0.00 WAT +ATOM 51975 H1 TIP3 15222 -31.305 41.948 31.232 1.00 0.00 WAT +ATOM 51976 H2 TIP3 15222 -32.520 41.309 31.850 1.00 0.00 WAT +ATOM 51977 OH2 TIP3 15223 -26.634 42.185 13.005 1.00 0.00 WAT +ATOM 51978 H1 TIP3 15223 -26.012 41.723 12.439 1.00 0.00 WAT +ATOM 51979 H2 TIP3 15223 -26.128 42.983 13.265 1.00 0.00 WAT +ATOM 51980 OH2 TIP3 15224 -36.900 36.631 29.151 1.00 0.00 WAT +ATOM 51981 H1 TIP3 15224 -36.844 35.986 28.425 1.00 0.00 WAT +ATOM 51982 H2 TIP3 15224 -37.125 37.450 28.673 1.00 0.00 WAT +ATOM 51983 OH2 TIP3 15225 -36.554 35.068 26.567 1.00 0.00 WAT +ATOM 51984 H1 TIP3 15225 -36.054 35.650 25.963 1.00 0.00 WAT +ATOM 51985 H2 TIP3 15225 -37.476 35.154 26.248 1.00 0.00 WAT +ATOM 51986 OH2 TIP3 15226 -35.041 40.670 26.898 1.00 0.00 WAT +ATOM 51987 H1 TIP3 15226 -34.203 40.572 26.418 1.00 0.00 WAT +ATOM 51988 H2 TIP3 15226 -35.416 41.476 26.502 1.00 0.00 WAT +ATOM 51989 OH2 TIP3 15227 -30.433 38.485 31.750 1.00 0.00 WAT +ATOM 51990 H1 TIP3 15227 -30.234 37.557 31.952 1.00 0.00 WAT +ATOM 51991 H2 TIP3 15227 -29.544 38.872 31.740 1.00 0.00 WAT +ATOM 51992 OH2 TIP3 15228 -29.473 41.363 30.131 1.00 0.00 WAT +ATOM 51993 H1 TIP3 15228 -29.713 42.082 29.502 1.00 0.00 WAT +ATOM 51994 H2 TIP3 15228 -28.562 41.182 29.842 1.00 0.00 WAT +ATOM 51995 OH2 TIP3 15229 -38.739 38.489 31.015 1.00 0.00 WAT +ATOM 51996 H1 TIP3 15229 -39.289 37.692 30.908 1.00 0.00 WAT +ATOM 51997 H2 TIP3 15229 -37.958 38.264 30.487 1.00 0.00 WAT +ATOM 51998 OH2 TIP3 15230 -35.844 32.407 26.918 1.00 0.00 WAT +ATOM 51999 H1 TIP3 15230 -36.010 33.365 26.773 1.00 0.00 WAT +ATOM 52000 H2 TIP3 15230 -36.589 32.019 26.419 1.00 0.00 WAT +ATOM 52001 OH2 TIP3 15231 -34.567 36.998 30.727 1.00 0.00 WAT +ATOM 52002 H1 TIP3 15231 -34.915 36.812 31.617 1.00 0.00 WAT +ATOM 52003 H2 TIP3 15231 -35.375 36.818 30.200 1.00 0.00 WAT +ATOM 52004 OH2 TIP3 15232 -32.071 36.032 29.586 1.00 0.00 WAT +ATOM 52005 H1 TIP3 15232 -32.937 36.128 30.027 1.00 0.00 WAT +ATOM 52006 H2 TIP3 15232 -31.601 35.437 30.202 1.00 0.00 WAT +ATOM 52007 OH2 TIP3 15233 -30.212 34.525 31.325 1.00 0.00 WAT +ATOM 52008 H1 TIP3 15233 -30.367 33.580 31.514 1.00 0.00 WAT +ATOM 52009 H2 TIP3 15233 -30.383 34.958 32.183 1.00 0.00 WAT +ATOM 52010 OH2 TIP3 15234 -40.135 35.986 30.784 1.00 0.00 WAT +ATOM 52011 H1 TIP3 15234 -40.179 35.269 30.133 1.00 0.00 WAT +ATOM 52012 H2 TIP3 15234 -40.327 35.514 31.615 1.00 0.00 WAT +ATOM 52013 OH2 TIP3 15235 -36.026 31.923 29.766 1.00 0.00 WAT +ATOM 52014 H1 TIP3 15235 -35.433 31.160 29.834 1.00 0.00 WAT +ATOM 52015 H2 TIP3 15235 -36.039 32.078 28.803 1.00 0.00 WAT +ATOM 52016 OH2 TIP3 15236 -35.061 33.778 31.610 1.00 0.00 WAT +ATOM 52017 H1 TIP3 15236 -35.411 33.195 30.906 1.00 0.00 WAT +ATOM 52018 H2 TIP3 15236 -35.733 34.479 31.656 1.00 0.00 WAT +ATOM 52019 OH2 TIP3 15237 -25.666 43.636 17.609 1.00 0.00 WAT +ATOM 52020 H1 TIP3 15237 -24.744 43.615 17.311 1.00 0.00 WAT +ATOM 52021 H2 TIP3 15237 -25.814 42.745 17.962 1.00 0.00 WAT +ATOM 52022 OH2 TIP3 15238 -25.290 41.305 19.261 1.00 0.00 WAT +ATOM 52023 H1 TIP3 15238 -26.075 40.875 19.651 1.00 0.00 WAT +ATOM 52024 H2 TIP3 15238 -24.742 41.520 20.035 1.00 0.00 WAT +ATOM 52025 OH2 TIP3 15239 -25.138 40.746 15.916 1.00 0.00 WAT +ATOM 52026 H1 TIP3 15239 -25.268 41.045 15.004 1.00 0.00 WAT +ATOM 52027 H2 TIP3 15239 -24.845 41.564 16.329 1.00 0.00 WAT +ATOM 52028 OH2 TIP3 15240 -26.860 38.422 14.099 1.00 0.00 WAT +ATOM 52029 H1 TIP3 15240 -26.626 39.089 13.435 1.00 0.00 WAT +ATOM 52030 H2 TIP3 15240 -27.067 37.640 13.555 1.00 0.00 WAT +ATOM 52031 OH2 TIP3 15241 -27.586 39.639 19.985 1.00 0.00 WAT +ATOM 52032 H1 TIP3 15241 -27.600 38.678 19.850 1.00 0.00 WAT +ATOM 52033 H2 TIP3 15241 -27.942 39.724 20.895 1.00 0.00 WAT +ATOM 52034 OH2 TIP3 15242 -42.460 42.172 23.816 1.00 0.00 WAT +ATOM 52035 H1 TIP3 15242 -42.292 41.775 22.959 1.00 0.00 WAT +ATOM 52036 H2 TIP3 15242 -41.821 41.714 24.397 1.00 0.00 WAT +ATOM 52037 OH2 TIP3 15243 -26.713 41.603 29.192 1.00 0.00 WAT +ATOM 52038 H1 TIP3 15243 -25.990 41.009 29.479 1.00 0.00 WAT +ATOM 52039 H2 TIP3 15243 -26.274 42.442 28.965 1.00 0.00 WAT +ATOM 52040 OH2 TIP3 15244 -25.288 39.654 30.368 1.00 0.00 WAT +ATOM 52041 H1 TIP3 15244 -26.099 39.130 30.193 1.00 0.00 WAT +ATOM 52042 H2 TIP3 15244 -24.609 38.957 30.409 1.00 0.00 WAT +ATOM 52043 OH2 TIP3 15245 -27.408 35.761 13.297 1.00 0.00 WAT +ATOM 52044 H1 TIP3 15245 -26.818 35.271 13.897 1.00 0.00 WAT +ATOM 52045 H2 TIP3 15245 -28.190 35.198 13.222 1.00 0.00 WAT +ATOM 52046 OH2 TIP3 15246 -27.542 37.026 18.256 1.00 0.00 WAT +ATOM 52047 H1 TIP3 15246 -27.315 36.080 18.280 1.00 0.00 WAT +ATOM 52048 H2 TIP3 15246 -26.742 37.408 17.849 1.00 0.00 WAT +ATOM 52049 OH2 TIP3 15247 -27.373 37.647 23.671 1.00 0.00 WAT +ATOM 52050 H1 TIP3 15247 -26.406 37.790 23.640 1.00 0.00 WAT +ATOM 52051 H2 TIP3 15247 -27.522 37.729 24.629 1.00 0.00 WAT +ATOM 52052 OH2 TIP3 15248 -27.202 38.371 26.490 1.00 0.00 WAT +ATOM 52053 H1 TIP3 15248 -28.058 38.759 26.750 1.00 0.00 WAT +ATOM 52054 H2 TIP3 15248 -26.687 39.172 26.264 1.00 0.00 WAT +ATOM 52055 OH2 TIP3 15249 -42.957 36.994 29.758 1.00 0.00 WAT +ATOM 52056 H1 TIP3 15249 -42.082 36.876 30.148 1.00 0.00 WAT +ATOM 52057 H2 TIP3 15249 -43.560 36.544 30.367 1.00 0.00 WAT +ATOM 52058 OH2 TIP3 15250 -24.634 32.529 31.793 1.00 0.00 WAT +ATOM 52059 H1 TIP3 15250 -24.225 31.836 31.242 1.00 0.00 WAT +ATOM 52060 H2 TIP3 15250 -24.612 33.303 31.198 1.00 0.00 WAT +ATOM 52061 OH2 TIP3 15251 -27.344 34.053 18.165 1.00 0.00 WAT +ATOM 52062 H1 TIP3 15251 -27.026 33.901 19.077 1.00 0.00 WAT +ATOM 52063 H2 TIP3 15251 -28.139 33.515 18.156 1.00 0.00 WAT +ATOM 52064 OH2 TIP3 15252 -41.938 35.524 23.102 1.00 0.00 WAT +ATOM 52065 H1 TIP3 15252 -41.584 34.639 23.264 1.00 0.00 WAT +ATOM 52066 H2 TIP3 15252 -41.226 36.092 23.449 1.00 0.00 WAT +ATOM 52067 OH2 TIP3 15253 -43.332 38.069 24.027 1.00 0.00 WAT +ATOM 52068 H1 TIP3 15253 -42.796 37.796 23.267 1.00 0.00 WAT +ATOM 52069 H2 TIP3 15253 -43.237 39.027 24.004 1.00 0.00 WAT +ATOM 52070 OH2 TIP3 15254 -25.255 34.576 30.030 1.00 0.00 WAT +ATOM 52071 H1 TIP3 15254 -26.133 34.995 30.107 1.00 0.00 WAT +ATOM 52072 H2 TIP3 15254 -25.393 34.034 29.234 1.00 0.00 WAT +ATOM 52073 OH2 TIP3 15255 -25.222 34.673 14.930 1.00 0.00 WAT +ATOM 52074 H1 TIP3 15255 -24.841 33.934 14.425 1.00 0.00 WAT +ATOM 52075 H2 TIP3 15255 -24.458 35.269 15.019 1.00 0.00 WAT +ATOM 52076 OH2 TIP3 15256 -43.167 34.294 17.639 1.00 0.00 WAT +ATOM 52077 H1 TIP3 15256 -44.007 34.591 17.257 1.00 0.00 WAT +ATOM 52078 H2 TIP3 15256 -42.570 34.996 17.289 1.00 0.00 WAT +ATOM 52079 OH2 TIP3 15257 -42.940 33.224 25.947 1.00 0.00 WAT +ATOM 52080 H1 TIP3 15257 -43.591 33.188 26.687 1.00 0.00 WAT +ATOM 52081 H2 TIP3 15257 -43.366 33.766 25.268 1.00 0.00 WAT +ATOM 52082 OH2 TIP3 15258 -26.407 32.801 28.009 1.00 0.00 WAT +ATOM 52083 H1 TIP3 15258 -27.196 33.030 27.490 1.00 0.00 WAT +ATOM 52084 H2 TIP3 15258 -26.194 31.905 27.673 1.00 0.00 WAT +ATOM 52085 OH2 TIP3 15259 -32.891 34.279 22.338 1.00 0.00 WAT +ATOM 52086 H1 TIP3 15259 -33.586 33.616 22.499 1.00 0.00 WAT +ATOM 52087 H2 TIP3 15259 -32.244 33.788 21.800 1.00 0.00 WAT +ATOM 52088 OH2 TIP3 15260 -27.988 32.282 22.900 1.00 0.00 WAT +ATOM 52089 H1 TIP3 15260 -27.225 32.782 22.563 1.00 0.00 WAT +ATOM 52090 H2 TIP3 15260 -28.724 32.700 22.430 1.00 0.00 WAT +ATOM 52091 OH2 TIP3 15261 -26.021 33.460 20.669 1.00 0.00 WAT +ATOM 52092 H1 TIP3 15261 -25.247 33.029 20.260 1.00 0.00 WAT +ATOM 52093 H2 TIP3 15261 -25.665 34.360 20.837 1.00 0.00 WAT +ATOM 52094 OH2 TIP3 15262 -41.045 32.881 19.989 1.00 0.00 WAT +ATOM 52095 H1 TIP3 15262 -41.803 32.606 19.458 1.00 0.00 WAT +ATOM 52096 H2 TIP3 15262 -40.468 32.100 19.919 1.00 0.00 WAT +ATOM 52097 OH2 TIP3 15263 -41.807 32.491 15.835 1.00 0.00 WAT +ATOM 52098 H1 TIP3 15263 -41.313 33.163 15.326 1.00 0.00 WAT +ATOM 52099 H2 TIP3 15263 -42.341 33.056 16.424 1.00 0.00 WAT +ATOM 52100 OH2 TIP3 15264 -35.944 32.842 19.857 1.00 0.00 WAT +ATOM 52101 H1 TIP3 15264 -35.144 33.356 20.018 1.00 0.00 WAT +ATOM 52102 H2 TIP3 15264 -36.274 32.772 20.763 1.00 0.00 WAT +ATOM 52103 OH2 TIP3 15265 -30.644 32.830 21.239 1.00 0.00 WAT +ATOM 52104 H1 TIP3 15265 -30.205 32.602 20.410 1.00 0.00 WAT +ATOM 52105 H2 TIP3 15265 -30.917 31.958 21.568 1.00 0.00 WAT +ATOM 52106 OH2 TIP3 15266 -40.065 34.352 14.376 1.00 0.00 WAT +ATOM 52107 H1 TIP3 15266 -39.477 33.795 13.839 1.00 0.00 WAT +ATOM 52108 H2 TIP3 15266 -39.454 34.663 15.071 1.00 0.00 WAT +ATOM 52109 OH2 TIP3 15267 -34.383 34.305 17.149 1.00 0.00 WAT +ATOM 52110 H1 TIP3 15267 -34.908 33.806 17.793 1.00 0.00 WAT +ATOM 52111 H2 TIP3 15267 -34.646 35.223 17.360 1.00 0.00 WAT +ATOM 52112 OH2 TIP3 15268 -40.799 33.258 29.532 1.00 0.00 WAT +ATOM 52113 H1 TIP3 15268 -41.252 32.501 29.941 1.00 0.00 WAT +ATOM 52114 H2 TIP3 15268 -39.890 33.126 29.853 1.00 0.00 WAT +ATOM 52115 OH2 TIP3 15269 -38.447 32.634 31.293 1.00 0.00 WAT +ATOM 52116 H1 TIP3 15269 -37.625 32.271 30.906 1.00 0.00 WAT +ATOM 52117 H2 TIP3 15269 -38.790 31.854 31.762 1.00 0.00 WAT +ATOM 52118 OH2 TIP3 15270 -30.319 31.712 31.426 1.00 0.00 WAT +ATOM 52119 H1 TIP3 15270 -30.305 31.314 32.318 1.00 0.00 WAT +ATOM 52120 H2 TIP3 15270 -29.370 31.717 31.204 1.00 0.00 WAT +ATOM 52121 OH2 TIP3 15271 -12.729 42.048 20.114 1.00 0.00 WAT +ATOM 52122 H1 TIP3 15271 -13.047 42.958 20.079 1.00 0.00 WAT +ATOM 52123 H2 TIP3 15271 -13.456 41.590 19.666 1.00 0.00 WAT +ATOM 52124 OH2 TIP3 15272 -13.898 41.326 23.386 1.00 0.00 WAT +ATOM 52125 H1 TIP3 15272 -13.892 40.790 24.194 1.00 0.00 WAT +ATOM 52126 H2 TIP3 15272 -14.183 40.694 22.716 1.00 0.00 WAT +ATOM 52127 OH2 TIP3 15273 -21.482 40.811 24.991 1.00 0.00 WAT +ATOM 52128 H1 TIP3 15273 -21.495 40.078 25.630 1.00 0.00 WAT +ATOM 52129 H2 TIP3 15273 -20.746 41.337 25.331 1.00 0.00 WAT +ATOM 52130 OH2 TIP3 15274 -23.806 38.833 18.958 1.00 0.00 WAT +ATOM 52131 H1 TIP3 15274 -24.192 39.728 18.984 1.00 0.00 WAT +ATOM 52132 H2 TIP3 15274 -24.482 38.362 18.457 1.00 0.00 WAT +ATOM 52133 OH2 TIP3 15275 -22.825 41.347 20.835 1.00 0.00 WAT +ATOM 52134 H1 TIP3 15275 -22.834 40.520 21.353 1.00 0.00 WAT +ATOM 52135 H2 TIP3 15275 -22.072 41.183 20.256 1.00 0.00 WAT +ATOM 52136 OH2 TIP3 15276 -6.748 35.227 24.579 1.00 0.00 WAT +ATOM 52137 H1 TIP3 15276 -6.477 35.837 25.286 1.00 0.00 WAT +ATOM 52138 H2 TIP3 15276 -6.139 35.495 23.866 1.00 0.00 WAT +ATOM 52139 OH2 TIP3 15277 -12.088 38.019 24.468 1.00 0.00 WAT +ATOM 52140 H1 TIP3 15277 -11.962 37.055 24.463 1.00 0.00 WAT +ATOM 52141 H2 TIP3 15277 -12.190 38.199 23.521 1.00 0.00 WAT +ATOM 52142 OH2 TIP3 15278 -19.138 36.045 21.535 1.00 0.00 WAT +ATOM 52143 H1 TIP3 15278 -18.986 36.896 21.077 1.00 0.00 WAT +ATOM 52144 H2 TIP3 15278 -19.484 35.521 20.786 1.00 0.00 WAT +ATOM 52145 OH2 TIP3 15279 -11.285 36.237 19.845 1.00 0.00 WAT +ATOM 52146 H1 TIP3 15279 -10.700 35.802 20.505 1.00 0.00 WAT +ATOM 52147 H2 TIP3 15279 -10.628 36.670 19.282 1.00 0.00 WAT +ATOM 52148 OH2 TIP3 15280 -22.465 38.765 22.037 1.00 0.00 WAT +ATOM 52149 H1 TIP3 15280 -21.821 38.296 22.591 1.00 0.00 WAT +ATOM 52150 H2 TIP3 15280 -22.367 38.293 21.189 1.00 0.00 WAT +ATOM 52151 OH2 TIP3 15281 -17.034 40.189 21.513 1.00 0.00 WAT +ATOM 52152 H1 TIP3 15281 -16.363 39.599 21.912 1.00 0.00 WAT +ATOM 52153 H2 TIP3 15281 -17.576 39.547 21.014 1.00 0.00 WAT +ATOM 52154 OH2 TIP3 15282 -6.021 36.590 27.067 1.00 0.00 WAT +ATOM 52155 H1 TIP3 15282 -6.606 37.314 26.784 1.00 0.00 WAT +ATOM 52156 H2 TIP3 15282 -6.203 36.565 28.016 1.00 0.00 WAT +ATOM 52157 OH2 TIP3 15283 -20.339 34.843 25.684 1.00 0.00 WAT +ATOM 52158 H1 TIP3 15283 -20.737 35.348 24.959 1.00 0.00 WAT +ATOM 52159 H2 TIP3 15283 -20.997 34.995 26.393 1.00 0.00 WAT +ATOM 52160 OH2 TIP3 15284 -17.623 42.664 25.467 1.00 0.00 WAT +ATOM 52161 H1 TIP3 15284 -18.436 43.193 25.497 1.00 0.00 WAT +ATOM 52162 H2 TIP3 15284 -16.973 43.375 25.363 1.00 0.00 WAT +ATOM 52163 OH2 TIP3 15285 -9.459 35.478 21.867 1.00 0.00 WAT +ATOM 52164 H1 TIP3 15285 -9.807 34.830 22.492 1.00 0.00 WAT +ATOM 52165 H2 TIP3 15285 -8.941 36.062 22.446 1.00 0.00 WAT +ATOM 52166 OH2 TIP3 15286 -20.730 36.891 23.626 1.00 0.00 WAT +ATOM 52167 H1 TIP3 15286 -20.086 37.466 24.086 1.00 0.00 WAT +ATOM 52168 H2 TIP3 15286 -20.160 36.526 22.912 1.00 0.00 WAT +ATOM 52169 OH2 TIP3 15287 -9.361 34.722 25.734 1.00 0.00 WAT +ATOM 52170 H1 TIP3 15287 -10.125 34.985 25.183 1.00 0.00 WAT +ATOM 52171 H2 TIP3 15287 -8.618 34.819 25.107 1.00 0.00 WAT +ATOM 52172 OH2 TIP3 15288 -16.190 32.337 22.777 1.00 0.00 WAT +ATOM 52173 H1 TIP3 15288 -16.410 31.389 22.698 1.00 0.00 WAT +ATOM 52174 H2 TIP3 15288 -17.022 32.703 23.144 1.00 0.00 WAT +ATOM 52175 OH2 TIP3 15289 -14.227 41.448 17.513 1.00 0.00 WAT +ATOM 52176 H1 TIP3 15289 -14.882 41.787 16.887 1.00 0.00 WAT +ATOM 52177 H2 TIP3 15289 -13.459 41.338 16.925 1.00 0.00 WAT +ATOM 52178 OH2 TIP3 15290 -13.806 39.424 14.693 1.00 0.00 WAT +ATOM 52179 H1 TIP3 15290 -13.072 39.791 15.217 1.00 0.00 WAT +ATOM 52180 H2 TIP3 15290 -13.322 38.915 14.029 1.00 0.00 WAT +ATOM 52181 OH2 TIP3 15291 -6.690 40.563 25.763 1.00 0.00 WAT +ATOM 52182 H1 TIP3 15291 -7.367 41.266 25.851 1.00 0.00 WAT +ATOM 52183 H2 TIP3 15291 -6.184 40.919 25.001 1.00 0.00 WAT +ATOM 52184 OH2 TIP3 15292 -10.493 41.418 18.528 1.00 0.00 WAT +ATOM 52185 H1 TIP3 15292 -11.165 41.621 19.209 1.00 0.00 WAT +ATOM 52186 H2 TIP3 15292 -9.850 40.886 19.032 1.00 0.00 WAT +ATOM 52187 OH2 TIP3 15293 -10.769 39.688 27.479 1.00 0.00 WAT +ATOM 52188 H1 TIP3 15293 -10.756 40.448 28.086 1.00 0.00 WAT +ATOM 52189 H2 TIP3 15293 -11.336 40.053 26.773 1.00 0.00 WAT +ATOM 52190 OH2 TIP3 15294 -18.998 42.067 20.474 1.00 0.00 WAT +ATOM 52191 H1 TIP3 15294 -19.191 41.820 19.551 1.00 0.00 WAT +ATOM 52192 H2 TIP3 15294 -18.202 41.541 20.656 1.00 0.00 WAT +ATOM 52193 OH2 TIP3 15295 -18.420 40.649 23.888 1.00 0.00 WAT +ATOM 52194 H1 TIP3 15295 -17.875 40.730 23.081 1.00 0.00 WAT +ATOM 52195 H2 TIP3 15295 -18.123 41.418 24.419 1.00 0.00 WAT +ATOM 52196 OH2 TIP3 15296 -11.694 40.743 16.163 1.00 0.00 WAT +ATOM 52197 H1 TIP3 15296 -11.115 41.013 16.911 1.00 0.00 WAT +ATOM 52198 H2 TIP3 15296 -11.233 41.192 15.408 1.00 0.00 WAT +ATOM 52199 OH2 TIP3 15297 -20.577 41.452 27.734 1.00 0.00 WAT +ATOM 52200 H1 TIP3 15297 -20.465 42.095 28.472 1.00 0.00 WAT +ATOM 52201 H2 TIP3 15297 -21.548 41.389 27.707 1.00 0.00 WAT +ATOM 52202 OH2 TIP3 15298 -8.195 32.466 15.576 1.00 0.00 WAT +ATOM 52203 H1 TIP3 15298 -9.075 32.553 15.987 1.00 0.00 WAT +ATOM 52204 H2 TIP3 15298 -7.849 33.369 15.650 1.00 0.00 WAT +ATOM 52205 OH2 TIP3 15299 -20.082 40.784 18.016 1.00 0.00 WAT +ATOM 52206 H1 TIP3 15299 -20.251 41.598 17.493 1.00 0.00 WAT +ATOM 52207 H2 TIP3 15299 -20.684 40.159 17.593 1.00 0.00 WAT +ATOM 52208 OH2 TIP3 15300 -24.121 43.090 26.751 1.00 0.00 WAT +ATOM 52209 H1 TIP3 15300 -24.127 42.921 25.796 1.00 0.00 WAT +ATOM 52210 H2 TIP3 15300 -23.799 42.241 27.109 1.00 0.00 WAT +ATOM 52211 OH2 TIP3 15301 -8.914 38.330 29.817 1.00 0.00 WAT +ATOM 52212 H1 TIP3 15301 -9.252 38.765 29.023 1.00 0.00 WAT +ATOM 52213 H2 TIP3 15301 -8.753 37.419 29.504 1.00 0.00 WAT +ATOM 52214 OH2 TIP3 15302 -18.618 33.479 23.694 1.00 0.00 WAT +ATOM 52215 H1 TIP3 15302 -19.426 33.418 23.155 1.00 0.00 WAT +ATOM 52216 H2 TIP3 15302 -18.856 34.223 24.268 1.00 0.00 WAT +ATOM 52217 OH2 TIP3 15303 -14.233 33.080 27.367 1.00 0.00 WAT +ATOM 52218 H1 TIP3 15303 -13.721 32.502 27.965 1.00 0.00 WAT +ATOM 52219 H2 TIP3 15303 -15.140 32.724 27.446 1.00 0.00 WAT +ATOM 52220 OH2 TIP3 15304 -11.593 36.817 28.190 1.00 0.00 WAT +ATOM 52221 H1 TIP3 15304 -11.303 36.803 29.106 1.00 0.00 WAT +ATOM 52222 H2 TIP3 15304 -11.255 37.674 27.868 1.00 0.00 WAT +ATOM 52223 OH2 TIP3 15305 -10.296 41.757 14.103 1.00 0.00 WAT +ATOM 52224 H1 TIP3 15305 -10.368 41.589 13.147 1.00 0.00 WAT +ATOM 52225 H2 TIP3 15305 -9.401 42.144 14.161 1.00 0.00 WAT +ATOM 52226 OH2 TIP3 15306 -14.436 35.567 14.589 1.00 0.00 WAT +ATOM 52227 H1 TIP3 15306 -14.944 35.445 15.403 1.00 0.00 WAT +ATOM 52228 H2 TIP3 15306 -14.861 34.904 14.015 1.00 0.00 WAT +ATOM 52229 OH2 TIP3 15307 -18.734 38.239 25.156 1.00 0.00 WAT +ATOM 52230 H1 TIP3 15307 -19.395 38.376 25.856 1.00 0.00 WAT +ATOM 52231 H2 TIP3 15307 -18.660 39.137 24.756 1.00 0.00 WAT +ATOM 52232 OH2 TIP3 15308 -18.795 38.320 19.985 1.00 0.00 WAT +ATOM 52233 H1 TIP3 15308 -19.751 38.279 19.808 1.00 0.00 WAT +ATOM 52234 H2 TIP3 15308 -18.446 38.148 19.086 1.00 0.00 WAT +ATOM 52235 OH2 TIP3 15309 -13.199 39.005 18.781 1.00 0.00 WAT +ATOM 52236 H1 TIP3 15309 -13.677 39.745 18.362 1.00 0.00 WAT +ATOM 52237 H2 TIP3 15309 -12.541 38.784 18.098 1.00 0.00 WAT +ATOM 52238 OH2 TIP3 15310 -12.361 38.310 21.514 1.00 0.00 WAT +ATOM 52239 H1 TIP3 15310 -12.649 38.850 20.752 1.00 0.00 WAT +ATOM 52240 H2 TIP3 15310 -12.122 37.489 21.039 1.00 0.00 WAT +ATOM 52241 OH2 TIP3 15311 -21.336 38.401 26.884 1.00 0.00 WAT +ATOM 52242 H1 TIP3 15311 -21.194 38.805 27.748 1.00 0.00 WAT +ATOM 52243 H2 TIP3 15311 -21.720 37.541 27.129 1.00 0.00 WAT +ATOM 52244 OH2 TIP3 15312 -18.001 35.987 13.472 1.00 0.00 WAT +ATOM 52245 H1 TIP3 15312 -18.360 35.668 14.324 1.00 0.00 WAT +ATOM 52246 H2 TIP3 15312 -18.805 36.202 12.984 1.00 0.00 WAT +ATOM 52247 OH2 TIP3 15313 -24.599 35.843 20.604 1.00 0.00 WAT +ATOM 52248 H1 TIP3 15313 -23.961 35.886 21.340 1.00 0.00 WAT +ATOM 52249 H2 TIP3 15313 -24.056 35.545 19.860 1.00 0.00 WAT +ATOM 52250 OH2 TIP3 15314 -23.031 36.372 16.198 1.00 0.00 WAT +ATOM 52251 H1 TIP3 15314 -22.465 36.896 15.593 1.00 0.00 WAT +ATOM 52252 H2 TIP3 15314 -23.702 37.042 16.415 1.00 0.00 WAT +ATOM 52253 OH2 TIP3 15315 -13.372 39.959 25.958 1.00 0.00 WAT +ATOM 52254 H1 TIP3 15315 -12.846 39.301 25.452 1.00 0.00 WAT +ATOM 52255 H2 TIP3 15315 -13.723 39.408 26.675 1.00 0.00 WAT +ATOM 52256 OH2 TIP3 15316 -16.036 35.957 21.010 1.00 0.00 WAT +ATOM 52257 H1 TIP3 15316 -16.985 35.902 21.209 1.00 0.00 WAT +ATOM 52258 H2 TIP3 15316 -15.641 35.730 21.868 1.00 0.00 WAT +ATOM 52259 OH2 TIP3 15317 -21.533 37.141 19.711 1.00 0.00 WAT +ATOM 52260 H1 TIP3 15317 -22.292 37.454 19.188 1.00 0.00 WAT +ATOM 52261 H2 TIP3 15317 -21.188 36.391 19.191 1.00 0.00 WAT +ATOM 52262 OH2 TIP3 15318 -17.851 37.512 17.377 1.00 0.00 WAT +ATOM 52263 H1 TIP3 15318 -16.885 37.610 17.370 1.00 0.00 WAT +ATOM 52264 H2 TIP3 15318 -18.146 38.057 16.621 1.00 0.00 WAT +ATOM 52265 OH2 TIP3 15319 -11.668 35.080 24.054 1.00 0.00 WAT +ATOM 52266 H1 TIP3 15319 -12.356 35.088 24.753 1.00 0.00 WAT +ATOM 52267 H2 TIP3 15319 -12.191 34.727 23.312 1.00 0.00 WAT +ATOM 52268 OH2 TIP3 15320 -19.333 38.674 15.179 1.00 0.00 WAT +ATOM 52269 H1 TIP3 15320 -20.033 38.583 14.514 1.00 0.00 WAT +ATOM 52270 H2 TIP3 15320 -18.578 38.934 14.617 1.00 0.00 WAT +ATOM 52271 OH2 TIP3 15321 -20.464 43.164 29.780 1.00 0.00 WAT +ATOM 52272 H1 TIP3 15321 -19.910 43.641 30.431 1.00 0.00 WAT +ATOM 52273 H2 TIP3 15321 -21.279 43.036 30.316 1.00 0.00 WAT +ATOM 52274 OH2 TIP3 15322 -15.034 38.503 22.844 1.00 0.00 WAT +ATOM 52275 H1 TIP3 15322 -14.313 38.066 22.366 1.00 0.00 WAT +ATOM 52276 H2 TIP3 15322 -15.187 37.885 23.586 1.00 0.00 WAT +ATOM 52277 OH2 TIP3 15323 -19.742 34.907 19.001 1.00 0.00 WAT +ATOM 52278 H1 TIP3 15323 -20.268 34.101 19.133 1.00 0.00 WAT +ATOM 52279 H2 TIP3 15323 -18.933 34.559 18.599 1.00 0.00 WAT +ATOM 52280 OH2 TIP3 15324 -16.060 36.979 25.093 1.00 0.00 WAT +ATOM 52281 H1 TIP3 15324 -16.853 37.542 25.101 1.00 0.00 WAT +ATOM 52282 H2 TIP3 15324 -15.584 37.250 25.897 1.00 0.00 WAT +ATOM 52283 OH2 TIP3 15325 -16.313 43.656 17.181 1.00 0.00 WAT +ATOM 52284 H1 TIP3 15325 -16.777 43.001 16.622 1.00 0.00 WAT +ATOM 52285 H2 TIP3 15325 -15.863 43.123 17.840 1.00 0.00 WAT +ATOM 52286 OH2 TIP3 15326 -8.422 42.706 25.668 1.00 0.00 WAT +ATOM 52287 H1 TIP3 15326 -8.201 43.111 24.807 1.00 0.00 WAT +ATOM 52288 H2 TIP3 15326 -9.376 42.574 25.504 1.00 0.00 WAT +ATOM 52289 OH2 TIP3 15327 -11.763 36.168 14.736 1.00 0.00 WAT +ATOM 52290 H1 TIP3 15327 -12.745 36.133 14.692 1.00 0.00 WAT +ATOM 52291 H2 TIP3 15327 -11.592 36.895 15.365 1.00 0.00 WAT +ATOM 52292 OH2 TIP3 15328 -11.085 37.982 16.824 1.00 0.00 WAT +ATOM 52293 H1 TIP3 15328 -10.197 37.811 17.194 1.00 0.00 WAT +ATOM 52294 H2 TIP3 15328 -10.966 38.842 16.384 1.00 0.00 WAT +ATOM 52295 OH2 TIP3 15329 -20.442 42.522 22.731 1.00 0.00 WAT +ATOM 52296 H1 TIP3 15329 -19.911 42.426 21.910 1.00 0.00 WAT +ATOM 52297 H2 TIP3 15329 -20.432 41.617 23.073 1.00 0.00 WAT +ATOM 52298 OH2 TIP3 15330 -23.441 40.779 27.999 1.00 0.00 WAT +ATOM 52299 H1 TIP3 15330 -23.370 40.432 28.910 1.00 0.00 WAT +ATOM 52300 H2 TIP3 15330 -24.214 40.311 27.644 1.00 0.00 WAT +ATOM 52301 OH2 TIP3 15331 -16.416 40.356 30.053 1.00 0.00 WAT +ATOM 52302 H1 TIP3 15331 -16.791 40.226 29.164 1.00 0.00 WAT +ATOM 52303 H2 TIP3 15331 -15.473 40.440 29.869 1.00 0.00 WAT +ATOM 52304 OH2 TIP3 15332 -6.500 37.974 16.533 1.00 0.00 WAT +ATOM 52305 H1 TIP3 15332 -7.048 37.776 15.747 1.00 0.00 WAT +ATOM 52306 H2 TIP3 15332 -6.375 38.931 16.383 1.00 0.00 WAT +ATOM 52307 OH2 TIP3 15333 -11.019 41.796 24.321 1.00 0.00 WAT +ATOM 52308 H1 TIP3 15333 -11.933 41.833 23.995 1.00 0.00 WAT +ATOM 52309 H2 TIP3 15333 -10.561 41.331 23.603 1.00 0.00 WAT +ATOM 52310 OH2 TIP3 15334 -22.216 35.650 27.678 1.00 0.00 WAT +ATOM 52311 H1 TIP3 15334 -23.124 35.898 27.414 1.00 0.00 WAT +ATOM 52312 H2 TIP3 15334 -22.361 34.774 28.078 1.00 0.00 WAT +ATOM 52313 OH2 TIP3 15335 -20.767 -43.889 16.693 1.00 0.00 WAT +ATOM 52314 H1 TIP3 15335 -21.723 -43.694 16.584 1.00 0.00 WAT +ATOM 52315 H2 TIP3 15335 -20.395 -43.259 16.066 1.00 0.00 WAT +ATOM 52316 OH2 TIP3 15336 -13.290 35.527 26.244 1.00 0.00 WAT +ATOM 52317 H1 TIP3 15336 -12.659 35.770 26.942 1.00 0.00 WAT +ATOM 52318 H2 TIP3 15336 -13.748 34.747 26.613 1.00 0.00 WAT +ATOM 52319 OH2 TIP3 15337 -12.621 34.928 17.476 1.00 0.00 WAT +ATOM 52320 H1 TIP3 15337 -12.438 35.446 16.677 1.00 0.00 WAT +ATOM 52321 H2 TIP3 15337 -12.146 35.428 18.159 1.00 0.00 WAT +ATOM 52322 OH2 TIP3 15338 -15.167 36.916 18.424 1.00 0.00 WAT +ATOM 52323 H1 TIP3 15338 -14.411 37.511 18.581 1.00 0.00 WAT +ATOM 52324 H2 TIP3 15338 -15.489 36.757 19.331 1.00 0.00 WAT +ATOM 52325 OH2 TIP3 15339 -14.699 38.011 27.689 1.00 0.00 WAT +ATOM 52326 H1 TIP3 15339 -14.659 38.355 28.588 1.00 0.00 WAT +ATOM 52327 H2 TIP3 15339 -14.164 37.208 27.724 1.00 0.00 WAT +ATOM 52328 OH2 TIP3 15340 -14.606 33.938 19.367 1.00 0.00 WAT +ATOM 52329 H1 TIP3 15340 -14.808 34.646 20.006 1.00 0.00 WAT +ATOM 52330 H2 TIP3 15340 -13.880 34.343 18.851 1.00 0.00 WAT +ATOM 52331 OH2 TIP3 15341 -18.882 34.944 15.891 1.00 0.00 WAT +ATOM 52332 H1 TIP3 15341 -18.855 35.721 16.475 1.00 0.00 WAT +ATOM 52333 H2 TIP3 15341 -18.061 34.482 16.156 1.00 0.00 WAT +ATOM 52334 OH2 TIP3 15342 -8.663 35.904 28.430 1.00 0.00 WAT +ATOM 52335 H1 TIP3 15342 -9.606 35.832 28.240 1.00 0.00 WAT +ATOM 52336 H2 TIP3 15342 -8.315 35.646 27.561 1.00 0.00 WAT +ATOM 52337 OH2 TIP3 15343 -10.022 39.678 22.426 1.00 0.00 WAT +ATOM 52338 H1 TIP3 15343 -10.860 39.233 22.211 1.00 0.00 WAT +ATOM 52339 H2 TIP3 15343 -9.549 38.989 22.940 1.00 0.00 WAT +ATOM 52340 OH2 TIP3 15344 -22.409 38.311 14.156 1.00 0.00 WAT +ATOM 52341 H1 TIP3 15344 -22.206 39.248 13.970 1.00 0.00 WAT +ATOM 52342 H2 TIP3 15344 -23.235 38.224 13.671 1.00 0.00 WAT +ATOM 52343 OH2 TIP3 15345 -21.416 33.044 22.862 1.00 0.00 WAT +ATOM 52344 H1 TIP3 15345 -21.584 33.024 21.897 1.00 0.00 WAT +ATOM 52345 H2 TIP3 15345 -21.739 32.172 23.154 1.00 0.00 WAT +ATOM 52346 OH2 TIP3 15346 -22.906 43.069 30.900 1.00 0.00 WAT +ATOM 52347 H1 TIP3 15346 -23.143 42.128 30.973 1.00 0.00 WAT +ATOM 52348 H2 TIP3 15346 -23.727 43.516 30.680 1.00 0.00 WAT +ATOM 52349 OH2 TIP3 15347 -17.039 43.224 30.453 1.00 0.00 WAT +ATOM 52350 H1 TIP3 15347 -17.009 43.413 29.493 1.00 0.00 WAT +ATOM 52351 H2 TIP3 15347 -16.623 42.345 30.501 1.00 0.00 WAT +ATOM 52352 OH2 TIP3 15348 -10.987 -43.731 28.208 1.00 0.00 WAT +ATOM 52353 H1 TIP3 15348 -10.249 -43.262 27.800 1.00 0.00 WAT +ATOM 52354 H2 TIP3 15348 -11.729 -43.159 27.973 1.00 0.00 WAT +ATOM 52355 OH2 TIP3 15349 -22.338 40.232 30.636 1.00 0.00 WAT +ATOM 52356 H1 TIP3 15349 -21.566 39.646 30.581 1.00 0.00 WAT +ATOM 52357 H2 TIP3 15349 -22.331 40.455 31.585 1.00 0.00 WAT +ATOM 52358 OH2 TIP3 15350 -17.695 41.572 15.818 1.00 0.00 WAT +ATOM 52359 H1 TIP3 15350 -18.451 41.191 16.283 1.00 0.00 WAT +ATOM 52360 H2 TIP3 15350 -17.611 40.964 15.057 1.00 0.00 WAT +ATOM 52361 OH2 TIP3 15351 -18.574 39.347 28.094 1.00 0.00 WAT +ATOM 52362 H1 TIP3 15351 -19.182 40.098 28.232 1.00 0.00 WAT +ATOM 52363 H2 TIP3 15351 -18.001 39.693 27.391 1.00 0.00 WAT +ATOM 52364 OH2 TIP3 15352 -16.935 39.568 13.970 1.00 0.00 WAT +ATOM 52365 H1 TIP3 15352 -16.989 39.697 13.005 1.00 0.00 WAT +ATOM 52366 H2 TIP3 15352 -15.974 39.576 14.125 1.00 0.00 WAT +ATOM 52367 OH2 TIP3 15353 -13.497 41.665 31.193 1.00 0.00 WAT +ATOM 52368 H1 TIP3 15353 -12.588 41.976 31.288 1.00 0.00 WAT +ATOM 52369 H2 TIP3 15353 -13.705 41.371 32.088 1.00 0.00 WAT +ATOM 52370 OH2 TIP3 15354 -7.624 41.893 13.205 1.00 0.00 WAT +ATOM 52371 H1 TIP3 15354 -7.719 41.835 12.242 1.00 0.00 WAT +ATOM 52372 H2 TIP3 15354 -7.592 42.856 13.379 1.00 0.00 WAT +ATOM 52373 OH2 TIP3 15355 -17.919 36.665 29.186 1.00 0.00 WAT +ATOM 52374 H1 TIP3 15355 -17.943 35.989 28.485 1.00 0.00 WAT +ATOM 52375 H2 TIP3 15355 -18.184 37.464 28.697 1.00 0.00 WAT +ATOM 52376 OH2 TIP3 15356 -17.718 35.115 26.606 1.00 0.00 WAT +ATOM 52377 H1 TIP3 15356 -17.211 35.638 25.956 1.00 0.00 WAT +ATOM 52378 H2 TIP3 15356 -18.629 35.138 26.247 1.00 0.00 WAT +ATOM 52379 OH2 TIP3 15357 -16.168 40.703 26.926 1.00 0.00 WAT +ATOM 52380 H1 TIP3 15357 -15.363 40.592 26.394 1.00 0.00 WAT +ATOM 52381 H2 TIP3 15357 -16.584 41.477 26.505 1.00 0.00 WAT +ATOM 52382 OH2 TIP3 15358 -10.585 41.276 30.057 1.00 0.00 WAT +ATOM 52383 H1 TIP3 15358 -10.851 42.033 29.490 1.00 0.00 WAT +ATOM 52384 H2 TIP3 15358 -9.647 41.196 29.817 1.00 0.00 WAT +ATOM 52385 OH2 TIP3 15359 -19.867 38.483 30.968 1.00 0.00 WAT +ATOM 52386 H1 TIP3 15359 -20.385 37.657 30.933 1.00 0.00 WAT +ATOM 52387 H2 TIP3 15359 -19.059 38.233 30.494 1.00 0.00 WAT +ATOM 52388 OH2 TIP3 15360 -16.990 32.447 26.971 1.00 0.00 WAT +ATOM 52389 H1 TIP3 15360 -17.181 33.394 26.798 1.00 0.00 WAT +ATOM 52390 H2 TIP3 15360 -17.670 32.013 26.421 1.00 0.00 WAT +ATOM 52391 OH2 TIP3 15361 -15.368 37.033 30.845 1.00 0.00 WAT +ATOM 52392 H1 TIP3 15361 -15.958 36.864 31.606 1.00 0.00 WAT +ATOM 52393 H2 TIP3 15361 -16.029 36.926 30.136 1.00 0.00 WAT +ATOM 52394 OH2 TIP3 15362 -11.709 35.052 31.841 1.00 0.00 WAT +ATOM 52395 H1 TIP3 15362 -11.639 34.135 31.507 1.00 0.00 WAT +ATOM 52396 H2 TIP3 15362 -11.811 34.884 32.790 1.00 0.00 WAT +ATOM 52397 OH2 TIP3 15363 -21.169 35.941 30.772 1.00 0.00 WAT +ATOM 52398 H1 TIP3 15363 -21.267 35.233 30.116 1.00 0.00 WAT +ATOM 52399 H2 TIP3 15363 -21.387 35.473 31.600 1.00 0.00 WAT +ATOM 52400 OH2 TIP3 15364 -17.112 31.951 29.803 1.00 0.00 WAT +ATOM 52401 H1 TIP3 15364 -16.543 31.164 29.829 1.00 0.00 WAT +ATOM 52402 H2 TIP3 15364 -17.177 32.094 28.838 1.00 0.00 WAT +ATOM 52403 OH2 TIP3 15365 -16.109 33.864 31.641 1.00 0.00 WAT +ATOM 52404 H1 TIP3 15365 -16.424 33.249 30.947 1.00 0.00 WAT +ATOM 52405 H2 TIP3 15365 -16.832 34.516 31.681 1.00 0.00 WAT +ATOM 52406 OH2 TIP3 15366 -6.813 43.643 17.634 1.00 0.00 WAT +ATOM 52407 H1 TIP3 15366 -5.870 43.611 17.427 1.00 0.00 WAT +ATOM 52408 H2 TIP3 15366 -6.991 42.789 18.055 1.00 0.00 WAT +ATOM 52409 OH2 TIP3 15367 -6.446 41.310 19.247 1.00 0.00 WAT +ATOM 52410 H1 TIP3 15367 -7.231 40.878 19.640 1.00 0.00 WAT +ATOM 52411 H2 TIP3 15367 -5.898 41.517 20.023 1.00 0.00 WAT +ATOM 52412 OH2 TIP3 15368 -6.272 40.933 15.765 1.00 0.00 WAT +ATOM 52413 H1 TIP3 15368 -6.900 41.153 15.051 1.00 0.00 WAT +ATOM 52414 H2 TIP3 15368 -6.409 41.673 16.367 1.00 0.00 WAT +ATOM 52415 OH2 TIP3 15369 -7.997 38.432 14.105 1.00 0.00 WAT +ATOM 52416 H1 TIP3 15369 -7.802 39.059 13.393 1.00 0.00 WAT +ATOM 52417 H2 TIP3 15369 -8.244 37.621 13.617 1.00 0.00 WAT +ATOM 52418 OH2 TIP3 15370 -8.712 39.655 19.992 1.00 0.00 WAT +ATOM 52419 H1 TIP3 15370 -8.736 38.695 19.845 1.00 0.00 WAT +ATOM 52420 H2 TIP3 15370 -9.078 39.728 20.900 1.00 0.00 WAT +ATOM 52421 OH2 TIP3 15371 -23.856 41.873 23.967 1.00 0.00 WAT +ATOM 52422 H1 TIP3 15371 -23.765 42.039 23.015 1.00 0.00 WAT +ATOM 52423 H2 TIP3 15371 -22.946 41.607 24.213 1.00 0.00 WAT +ATOM 52424 OH2 TIP3 15372 -7.860 41.653 29.200 1.00 0.00 WAT +ATOM 52425 H1 TIP3 15372 -7.148 41.019 29.436 1.00 0.00 WAT +ATOM 52426 H2 TIP3 15372 -7.392 42.497 29.084 1.00 0.00 WAT +ATOM 52427 OH2 TIP3 15373 -6.467 39.637 30.298 1.00 0.00 WAT +ATOM 52428 H1 TIP3 15373 -7.261 39.077 30.199 1.00 0.00 WAT +ATOM 52429 H2 TIP3 15373 -5.765 38.971 30.412 1.00 0.00 WAT +ATOM 52430 OH2 TIP3 15374 -8.549 35.790 13.297 1.00 0.00 WAT +ATOM 52431 H1 TIP3 15374 -7.977 35.279 13.896 1.00 0.00 WAT +ATOM 52432 H2 TIP3 15374 -9.351 35.250 13.226 1.00 0.00 WAT +ATOM 52433 OH2 TIP3 15375 -8.721 37.063 18.262 1.00 0.00 WAT +ATOM 52434 H1 TIP3 15375 -8.489 36.110 18.308 1.00 0.00 WAT +ATOM 52435 H2 TIP3 15375 -7.918 37.415 17.838 1.00 0.00 WAT +ATOM 52436 OH2 TIP3 15376 -8.508 37.682 23.679 1.00 0.00 WAT +ATOM 52437 H1 TIP3 15376 -7.536 37.787 23.652 1.00 0.00 WAT +ATOM 52438 H2 TIP3 15376 -8.658 37.699 24.638 1.00 0.00 WAT +ATOM 52439 OH2 TIP3 15377 -8.382 38.387 26.547 1.00 0.00 WAT +ATOM 52440 H1 TIP3 15377 -9.239 38.811 26.746 1.00 0.00 WAT +ATOM 52441 H2 TIP3 15377 -7.844 39.154 26.266 1.00 0.00 WAT +ATOM 52442 OH2 TIP3 15378 -23.866 37.158 30.167 1.00 0.00 WAT +ATOM 52443 H1 TIP3 15378 -22.929 36.901 30.205 1.00 0.00 WAT +ATOM 52444 H2 TIP3 15378 -24.306 36.293 30.251 1.00 0.00 WAT +ATOM 52445 OH2 TIP3 15379 -5.819 32.526 31.759 1.00 0.00 WAT +ATOM 52446 H1 TIP3 15379 -5.366 31.843 31.230 1.00 0.00 WAT +ATOM 52447 H2 TIP3 15379 -5.745 33.312 31.187 1.00 0.00 WAT +ATOM 52448 OH2 TIP3 15380 -8.268 34.272 18.223 1.00 0.00 WAT +ATOM 52449 H1 TIP3 15380 -8.165 33.925 19.126 1.00 0.00 WAT +ATOM 52450 H2 TIP3 15380 -9.059 33.778 17.921 1.00 0.00 WAT +ATOM 52451 OH2 TIP3 15381 -23.080 35.460 22.992 1.00 0.00 WAT +ATOM 52452 H1 TIP3 15381 -22.601 34.614 23.050 1.00 0.00 WAT +ATOM 52453 H2 TIP3 15381 -22.400 36.077 23.321 1.00 0.00 WAT +ATOM 52454 OH2 TIP3 15382 -24.535 38.142 24.040 1.00 0.00 WAT +ATOM 52455 H1 TIP3 15382 -23.949 38.127 23.266 1.00 0.00 WAT +ATOM 52456 H2 TIP3 15382 -24.223 38.937 24.492 1.00 0.00 WAT +ATOM 52457 OH2 TIP3 15383 -6.398 34.611 29.991 1.00 0.00 WAT +ATOM 52458 H1 TIP3 15383 -7.292 34.968 30.144 1.00 0.00 WAT +ATOM 52459 H2 TIP3 15383 -6.558 34.039 29.219 1.00 0.00 WAT +ATOM 52460 OH2 TIP3 15384 -6.297 34.753 14.898 1.00 0.00 WAT +ATOM 52461 H1 TIP3 15384 -6.000 33.950 14.436 1.00 0.00 WAT +ATOM 52462 H2 TIP3 15384 -5.479 35.272 14.946 1.00 0.00 WAT +ATOM 52463 OH2 TIP3 15385 -24.163 34.486 18.013 1.00 0.00 WAT +ATOM 52464 H1 TIP3 15385 -25.092 34.611 17.771 1.00 0.00 WAT +ATOM 52465 H2 TIP3 15385 -23.696 35.092 17.407 1.00 0.00 WAT +ATOM 52466 OH2 TIP3 15386 -24.001 33.362 26.225 1.00 0.00 WAT +ATOM 52467 H1 TIP3 15386 -24.709 33.113 26.834 1.00 0.00 WAT +ATOM 52468 H2 TIP3 15386 -24.488 33.901 25.575 1.00 0.00 WAT +ATOM 52469 OH2 TIP3 15387 -7.569 32.805 28.025 1.00 0.00 WAT +ATOM 52470 H1 TIP3 15387 -8.359 32.963 27.481 1.00 0.00 WAT +ATOM 52471 H2 TIP3 15387 -7.309 31.913 27.710 1.00 0.00 WAT +ATOM 52472 OH2 TIP3 15388 -14.113 34.292 22.502 1.00 0.00 WAT +ATOM 52473 H1 TIP3 15388 -14.805 33.613 22.624 1.00 0.00 WAT +ATOM 52474 H2 TIP3 15388 -13.518 33.849 21.876 1.00 0.00 WAT +ATOM 52475 OH2 TIP3 15389 -9.169 32.392 22.978 1.00 0.00 WAT +ATOM 52476 H1 TIP3 15389 -8.400 32.764 22.512 1.00 0.00 WAT +ATOM 52477 H2 TIP3 15389 -9.900 32.581 22.365 1.00 0.00 WAT +ATOM 52478 OH2 TIP3 15390 -7.072 33.428 20.840 1.00 0.00 WAT +ATOM 52479 H1 TIP3 15390 -6.379 32.994 20.309 1.00 0.00 WAT +ATOM 52480 H2 TIP3 15390 -6.748 34.348 20.886 1.00 0.00 WAT +ATOM 52481 OH2 TIP3 15391 -21.782 33.004 20.051 1.00 0.00 WAT +ATOM 52482 H1 TIP3 15391 -22.636 32.852 19.601 1.00 0.00 WAT +ATOM 52483 H2 TIP3 15391 -21.333 32.152 19.891 1.00 0.00 WAT +ATOM 52484 OH2 TIP3 15392 -22.958 32.504 15.935 1.00 0.00 WAT +ATOM 52485 H1 TIP3 15392 -22.427 33.139 15.415 1.00 0.00 WAT +ATOM 52486 H2 TIP3 15392 -23.370 33.081 16.598 1.00 0.00 WAT +ATOM 52487 OH2 TIP3 15393 -17.304 32.861 19.921 1.00 0.00 WAT +ATOM 52488 H1 TIP3 15393 -16.383 33.122 19.754 1.00 0.00 WAT +ATOM 52489 H2 TIP3 15393 -17.290 32.726 20.875 1.00 0.00 WAT +ATOM 52490 OH2 TIP3 15394 -11.695 32.881 21.333 1.00 0.00 WAT +ATOM 52491 H1 TIP3 15394 -11.423 32.706 20.421 1.00 0.00 WAT +ATOM 52492 H2 TIP3 15394 -12.089 32.022 21.584 1.00 0.00 WAT +ATOM 52493 OH2 TIP3 15395 -10.584 32.888 17.309 1.00 0.00 WAT +ATOM 52494 H1 TIP3 15395 -11.415 33.375 17.155 1.00 0.00 WAT +ATOM 52495 H2 TIP3 15395 -10.925 31.993 17.486 1.00 0.00 WAT +ATOM 52496 OH2 TIP3 15396 -21.241 34.265 14.366 1.00 0.00 WAT +ATOM 52497 H1 TIP3 15396 -20.594 33.772 13.834 1.00 0.00 WAT +ATOM 52498 H2 TIP3 15396 -20.658 34.651 15.049 1.00 0.00 WAT +ATOM 52499 OH2 TIP3 15397 -16.158 34.501 16.969 1.00 0.00 WAT +ATOM 52500 H1 TIP3 15397 -15.785 33.925 17.654 1.00 0.00 WAT +ATOM 52501 H2 TIP3 15397 -15.944 35.372 17.341 1.00 0.00 WAT +ATOM 52502 OH2 TIP3 15398 -21.965 33.237 29.556 1.00 0.00 WAT +ATOM 52503 H1 TIP3 15398 -22.364 32.428 29.924 1.00 0.00 WAT +ATOM 52504 H2 TIP3 15398 -21.041 33.124 29.831 1.00 0.00 WAT +ATOM 52505 OH2 TIP3 15399 -19.570 32.640 31.316 1.00 0.00 WAT +ATOM 52506 H1 TIP3 15399 -18.753 32.292 30.907 1.00 0.00 WAT +ATOM 52507 H2 TIP3 15399 -19.931 31.837 31.728 1.00 0.00 WAT +ATOM 52508 OH2 TIP3 15400 -11.426 32.039 31.492 1.00 0.00 WAT +ATOM 52509 H1 TIP3 15400 -11.448 31.531 32.325 1.00 0.00 WAT +ATOM 52510 H2 TIP3 15400 -10.491 31.926 31.230 1.00 0.00 WAT +ATOM 52511 OH2 TIP3 15401 6.065 42.043 20.236 1.00 0.00 WAT +ATOM 52512 H1 TIP3 15401 5.839 42.957 20.015 1.00 0.00 WAT +ATOM 52513 H2 TIP3 15401 5.397 41.569 19.718 1.00 0.00 WAT +ATOM 52514 OH2 TIP3 15402 -2.579 40.781 24.960 1.00 0.00 WAT +ATOM 52515 H1 TIP3 15402 -2.630 40.062 25.613 1.00 0.00 WAT +ATOM 52516 H2 TIP3 15402 -1.942 41.369 25.385 1.00 0.00 WAT +ATOM 52517 OH2 TIP3 15403 -4.924 38.875 18.936 1.00 0.00 WAT +ATOM 52518 H1 TIP3 15403 -5.390 39.728 18.983 1.00 0.00 WAT +ATOM 52519 H2 TIP3 15403 -5.599 38.312 18.537 1.00 0.00 WAT +ATOM 52520 OH2 TIP3 15404 -3.936 41.367 20.836 1.00 0.00 WAT +ATOM 52521 H1 TIP3 15404 -3.984 40.535 21.347 1.00 0.00 WAT +ATOM 52522 H2 TIP3 15404 -3.209 41.153 20.239 1.00 0.00 WAT +ATOM 52523 OH2 TIP3 15405 12.059 35.306 24.533 1.00 0.00 WAT +ATOM 52524 H1 TIP3 15405 12.363 35.858 25.273 1.00 0.00 WAT +ATOM 52525 H2 TIP3 15405 12.718 35.544 23.853 1.00 0.00 WAT +ATOM 52526 OH2 TIP3 15406 6.635 38.244 24.445 1.00 0.00 WAT +ATOM 52527 H1 TIP3 15406 6.758 37.353 24.814 1.00 0.00 WAT +ATOM 52528 H2 TIP3 15406 6.631 38.042 23.493 1.00 0.00 WAT +ATOM 52529 OH2 TIP3 15407 -0.282 36.066 21.530 1.00 0.00 WAT +ATOM 52530 H1 TIP3 15407 -0.146 36.907 21.051 1.00 0.00 WAT +ATOM 52531 H2 TIP3 15407 -0.617 35.515 20.794 1.00 0.00 WAT +ATOM 52532 OH2 TIP3 15408 7.577 36.236 19.842 1.00 0.00 WAT +ATOM 52533 H1 TIP3 15408 8.158 35.787 20.496 1.00 0.00 WAT +ATOM 52534 H2 TIP3 15408 8.240 36.659 19.276 1.00 0.00 WAT +ATOM 52535 OH2 TIP3 15409 -3.599 38.784 22.021 1.00 0.00 WAT +ATOM 52536 H1 TIP3 15409 -2.981 38.302 22.592 1.00 0.00 WAT +ATOM 52537 H2 TIP3 15409 -3.514 38.289 21.186 1.00 0.00 WAT +ATOM 52538 OH2 TIP3 15410 1.810 40.189 21.513 1.00 0.00 WAT +ATOM 52539 H1 TIP3 15410 2.486 39.621 21.924 1.00 0.00 WAT +ATOM 52540 H2 TIP3 15410 1.281 39.536 21.011 1.00 0.00 WAT +ATOM 52541 OH2 TIP3 15411 12.833 36.622 27.053 1.00 0.00 WAT +ATOM 52542 H1 TIP3 15411 12.253 37.353 26.776 1.00 0.00 WAT +ATOM 52543 H2 TIP3 15411 12.598 36.556 27.988 1.00 0.00 WAT +ATOM 52544 OH2 TIP3 15412 -1.463 34.853 25.680 1.00 0.00 WAT +ATOM 52545 H1 TIP3 15412 -1.892 35.333 24.956 1.00 0.00 WAT +ATOM 52546 H2 TIP3 15412 -2.124 34.975 26.392 1.00 0.00 WAT +ATOM 52547 OH2 TIP3 15413 1.202 42.609 25.502 1.00 0.00 WAT +ATOM 52548 H1 TIP3 15413 0.393 43.143 25.518 1.00 0.00 WAT +ATOM 52549 H2 TIP3 15413 1.860 43.318 25.428 1.00 0.00 WAT +ATOM 52550 OH2 TIP3 15414 9.386 35.488 21.869 1.00 0.00 WAT +ATOM 52551 H1 TIP3 15414 9.039 34.852 22.507 1.00 0.00 WAT +ATOM 52552 H2 TIP3 15414 9.951 36.043 22.429 1.00 0.00 WAT +ATOM 52553 OH2 TIP3 15415 -1.876 36.893 23.623 1.00 0.00 WAT +ATOM 52554 H1 TIP3 15415 -1.229 37.470 24.070 1.00 0.00 WAT +ATOM 52555 H2 TIP3 15415 -1.313 36.516 22.910 1.00 0.00 WAT +ATOM 52556 OH2 TIP3 15416 9.522 34.637 25.714 1.00 0.00 WAT +ATOM 52557 H1 TIP3 15416 8.750 35.001 25.242 1.00 0.00 WAT +ATOM 52558 H2 TIP3 15416 10.250 34.806 25.086 1.00 0.00 WAT +ATOM 52559 OH2 TIP3 15417 2.663 32.337 22.771 1.00 0.00 WAT +ATOM 52560 H1 TIP3 15417 2.448 31.386 22.715 1.00 0.00 WAT +ATOM 52561 H2 TIP3 15417 1.835 32.704 23.147 1.00 0.00 WAT +ATOM 52562 OH2 TIP3 15418 4.644 41.474 17.520 1.00 0.00 WAT +ATOM 52563 H1 TIP3 15418 3.976 41.730 16.872 1.00 0.00 WAT +ATOM 52564 H2 TIP3 15418 5.413 41.334 16.935 1.00 0.00 WAT +ATOM 52565 OH2 TIP3 15419 5.041 39.418 14.713 1.00 0.00 WAT +ATOM 52566 H1 TIP3 15419 5.787 39.794 15.213 1.00 0.00 WAT +ATOM 52567 H2 TIP3 15419 5.515 38.921 14.031 1.00 0.00 WAT +ATOM 52568 OH2 TIP3 15420 12.088 40.465 25.673 1.00 0.00 WAT +ATOM 52569 H1 TIP3 15420 11.565 41.241 25.949 1.00 0.00 WAT +ATOM 52570 H2 TIP3 15420 12.706 40.918 25.066 1.00 0.00 WAT +ATOM 52571 OH2 TIP3 15421 8.357 41.386 18.537 1.00 0.00 WAT +ATOM 52572 H1 TIP3 15421 7.707 41.604 19.224 1.00 0.00 WAT +ATOM 52573 H2 TIP3 15421 9.021 40.877 19.038 1.00 0.00 WAT +ATOM 52574 OH2 TIP3 15422 7.891 39.848 27.331 1.00 0.00 WAT +ATOM 52575 H1 TIP3 15422 7.941 40.351 28.162 1.00 0.00 WAT +ATOM 52576 H2 TIP3 15422 7.469 40.505 26.775 1.00 0.00 WAT +ATOM 52577 OH2 TIP3 15423 -0.114 42.063 20.467 1.00 0.00 WAT +ATOM 52578 H1 TIP3 15423 -0.350 41.822 19.551 1.00 0.00 WAT +ATOM 52579 H2 TIP3 15423 0.648 41.483 20.631 1.00 0.00 WAT +ATOM 52580 OH2 TIP3 15424 0.457 40.629 23.885 1.00 0.00 WAT +ATOM 52581 H1 TIP3 15424 0.969 40.730 23.059 1.00 0.00 WAT +ATOM 52582 H2 TIP3 15424 0.715 41.422 24.401 1.00 0.00 WAT +ATOM 52583 OH2 TIP3 15425 7.146 40.764 16.168 1.00 0.00 WAT +ATOM 52584 H1 TIP3 15425 7.755 41.005 16.903 1.00 0.00 WAT +ATOM 52585 H2 TIP3 15425 7.612 41.196 15.405 1.00 0.00 WAT +ATOM 52586 OH2 TIP3 15426 -1.732 41.456 27.729 1.00 0.00 WAT +ATOM 52587 H1 TIP3 15426 -1.615 42.085 28.479 1.00 0.00 WAT +ATOM 52588 H2 TIP3 15426 -2.700 41.464 27.663 1.00 0.00 WAT +ATOM 52589 OH2 TIP3 15427 10.662 32.471 15.579 1.00 0.00 WAT +ATOM 52590 H1 TIP3 15427 9.789 32.561 16.003 1.00 0.00 WAT +ATOM 52591 H2 TIP3 15427 11.012 33.373 15.641 1.00 0.00 WAT +ATOM 52592 OH2 TIP3 15428 -1.287 40.909 18.008 1.00 0.00 WAT +ATOM 52593 H1 TIP3 15428 -1.412 41.669 17.401 1.00 0.00 WAT +ATOM 52594 H2 TIP3 15428 -1.849 40.233 17.608 1.00 0.00 WAT +ATOM 52595 OH2 TIP3 15429 -4.867 43.179 26.561 1.00 0.00 WAT +ATOM 52596 H1 TIP3 15429 -5.468 42.991 25.830 1.00 0.00 WAT +ATOM 52597 H2 TIP3 15429 -4.959 42.394 27.134 1.00 0.00 WAT +ATOM 52598 OH2 TIP3 15430 10.081 38.363 29.790 1.00 0.00 WAT +ATOM 52599 H1 TIP3 15430 9.648 38.714 29.003 1.00 0.00 WAT +ATOM 52600 H2 TIP3 15430 10.138 37.417 29.556 1.00 0.00 WAT +ATOM 52601 OH2 TIP3 15431 0.241 33.501 23.685 1.00 0.00 WAT +ATOM 52602 H1 TIP3 15431 -0.566 33.416 23.148 1.00 0.00 WAT +ATOM 52603 H2 TIP3 15431 -0.034 34.207 24.290 1.00 0.00 WAT +ATOM 52604 OH2 TIP3 15432 4.605 33.062 27.320 1.00 0.00 WAT +ATOM 52605 H1 TIP3 15432 5.138 32.540 27.954 1.00 0.00 WAT +ATOM 52606 H2 TIP3 15432 3.705 32.710 27.455 1.00 0.00 WAT +ATOM 52607 OH2 TIP3 15433 7.741 36.828 27.824 1.00 0.00 WAT +ATOM 52608 H1 TIP3 15433 7.160 36.646 28.589 1.00 0.00 WAT +ATOM 52609 H2 TIP3 15433 7.601 37.776 27.664 1.00 0.00 WAT +ATOM 52610 OH2 TIP3 15434 8.550 41.752 14.106 1.00 0.00 WAT +ATOM 52611 H1 TIP3 15434 8.489 41.586 13.150 1.00 0.00 WAT +ATOM 52612 H2 TIP3 15434 9.441 42.151 14.167 1.00 0.00 WAT +ATOM 52613 OH2 TIP3 15435 4.408 35.577 14.594 1.00 0.00 WAT +ATOM 52614 H1 TIP3 15435 3.914 35.425 15.412 1.00 0.00 WAT +ATOM 52615 H2 TIP3 15435 4.006 34.905 14.016 1.00 0.00 WAT +ATOM 52616 OH2 TIP3 15436 0.145 38.258 25.178 1.00 0.00 WAT +ATOM 52617 H1 TIP3 15436 -0.571 38.348 25.829 1.00 0.00 WAT +ATOM 52618 H2 TIP3 15436 0.153 39.138 24.734 1.00 0.00 WAT +ATOM 52619 OH2 TIP3 15437 0.044 38.363 19.961 1.00 0.00 WAT +ATOM 52620 H1 TIP3 15437 -0.913 38.262 19.799 1.00 0.00 WAT +ATOM 52621 H2 TIP3 15437 0.390 38.152 19.068 1.00 0.00 WAT +ATOM 52622 OH2 TIP3 15438 5.675 39.020 18.818 1.00 0.00 WAT +ATOM 52623 H1 TIP3 15438 5.184 39.731 18.368 1.00 0.00 WAT +ATOM 52624 H2 TIP3 15438 6.332 38.777 18.139 1.00 0.00 WAT +ATOM 52625 OH2 TIP3 15439 4.838 39.211 30.193 1.00 0.00 WAT +ATOM 52626 H1 TIP3 15439 4.331 38.429 30.490 1.00 0.00 WAT +ATOM 52627 H2 TIP3 15439 5.719 39.037 30.576 1.00 0.00 WAT +ATOM 52628 OH2 TIP3 15440 6.572 38.364 21.507 1.00 0.00 WAT +ATOM 52629 H1 TIP3 15440 6.256 38.830 20.706 1.00 0.00 WAT +ATOM 52630 H2 TIP3 15440 6.795 37.502 21.098 1.00 0.00 WAT +ATOM 52631 OH2 TIP3 15441 -2.487 38.414 26.908 1.00 0.00 WAT +ATOM 52632 H1 TIP3 15441 -2.339 38.774 27.791 1.00 0.00 WAT +ATOM 52633 H2 TIP3 15441 -2.861 37.538 27.119 1.00 0.00 WAT +ATOM 52634 OH2 TIP3 15442 0.845 36.052 13.505 1.00 0.00 WAT +ATOM 52635 H1 TIP3 15442 0.477 35.660 14.322 1.00 0.00 WAT +ATOM 52636 H2 TIP3 15442 0.060 36.154 12.954 1.00 0.00 WAT +ATOM 52637 OH2 TIP3 15443 -5.703 35.938 20.564 1.00 0.00 WAT +ATOM 52638 H1 TIP3 15443 -5.094 35.864 21.321 1.00 0.00 WAT +ATOM 52639 H2 TIP3 15443 -5.222 35.512 19.836 1.00 0.00 WAT +ATOM 52640 OH2 TIP3 15444 -4.108 36.346 16.295 1.00 0.00 WAT +ATOM 52641 H1 TIP3 15444 -3.580 36.820 15.618 1.00 0.00 WAT +ATOM 52642 H2 TIP3 15444 -4.825 36.985 16.448 1.00 0.00 WAT +ATOM 52643 OH2 TIP3 15445 2.838 36.084 21.089 1.00 0.00 WAT +ATOM 52644 H1 TIP3 15445 1.893 35.917 21.248 1.00 0.00 WAT +ATOM 52645 H2 TIP3 15445 3.244 35.701 21.887 1.00 0.00 WAT +ATOM 52646 OH2 TIP3 15446 -2.628 37.173 19.678 1.00 0.00 WAT +ATOM 52647 H1 TIP3 15446 -3.441 37.424 19.204 1.00 0.00 WAT +ATOM 52648 H2 TIP3 15446 -2.332 36.376 19.199 1.00 0.00 WAT +ATOM 52649 OH2 TIP3 15447 1.005 37.549 17.381 1.00 0.00 WAT +ATOM 52650 H1 TIP3 15447 1.977 37.579 17.385 1.00 0.00 WAT +ATOM 52651 H2 TIP3 15447 0.757 38.086 16.608 1.00 0.00 WAT +ATOM 52652 OH2 TIP3 15448 7.194 35.137 24.020 1.00 0.00 WAT +ATOM 52653 H1 TIP3 15448 6.541 35.131 24.752 1.00 0.00 WAT +ATOM 52654 H2 TIP3 15448 6.645 34.786 23.300 1.00 0.00 WAT +ATOM 52655 OH2 TIP3 15449 -0.547 38.773 15.140 1.00 0.00 WAT +ATOM 52656 H1 TIP3 15449 -1.117 38.442 14.429 1.00 0.00 WAT +ATOM 52657 H2 TIP3 15449 0.269 38.968 14.644 1.00 0.00 WAT +ATOM 52658 OH2 TIP3 15450 -1.666 43.172 29.783 1.00 0.00 WAT +ATOM 52659 H1 TIP3 15450 -1.075 43.622 30.421 1.00 0.00 WAT +ATOM 52660 H2 TIP3 15450 -2.456 43.048 30.352 1.00 0.00 WAT +ATOM 52661 OH2 TIP3 15451 4.005 38.771 23.082 1.00 0.00 WAT +ATOM 52662 H1 TIP3 15451 4.448 38.251 22.396 1.00 0.00 WAT +ATOM 52663 H2 TIP3 15451 3.684 38.060 23.681 1.00 0.00 WAT +ATOM 52664 OH2 TIP3 15452 -0.874 34.898 19.010 1.00 0.00 WAT +ATOM 52665 H1 TIP3 15452 -1.439 34.116 19.135 1.00 0.00 WAT +ATOM 52666 H2 TIP3 15452 -0.085 34.514 18.602 1.00 0.00 WAT +ATOM 52667 OH2 TIP3 15453 2.838 37.038 24.948 1.00 0.00 WAT +ATOM 52668 H1 TIP3 15453 1.988 37.486 25.103 1.00 0.00 WAT +ATOM 52669 H2 TIP3 15453 3.314 37.152 25.794 1.00 0.00 WAT +ATOM 52670 OH2 TIP3 15454 2.414 43.631 17.337 1.00 0.00 WAT +ATOM 52671 H1 TIP3 15454 2.127 43.059 16.600 1.00 0.00 WAT +ATOM 52672 H2 TIP3 15454 3.145 43.162 17.745 1.00 0.00 WAT +ATOM 52673 OH2 TIP3 15455 10.171 42.571 25.588 1.00 0.00 WAT +ATOM 52674 H1 TIP3 15455 10.790 42.987 24.971 1.00 0.00 WAT +ATOM 52675 H2 TIP3 15455 9.367 42.717 25.075 1.00 0.00 WAT +ATOM 52676 OH2 TIP3 15456 7.089 36.149 14.760 1.00 0.00 WAT +ATOM 52677 H1 TIP3 15456 6.107 36.136 14.694 1.00 0.00 WAT +ATOM 52678 H2 TIP3 15456 7.264 36.899 15.359 1.00 0.00 WAT +ATOM 52679 OH2 TIP3 15457 7.767 37.993 16.850 1.00 0.00 WAT +ATOM 52680 H1 TIP3 15457 8.659 37.812 17.206 1.00 0.00 WAT +ATOM 52681 H2 TIP3 15457 7.901 38.832 16.376 1.00 0.00 WAT +ATOM 52682 OH2 TIP3 15458 -1.567 42.543 22.723 1.00 0.00 WAT +ATOM 52683 H1 TIP3 15458 -1.043 42.402 21.905 1.00 0.00 WAT +ATOM 52684 H2 TIP3 15458 -1.625 41.644 23.081 1.00 0.00 WAT +ATOM 52685 OH2 TIP3 15459 -4.740 40.909 28.111 1.00 0.00 WAT +ATOM 52686 H1 TIP3 15459 -4.554 40.450 28.954 1.00 0.00 WAT +ATOM 52687 H2 TIP3 15459 -5.331 40.292 27.653 1.00 0.00 WAT +ATOM 52688 OH2 TIP3 15460 2.293 40.527 30.073 1.00 0.00 WAT +ATOM 52689 H1 TIP3 15460 1.893 40.198 29.250 1.00 0.00 WAT +ATOM 52690 H2 TIP3 15460 3.231 40.284 29.954 1.00 0.00 WAT +ATOM 52691 OH2 TIP3 15461 12.345 37.983 16.538 1.00 0.00 WAT +ATOM 52692 H1 TIP3 15461 11.810 37.782 15.744 1.00 0.00 WAT +ATOM 52693 H2 TIP3 15461 12.482 38.937 16.381 1.00 0.00 WAT +ATOM 52694 OH2 TIP3 15462 -3.628 40.936 14.577 1.00 0.00 WAT +ATOM 52695 H1 TIP3 15462 -3.039 41.546 15.047 1.00 0.00 WAT +ATOM 52696 H2 TIP3 15462 -4.482 41.112 15.024 1.00 0.00 WAT +ATOM 52697 OH2 TIP3 15463 -3.358 35.653 27.663 1.00 0.00 WAT +ATOM 52698 H1 TIP3 15463 -4.271 35.888 27.407 1.00 0.00 WAT +ATOM 52699 H2 TIP3 15463 -3.494 34.783 28.080 1.00 0.00 WAT +ATOM 52700 OH2 TIP3 15464 -1.858 -43.865 16.437 1.00 0.00 WAT +ATOM 52701 H1 TIP3 15464 -2.770 -43.523 16.550 1.00 0.00 WAT +ATOM 52702 H2 TIP3 15464 -1.401 -43.055 16.165 1.00 0.00 WAT +ATOM 52703 OH2 TIP3 15465 5.588 35.505 26.226 1.00 0.00 WAT +ATOM 52704 H1 TIP3 15465 6.219 35.730 26.927 1.00 0.00 WAT +ATOM 52705 H2 TIP3 15465 5.120 34.737 26.615 1.00 0.00 WAT +ATOM 52706 OH2 TIP3 15466 6.216 34.943 17.479 1.00 0.00 WAT +ATOM 52707 H1 TIP3 15466 6.429 35.432 16.668 1.00 0.00 WAT +ATOM 52708 H2 TIP3 15466 6.730 35.421 18.150 1.00 0.00 WAT +ATOM 52709 OH2 TIP3 15467 3.661 36.938 18.429 1.00 0.00 WAT +ATOM 52710 H1 TIP3 15467 4.453 37.486 18.570 1.00 0.00 WAT +ATOM 52711 H2 TIP3 15467 3.366 36.773 19.345 1.00 0.00 WAT +ATOM 52712 OH2 TIP3 15468 4.048 37.941 27.554 1.00 0.00 WAT +ATOM 52713 H1 TIP3 15468 4.210 38.506 28.328 1.00 0.00 WAT +ATOM 52714 H2 TIP3 15468 4.592 37.172 27.769 1.00 0.00 WAT +ATOM 52715 OH2 TIP3 15469 4.248 33.949 19.357 1.00 0.00 WAT +ATOM 52716 H1 TIP3 15469 4.105 34.636 20.031 1.00 0.00 WAT +ATOM 52717 H2 TIP3 15469 4.981 34.339 18.839 1.00 0.00 WAT +ATOM 52718 OH2 TIP3 15470 -0.026 34.939 15.887 1.00 0.00 WAT +ATOM 52719 H1 TIP3 15470 -0.001 35.694 16.497 1.00 0.00 WAT +ATOM 52720 H2 TIP3 15470 0.786 34.458 16.147 1.00 0.00 WAT +ATOM 52721 OH2 TIP3 15471 10.315 35.846 28.463 1.00 0.00 WAT +ATOM 52722 H1 TIP3 15471 9.356 35.962 28.317 1.00 0.00 WAT +ATOM 52723 H2 TIP3 15471 10.566 35.593 27.562 1.00 0.00 WAT +ATOM 52724 OH2 TIP3 15472 8.464 39.933 22.887 1.00 0.00 WAT +ATOM 52725 H1 TIP3 15472 7.980 39.363 22.264 1.00 0.00 WAT +ATOM 52726 H2 TIP3 15472 9.201 39.346 23.162 1.00 0.00 WAT +ATOM 52727 OH2 TIP3 15473 -3.498 38.001 14.112 1.00 0.00 WAT +ATOM 52728 H1 TIP3 15473 -3.359 38.949 14.269 1.00 0.00 WAT +ATOM 52729 H2 TIP3 15473 -4.328 37.994 13.620 1.00 0.00 WAT +ATOM 52730 OH2 TIP3 15474 -2.557 33.047 22.862 1.00 0.00 WAT +ATOM 52731 H1 TIP3 15474 -2.727 33.016 21.898 1.00 0.00 WAT +ATOM 52732 H2 TIP3 15474 -2.885 32.178 23.161 1.00 0.00 WAT +ATOM 52733 OH2 TIP3 15475 -4.080 43.124 30.987 1.00 0.00 WAT +ATOM 52734 H1 TIP3 15475 -4.207 42.163 31.087 1.00 0.00 WAT +ATOM 52735 H2 TIP3 15475 -4.936 43.421 30.661 1.00 0.00 WAT +ATOM 52736 OH2 TIP3 15476 1.861 43.293 30.442 1.00 0.00 WAT +ATOM 52737 H1 TIP3 15476 1.872 43.447 29.477 1.00 0.00 WAT +ATOM 52738 H2 TIP3 15476 2.207 42.378 30.491 1.00 0.00 WAT +ATOM 52739 OH2 TIP3 15477 7.826 -43.781 28.074 1.00 0.00 WAT +ATOM 52740 H1 TIP3 15477 8.645 -43.329 27.828 1.00 0.00 WAT +ATOM 52741 H2 TIP3 15477 7.206 -43.042 28.121 1.00 0.00 WAT +ATOM 52742 OH2 TIP3 15478 -3.469 40.255 30.648 1.00 0.00 WAT +ATOM 52743 H1 TIP3 15478 -2.695 39.666 30.594 1.00 0.00 WAT +ATOM 52744 H2 TIP3 15478 -3.482 40.444 31.605 1.00 0.00 WAT +ATOM 52745 OH2 TIP3 15479 1.106 41.604 15.724 1.00 0.00 WAT +ATOM 52746 H1 TIP3 15479 0.441 41.177 16.277 1.00 0.00 WAT +ATOM 52747 H2 TIP3 15479 1.251 40.935 15.027 1.00 0.00 WAT +ATOM 52748 OH2 TIP3 15480 0.356 39.415 28.090 1.00 0.00 WAT +ATOM 52749 H1 TIP3 15480 -0.320 40.092 28.277 1.00 0.00 WAT +ATOM 52750 H2 TIP3 15480 0.680 39.703 27.231 1.00 0.00 WAT +ATOM 52751 OH2 TIP3 15481 1.927 39.575 13.986 1.00 0.00 WAT +ATOM 52752 H1 TIP3 15481 1.893 39.699 13.019 1.00 0.00 WAT +ATOM 52753 H2 TIP3 15481 2.888 39.559 14.143 1.00 0.00 WAT +ATOM 52754 OH2 TIP3 15482 5.525 42.163 31.539 1.00 0.00 WAT +ATOM 52755 H1 TIP3 15482 6.420 41.929 31.281 1.00 0.00 WAT +ATOM 52756 H2 TIP3 15482 5.167 41.326 31.849 1.00 0.00 WAT +ATOM 52757 OH2 TIP3 15483 11.210 41.887 13.209 1.00 0.00 WAT +ATOM 52758 H1 TIP3 15483 11.142 41.827 12.242 1.00 0.00 WAT +ATOM 52759 H2 TIP3 15483 11.272 42.851 13.373 1.00 0.00 WAT +ATOM 52760 OH2 TIP3 15484 0.799 36.623 29.151 1.00 0.00 WAT +ATOM 52761 H1 TIP3 15484 0.874 35.971 28.430 1.00 0.00 WAT +ATOM 52762 H2 TIP3 15484 0.620 37.442 28.662 1.00 0.00 WAT +ATOM 52763 OH2 TIP3 15485 1.143 35.131 26.597 1.00 0.00 WAT +ATOM 52764 H1 TIP3 15485 1.645 35.594 25.907 1.00 0.00 WAT +ATOM 52765 H2 TIP3 15485 0.228 35.123 26.245 1.00 0.00 WAT +ATOM 52766 OH2 TIP3 15486 3.221 40.965 26.822 1.00 0.00 WAT +ATOM 52767 H1 TIP3 15486 3.283 40.245 26.192 1.00 0.00 WAT +ATOM 52768 H2 TIP3 15486 2.447 41.473 26.531 1.00 0.00 WAT +ATOM 52769 OH2 TIP3 15487 7.290 38.490 31.766 1.00 0.00 WAT +ATOM 52770 H1 TIP3 15487 7.462 37.551 31.942 1.00 0.00 WAT +ATOM 52771 H2 TIP3 15487 8.191 38.844 31.739 1.00 0.00 WAT +ATOM 52772 OH2 TIP3 15488 8.258 41.272 29.995 1.00 0.00 WAT +ATOM 52773 H1 TIP3 15488 8.023 42.032 29.422 1.00 0.00 WAT +ATOM 52774 H2 TIP3 15488 9.212 41.198 29.806 1.00 0.00 WAT +ATOM 52775 OH2 TIP3 15489 -1.054 38.528 30.877 1.00 0.00 WAT +ATOM 52776 H1 TIP3 15489 -1.549 37.691 30.944 1.00 0.00 WAT +ATOM 52777 H2 TIP3 15489 -0.202 38.221 30.529 1.00 0.00 WAT +ATOM 52778 OH2 TIP3 15490 1.859 32.436 26.957 1.00 0.00 WAT +ATOM 52779 H1 TIP3 15490 1.678 33.385 26.796 1.00 0.00 WAT +ATOM 52780 H2 TIP3 15490 1.165 32.010 26.417 1.00 0.00 WAT +ATOM 52781 OH2 TIP3 15491 3.134 37.019 30.716 1.00 0.00 WAT +ATOM 52782 H1 TIP3 15491 2.810 36.806 31.608 1.00 0.00 WAT +ATOM 52783 H2 TIP3 15491 2.331 36.808 30.197 1.00 0.00 WAT +ATOM 52784 OH2 TIP3 15492 5.664 36.062 29.599 1.00 0.00 WAT +ATOM 52785 H1 TIP3 15492 4.781 36.118 30.013 1.00 0.00 WAT +ATOM 52786 H2 TIP3 15492 6.118 35.428 30.188 1.00 0.00 WAT +ATOM 52787 OH2 TIP3 15493 7.504 34.545 31.319 1.00 0.00 WAT +ATOM 52788 H1 TIP3 15493 7.363 33.590 31.476 1.00 0.00 WAT +ATOM 52789 H2 TIP3 15493 7.325 34.944 32.191 1.00 0.00 WAT +ATOM 52790 OH2 TIP3 15494 -2.320 35.940 30.789 1.00 0.00 WAT +ATOM 52791 H1 TIP3 15494 -2.400 35.232 30.129 1.00 0.00 WAT +ATOM 52792 H2 TIP3 15494 -2.539 35.464 31.612 1.00 0.00 WAT +ATOM 52793 OH2 TIP3 15495 1.705 31.921 29.772 1.00 0.00 WAT +ATOM 52794 H1 TIP3 15495 2.297 31.152 29.829 1.00 0.00 WAT +ATOM 52795 H2 TIP3 15495 1.681 32.061 28.805 1.00 0.00 WAT +ATOM 52796 OH2 TIP3 15496 2.651 33.795 31.617 1.00 0.00 WAT +ATOM 52797 H1 TIP3 15496 2.353 33.195 30.903 1.00 0.00 WAT +ATOM 52798 H2 TIP3 15496 1.948 34.462 31.640 1.00 0.00 WAT +ATOM 52799 OH2 TIP3 15497 11.993 43.573 17.574 1.00 0.00 WAT +ATOM 52800 H1 TIP3 15497 12.949 43.668 17.465 1.00 0.00 WAT +ATOM 52801 H2 TIP3 15497 11.897 42.765 18.104 1.00 0.00 WAT +ATOM 52802 OH2 TIP3 15498 12.326 41.329 19.230 1.00 0.00 WAT +ATOM 52803 H1 TIP3 15498 11.615 40.865 19.702 1.00 0.00 WAT +ATOM 52804 H2 TIP3 15498 13.006 41.463 19.924 1.00 0.00 WAT +ATOM 52805 OH2 TIP3 15499 12.573 40.927 15.774 1.00 0.00 WAT +ATOM 52806 H1 TIP3 15499 11.955 41.166 15.057 1.00 0.00 WAT +ATOM 52807 H2 TIP3 15499 12.462 41.678 16.373 1.00 0.00 WAT +ATOM 52808 OH2 TIP3 15500 10.847 38.433 14.106 1.00 0.00 WAT +ATOM 52809 H1 TIP3 15500 11.051 39.064 13.400 1.00 0.00 WAT +ATOM 52810 H2 TIP3 15500 10.614 37.622 13.611 1.00 0.00 WAT +ATOM 52811 OH2 TIP3 15501 10.008 39.628 20.114 1.00 0.00 WAT +ATOM 52812 H1 TIP3 15501 10.079 38.668 19.976 1.00 0.00 WAT +ATOM 52813 H2 TIP3 15501 9.777 39.697 21.049 1.00 0.00 WAT +ATOM 52814 OH2 TIP3 15502 -5.075 41.809 23.845 1.00 0.00 WAT +ATOM 52815 H1 TIP3 15502 -4.854 41.949 22.911 1.00 0.00 WAT +ATOM 52816 H2 TIP3 15502 -4.192 41.723 24.248 1.00 0.00 WAT +ATOM 52817 OH2 TIP3 15503 10.980 41.648 29.264 1.00 0.00 WAT +ATOM 52818 H1 TIP3 15503 11.687 40.993 29.449 1.00 0.00 WAT +ATOM 52819 H2 TIP3 15503 11.460 42.438 28.963 1.00 0.00 WAT +ATOM 52820 OH2 TIP3 15504 12.427 39.649 30.333 1.00 0.00 WAT +ATOM 52821 H1 TIP3 15504 11.613 39.120 30.190 1.00 0.00 WAT +ATOM 52822 H2 TIP3 15504 13.100 38.948 30.410 1.00 0.00 WAT +ATOM 52823 OH2 TIP3 15505 10.304 35.791 13.301 1.00 0.00 WAT +ATOM 52824 H1 TIP3 15505 10.891 35.285 13.891 1.00 0.00 WAT +ATOM 52825 H2 TIP3 15505 9.512 35.237 13.229 1.00 0.00 WAT +ATOM 52826 OH2 TIP3 15506 10.132 37.091 18.285 1.00 0.00 WAT +ATOM 52827 H1 TIP3 15506 10.372 36.140 18.331 1.00 0.00 WAT +ATOM 52828 H2 TIP3 15506 10.930 37.446 17.855 1.00 0.00 WAT +ATOM 52829 OH2 TIP3 15507 10.318 37.854 23.638 1.00 0.00 WAT +ATOM 52830 H1 TIP3 15507 11.297 37.852 23.608 1.00 0.00 WAT +ATOM 52831 H2 TIP3 15507 10.185 37.725 24.590 1.00 0.00 WAT +ATOM 52832 OH2 TIP3 15508 10.413 38.444 26.600 1.00 0.00 WAT +ATOM 52833 H1 TIP3 15508 9.539 38.847 26.737 1.00 0.00 WAT +ATOM 52834 H2 TIP3 15508 10.945 39.201 26.275 1.00 0.00 WAT +ATOM 52835 OH2 TIP3 15509 -5.016 37.157 30.146 1.00 0.00 WAT +ATOM 52836 H1 TIP3 15509 -4.077 36.915 30.221 1.00 0.00 WAT +ATOM 52837 H2 TIP3 15509 -5.445 36.287 30.240 1.00 0.00 WAT +ATOM 52838 OH2 TIP3 15510 13.074 32.527 31.794 1.00 0.00 WAT +ATOM 52839 H1 TIP3 15510 13.485 31.830 31.247 1.00 0.00 WAT +ATOM 52840 H2 TIP3 15510 13.107 33.299 31.197 1.00 0.00 WAT +ATOM 52841 OH2 TIP3 15511 10.574 34.299 18.225 1.00 0.00 WAT +ATOM 52842 H1 TIP3 15511 10.715 33.945 19.122 1.00 0.00 WAT +ATOM 52843 H2 TIP3 15511 9.791 33.785 17.937 1.00 0.00 WAT +ATOM 52844 OH2 TIP3 15512 -4.232 35.471 22.986 1.00 0.00 WAT +ATOM 52845 H1 TIP3 15512 -3.778 34.611 23.041 1.00 0.00 WAT +ATOM 52846 H2 TIP3 15512 -3.537 36.066 23.325 1.00 0.00 WAT +ATOM 52847 OH2 TIP3 15513 -5.675 38.151 24.056 1.00 0.00 WAT +ATOM 52848 H1 TIP3 15513 -5.110 38.092 23.270 1.00 0.00 WAT +ATOM 52849 H2 TIP3 15513 -5.342 38.961 24.463 1.00 0.00 WAT +ATOM 52850 OH2 TIP3 15514 12.462 34.585 30.031 1.00 0.00 WAT +ATOM 52851 H1 TIP3 15514 11.575 34.985 30.090 1.00 0.00 WAT +ATOM 52852 H2 TIP3 15514 12.340 34.023 29.244 1.00 0.00 WAT +ATOM 52853 OH2 TIP3 15515 12.550 34.758 14.884 1.00 0.00 WAT +ATOM 52854 H1 TIP3 15515 12.864 33.952 14.440 1.00 0.00 WAT +ATOM 52855 H2 TIP3 15515 13.370 35.272 14.970 1.00 0.00 WAT +ATOM 52856 OH2 TIP3 15516 -5.193 34.507 18.099 1.00 0.00 WAT +ATOM 52857 H1 TIP3 15516 -6.137 34.522 17.868 1.00 0.00 WAT +ATOM 52858 H2 TIP3 15516 -4.789 35.087 17.423 1.00 0.00 WAT +ATOM 52859 OH2 TIP3 15517 -5.133 33.393 26.236 1.00 0.00 WAT +ATOM 52860 H1 TIP3 15517 -5.843 33.081 26.812 1.00 0.00 WAT +ATOM 52861 H2 TIP3 15517 -5.638 33.880 25.560 1.00 0.00 WAT +ATOM 52862 OH2 TIP3 15518 11.318 32.802 28.014 1.00 0.00 WAT +ATOM 52863 H1 TIP3 15518 10.505 32.977 27.510 1.00 0.00 WAT +ATOM 52864 H2 TIP3 15518 11.542 31.900 27.702 1.00 0.00 WAT +ATOM 52865 OH2 TIP3 15519 4.710 34.309 22.449 1.00 0.00 WAT +ATOM 52866 H1 TIP3 15519 4.053 33.607 22.624 1.00 0.00 WAT +ATOM 52867 H2 TIP3 15519 5.354 33.837 21.897 1.00 0.00 WAT +ATOM 52868 OH2 TIP3 15520 9.688 32.366 22.966 1.00 0.00 WAT +ATOM 52869 H1 TIP3 15520 10.462 32.757 22.525 1.00 0.00 WAT +ATOM 52870 H2 TIP3 15520 8.960 32.597 22.368 1.00 0.00 WAT +ATOM 52871 OH2 TIP3 15521 11.760 33.430 20.801 1.00 0.00 WAT +ATOM 52872 H1 TIP3 15521 12.478 32.990 20.309 1.00 0.00 WAT +ATOM 52873 H2 TIP3 15521 12.111 34.339 20.890 1.00 0.00 WAT +ATOM 52874 OH2 TIP3 15522 -2.905 33.004 20.047 1.00 0.00 WAT +ATOM 52875 H1 TIP3 15522 -3.766 32.881 19.601 1.00 0.00 WAT +ATOM 52876 H2 TIP3 15522 -2.490 32.134 19.889 1.00 0.00 WAT +ATOM 52877 OH2 TIP3 15523 -4.080 32.496 15.920 1.00 0.00 WAT +ATOM 52878 H1 TIP3 15523 -3.577 33.154 15.403 1.00 0.00 WAT +ATOM 52879 H2 TIP3 15523 -4.500 33.046 16.599 1.00 0.00 WAT +ATOM 52880 OH2 TIP3 15524 1.563 32.881 19.921 1.00 0.00 WAT +ATOM 52881 H1 TIP3 15524 2.495 33.108 19.764 1.00 0.00 WAT +ATOM 52882 H2 TIP3 15524 1.560 32.733 20.873 1.00 0.00 WAT +ATOM 52883 OH2 TIP3 15525 7.139 32.888 21.321 1.00 0.00 WAT +ATOM 52884 H1 TIP3 15525 7.433 32.711 20.416 1.00 0.00 WAT +ATOM 52885 H2 TIP3 15525 6.775 32.020 21.579 1.00 0.00 WAT +ATOM 52886 OH2 TIP3 15526 8.261 32.886 17.329 1.00 0.00 WAT +ATOM 52887 H1 TIP3 15526 7.432 33.365 17.149 1.00 0.00 WAT +ATOM 52888 H2 TIP3 15526 7.929 31.978 17.453 1.00 0.00 WAT +ATOM 52889 OH2 TIP3 15527 -2.383 34.325 14.357 1.00 0.00 WAT +ATOM 52890 H1 TIP3 15527 -1.783 33.763 13.837 1.00 0.00 WAT +ATOM 52891 H2 TIP3 15527 -1.778 34.650 15.051 1.00 0.00 WAT +ATOM 52892 OH2 TIP3 15528 2.708 34.515 16.967 1.00 0.00 WAT +ATOM 52893 H1 TIP3 15528 3.062 33.926 17.652 1.00 0.00 WAT +ATOM 52894 H2 TIP3 15528 2.925 35.378 17.352 1.00 0.00 WAT +ATOM 52895 OH2 TIP3 15529 -3.109 33.244 29.568 1.00 0.00 WAT +ATOM 52896 H1 TIP3 15529 -3.503 32.426 29.920 1.00 0.00 WAT +ATOM 52897 H2 TIP3 15529 -2.182 33.123 29.831 1.00 0.00 WAT +ATOM 52898 OH2 TIP3 15530 -0.724 32.634 31.295 1.00 0.00 WAT +ATOM 52899 H1 TIP3 15530 0.100 32.290 30.893 1.00 0.00 WAT +ATOM 52900 H2 TIP3 15530 -1.059 31.833 31.729 1.00 0.00 WAT +ATOM 52901 OH2 TIP3 15531 7.403 31.746 31.468 1.00 0.00 WAT +ATOM 52902 H1 TIP3 15531 7.433 31.324 32.348 1.00 0.00 WAT +ATOM 52903 H2 TIP3 15531 8.341 31.706 31.205 1.00 0.00 WAT +ATOM 52904 OH2 TIP3 15532 24.977 42.050 20.121 1.00 0.00 WAT +ATOM 52905 H1 TIP3 15532 24.667 42.963 20.074 1.00 0.00 WAT +ATOM 52906 H2 TIP3 15532 24.253 41.595 19.664 1.00 0.00 WAT +ATOM 52907 OH2 TIP3 15533 23.770 41.359 23.391 1.00 0.00 WAT +ATOM 52908 H1 TIP3 15533 23.805 40.815 24.193 1.00 0.00 WAT +ATOM 52909 H2 TIP3 15533 23.502 40.722 22.719 1.00 0.00 WAT +ATOM 52910 OH2 TIP3 15534 16.244 40.863 25.033 1.00 0.00 WAT +ATOM 52911 H1 TIP3 15534 16.165 40.082 25.608 1.00 0.00 WAT +ATOM 52912 H2 TIP3 15534 17.000 41.301 25.444 1.00 0.00 WAT +ATOM 52913 OH2 TIP3 15535 13.934 38.805 18.912 1.00 0.00 WAT +ATOM 52914 H1 TIP3 15535 13.553 39.693 19.010 1.00 0.00 WAT +ATOM 52915 H2 TIP3 15535 13.214 38.327 18.484 1.00 0.00 WAT +ATOM 52916 OH2 TIP3 15536 14.723 41.270 20.661 1.00 0.00 WAT +ATOM 52917 H1 TIP3 15536 14.810 40.559 21.322 1.00 0.00 WAT +ATOM 52918 H2 TIP3 15536 15.653 41.356 20.414 1.00 0.00 WAT +ATOM 52919 OH2 TIP3 15537 31.017 35.195 24.599 1.00 0.00 WAT +ATOM 52920 H1 TIP3 15537 31.244 35.850 25.279 1.00 0.00 WAT +ATOM 52921 H2 TIP3 15537 31.567 35.501 23.857 1.00 0.00 WAT +ATOM 52922 OH2 TIP3 15538 25.627 38.037 24.465 1.00 0.00 WAT +ATOM 52923 H1 TIP3 15538 25.740 37.072 24.489 1.00 0.00 WAT +ATOM 52924 H2 TIP3 15538 25.509 38.190 23.514 1.00 0.00 WAT +ATOM 52925 OH2 TIP3 15539 18.586 36.059 21.527 1.00 0.00 WAT +ATOM 52926 H1 TIP3 15539 18.715 36.910 21.065 1.00 0.00 WAT +ATOM 52927 H2 TIP3 15539 18.231 35.527 20.788 1.00 0.00 WAT +ATOM 52928 OH2 TIP3 15540 26.427 36.227 19.840 1.00 0.00 WAT +ATOM 52929 H1 TIP3 15540 27.016 35.796 20.497 1.00 0.00 WAT +ATOM 52930 H2 TIP3 15540 27.078 36.675 19.281 1.00 0.00 WAT +ATOM 52931 OH2 TIP3 15541 15.192 38.723 22.062 1.00 0.00 WAT +ATOM 52932 H1 TIP3 15541 15.889 38.304 22.592 1.00 0.00 WAT +ATOM 52933 H2 TIP3 15541 15.333 38.301 21.195 1.00 0.00 WAT +ATOM 52934 OH2 TIP3 15542 20.662 40.188 21.537 1.00 0.00 WAT +ATOM 52935 H1 TIP3 15542 21.337 39.592 21.920 1.00 0.00 WAT +ATOM 52936 H2 TIP3 15542 20.123 39.556 21.022 1.00 0.00 WAT +ATOM 52937 OH2 TIP3 15543 31.799 36.609 27.042 1.00 0.00 WAT +ATOM 52938 H1 TIP3 15543 31.183 37.312 26.767 1.00 0.00 WAT +ATOM 52939 H2 TIP3 15543 31.568 36.528 27.978 1.00 0.00 WAT +ATOM 52940 OH2 TIP3 15544 17.384 34.855 25.685 1.00 0.00 WAT +ATOM 52941 H1 TIP3 15544 16.973 35.345 24.956 1.00 0.00 WAT +ATOM 52942 H2 TIP3 15544 16.719 34.990 26.390 1.00 0.00 WAT +ATOM 52943 OH2 TIP3 15545 19.928 42.816 25.429 1.00 0.00 WAT +ATOM 52944 H1 TIP3 15545 19.174 43.413 25.532 1.00 0.00 WAT +ATOM 52945 H2 TIP3 15545 20.663 43.440 25.312 1.00 0.00 WAT +ATOM 52946 OH2 TIP3 15546 28.273 35.459 21.869 1.00 0.00 WAT +ATOM 52947 H1 TIP3 15546 27.859 34.862 22.505 1.00 0.00 WAT +ATOM 52948 H2 TIP3 15546 28.754 36.073 22.452 1.00 0.00 WAT +ATOM 52949 OH2 TIP3 15547 16.980 36.888 23.621 1.00 0.00 WAT +ATOM 52950 H1 TIP3 15547 17.625 37.461 24.083 1.00 0.00 WAT +ATOM 52951 H2 TIP3 15547 17.552 36.518 22.912 1.00 0.00 WAT +ATOM 52952 OH2 TIP3 15548 28.400 34.661 25.716 1.00 0.00 WAT +ATOM 52953 H1 TIP3 15548 27.619 35.007 25.244 1.00 0.00 WAT +ATOM 52954 H2 TIP3 15548 29.111 34.794 25.062 1.00 0.00 WAT +ATOM 52955 OH2 TIP3 15549 21.521 32.326 22.782 1.00 0.00 WAT +ATOM 52956 H1 TIP3 15549 21.289 31.380 22.718 1.00 0.00 WAT +ATOM 52957 H2 TIP3 15549 20.692 32.705 23.146 1.00 0.00 WAT +ATOM 52958 OH2 TIP3 15550 23.494 41.401 17.518 1.00 0.00 WAT +ATOM 52959 H1 TIP3 15550 22.864 41.887 16.959 1.00 0.00 WAT +ATOM 52960 H2 TIP3 15550 24.250 41.332 16.911 1.00 0.00 WAT +ATOM 52961 OH2 TIP3 15551 23.899 39.408 14.699 1.00 0.00 WAT +ATOM 52962 H1 TIP3 15551 24.627 39.791 15.221 1.00 0.00 WAT +ATOM 52963 H2 TIP3 15551 24.393 38.923 14.024 1.00 0.00 WAT +ATOM 52964 OH2 TIP3 15552 31.026 40.550 25.743 1.00 0.00 WAT +ATOM 52965 H1 TIP3 15552 30.367 41.265 25.875 1.00 0.00 WAT +ATOM 52966 H2 TIP3 15552 31.536 40.950 25.007 1.00 0.00 WAT +ATOM 52967 OH2 TIP3 15553 27.213 41.412 18.528 1.00 0.00 WAT +ATOM 52968 H1 TIP3 15553 26.548 41.628 19.211 1.00 0.00 WAT +ATOM 52969 H2 TIP3 15553 27.862 40.889 19.035 1.00 0.00 WAT +ATOM 52970 OH2 TIP3 15554 26.946 39.807 27.448 1.00 0.00 WAT +ATOM 52971 H1 TIP3 15554 26.964 40.593 28.016 1.00 0.00 WAT +ATOM 52972 H2 TIP3 15554 26.370 40.141 26.735 1.00 0.00 WAT +ATOM 52973 OH2 TIP3 15555 18.763 42.117 20.431 1.00 0.00 WAT +ATOM 52974 H1 TIP3 15555 18.526 41.811 19.536 1.00 0.00 WAT +ATOM 52975 H2 TIP3 15555 19.500 41.525 20.650 1.00 0.00 WAT +ATOM 52976 OH2 TIP3 15556 19.309 40.687 23.928 1.00 0.00 WAT +ATOM 52977 H1 TIP3 15556 19.858 40.732 23.120 1.00 0.00 WAT +ATOM 52978 H2 TIP3 15556 19.628 41.445 24.461 1.00 0.00 WAT +ATOM 52979 OH2 TIP3 15557 26.024 40.732 16.161 1.00 0.00 WAT +ATOM 52980 H1 TIP3 15557 26.594 41.016 16.911 1.00 0.00 WAT +ATOM 52981 H2 TIP3 15557 26.480 41.188 15.407 1.00 0.00 WAT +ATOM 52982 OH2 TIP3 15558 17.132 41.482 27.719 1.00 0.00 WAT +ATOM 52983 H1 TIP3 15558 17.221 42.107 28.475 1.00 0.00 WAT +ATOM 52984 H2 TIP3 15558 16.167 41.325 27.735 1.00 0.00 WAT +ATOM 52985 OH2 TIP3 15559 29.524 32.458 15.595 1.00 0.00 WAT +ATOM 52986 H1 TIP3 15559 28.639 32.553 15.993 1.00 0.00 WAT +ATOM 52987 H2 TIP3 15559 29.865 33.366 15.646 1.00 0.00 WAT +ATOM 52988 OH2 TIP3 15560 17.631 40.879 17.956 1.00 0.00 WAT +ATOM 52989 H1 TIP3 15560 17.458 41.662 17.394 1.00 0.00 WAT +ATOM 52990 H2 TIP3 15560 16.977 40.247 17.632 1.00 0.00 WAT +ATOM 52991 OH2 TIP3 15561 13.260 42.895 26.592 1.00 0.00 WAT +ATOM 52992 H1 TIP3 15561 13.651 43.255 25.780 1.00 0.00 WAT +ATOM 52993 H2 TIP3 15561 14.050 42.726 27.124 1.00 0.00 WAT +ATOM 52994 OH2 TIP3 15562 28.936 38.357 29.777 1.00 0.00 WAT +ATOM 52995 H1 TIP3 15562 28.406 38.747 29.067 1.00 0.00 WAT +ATOM 52996 H2 TIP3 15562 28.990 37.428 29.481 1.00 0.00 WAT +ATOM 52997 OH2 TIP3 15563 19.095 33.480 23.689 1.00 0.00 WAT +ATOM 52998 H1 TIP3 15563 18.276 33.402 23.168 1.00 0.00 WAT +ATOM 52999 H2 TIP3 15563 18.847 34.207 24.281 1.00 0.00 WAT +ATOM 53000 OH2 TIP3 15564 23.452 33.099 27.366 1.00 0.00 WAT +ATOM 53001 H1 TIP3 15564 23.961 32.496 27.940 1.00 0.00 WAT +ATOM 53002 H2 TIP3 15564 22.541 32.749 27.436 1.00 0.00 WAT +ATOM 53003 OH2 TIP3 15565 26.659 36.860 27.892 1.00 0.00 WAT +ATOM 53004 H1 TIP3 15565 25.992 36.727 28.589 1.00 0.00 WAT +ATOM 53005 H2 TIP3 15565 26.549 37.799 27.657 1.00 0.00 WAT +ATOM 53006 OH2 TIP3 15566 27.420 41.747 14.102 1.00 0.00 WAT +ATOM 53007 H1 TIP3 15566 27.346 41.595 13.143 1.00 0.00 WAT +ATOM 53008 H2 TIP3 15566 28.306 42.152 14.166 1.00 0.00 WAT +ATOM 53009 OH2 TIP3 15567 23.279 35.564 14.595 1.00 0.00 WAT +ATOM 53010 H1 TIP3 15567 22.770 35.444 15.410 1.00 0.00 WAT +ATOM 53011 H2 TIP3 15567 22.859 34.899 14.023 1.00 0.00 WAT +ATOM 53012 OH2 TIP3 15568 18.976 38.236 25.135 1.00 0.00 WAT +ATOM 53013 H1 TIP3 15568 18.320 38.369 25.841 1.00 0.00 WAT +ATOM 53014 H2 TIP3 15568 19.058 39.138 24.749 1.00 0.00 WAT +ATOM 53015 OH2 TIP3 15569 18.901 38.348 19.963 1.00 0.00 WAT +ATOM 53016 H1 TIP3 15569 17.942 38.276 19.805 1.00 0.00 WAT +ATOM 53017 H2 TIP3 15569 19.240 38.151 19.067 1.00 0.00 WAT +ATOM 53018 OH2 TIP3 15570 24.505 38.999 18.777 1.00 0.00 WAT +ATOM 53019 H1 TIP3 15570 24.037 39.752 18.367 1.00 0.00 WAT +ATOM 53020 H2 TIP3 15570 25.165 38.788 18.093 1.00 0.00 WAT +ATOM 53021 OH2 TIP3 15571 23.699 39.212 30.184 1.00 0.00 WAT +ATOM 53022 H1 TIP3 15571 23.189 38.445 30.507 1.00 0.00 WAT +ATOM 53023 H2 TIP3 15571 24.585 39.041 30.559 1.00 0.00 WAT +ATOM 53024 OH2 TIP3 15572 25.356 38.311 21.511 1.00 0.00 WAT +ATOM 53025 H1 TIP3 15572 25.066 38.855 20.753 1.00 0.00 WAT +ATOM 53026 H2 TIP3 15572 25.586 37.488 21.033 1.00 0.00 WAT +ATOM 53027 OH2 TIP3 15573 16.371 38.400 26.876 1.00 0.00 WAT +ATOM 53028 H1 TIP3 15573 16.511 38.792 27.746 1.00 0.00 WAT +ATOM 53029 H2 TIP3 15573 15.985 37.537 27.113 1.00 0.00 WAT +ATOM 53030 OH2 TIP3 15574 19.710 36.029 13.492 1.00 0.00 WAT +ATOM 53031 H1 TIP3 15574 19.345 35.669 14.326 1.00 0.00 WAT +ATOM 53032 H2 TIP3 15574 18.916 36.157 12.959 1.00 0.00 WAT +ATOM 53033 OH2 TIP3 15575 13.124 35.891 20.573 1.00 0.00 WAT +ATOM 53034 H1 TIP3 15575 13.745 35.890 21.324 1.00 0.00 WAT +ATOM 53035 H2 TIP3 15575 13.649 35.521 19.846 1.00 0.00 WAT +ATOM 53036 OH2 TIP3 15576 14.731 36.335 16.280 1.00 0.00 WAT +ATOM 53037 H1 TIP3 15576 15.276 36.814 15.621 1.00 0.00 WAT +ATOM 53038 H2 TIP3 15576 14.036 36.992 16.455 1.00 0.00 WAT +ATOM 53039 OH2 TIP3 15577 24.344 39.970 25.975 1.00 0.00 WAT +ATOM 53040 H1 TIP3 15577 24.863 39.305 25.470 1.00 0.00 WAT +ATOM 53041 H2 TIP3 15577 24.026 39.433 26.716 1.00 0.00 WAT +ATOM 53042 OH2 TIP3 15578 21.674 35.951 21.012 1.00 0.00 WAT +ATOM 53043 H1 TIP3 15578 20.723 35.905 21.211 1.00 0.00 WAT +ATOM 53044 H2 TIP3 15578 22.063 35.735 21.876 1.00 0.00 WAT +ATOM 53045 OH2 TIP3 15579 16.211 37.159 19.693 1.00 0.00 WAT +ATOM 53046 H1 TIP3 15579 15.415 37.442 19.207 1.00 0.00 WAT +ATOM 53047 H2 TIP3 15579 16.513 36.378 19.193 1.00 0.00 WAT +ATOM 53048 OH2 TIP3 15580 19.867 37.510 17.355 1.00 0.00 WAT +ATOM 53049 H1 TIP3 15580 20.835 37.592 17.387 1.00 0.00 WAT +ATOM 53050 H2 TIP3 15580 19.608 38.096 16.622 1.00 0.00 WAT +ATOM 53051 OH2 TIP3 15581 26.059 35.071 24.028 1.00 0.00 WAT +ATOM 53052 H1 TIP3 15581 25.400 35.084 24.755 1.00 0.00 WAT +ATOM 53053 H2 TIP3 15581 25.500 34.723 23.310 1.00 0.00 WAT +ATOM 53054 OH2 TIP3 15582 18.299 38.757 15.130 1.00 0.00 WAT +ATOM 53055 H1 TIP3 15582 17.742 38.438 14.405 1.00 0.00 WAT +ATOM 53056 H2 TIP3 15582 19.121 38.969 14.653 1.00 0.00 WAT +ATOM 53057 OH2 TIP3 15583 17.260 43.167 29.789 1.00 0.00 WAT +ATOM 53058 H1 TIP3 15583 17.798 43.665 30.434 1.00 0.00 WAT +ATOM 53059 H2 TIP3 15583 16.438 43.036 30.312 1.00 0.00 WAT +ATOM 53060 OH2 TIP3 15584 22.683 38.505 22.841 1.00 0.00 WAT +ATOM 53061 H1 TIP3 15584 23.401 38.061 22.366 1.00 0.00 WAT +ATOM 53062 H2 TIP3 15584 22.523 37.890 23.584 1.00 0.00 WAT +ATOM 53063 OH2 TIP3 15585 17.976 34.898 18.999 1.00 0.00 WAT +ATOM 53064 H1 TIP3 15585 17.421 34.113 19.139 1.00 0.00 WAT +ATOM 53065 H2 TIP3 15585 18.777 34.517 18.613 1.00 0.00 WAT +ATOM 53066 OH2 TIP3 15586 21.659 36.954 25.050 1.00 0.00 WAT +ATOM 53067 H1 TIP3 15586 20.862 37.511 25.068 1.00 0.00 WAT +ATOM 53068 H2 TIP3 15586 22.131 37.216 25.863 1.00 0.00 WAT +ATOM 53069 OH2 TIP3 15587 21.512 43.600 17.043 1.00 0.00 WAT +ATOM 53070 H1 TIP3 15587 20.951 42.966 16.554 1.00 0.00 WAT +ATOM 53071 H2 TIP3 15587 21.639 43.192 17.903 1.00 0.00 WAT +ATOM 53072 OH2 TIP3 15588 29.257 42.668 25.643 1.00 0.00 WAT +ATOM 53073 H1 TIP3 15588 29.509 43.119 24.816 1.00 0.00 WAT +ATOM 53074 H2 TIP3 15588 28.309 42.545 25.445 1.00 0.00 WAT +ATOM 53075 OH2 TIP3 15589 25.953 36.163 14.733 1.00 0.00 WAT +ATOM 53076 H1 TIP3 15589 24.970 36.133 14.690 1.00 0.00 WAT +ATOM 53077 H2 TIP3 15589 26.127 36.893 15.358 1.00 0.00 WAT +ATOM 53078 OH2 TIP3 15590 26.628 37.978 16.818 1.00 0.00 WAT +ATOM 53079 H1 TIP3 15590 27.518 37.818 17.188 1.00 0.00 WAT +ATOM 53080 H2 TIP3 15590 26.730 38.847 16.391 1.00 0.00 WAT +ATOM 53081 OH2 TIP3 15591 16.811 42.163 22.411 1.00 0.00 WAT +ATOM 53082 H1 TIP3 15591 17.646 42.362 21.945 1.00 0.00 WAT +ATOM 53083 H2 TIP3 15591 17.110 41.748 23.234 1.00 0.00 WAT +ATOM 53084 OH2 TIP3 15592 14.382 40.752 28.085 1.00 0.00 WAT +ATOM 53085 H1 TIP3 15592 14.334 40.363 28.980 1.00 0.00 WAT +ATOM 53086 H2 TIP3 15592 13.590 40.404 27.648 1.00 0.00 WAT +ATOM 53087 OH2 TIP3 15593 21.154 40.522 30.054 1.00 0.00 WAT +ATOM 53088 H1 TIP3 15593 20.776 40.270 29.194 1.00 0.00 WAT +ATOM 53089 H2 TIP3 15593 22.089 40.277 29.934 1.00 0.00 WAT +ATOM 53090 OH2 TIP3 15594 31.212 37.975 16.531 1.00 0.00 WAT +ATOM 53091 H1 TIP3 15594 30.665 37.784 15.742 1.00 0.00 WAT +ATOM 53092 H2 TIP3 15594 31.341 38.932 16.385 1.00 0.00 WAT +ATOM 53093 OH2 TIP3 15595 26.683 41.798 24.325 1.00 0.00 WAT +ATOM 53094 H1 TIP3 15595 25.775 41.832 23.985 1.00 0.00 WAT +ATOM 53095 H2 TIP3 15595 27.158 41.345 23.611 1.00 0.00 WAT +ATOM 53096 OH2 TIP3 15596 15.227 40.947 14.571 1.00 0.00 WAT +ATOM 53097 H1 TIP3 15596 15.830 41.541 15.045 1.00 0.00 WAT +ATOM 53098 H2 TIP3 15596 14.381 41.131 15.028 1.00 0.00 WAT +ATOM 53099 OH2 TIP3 15597 15.484 35.663 27.689 1.00 0.00 WAT +ATOM 53100 H1 TIP3 15597 14.580 35.898 27.403 1.00 0.00 WAT +ATOM 53101 H2 TIP3 15597 15.343 34.778 28.070 1.00 0.00 WAT +ATOM 53102 OH2 TIP3 15598 16.989 -43.876 16.404 1.00 0.00 WAT +ATOM 53103 H1 TIP3 15598 16.095 -43.522 16.580 1.00 0.00 WAT +ATOM 53104 H2 TIP3 15598 17.461 -43.055 16.198 1.00 0.00 WAT +ATOM 53105 OH2 TIP3 15599 24.462 35.502 26.225 1.00 0.00 WAT +ATOM 53106 H1 TIP3 15599 25.086 35.724 26.928 1.00 0.00 WAT +ATOM 53107 H2 TIP3 15599 23.954 34.761 26.611 1.00 0.00 WAT +ATOM 53108 OH2 TIP3 15600 25.107 34.919 17.477 1.00 0.00 WAT +ATOM 53109 H1 TIP3 15600 25.269 35.446 16.679 1.00 0.00 WAT +ATOM 53110 H2 TIP3 15600 25.563 35.437 18.161 1.00 0.00 WAT +ATOM 53111 OH2 TIP3 15601 22.540 36.914 18.426 1.00 0.00 WAT +ATOM 53112 H1 TIP3 15601 23.291 37.519 18.577 1.00 0.00 WAT +ATOM 53113 H2 TIP3 15601 22.224 36.757 19.336 1.00 0.00 WAT +ATOM 53114 OH2 TIP3 15602 22.919 37.928 27.589 1.00 0.00 WAT +ATOM 53115 H1 TIP3 15602 22.970 38.405 28.433 1.00 0.00 WAT +ATOM 53116 H2 TIP3 15602 23.397 37.113 27.788 1.00 0.00 WAT +ATOM 53117 OH2 TIP3 15603 23.117 33.938 19.376 1.00 0.00 WAT +ATOM 53118 H1 TIP3 15603 22.903 34.647 20.011 1.00 0.00 WAT +ATOM 53119 H2 TIP3 15603 23.831 34.354 18.853 1.00 0.00 WAT +ATOM 53120 OH2 TIP3 15604 18.833 34.945 15.882 1.00 0.00 WAT +ATOM 53121 H1 TIP3 15604 18.855 35.700 16.494 1.00 0.00 WAT +ATOM 53122 H2 TIP3 15604 19.641 34.463 16.149 1.00 0.00 WAT +ATOM 53123 OH2 TIP3 15605 29.172 35.820 28.429 1.00 0.00 WAT +ATOM 53124 H1 TIP3 15605 28.214 35.974 28.295 1.00 0.00 WAT +ATOM 53125 H2 TIP3 15605 29.405 35.618 27.510 1.00 0.00 WAT +ATOM 53126 OH2 TIP3 15606 27.701 39.663 22.424 1.00 0.00 WAT +ATOM 53127 H1 TIP3 15606 26.850 39.235 22.218 1.00 0.00 WAT +ATOM 53128 H2 TIP3 15606 28.156 38.971 22.947 1.00 0.00 WAT +ATOM 53129 OH2 TIP3 15607 15.361 37.999 14.104 1.00 0.00 WAT +ATOM 53130 H1 TIP3 15607 15.510 38.944 14.268 1.00 0.00 WAT +ATOM 53131 H2 TIP3 15607 14.521 38.003 13.630 1.00 0.00 WAT +ATOM 53132 OH2 TIP3 15608 16.301 33.045 22.863 1.00 0.00 WAT +ATOM 53133 H1 TIP3 15608 16.126 33.015 21.900 1.00 0.00 WAT +ATOM 53134 H2 TIP3 15608 15.974 32.175 23.164 1.00 0.00 WAT +ATOM 53135 OH2 TIP3 15609 14.811 43.068 30.885 1.00 0.00 WAT +ATOM 53136 H1 TIP3 15609 14.598 42.119 30.967 1.00 0.00 WAT +ATOM 53137 H2 TIP3 15609 13.969 43.499 30.717 1.00 0.00 WAT +ATOM 53138 OH2 TIP3 15610 20.725 43.303 30.482 1.00 0.00 WAT +ATOM 53139 H1 TIP3 15610 20.746 43.487 29.521 1.00 0.00 WAT +ATOM 53140 H2 TIP3 15610 21.042 42.377 30.501 1.00 0.00 WAT +ATOM 53141 OH2 TIP3 15611 26.712 -43.738 28.215 1.00 0.00 WAT +ATOM 53142 H1 TIP3 15611 27.498 -43.319 27.836 1.00 0.00 WAT +ATOM 53143 H2 TIP3 15611 26.013 -43.136 27.929 1.00 0.00 WAT +ATOM 53144 OH2 TIP3 15612 15.383 40.239 30.696 1.00 0.00 WAT +ATOM 53145 H1 TIP3 15612 16.158 39.657 30.612 1.00 0.00 WAT +ATOM 53146 H2 TIP3 15612 15.397 40.436 31.651 1.00 0.00 WAT +ATOM 53147 OH2 TIP3 15613 19.952 41.606 15.754 1.00 0.00 WAT +ATOM 53148 H1 TIP3 15613 19.276 41.180 16.295 1.00 0.00 WAT +ATOM 53149 H2 TIP3 15613 20.105 40.941 15.055 1.00 0.00 WAT +ATOM 53150 OH2 TIP3 15614 19.125 39.349 28.082 1.00 0.00 WAT +ATOM 53151 H1 TIP3 15614 18.522 40.106 28.204 1.00 0.00 WAT +ATOM 53152 H2 TIP3 15614 19.707 39.676 27.375 1.00 0.00 WAT +ATOM 53153 OH2 TIP3 15615 20.777 39.567 13.983 1.00 0.00 WAT +ATOM 53154 H1 TIP3 15615 20.753 39.712 13.018 1.00 0.00 WAT +ATOM 53155 H2 TIP3 15615 21.737 39.569 14.153 1.00 0.00 WAT +ATOM 53156 OH2 TIP3 15616 24.415 42.177 31.597 1.00 0.00 WAT +ATOM 53157 H1 TIP3 15616 25.268 41.931 31.221 1.00 0.00 WAT +ATOM 53158 H2 TIP3 15616 24.028 41.326 31.821 1.00 0.00 WAT +ATOM 53159 OH2 TIP3 15617 30.109 41.894 13.201 1.00 0.00 WAT +ATOM 53160 H1 TIP3 15617 29.971 41.842 12.241 1.00 0.00 WAT +ATOM 53161 H2 TIP3 15617 30.104 42.854 13.386 1.00 0.00 WAT +ATOM 53162 OH2 TIP3 15618 19.695 36.643 29.150 1.00 0.00 WAT +ATOM 53163 H1 TIP3 15618 19.723 35.976 28.439 1.00 0.00 WAT +ATOM 53164 H2 TIP3 15618 19.458 37.446 28.652 1.00 0.00 WAT +ATOM 53165 OH2 TIP3 15619 19.995 35.114 26.605 1.00 0.00 WAT +ATOM 53166 H1 TIP3 15619 20.504 35.625 25.948 1.00 0.00 WAT +ATOM 53167 H2 TIP3 15619 19.084 35.131 26.243 1.00 0.00 WAT +ATOM 53168 OH2 TIP3 15620 21.507 40.687 26.899 1.00 0.00 WAT +ATOM 53169 H1 TIP3 15620 22.342 40.557 26.419 1.00 0.00 WAT +ATOM 53170 H2 TIP3 15620 21.176 41.515 26.526 1.00 0.00 WAT +ATOM 53171 OH2 TIP3 15621 26.140 38.508 31.735 1.00 0.00 WAT +ATOM 53172 H1 TIP3 15621 26.322 37.586 31.978 1.00 0.00 WAT +ATOM 53173 H2 TIP3 15621 27.033 38.884 31.727 1.00 0.00 WAT +ATOM 53174 OH2 TIP3 15622 27.097 41.376 30.149 1.00 0.00 WAT +ATOM 53175 H1 TIP3 15622 26.854 42.086 29.511 1.00 0.00 WAT +ATOM 53176 H2 TIP3 15622 27.996 41.171 29.837 1.00 0.00 WAT +ATOM 53177 OH2 TIP3 15623 17.833 38.503 30.952 1.00 0.00 WAT +ATOM 53178 H1 TIP3 15623 17.317 37.676 30.939 1.00 0.00 WAT +ATOM 53179 H2 TIP3 15623 18.642 38.234 30.492 1.00 0.00 WAT +ATOM 53180 OH2 TIP3 15624 20.735 32.444 26.950 1.00 0.00 WAT +ATOM 53181 H1 TIP3 15624 20.518 33.385 26.782 1.00 0.00 WAT +ATOM 53182 H2 TIP3 15624 20.050 31.989 26.420 1.00 0.00 WAT +ATOM 53183 OH2 TIP3 15625 22.002 36.998 30.732 1.00 0.00 WAT +ATOM 53184 H1 TIP3 15625 21.614 36.809 31.605 1.00 0.00 WAT +ATOM 53185 H2 TIP3 15625 21.211 36.817 30.176 1.00 0.00 WAT +ATOM 53186 OH2 TIP3 15626 24.514 36.084 29.620 1.00 0.00 WAT +ATOM 53187 H1 TIP3 15626 23.603 36.173 29.963 1.00 0.00 WAT +ATOM 53188 H2 TIP3 15626 24.882 35.429 30.224 1.00 0.00 WAT +ATOM 53189 OH2 TIP3 15627 26.535 34.263 31.532 1.00 0.00 WAT +ATOM 53190 H1 TIP3 15627 25.774 33.691 31.645 1.00 0.00 WAT +ATOM 53191 H2 TIP3 15627 26.313 34.995 32.148 1.00 0.00 WAT +ATOM 53192 OH2 TIP3 15628 16.554 35.941 30.786 1.00 0.00 WAT +ATOM 53193 H1 TIP3 15628 16.452 35.243 30.119 1.00 0.00 WAT +ATOM 53194 H2 TIP3 15628 16.315 35.462 31.603 1.00 0.00 WAT +ATOM 53195 OH2 TIP3 15629 20.583 31.931 29.773 1.00 0.00 WAT +ATOM 53196 H1 TIP3 15629 21.157 31.145 29.807 1.00 0.00 WAT +ATOM 53197 H2 TIP3 15629 20.521 32.062 28.806 1.00 0.00 WAT +ATOM 53198 OH2 TIP3 15630 21.543 33.809 31.600 1.00 0.00 WAT +ATOM 53199 H1 TIP3 15630 21.227 33.191 30.906 1.00 0.00 WAT +ATOM 53200 H2 TIP3 15630 20.818 34.452 31.642 1.00 0.00 WAT +ATOM 53201 OH2 TIP3 15631 30.901 43.637 17.624 1.00 0.00 WAT +ATOM 53202 H1 TIP3 15631 31.848 43.605 17.443 1.00 0.00 WAT +ATOM 53203 H2 TIP3 15631 30.719 42.792 18.063 1.00 0.00 WAT +ATOM 53204 OH2 TIP3 15632 31.260 41.324 19.237 1.00 0.00 WAT +ATOM 53205 H1 TIP3 15632 30.489 40.884 19.645 1.00 0.00 WAT +ATOM 53206 H2 TIP3 15632 31.852 41.480 19.997 1.00 0.00 WAT +ATOM 53207 OH2 TIP3 15633 31.444 40.936 15.764 1.00 0.00 WAT +ATOM 53208 H1 TIP3 15633 30.814 41.153 15.051 1.00 0.00 WAT +ATOM 53209 H2 TIP3 15633 31.297 41.671 16.371 1.00 0.00 WAT +ATOM 53210 OH2 TIP3 15634 29.734 38.423 14.104 1.00 0.00 WAT +ATOM 53211 H1 TIP3 15634 29.908 39.063 13.398 1.00 0.00 WAT +ATOM 53212 H2 TIP3 15634 29.474 37.621 13.609 1.00 0.00 WAT +ATOM 53213 OH2 TIP3 15635 29.008 39.652 19.995 1.00 0.00 WAT +ATOM 53214 H1 TIP3 15635 28.971 38.693 19.846 1.00 0.00 WAT +ATOM 53215 H2 TIP3 15635 28.636 39.729 20.900 1.00 0.00 WAT +ATOM 53216 OH2 TIP3 15636 13.886 41.928 23.845 1.00 0.00 WAT +ATOM 53217 H1 TIP3 15636 14.077 41.969 22.898 1.00 0.00 WAT +ATOM 53218 H2 TIP3 15636 14.750 41.655 24.209 1.00 0.00 WAT +ATOM 53219 OH2 TIP3 15637 29.861 41.608 29.220 1.00 0.00 WAT +ATOM 53220 H1 TIP3 15637 30.586 41.007 29.486 1.00 0.00 WAT +ATOM 53221 H2 TIP3 15637 30.301 42.440 28.973 1.00 0.00 WAT +ATOM 53222 OH2 TIP3 15638 31.290 39.628 30.367 1.00 0.00 WAT +ATOM 53223 H1 TIP3 15638 30.477 39.111 30.178 1.00 0.00 WAT +ATOM 53224 H2 TIP3 15638 31.972 38.934 30.364 1.00 0.00 WAT +ATOM 53225 OH2 TIP3 15639 29.163 35.783 13.295 1.00 0.00 WAT +ATOM 53226 H1 TIP3 15639 29.727 35.276 13.904 1.00 0.00 WAT +ATOM 53227 H2 TIP3 15639 28.357 35.251 13.225 1.00 0.00 WAT +ATOM 53228 OH2 TIP3 15640 28.993 37.063 18.265 1.00 0.00 WAT +ATOM 53229 H1 TIP3 15640 29.227 36.111 18.304 1.00 0.00 WAT +ATOM 53230 H2 TIP3 15640 29.792 37.420 17.839 1.00 0.00 WAT +ATOM 53231 OH2 TIP3 15641 29.207 37.645 23.682 1.00 0.00 WAT +ATOM 53232 H1 TIP3 15641 30.172 37.788 23.661 1.00 0.00 WAT +ATOM 53233 H2 TIP3 15641 29.043 37.696 24.639 1.00 0.00 WAT +ATOM 53234 OH2 TIP3 15642 29.395 38.366 26.519 1.00 0.00 WAT +ATOM 53235 H1 TIP3 15642 28.521 38.729 26.755 1.00 0.00 WAT +ATOM 53236 H2 TIP3 15642 29.884 39.175 26.271 1.00 0.00 WAT +ATOM 53237 OH2 TIP3 15643 13.845 37.167 30.204 1.00 0.00 WAT +ATOM 53238 H1 TIP3 15643 14.780 36.900 30.192 1.00 0.00 WAT +ATOM 53239 H2 TIP3 15643 13.400 36.301 30.244 1.00 0.00 WAT +ATOM 53240 OH2 TIP3 15644 31.638 32.355 31.657 1.00 0.00 WAT +ATOM 53241 H1 TIP3 15644 32.201 31.759 31.124 1.00 0.00 WAT +ATOM 53242 H2 TIP3 15644 31.720 33.192 31.155 1.00 0.00 WAT +ATOM 53243 OH2 TIP3 15645 29.448 34.268 18.223 1.00 0.00 WAT +ATOM 53244 H1 TIP3 15645 29.535 33.936 19.134 1.00 0.00 WAT +ATOM 53245 H2 TIP3 15645 28.654 33.778 17.920 1.00 0.00 WAT +ATOM 53246 OH2 TIP3 15646 14.611 35.458 23.002 1.00 0.00 WAT +ATOM 53247 H1 TIP3 15646 15.087 34.610 23.054 1.00 0.00 WAT +ATOM 53248 H2 TIP3 15646 15.299 36.073 23.319 1.00 0.00 WAT +ATOM 53249 OH2 TIP3 15647 13.174 38.131 24.015 1.00 0.00 WAT +ATOM 53250 H1 TIP3 15647 13.785 38.119 23.257 1.00 0.00 WAT +ATOM 53251 H2 TIP3 15647 13.476 38.921 24.482 1.00 0.00 WAT +ATOM 53252 OH2 TIP3 15648 31.366 34.625 30.039 1.00 0.00 WAT +ATOM 53253 H1 TIP3 15648 30.477 35.015 30.125 1.00 0.00 WAT +ATOM 53254 H2 TIP3 15648 31.193 34.000 29.310 1.00 0.00 WAT +ATOM 53255 OH2 TIP3 15649 31.416 34.739 14.912 1.00 0.00 WAT +ATOM 53256 H1 TIP3 15649 31.715 33.951 14.426 1.00 0.00 WAT +ATOM 53257 H2 TIP3 15649 32.222 35.278 14.942 1.00 0.00 WAT +ATOM 53258 OH2 TIP3 15650 13.668 34.480 18.066 1.00 0.00 WAT +ATOM 53259 H1 TIP3 15650 12.719 34.536 17.862 1.00 0.00 WAT +ATOM 53260 H2 TIP3 15650 14.073 35.088 17.416 1.00 0.00 WAT +ATOM 53261 OH2 TIP3 15651 13.713 33.416 26.246 1.00 0.00 WAT +ATOM 53262 H1 TIP3 15651 13.005 33.086 26.815 1.00 0.00 WAT +ATOM 53263 H2 TIP3 15651 13.205 33.872 25.554 1.00 0.00 WAT +ATOM 53264 OH2 TIP3 15652 30.114 32.680 28.289 1.00 0.00 WAT +ATOM 53265 H1 TIP3 15652 29.302 32.943 27.826 1.00 0.00 WAT +ATOM 53266 H2 TIP3 15652 30.317 31.823 27.864 1.00 0.00 WAT +ATOM 53267 OH2 TIP3 15653 23.606 34.292 22.504 1.00 0.00 WAT +ATOM 53268 H1 TIP3 15653 22.910 33.620 22.640 1.00 0.00 WAT +ATOM 53269 H2 TIP3 15653 24.185 33.844 21.868 1.00 0.00 WAT +ATOM 53270 OH2 TIP3 15654 28.554 32.353 22.962 1.00 0.00 WAT +ATOM 53271 H1 TIP3 15654 29.304 32.771 22.506 1.00 0.00 WAT +ATOM 53272 H2 TIP3 15654 27.802 32.590 22.391 1.00 0.00 WAT +ATOM 53273 OH2 TIP3 15655 30.641 33.414 20.832 1.00 0.00 WAT +ATOM 53274 H1 TIP3 15655 31.339 33.002 20.292 1.00 0.00 WAT +ATOM 53275 H2 TIP3 15655 30.953 34.338 20.898 1.00 0.00 WAT +ATOM 53276 OH2 TIP3 15656 15.950 33.003 20.046 1.00 0.00 WAT +ATOM 53277 H1 TIP3 15656 15.091 32.877 19.597 1.00 0.00 WAT +ATOM 53278 H2 TIP3 15656 16.368 32.134 19.894 1.00 0.00 WAT +ATOM 53279 OH2 TIP3 15657 14.765 32.501 15.917 1.00 0.00 WAT +ATOM 53280 H1 TIP3 15657 15.275 33.156 15.404 1.00 0.00 WAT +ATOM 53281 H2 TIP3 15657 14.361 33.050 16.608 1.00 0.00 WAT +ATOM 53282 OH2 TIP3 15658 20.420 32.855 19.911 1.00 0.00 WAT +ATOM 53283 H1 TIP3 15658 21.345 33.121 19.778 1.00 0.00 WAT +ATOM 53284 H2 TIP3 15658 20.392 32.744 20.868 1.00 0.00 WAT +ATOM 53285 OH2 TIP3 15659 26.038 32.871 21.341 1.00 0.00 WAT +ATOM 53286 H1 TIP3 15659 26.271 32.712 20.416 1.00 0.00 WAT +ATOM 53287 H2 TIP3 15659 25.618 32.024 21.585 1.00 0.00 WAT +ATOM 53288 OH2 TIP3 15660 27.129 32.882 17.311 1.00 0.00 WAT +ATOM 53289 H1 TIP3 15660 26.305 33.388 17.175 1.00 0.00 WAT +ATOM 53290 H2 TIP3 15660 26.775 31.985 17.449 1.00 0.00 WAT +ATOM 53291 OH2 TIP3 15661 16.474 34.321 14.354 1.00 0.00 WAT +ATOM 53292 H1 TIP3 15661 17.081 33.763 13.839 1.00 0.00 WAT +ATOM 53293 H2 TIP3 15661 17.073 34.653 15.051 1.00 0.00 WAT +ATOM 53294 OH2 TIP3 15662 21.574 34.507 16.963 1.00 0.00 WAT +ATOM 53295 H1 TIP3 15662 21.911 33.929 17.664 1.00 0.00 WAT +ATOM 53296 H2 TIP3 15662 21.769 35.377 17.345 1.00 0.00 WAT +ATOM 53297 OH2 TIP3 15663 15.739 33.251 29.581 1.00 0.00 WAT +ATOM 53298 H1 TIP3 15663 15.345 32.425 29.917 1.00 0.00 WAT +ATOM 53299 H2 TIP3 15663 16.670 33.116 29.814 1.00 0.00 WAT +ATOM 53300 OH2 TIP3 15664 18.157 32.642 31.324 1.00 0.00 WAT +ATOM 53301 H1 TIP3 15664 18.958 32.280 30.896 1.00 0.00 WAT +ATOM 53302 H2 TIP3 15664 17.779 31.839 31.719 1.00 0.00 WAT +ATOM 53303 OH2 TIP3 15665 27.077 31.466 31.453 1.00 0.00 WAT +ATOM 53304 H1 TIP3 15665 26.441 31.418 32.193 1.00 0.00 WAT +ATOM 53305 H2 TIP3 15665 27.026 32.386 31.149 1.00 0.00 WAT +ATOM 53306 OH2 TIP3 15666 41.951 40.932 23.494 1.00 0.00 WAT +ATOM 53307 H1 TIP3 15666 42.665 41.196 24.099 1.00 0.00 WAT +ATOM 53308 H2 TIP3 15666 42.383 40.941 22.638 1.00 0.00 WAT +ATOM 53309 OH2 TIP3 15667 35.088 40.827 25.024 1.00 0.00 WAT +ATOM 53310 H1 TIP3 15667 35.067 40.092 25.658 1.00 0.00 WAT +ATOM 53311 H2 TIP3 15667 35.838 41.336 25.363 1.00 0.00 WAT +ATOM 53312 OH2 TIP3 15668 32.792 38.841 18.933 1.00 0.00 WAT +ATOM 53313 H1 TIP3 15668 32.365 39.712 19.010 1.00 0.00 WAT +ATOM 53314 H2 TIP3 15668 32.091 38.323 18.517 1.00 0.00 WAT +ATOM 53315 OH2 TIP3 15669 33.680 41.261 20.813 1.00 0.00 WAT +ATOM 53316 H1 TIP3 15669 33.752 40.490 21.405 1.00 0.00 WAT +ATOM 53317 H2 TIP3 15669 34.523 41.192 20.350 1.00 0.00 WAT +ATOM 53318 OH2 TIP3 15670 37.389 36.055 21.602 1.00 0.00 WAT +ATOM 53319 H1 TIP3 15670 37.559 36.899 21.136 1.00 0.00 WAT +ATOM 53320 H2 TIP3 15670 37.085 35.516 20.843 1.00 0.00 WAT +ATOM 53321 OH2 TIP3 15671 34.219 38.686 22.099 1.00 0.00 WAT +ATOM 53322 H1 TIP3 15671 34.801 38.145 22.643 1.00 0.00 WAT +ATOM 53323 H2 TIP3 15671 34.314 38.258 21.228 1.00 0.00 WAT +ATOM 53324 OH2 TIP3 15672 39.539 40.135 21.522 1.00 0.00 WAT +ATOM 53325 H1 TIP3 15672 40.230 39.575 21.925 1.00 0.00 WAT +ATOM 53326 H2 TIP3 15672 39.009 39.474 21.044 1.00 0.00 WAT +ATOM 53327 OH2 TIP3 15673 38.934 42.663 25.481 1.00 0.00 WAT +ATOM 53328 H1 TIP3 15673 38.155 43.229 25.569 1.00 0.00 WAT +ATOM 53329 H2 TIP3 15673 39.636 43.327 25.470 1.00 0.00 WAT +ATOM 53330 OH2 TIP3 15674 35.878 36.596 23.851 1.00 0.00 WAT +ATOM 53331 H1 TIP3 15674 36.332 37.432 24.097 1.00 0.00 WAT +ATOM 53332 H2 TIP3 15674 36.343 36.363 23.012 1.00 0.00 WAT +ATOM 53333 OH2 TIP3 15675 40.049 32.468 22.890 1.00 0.00 WAT +ATOM 53334 H1 TIP3 15675 40.052 31.494 22.873 1.00 0.00 WAT +ATOM 53335 H2 TIP3 15675 39.268 32.630 23.430 1.00 0.00 WAT +ATOM 53336 OH2 TIP3 15676 42.681 41.230 17.453 1.00 0.00 WAT +ATOM 53337 H1 TIP3 15676 41.977 41.888 17.270 1.00 0.00 WAT +ATOM 53338 H2 TIP3 15676 43.268 41.421 16.721 1.00 0.00 WAT +ATOM 53339 OH2 TIP3 15677 42.856 39.545 14.768 1.00 0.00 WAT +ATOM 53340 H1 TIP3 15677 43.739 39.605 15.157 1.00 0.00 WAT +ATOM 53341 H2 TIP3 15677 42.968 38.947 14.021 1.00 0.00 WAT +ATOM 53342 OH2 TIP3 15678 37.594 42.043 20.474 1.00 0.00 WAT +ATOM 53343 H1 TIP3 15678 37.414 41.780 19.555 1.00 0.00 WAT +ATOM 53344 H2 TIP3 15678 38.402 41.539 20.674 1.00 0.00 WAT +ATOM 53345 OH2 TIP3 15679 38.089 40.732 23.822 1.00 0.00 WAT +ATOM 53346 H1 TIP3 15679 38.736 40.736 23.086 1.00 0.00 WAT +ATOM 53347 H2 TIP3 15679 38.462 41.424 24.411 1.00 0.00 WAT +ATOM 53348 OH2 TIP3 15680 35.960 41.474 27.726 1.00 0.00 WAT +ATOM 53349 H1 TIP3 15680 36.097 42.113 28.463 1.00 0.00 WAT +ATOM 53350 H2 TIP3 15680 34.989 41.423 27.717 1.00 0.00 WAT +ATOM 53351 OH2 TIP3 15681 36.465 40.879 17.963 1.00 0.00 WAT +ATOM 53352 H1 TIP3 15681 36.306 41.668 17.404 1.00 0.00 WAT +ATOM 53353 H2 TIP3 15681 35.828 40.246 17.612 1.00 0.00 WAT +ATOM 53354 OH2 TIP3 15682 32.443 43.110 26.750 1.00 0.00 WAT +ATOM 53355 H1 TIP3 15682 32.440 42.936 25.795 1.00 0.00 WAT +ATOM 53356 H2 TIP3 15682 32.761 42.259 27.109 1.00 0.00 WAT +ATOM 53357 OH2 TIP3 15683 42.308 32.839 27.926 1.00 0.00 WAT +ATOM 53358 H1 TIP3 15683 42.489 32.140 28.574 1.00 0.00 WAT +ATOM 53359 H2 TIP3 15683 41.394 32.627 27.671 1.00 0.00 WAT +ATOM 53360 OH2 TIP3 15684 42.344 35.609 14.667 1.00 0.00 WAT +ATOM 53361 H1 TIP3 15684 41.696 35.480 15.373 1.00 0.00 WAT +ATOM 53362 H2 TIP3 15684 42.021 34.979 14.007 1.00 0.00 WAT +ATOM 53363 OH2 TIP3 15685 37.636 38.238 25.113 1.00 0.00 WAT +ATOM 53364 H1 TIP3 15685 37.197 38.575 25.915 1.00 0.00 WAT +ATOM 53365 H2 TIP3 15685 37.910 39.086 24.691 1.00 0.00 WAT +ATOM 53366 OH2 TIP3 15686 37.748 38.308 19.985 1.00 0.00 WAT +ATOM 53367 H1 TIP3 15686 36.790 38.259 19.811 1.00 0.00 WAT +ATOM 53368 H2 TIP3 15686 38.096 38.173 19.084 1.00 0.00 WAT +ATOM 53369 OH2 TIP3 15687 42.702 38.915 19.490 1.00 0.00 WAT +ATOM 53370 H1 TIP3 15687 42.623 39.825 19.150 1.00 0.00 WAT +ATOM 53371 H2 TIP3 15687 43.644 38.830 19.692 1.00 0.00 WAT +ATOM 53372 OH2 TIP3 15688 35.207 38.376 26.860 1.00 0.00 WAT +ATOM 53373 H1 TIP3 15688 35.378 38.802 27.709 1.00 0.00 WAT +ATOM 53374 H2 TIP3 15688 34.782 37.546 27.131 1.00 0.00 WAT +ATOM 53375 OH2 TIP3 15689 38.629 36.047 13.509 1.00 0.00 WAT +ATOM 53376 H1 TIP3 15689 38.201 35.666 14.299 1.00 0.00 WAT +ATOM 53377 H2 TIP3 15689 37.876 36.213 12.927 1.00 0.00 WAT +ATOM 53378 OH2 TIP3 15690 32.013 35.929 20.591 1.00 0.00 WAT +ATOM 53379 H1 TIP3 15690 32.636 35.793 21.328 1.00 0.00 WAT +ATOM 53380 H2 TIP3 15690 32.468 35.535 19.830 1.00 0.00 WAT +ATOM 53381 OH2 TIP3 15691 33.609 36.347 16.295 1.00 0.00 WAT +ATOM 53382 H1 TIP3 15691 34.126 36.825 15.612 1.00 0.00 WAT +ATOM 53383 H2 TIP3 15691 32.889 36.982 16.452 1.00 0.00 WAT +ATOM 53384 OH2 TIP3 15692 43.132 39.835 26.048 1.00 0.00 WAT +ATOM 53385 H1 TIP3 15692 43.742 39.155 25.721 1.00 0.00 WAT +ATOM 53386 H2 TIP3 15692 42.696 39.333 26.758 1.00 0.00 WAT +ATOM 53387 OH2 TIP3 15693 40.488 35.739 21.022 1.00 0.00 WAT +ATOM 53388 H1 TIP3 15693 39.550 35.862 21.229 1.00 0.00 WAT +ATOM 53389 H2 TIP3 15693 40.898 36.014 21.860 1.00 0.00 WAT +ATOM 53390 OH2 TIP3 15694 35.069 37.165 19.696 1.00 0.00 WAT +ATOM 53391 H1 TIP3 15694 34.261 37.442 19.226 1.00 0.00 WAT +ATOM 53392 H2 TIP3 15694 35.354 36.377 19.197 1.00 0.00 WAT +ATOM 53393 OH2 TIP3 15695 38.741 37.471 17.324 1.00 0.00 WAT +ATOM 53394 H1 TIP3 15695 39.693 37.652 17.376 1.00 0.00 WAT +ATOM 53395 H2 TIP3 15695 38.434 38.076 16.623 1.00 0.00 WAT +ATOM 53396 OH2 TIP3 15696 37.216 38.759 15.131 1.00 0.00 WAT +ATOM 53397 H1 TIP3 15696 36.626 38.472 14.415 1.00 0.00 WAT +ATOM 53398 H2 TIP3 15696 38.035 38.931 14.635 1.00 0.00 WAT +ATOM 53399 OH2 TIP3 15697 36.078 43.153 29.798 1.00 0.00 WAT +ATOM 53400 H1 TIP3 15697 36.691 43.615 30.403 1.00 0.00 WAT +ATOM 53401 H2 TIP3 15697 35.298 43.051 30.383 1.00 0.00 WAT +ATOM 53402 OH2 TIP3 15698 41.274 37.983 22.673 1.00 0.00 WAT +ATOM 53403 H1 TIP3 15698 42.048 37.899 22.101 1.00 0.00 WAT +ATOM 53404 H2 TIP3 15698 41.718 38.023 23.538 1.00 0.00 WAT +ATOM 53405 OH2 TIP3 15699 36.839 34.875 19.052 1.00 0.00 WAT +ATOM 53406 H1 TIP3 15699 36.271 34.094 19.159 1.00 0.00 WAT +ATOM 53407 H2 TIP3 15699 37.596 34.514 18.575 1.00 0.00 WAT +ATOM 53408 OH2 TIP3 15700 40.150 36.529 25.515 1.00 0.00 WAT +ATOM 53409 H1 TIP3 15700 39.767 37.293 25.059 1.00 0.00 WAT +ATOM 53410 H2 TIP3 15700 40.939 36.937 25.914 1.00 0.00 WAT +ATOM 53411 OH2 TIP3 15701 40.716 43.266 17.088 1.00 0.00 WAT +ATOM 53412 H1 TIP3 15701 39.965 42.893 16.581 1.00 0.00 WAT +ATOM 53413 H2 TIP3 15701 40.391 43.250 17.997 1.00 0.00 WAT +ATOM 53414 OH2 TIP3 15702 35.947 42.393 22.582 1.00 0.00 WAT +ATOM 53415 H1 TIP3 15702 36.626 42.369 21.872 1.00 0.00 WAT +ATOM 53416 H2 TIP3 15702 36.215 41.627 23.112 1.00 0.00 WAT +ATOM 53417 OH2 TIP3 15703 33.108 40.797 28.013 1.00 0.00 WAT +ATOM 53418 H1 TIP3 15703 33.194 40.418 28.909 1.00 0.00 WAT +ATOM 53419 H2 TIP3 15703 32.359 40.307 27.635 1.00 0.00 WAT +ATOM 53420 OH2 TIP3 15704 39.999 40.150 30.113 1.00 0.00 WAT +ATOM 53421 H1 TIP3 15704 39.740 40.209 29.184 1.00 0.00 WAT +ATOM 53422 H2 TIP3 15704 40.896 40.544 30.052 1.00 0.00 WAT +ATOM 53423 OH2 TIP3 15705 34.086 40.932 14.581 1.00 0.00 WAT +ATOM 53424 H1 TIP3 15705 34.667 41.551 15.048 1.00 0.00 WAT +ATOM 53425 H2 TIP3 15705 33.227 41.107 15.020 1.00 0.00 WAT +ATOM 53426 OH2 TIP3 15706 34.610 35.515 27.391 1.00 0.00 WAT +ATOM 53427 H1 TIP3 15706 33.698 35.801 27.192 1.00 0.00 WAT +ATOM 53428 H2 TIP3 15706 34.423 34.713 27.913 1.00 0.00 WAT +ATOM 53429 OH2 TIP3 15707 35.861 -43.859 16.444 1.00 0.00 WAT +ATOM 53430 H1 TIP3 15707 34.944 -43.531 16.554 1.00 0.00 WAT +ATOM 53431 H2 TIP3 15707 36.302 -43.046 16.155 1.00 0.00 WAT +ATOM 53432 OH2 TIP3 15708 43.229 35.922 26.713 1.00 0.00 WAT +ATOM 53433 H1 TIP3 15708 43.953 35.341 26.956 1.00 0.00 WAT +ATOM 53434 H2 TIP3 15708 42.673 35.343 26.186 1.00 0.00 WAT +ATOM 53435 OH2 TIP3 15709 41.423 36.800 18.420 1.00 0.00 WAT +ATOM 53436 H1 TIP3 15709 42.004 37.539 18.709 1.00 0.00 WAT +ATOM 53437 H2 TIP3 15709 41.031 36.595 19.285 1.00 0.00 WAT +ATOM 53438 OH2 TIP3 15710 41.764 37.958 27.787 1.00 0.00 WAT +ATOM 53439 H1 TIP3 15710 41.945 38.299 28.675 1.00 0.00 WAT +ATOM 53440 H2 TIP3 15710 42.443 37.257 27.709 1.00 0.00 WAT +ATOM 53441 OH2 TIP3 15711 41.953 33.879 19.636 1.00 0.00 WAT +ATOM 53442 H1 TIP3 15711 41.661 34.691 20.110 1.00 0.00 WAT +ATOM 53443 H2 TIP3 15711 42.716 34.215 19.132 1.00 0.00 WAT +ATOM 53444 OH2 TIP3 15712 37.671 34.944 15.892 1.00 0.00 WAT +ATOM 53445 H1 TIP3 15712 37.719 35.732 16.462 1.00 0.00 WAT +ATOM 53446 H2 TIP3 15712 38.492 34.475 16.122 1.00 0.00 WAT +ATOM 53447 OH2 TIP3 15713 34.209 38.001 14.122 1.00 0.00 WAT +ATOM 53448 H1 TIP3 15713 34.349 38.951 14.270 1.00 0.00 WAT +ATOM 53449 H2 TIP3 15713 33.391 37.993 13.609 1.00 0.00 WAT +ATOM 53450 OH2 TIP3 15714 35.598 33.086 23.092 1.00 0.00 WAT +ATOM 53451 H1 TIP3 15714 35.485 33.180 22.127 1.00 0.00 WAT +ATOM 53452 H2 TIP3 15714 35.116 32.259 23.272 1.00 0.00 WAT +ATOM 53453 OH2 TIP3 15715 33.635 43.068 30.973 1.00 0.00 WAT +ATOM 53454 H1 TIP3 15715 33.451 42.111 30.936 1.00 0.00 WAT +ATOM 53455 H2 TIP3 15715 32.845 43.477 30.610 1.00 0.00 WAT +ATOM 53456 OH2 TIP3 15716 39.482 43.235 30.494 1.00 0.00 WAT +ATOM 53457 H1 TIP3 15716 39.572 43.437 29.542 1.00 0.00 WAT +ATOM 53458 H2 TIP3 15716 40.154 42.533 30.581 1.00 0.00 WAT +ATOM 53459 OH2 TIP3 15717 34.237 40.253 30.636 1.00 0.00 WAT +ATOM 53460 H1 TIP3 15717 34.959 39.610 30.582 1.00 0.00 WAT +ATOM 53461 H2 TIP3 15717 34.244 40.459 31.589 1.00 0.00 WAT +ATOM 53462 OH2 TIP3 15718 38.771 41.628 15.796 1.00 0.00 WAT +ATOM 53463 H1 TIP3 15718 38.114 41.137 16.303 1.00 0.00 WAT +ATOM 53464 H2 TIP3 15718 38.994 41.001 15.086 1.00 0.00 WAT +ATOM 53465 OH2 TIP3 15719 37.926 39.284 27.944 1.00 0.00 WAT +ATOM 53466 H1 TIP3 15719 37.425 40.081 28.194 1.00 0.00 WAT +ATOM 53467 H2 TIP3 15719 38.629 39.668 27.384 1.00 0.00 WAT +ATOM 53468 OH2 TIP3 15720 39.772 39.552 14.011 1.00 0.00 WAT +ATOM 53469 H1 TIP3 15720 39.708 39.672 13.045 1.00 0.00 WAT +ATOM 53470 H2 TIP3 15720 40.721 39.697 14.161 1.00 0.00 WAT +ATOM 53471 OH2 TIP3 15721 38.327 36.402 28.620 1.00 0.00 WAT +ATOM 53472 H1 TIP3 15721 39.117 36.081 28.178 1.00 0.00 WAT +ATOM 53473 H2 TIP3 15721 38.388 37.365 28.489 1.00 0.00 WAT +ATOM 53474 OH2 TIP3 15722 40.375 40.513 26.698 1.00 0.00 WAT +ATOM 53475 H1 TIP3 15722 41.260 40.451 26.291 1.00 0.00 WAT +ATOM 53476 H2 TIP3 15722 40.155 41.439 26.523 1.00 0.00 WAT +ATOM 53477 OH2 TIP3 15723 36.820 38.340 31.038 1.00 0.00 WAT +ATOM 53478 H1 TIP3 15723 36.248 37.573 30.846 1.00 0.00 WAT +ATOM 53479 H2 TIP3 15723 37.543 38.235 30.405 1.00 0.00 WAT +ATOM 53480 OH2 TIP3 15724 39.501 32.825 27.113 1.00 0.00 WAT +ATOM 53481 H1 TIP3 15724 39.498 33.703 26.727 1.00 0.00 WAT +ATOM 53482 H2 TIP3 15724 38.944 32.323 26.482 1.00 0.00 WAT +ATOM 53483 OH2 TIP3 15725 41.124 37.044 30.768 1.00 0.00 WAT +ATOM 53484 H1 TIP3 15725 40.800 36.740 31.627 1.00 0.00 WAT +ATOM 53485 H2 TIP3 15725 40.369 36.899 30.196 1.00 0.00 WAT +ATOM 53486 OH2 TIP3 15726 35.312 35.939 30.686 1.00 0.00 WAT +ATOM 53487 H1 TIP3 15726 35.239 35.164 30.104 1.00 0.00 WAT +ATOM 53488 H2 TIP3 15726 35.134 35.538 31.556 1.00 0.00 WAT +ATOM 53489 OH2 TIP3 15727 39.700 32.008 30.133 1.00 0.00 WAT +ATOM 53490 H1 TIP3 15727 40.399 31.330 30.008 1.00 0.00 WAT +ATOM 53491 H2 TIP3 15727 39.623 32.317 29.212 1.00 0.00 WAT +ATOM 53492 OH2 TIP3 15728 32.726 41.878 23.961 1.00 0.00 WAT +ATOM 53493 H1 TIP3 15728 32.811 42.027 23.007 1.00 0.00 WAT +ATOM 53494 H2 TIP3 15728 33.638 41.614 24.206 1.00 0.00 WAT +ATOM 53495 OH2 TIP3 15729 32.790 37.174 30.084 1.00 0.00 WAT +ATOM 53496 H1 TIP3 15729 33.710 36.885 30.232 1.00 0.00 WAT +ATOM 53497 H2 TIP3 15729 32.316 36.325 30.158 1.00 0.00 WAT +ATOM 53498 OH2 TIP3 15730 33.530 35.302 22.917 1.00 0.00 WAT +ATOM 53499 H1 TIP3 15730 34.019 34.472 23.019 1.00 0.00 WAT +ATOM 53500 H2 TIP3 15730 34.115 35.912 23.394 1.00 0.00 WAT +ATOM 53501 OH2 TIP3 15731 32.089 38.113 24.027 1.00 0.00 WAT +ATOM 53502 H1 TIP3 15731 32.617 38.165 23.214 1.00 0.00 WAT +ATOM 53503 H2 TIP3 15731 32.363 38.921 24.481 1.00 0.00 WAT +ATOM 53504 OH2 TIP3 15732 32.522 34.522 18.117 1.00 0.00 WAT +ATOM 53505 H1 TIP3 15732 31.579 34.518 17.876 1.00 0.00 WAT +ATOM 53506 H2 TIP3 15732 32.923 35.089 17.428 1.00 0.00 WAT +ATOM 53507 OH2 TIP3 15733 32.427 33.285 26.311 1.00 0.00 WAT +ATOM 53508 H1 TIP3 15733 31.692 33.026 26.884 1.00 0.00 WAT +ATOM 53509 H2 TIP3 15733 31.969 33.841 25.653 1.00 0.00 WAT +ATOM 53510 OH2 TIP3 15734 42.605 33.784 22.642 1.00 0.00 WAT +ATOM 53511 H1 TIP3 15734 41.673 33.526 22.580 1.00 0.00 WAT +ATOM 53512 H2 TIP3 15734 42.907 33.669 21.734 1.00 0.00 WAT +ATOM 53513 OH2 TIP3 15735 34.834 33.021 20.180 1.00 0.00 WAT +ATOM 53514 H1 TIP3 15735 33.971 32.947 19.730 1.00 0.00 WAT +ATOM 53515 H2 TIP3 15735 35.207 32.138 20.000 1.00 0.00 WAT +ATOM 53516 OH2 TIP3 15736 33.652 32.488 15.927 1.00 0.00 WAT +ATOM 53517 H1 TIP3 15736 34.133 33.152 15.397 1.00 0.00 WAT +ATOM 53518 H2 TIP3 15736 33.202 33.040 16.586 1.00 0.00 WAT +ATOM 53519 OH2 TIP3 15737 39.334 32.831 19.923 1.00 0.00 WAT +ATOM 53520 H1 TIP3 15737 40.258 33.129 19.822 1.00 0.00 WAT +ATOM 53521 H2 TIP3 15737 39.284 32.744 20.883 1.00 0.00 WAT +ATOM 53522 OH2 TIP3 15738 35.320 34.312 14.356 1.00 0.00 WAT +ATOM 53523 H1 TIP3 15738 35.927 33.769 13.824 1.00 0.00 WAT +ATOM 53524 H2 TIP3 15738 35.924 34.652 15.044 1.00 0.00 WAT +ATOM 53525 OH2 TIP3 15739 40.679 34.517 16.918 1.00 0.00 WAT +ATOM 53526 H1 TIP3 15739 40.648 33.904 17.666 1.00 0.00 WAT +ATOM 53527 H2 TIP3 15739 40.597 35.380 17.361 1.00 0.00 WAT +ATOM 53528 OH2 TIP3 15740 34.609 33.305 29.610 1.00 0.00 WAT +ATOM 53529 H1 TIP3 15740 34.165 32.479 29.876 1.00 0.00 WAT +ATOM 53530 H2 TIP3 15740 35.537 33.081 29.732 1.00 0.00 WAT +ATOM 53531 OH2 TIP3 15741 37.190 32.553 31.549 1.00 0.00 WAT +ATOM 53532 H1 TIP3 15741 37.805 32.259 30.845 1.00 0.00 WAT +ATOM 53533 H2 TIP3 15741 36.591 31.785 31.636 1.00 0.00 WAT +ATOM 53534 OH2 TIP3 15742 -32.002 -34.112 39.825 1.00 0.00 WAT +ATOM 53535 H1 TIP3 15742 -31.733 -33.244 40.153 1.00 0.00 WAT +ATOM 53536 H2 TIP3 15742 -32.424 -33.890 38.984 1.00 0.00 WAT +ATOM 53537 OH2 TIP3 15743 -32.790 -34.263 42.590 1.00 0.00 WAT +ATOM 53538 H1 TIP3 15743 -32.790 -35.062 43.147 1.00 0.00 WAT +ATOM 53539 H2 TIP3 15743 -32.741 -34.629 41.689 1.00 0.00 WAT +ATOM 53540 OH2 TIP3 15744 -29.249 -31.533 40.359 1.00 0.00 WAT +ATOM 53541 H1 TIP3 15744 -29.598 -32.196 40.976 1.00 0.00 WAT +ATOM 53542 H2 TIP3 15744 -28.780 -30.985 41.025 1.00 0.00 WAT +ATOM 53543 OH2 TIP3 15745 -39.519 -30.048 42.437 1.00 0.00 WAT +ATOM 53544 H1 TIP3 15745 -39.895 -30.919 42.236 1.00 0.00 WAT +ATOM 53545 H2 TIP3 15745 -38.583 -30.294 42.552 1.00 0.00 WAT +ATOM 53546 OH2 TIP3 15746 -41.866 -35.700 36.833 1.00 0.00 WAT +ATOM 53547 H1 TIP3 15746 -42.163 -35.131 37.575 1.00 0.00 WAT +ATOM 53548 H2 TIP3 15746 -42.150 -36.560 37.133 1.00 0.00 WAT +ATOM 53549 OH2 TIP3 15747 -41.983 -34.416 39.357 1.00 0.00 WAT +ATOM 53550 H1 TIP3 15747 -41.946 -34.787 40.250 1.00 0.00 WAT +ATOM 53551 H2 TIP3 15747 -41.180 -33.886 39.335 1.00 0.00 WAT +ATOM 53552 OH2 TIP3 15748 -32.134 -26.132 41.101 1.00 0.00 WAT +ATOM 53553 H1 TIP3 15748 -31.476 -26.780 40.792 1.00 0.00 WAT +ATOM 53554 H2 TIP3 15748 -32.328 -26.430 42.001 1.00 0.00 WAT +ATOM 53555 OH2 TIP3 15749 -34.770 -32.022 42.746 1.00 0.00 WAT +ATOM 53556 H1 TIP3 15749 -34.317 -32.728 42.258 1.00 0.00 WAT +ATOM 53557 H2 TIP3 15749 -33.978 -31.666 43.206 1.00 0.00 WAT +ATOM 53558 OH2 TIP3 15750 -31.175 -37.236 43.214 1.00 0.00 WAT +ATOM 53559 H1 TIP3 15750 -30.773 -38.093 43.435 1.00 0.00 WAT +ATOM 53560 H2 TIP3 15750 -31.117 -37.217 42.240 1.00 0.00 WAT +ATOM 53561 OH2 TIP3 15751 -38.106 -39.404 40.414 1.00 0.00 WAT +ATOM 53562 H1 TIP3 15751 -37.885 -38.559 39.980 1.00 0.00 WAT +ATOM 53563 H2 TIP3 15751 -38.392 -39.928 39.642 1.00 0.00 WAT +ATOM 53564 OH2 TIP3 15752 -30.125 -39.172 38.738 1.00 0.00 WAT +ATOM 53565 H1 TIP3 15752 -29.554 -39.635 39.389 1.00 0.00 WAT +ATOM 53566 H2 TIP3 15752 -29.457 -38.774 38.161 1.00 0.00 WAT +ATOM 53567 OH2 TIP3 15753 -41.174 -36.730 41.089 1.00 0.00 WAT +ATOM 53568 H1 TIP3 15753 -40.754 -37.371 41.667 1.00 0.00 WAT +ATOM 53569 H2 TIP3 15753 -41.097 -37.171 40.227 1.00 0.00 WAT +ATOM 53570 OH2 TIP3 15754 -36.035 -35.310 40.560 1.00 0.00 WAT +ATOM 53571 H1 TIP3 15754 -35.261 -35.841 40.823 1.00 0.00 WAT +ATOM 53572 H2 TIP3 15754 -36.466 -35.911 39.921 1.00 0.00 WAT +ATOM 53573 OH2 TIP3 15755 -31.719 -30.800 37.958 1.00 0.00 WAT +ATOM 53574 H1 TIP3 15755 -31.996 -31.090 37.088 1.00 0.00 WAT +ATOM 53575 H2 TIP3 15755 -32.191 -29.967 38.092 1.00 0.00 WAT +ATOM 53576 OH2 TIP3 15756 -28.288 -40.124 40.716 1.00 0.00 WAT +ATOM 53577 H1 TIP3 15756 -28.638 -40.662 41.443 1.00 0.00 WAT +ATOM 53578 H2 TIP3 15756 -27.774 -39.486 41.242 1.00 0.00 WAT +ATOM 53579 OH2 TIP3 15757 -38.783 -38.481 42.971 1.00 0.00 WAT +ATOM 53580 H1 TIP3 15757 -39.026 -37.562 42.813 1.00 0.00 WAT +ATOM 53581 H2 TIP3 15757 -38.873 -38.897 42.091 1.00 0.00 WAT +ATOM 53582 OH2 TIP3 15758 -41.820 -31.182 36.282 1.00 0.00 WAT +ATOM 53583 H1 TIP3 15758 -42.645 -31.016 35.783 1.00 0.00 WAT +ATOM 53584 H2 TIP3 15758 -41.911 -30.581 37.042 1.00 0.00 WAT +ATOM 53585 OH2 TIP3 15759 -28.234 -30.576 42.637 1.00 0.00 WAT +ATOM 53586 H1 TIP3 15759 -28.899 -30.578 43.353 1.00 0.00 WAT +ATOM 53587 H2 TIP3 15759 -27.564 -29.989 43.002 1.00 0.00 WAT +ATOM 53588 OH2 TIP3 15760 -35.176 43.795 41.689 1.00 0.00 WAT +ATOM 53589 H1 TIP3 15760 -35.074 42.866 41.935 1.00 0.00 WAT +ATOM 53590 H2 TIP3 15760 -35.886 44.101 42.278 1.00 0.00 WAT +ATOM 53591 OH2 TIP3 15761 -30.237 -27.771 39.652 1.00 0.00 WAT +ATOM 53592 H1 TIP3 15761 -29.734 -28.551 39.336 1.00 0.00 WAT +ATOM 53593 H2 TIP3 15761 -29.584 -27.067 39.508 1.00 0.00 WAT +ATOM 53594 OH2 TIP3 15762 -28.730 -29.874 38.239 1.00 0.00 WAT +ATOM 53595 H1 TIP3 15762 -29.183 -30.338 37.522 1.00 0.00 WAT +ATOM 53596 H2 TIP3 15762 -28.839 -30.519 38.968 1.00 0.00 WAT +ATOM 53597 OH2 TIP3 15763 -32.990 -34.058 36.386 1.00 0.00 WAT +ATOM 53598 H1 TIP3 15763 -33.652 -33.582 35.863 1.00 0.00 WAT +ATOM 53599 H2 TIP3 15763 -32.238 -34.102 35.771 1.00 0.00 WAT +ATOM 53600 OH2 TIP3 15764 -32.674 -35.941 33.476 1.00 0.00 WAT +ATOM 53601 H1 TIP3 15764 -31.957 -35.644 34.066 1.00 0.00 WAT +ATOM 53602 H2 TIP3 15764 -32.184 -36.535 32.890 1.00 0.00 WAT +ATOM 53603 OH2 TIP3 15765 -29.454 -34.157 37.494 1.00 0.00 WAT +ATOM 53604 H1 TIP3 15765 -30.052 -33.886 38.205 1.00 0.00 WAT +ATOM 53605 H2 TIP3 15765 -28.816 -34.713 37.982 1.00 0.00 WAT +ATOM 53606 OH2 TIP3 15766 -37.760 -33.316 39.215 1.00 0.00 WAT +ATOM 53607 H1 TIP3 15766 -38.179 -33.779 38.463 1.00 0.00 WAT +ATOM 53608 H2 TIP3 15766 -37.234 -34.024 39.623 1.00 0.00 WAT +ATOM 53609 OH2 TIP3 15767 -36.740 -30.096 41.544 1.00 0.00 WAT +ATOM 53610 H1 TIP3 15767 -36.627 -30.593 40.725 1.00 0.00 WAT +ATOM 53611 H2 TIP3 15767 -35.978 -30.383 42.064 1.00 0.00 WAT +ATOM 53612 OH2 TIP3 15768 -37.658 -34.495 42.704 1.00 0.00 WAT +ATOM 53613 H1 TIP3 15768 -36.978 -34.673 42.024 1.00 0.00 WAT +ATOM 53614 H2 TIP3 15768 -37.123 -34.293 43.480 1.00 0.00 WAT +ATOM 53615 OH2 TIP3 15769 -30.512 -34.680 34.952 1.00 0.00 WAT +ATOM 53616 H1 TIP3 15769 -30.010 -34.432 35.756 1.00 0.00 WAT +ATOM 53617 H2 TIP3 15769 -30.001 -34.188 34.261 1.00 0.00 WAT +ATOM 53618 OH2 TIP3 15770 -33.044 -28.005 38.305 1.00 0.00 WAT +ATOM 53619 H1 TIP3 15770 -32.535 -27.949 39.131 1.00 0.00 WAT +ATOM 53620 H2 TIP3 15770 -33.687 -27.292 38.407 1.00 0.00 WAT +ATOM 53621 OH2 TIP3 15771 -27.296 -43.215 34.152 1.00 0.00 WAT +ATOM 53622 H1 TIP3 15771 -27.731 -43.238 35.018 1.00 0.00 WAT +ATOM 53623 H2 TIP3 15771 -26.508 -42.701 34.379 1.00 0.00 WAT +ATOM 53624 OH2 TIP3 15772 -38.931 -34.640 36.781 1.00 0.00 WAT +ATOM 53625 H1 TIP3 15772 -39.193 -33.880 36.236 1.00 0.00 WAT +ATOM 53626 H2 TIP3 15772 -39.681 -35.241 36.636 1.00 0.00 WAT +ATOM 53627 OH2 TIP3 15773 -25.650 -28.815 32.951 1.00 0.00 WAT +ATOM 53628 H1 TIP3 15773 -25.481 -27.880 33.185 1.00 0.00 WAT +ATOM 53629 H2 TIP3 15773 -24.793 -29.230 33.166 1.00 0.00 WAT +ATOM 53630 OH2 TIP3 15774 -42.863 -28.994 42.139 1.00 0.00 WAT +ATOM 53631 H1 TIP3 15774 -42.097 -29.496 42.448 1.00 0.00 WAT +ATOM 53632 H2 TIP3 15774 -43.084 -28.523 42.948 1.00 0.00 WAT +ATOM 53633 OH2 TIP3 15775 -33.728 -25.143 36.301 1.00 0.00 WAT +ATOM 53634 H1 TIP3 15775 -32.822 -25.262 35.990 1.00 0.00 WAT +ATOM 53635 H2 TIP3 15775 -33.564 -24.629 37.113 1.00 0.00 WAT +ATOM 53636 OH2 TIP3 15776 -39.738 -26.284 38.610 1.00 0.00 WAT +ATOM 53637 H1 TIP3 15776 -39.504 -26.675 39.477 1.00 0.00 WAT +ATOM 53638 H2 TIP3 15776 -40.551 -26.781 38.423 1.00 0.00 WAT +ATOM 53639 OH2 TIP3 15777 -30.603 -26.169 34.186 1.00 0.00 WAT +ATOM 53640 H1 TIP3 15777 -30.020 -26.676 33.594 1.00 0.00 WAT +ATOM 53641 H2 TIP3 15777 -30.291 -26.496 35.044 1.00 0.00 WAT +ATOM 53642 OH2 TIP3 15778 -31.273 -26.111 37.336 1.00 0.00 WAT +ATOM 53643 H1 TIP3 15778 -32.064 -26.668 37.360 1.00 0.00 WAT +ATOM 53644 H2 TIP3 15778 -30.606 -26.780 37.588 1.00 0.00 WAT +ATOM 53645 OH2 TIP3 15779 -37.733 -42.114 42.977 1.00 0.00 WAT +ATOM 53646 H1 TIP3 15779 -38.438 -42.116 42.321 1.00 0.00 WAT +ATOM 53647 H2 TIP3 15779 -37.494 -41.173 43.055 1.00 0.00 WAT +ATOM 53648 OH2 TIP3 15780 -28.950 -33.617 32.955 1.00 0.00 WAT +ATOM 53649 H1 TIP3 15780 -29.143 -33.794 32.014 1.00 0.00 WAT +ATOM 53650 H2 TIP3 15780 -28.008 -33.370 32.903 1.00 0.00 WAT +ATOM 53651 OH2 TIP3 15781 -33.293 -39.925 33.408 1.00 0.00 WAT +ATOM 53652 H1 TIP3 15781 -33.824 -40.051 34.220 1.00 0.00 WAT +ATOM 53653 H2 TIP3 15781 -33.781 -40.534 32.812 1.00 0.00 WAT +ATOM 53654 OH2 TIP3 15782 -37.669 -37.060 38.839 1.00 0.00 WAT +ATOM 53655 H1 TIP3 15782 -38.624 -37.116 38.656 1.00 0.00 WAT +ATOM 53656 H2 TIP3 15782 -37.312 -37.268 37.951 1.00 0.00 WAT +ATOM 53657 OH2 TIP3 15783 -32.035 -36.471 37.615 1.00 0.00 WAT +ATOM 53658 H1 TIP3 15783 -32.474 -35.674 37.256 1.00 0.00 WAT +ATOM 53659 H2 TIP3 15783 -31.378 -36.663 36.925 1.00 0.00 WAT +ATOM 53660 OH2 TIP3 15784 -31.257 -37.121 40.444 1.00 0.00 WAT +ATOM 53661 H1 TIP3 15784 -31.562 -36.516 39.738 1.00 0.00 WAT +ATOM 53662 H2 TIP3 15784 -31.042 -37.912 39.907 1.00 0.00 WAT +ATOM 53663 OH2 TIP3 15785 -36.906 -39.366 32.381 1.00 0.00 WAT +ATOM 53664 H1 TIP3 15785 -37.241 -39.789 33.191 1.00 0.00 WAT +ATOM 53665 H2 TIP3 15785 -37.693 -39.285 31.830 1.00 0.00 WAT +ATOM 53666 OH2 TIP3 15786 -43.231 -39.422 39.327 1.00 0.00 WAT +ATOM 53667 H1 TIP3 15786 -43.011 -39.606 40.259 1.00 0.00 WAT +ATOM 53668 H2 TIP3 15786 -42.853 -40.178 38.874 1.00 0.00 WAT +ATOM 53669 OH2 TIP3 15787 -42.135 -38.807 35.330 1.00 0.00 WAT +ATOM 53670 H1 TIP3 15787 -41.520 -38.637 34.588 1.00 0.00 WAT +ATOM 53671 H2 TIP3 15787 -42.978 -38.589 34.918 1.00 0.00 WAT +ATOM 53672 OH2 TIP3 15788 -34.969 -39.397 39.827 1.00 0.00 WAT +ATOM 53673 H1 TIP3 15788 -35.891 -39.604 40.052 1.00 0.00 WAT +ATOM 53674 H2 TIP3 15788 -34.498 -39.742 40.603 1.00 0.00 WAT +ATOM 53675 OH2 TIP3 15789 -40.368 -38.221 38.472 1.00 0.00 WAT +ATOM 53676 H1 TIP3 15789 -41.219 -38.211 38.027 1.00 0.00 WAT +ATOM 53677 H2 TIP3 15789 -39.985 -39.058 38.142 1.00 0.00 WAT +ATOM 53678 OH2 TIP3 15790 -36.719 -37.902 36.233 1.00 0.00 WAT +ATOM 53679 H1 TIP3 15790 -35.746 -37.868 36.270 1.00 0.00 WAT +ATOM 53680 H2 TIP3 15790 -36.943 -37.308 35.497 1.00 0.00 WAT +ATOM 53681 OH2 TIP3 15791 -30.554 -40.716 42.700 1.00 0.00 WAT +ATOM 53682 H1 TIP3 15791 -30.880 -40.471 43.581 1.00 0.00 WAT +ATOM 53683 H2 TIP3 15791 -31.368 -40.761 42.175 1.00 0.00 WAT +ATOM 53684 OH2 TIP3 15792 -38.248 -36.662 33.966 1.00 0.00 WAT +ATOM 53685 H1 TIP3 15792 -38.830 -36.989 33.265 1.00 0.00 WAT +ATOM 53686 H2 TIP3 15792 -37.426 -36.496 33.474 1.00 0.00 WAT +ATOM 53687 OH2 TIP3 15793 -34.032 -37.072 41.927 1.00 0.00 WAT +ATOM 53688 H1 TIP3 15793 -33.314 -37.370 41.346 1.00 0.00 WAT +ATOM 53689 H2 TIP3 15793 -33.977 -37.726 42.639 1.00 0.00 WAT +ATOM 53690 OH2 TIP3 15794 -38.794 -40.596 37.913 1.00 0.00 WAT +ATOM 53691 H1 TIP3 15794 -39.203 -41.466 38.045 1.00 0.00 WAT +ATOM 53692 H2 TIP3 15794 -37.934 -40.841 37.536 1.00 0.00 WAT +ATOM 53693 OH2 TIP3 15795 -34.922 -31.906 35.764 1.00 0.00 WAT +ATOM 53694 H1 TIP3 15795 -35.594 -32.538 35.424 1.00 0.00 WAT +ATOM 53695 H2 TIP3 15795 -34.975 -32.048 36.732 1.00 0.00 WAT +ATOM 53696 OH2 TIP3 15796 -30.612 -39.304 33.433 1.00 0.00 WAT +ATOM 53697 H1 TIP3 15796 -31.593 -39.386 33.467 1.00 0.00 WAT +ATOM 53698 H2 TIP3 15796 -30.425 -38.627 34.113 1.00 0.00 WAT +ATOM 53699 OH2 TIP3 15797 -29.964 -37.482 35.594 1.00 0.00 WAT +ATOM 53700 H1 TIP3 15797 -29.102 -37.640 36.029 1.00 0.00 WAT +ATOM 53701 H2 TIP3 15797 -29.832 -36.607 35.191 1.00 0.00 WAT +ATOM 53702 OH2 TIP3 15798 -39.684 -33.092 41.525 1.00 0.00 WAT +ATOM 53703 H1 TIP3 15798 -39.022 -32.913 40.841 1.00 0.00 WAT +ATOM 53704 H2 TIP3 15798 -39.181 -33.706 42.097 1.00 0.00 WAT +ATOM 53705 OH2 TIP3 15799 -32.485 -30.536 34.710 1.00 0.00 WAT +ATOM 53706 H1 TIP3 15799 -32.715 -29.751 35.219 1.00 0.00 WAT +ATOM 53707 H2 TIP3 15799 -33.152 -31.177 35.011 1.00 0.00 WAT +ATOM 53708 OH2 TIP3 15800 -25.343 -37.454 35.393 1.00 0.00 WAT +ATOM 53709 H1 TIP3 15800 -25.900 -37.655 34.615 1.00 0.00 WAT +ATOM 53710 H2 TIP3 15800 -25.224 -36.494 35.248 1.00 0.00 WAT +ATOM 53711 OH2 TIP3 15801 -27.322 -29.048 35.290 1.00 0.00 WAT +ATOM 53712 H1 TIP3 15801 -27.293 -29.659 36.037 1.00 0.00 WAT +ATOM 53713 H2 TIP3 15801 -26.514 -29.235 34.799 1.00 0.00 WAT +ATOM 53714 OH2 TIP3 15802 -30.151 -33.281 42.407 1.00 0.00 WAT +ATOM 53715 H1 TIP3 15802 -30.942 -33.716 42.772 1.00 0.00 WAT +ATOM 53716 H2 TIP3 15802 -29.649 -34.042 42.062 1.00 0.00 WAT +ATOM 53717 OH2 TIP3 15803 -37.236 -29.374 38.657 1.00 0.00 WAT +ATOM 53718 H1 TIP3 15803 -36.871 -28.474 38.657 1.00 0.00 WAT +ATOM 53719 H2 TIP3 15803 -38.186 -29.195 38.680 1.00 0.00 WAT +ATOM 53720 OH2 TIP3 15804 -41.532 -34.453 33.562 1.00 0.00 WAT +ATOM 53721 H1 TIP3 15804 -40.816 -33.944 33.991 1.00 0.00 WAT +ATOM 53722 H2 TIP3 15804 -42.293 -33.902 33.788 1.00 0.00 WAT +ATOM 53723 OH2 TIP3 15805 -35.432 -31.667 38.661 1.00 0.00 WAT +ATOM 53724 H1 TIP3 15805 -35.857 -30.793 38.638 1.00 0.00 WAT +ATOM 53725 H2 TIP3 15805 -36.174 -32.237 38.928 1.00 0.00 WAT +ATOM 53726 OH2 TIP3 15806 -36.763 -26.609 37.864 1.00 0.00 WAT +ATOM 53727 H1 TIP3 15806 -37.724 -26.480 37.860 1.00 0.00 WAT +ATOM 53728 H2 TIP3 15806 -36.454 -25.725 38.131 1.00 0.00 WAT +ATOM 53729 OH2 TIP3 15807 -29.724 -30.377 33.347 1.00 0.00 WAT +ATOM 53730 H1 TIP3 15807 -29.237 -30.779 34.088 1.00 0.00 WAT +ATOM 53731 H2 TIP3 15807 -30.630 -30.518 33.657 1.00 0.00 WAT +ATOM 53732 OH2 TIP3 15808 -24.908 -26.184 33.789 1.00 0.00 WAT +ATOM 53733 H1 TIP3 15808 -24.213 -25.513 33.670 1.00 0.00 WAT +ATOM 53734 H2 TIP3 15808 -25.677 -25.598 33.886 1.00 0.00 WAT +ATOM 53735 OH2 TIP3 15809 -28.764 -31.822 35.770 1.00 0.00 WAT +ATOM 53736 H1 TIP3 15809 -28.953 -32.569 36.360 1.00 0.00 WAT +ATOM 53737 H2 TIP3 15809 -27.791 -31.790 35.793 1.00 0.00 WAT +ATOM 53738 OH2 TIP3 15810 -35.422 -29.307 31.963 1.00 0.00 WAT +ATOM 53739 H1 TIP3 15810 -35.100 -30.049 31.417 1.00 0.00 WAT +ATOM 53740 H2 TIP3 15810 -35.835 -29.786 32.698 1.00 0.00 WAT +ATOM 53741 OH2 TIP3 15811 -36.529 -29.469 34.779 1.00 0.00 WAT +ATOM 53742 H1 TIP3 15811 -36.186 -30.259 35.231 1.00 0.00 WAT +ATOM 53743 H2 TIP3 15811 -36.352 -28.779 35.428 1.00 0.00 WAT +ATOM 53744 OH2 TIP3 15812 -39.856 -32.429 34.989 1.00 0.00 WAT +ATOM 53745 H1 TIP3 15812 -40.570 -32.054 35.559 1.00 0.00 WAT +ATOM 53746 H2 TIP3 15812 -39.403 -31.605 34.757 1.00 0.00 WAT +ATOM 53747 OH2 TIP3 15813 -31.357 -40.567 36.306 1.00 0.00 WAT +ATOM 53748 H1 TIP3 15813 -31.275 -39.968 35.550 1.00 0.00 WAT +ATOM 53749 H2 TIP3 15813 -30.989 -40.030 37.027 1.00 0.00 WAT +ATOM 53750 OH2 TIP3 15814 -34.043 -38.479 37.306 1.00 0.00 WAT +ATOM 53751 H1 TIP3 15814 -33.269 -37.904 37.470 1.00 0.00 WAT +ATOM 53752 H2 TIP3 15814 -34.339 -38.686 38.216 1.00 0.00 WAT +ATOM 53753 OH2 TIP3 15815 -33.406 -41.719 38.241 1.00 0.00 WAT +ATOM 53754 H1 TIP3 15815 -33.601 -41.000 38.859 1.00 0.00 WAT +ATOM 53755 H2 TIP3 15815 -32.754 -41.307 37.648 1.00 0.00 WAT +ATOM 53756 OH2 TIP3 15816 -37.761 -40.506 34.825 1.00 0.00 WAT +ATOM 53757 H1 TIP3 15816 -37.705 -39.677 35.332 1.00 0.00 WAT +ATOM 53758 H2 TIP3 15816 -36.886 -40.890 35.040 1.00 0.00 WAT +ATOM 53759 OH2 TIP3 15817 -28.948 -35.704 41.406 1.00 0.00 WAT +ATOM 53760 H1 TIP3 15817 -29.739 -36.177 41.092 1.00 0.00 WAT +ATOM 53761 H2 TIP3 15817 -28.396 -36.457 41.723 1.00 0.00 WAT +ATOM 53762 OH2 TIP3 15818 -39.232 -29.590 33.831 1.00 0.00 WAT +ATOM 53763 H1 TIP3 15818 -38.421 -29.226 34.224 1.00 0.00 WAT +ATOM 53764 H2 TIP3 15818 -38.861 -30.162 33.143 1.00 0.00 WAT +ATOM 53765 OH2 TIP3 15819 -41.148 -37.470 32.986 1.00 0.00 WAT +ATOM 53766 H1 TIP3 15819 -41.080 -36.519 33.168 1.00 0.00 WAT +ATOM 53767 H2 TIP3 15819 -41.916 -37.546 32.408 1.00 0.00 WAT +ATOM 53768 OH2 TIP3 15820 -27.937 -26.152 43.660 1.00 0.00 WAT +ATOM 53769 H1 TIP3 15820 -28.143 -25.467 42.994 1.00 0.00 WAT +ATOM 53770 H2 TIP3 15820 -27.017 -26.301 43.410 1.00 0.00 WAT +ATOM 53771 OH2 TIP3 15821 -40.869 -42.379 41.825 1.00 0.00 WAT +ATOM 53772 H1 TIP3 15821 -40.645 -42.483 40.890 1.00 0.00 WAT +ATOM 53773 H2 TIP3 15821 -40.861 -43.305 42.118 1.00 0.00 WAT +ATOM 53774 OH2 TIP3 15822 -41.354 -28.791 37.973 1.00 0.00 WAT +ATOM 53775 H1 TIP3 15822 -42.274 -28.493 38.070 1.00 0.00 WAT +ATOM 53776 H2 TIP3 15822 -41.088 -28.375 37.143 1.00 0.00 WAT +ATOM 53777 OH2 TIP3 15823 -33.449 -27.426 32.662 1.00 0.00 WAT +ATOM 53778 H1 TIP3 15823 -33.992 -28.211 32.426 1.00 0.00 WAT +ATOM 53779 H2 TIP3 15823 -32.559 -27.768 32.460 1.00 0.00 WAT +ATOM 53780 OH2 TIP3 15824 -28.693 -27.670 32.603 1.00 0.00 WAT +ATOM 53781 H1 TIP3 15824 -28.485 -28.412 33.202 1.00 0.00 WAT +ATOM 53782 H2 TIP3 15824 -27.876 -27.622 32.078 1.00 0.00 WAT +ATOM 53783 OH2 TIP3 15825 -37.766 -31.846 32.342 1.00 0.00 WAT +ATOM 53784 H1 TIP3 15825 -37.625 -32.526 33.022 1.00 0.00 WAT +ATOM 53785 H2 TIP3 15825 -36.955 -31.952 31.805 1.00 0.00 WAT +ATOM 53786 OH2 TIP3 15826 -32.618 -30.588 31.886 1.00 0.00 WAT +ATOM 53787 H1 TIP3 15826 -32.582 -30.618 32.857 1.00 0.00 WAT +ATOM 53788 H2 TIP3 15826 -32.603 -31.548 31.681 1.00 0.00 WAT +ATOM 53789 OH2 TIP3 15827 -36.714 -33.839 34.622 1.00 0.00 WAT +ATOM 53790 H1 TIP3 15827 -37.336 -34.348 35.167 1.00 0.00 WAT +ATOM 53791 H2 TIP3 15827 -36.425 -34.526 33.984 1.00 0.00 WAT +ATOM 53792 OH2 TIP3 15828 -35.756 -35.809 32.870 1.00 0.00 WAT +ATOM 53793 H1 TIP3 15828 -35.791 -35.760 31.897 1.00 0.00 WAT +ATOM 53794 H2 TIP3 15828 -34.796 -35.888 33.022 1.00 0.00 WAT +ATOM 53795 OH2 TIP3 15829 -26.263 -33.314 32.195 1.00 0.00 WAT +ATOM 53796 H1 TIP3 15829 -26.347 -33.733 31.325 1.00 0.00 WAT +ATOM 53797 H2 TIP3 15829 -26.338 -32.367 31.951 1.00 0.00 WAT +ATOM 53798 OH2 TIP3 15830 -41.960 -29.701 33.033 1.00 0.00 WAT +ATOM 53799 H1 TIP3 15830 -41.255 -29.794 33.696 1.00 0.00 WAT +ATOM 53800 H2 TIP3 15830 -42.208 -30.620 32.851 1.00 0.00 WAT +ATOM 53801 OH2 TIP3 15831 -42.714 -26.924 40.178 1.00 0.00 WAT +ATOM 53802 H1 TIP3 15831 -42.748 -27.827 40.548 1.00 0.00 WAT +ATOM 53803 H2 TIP3 15831 -42.460 -26.453 40.990 1.00 0.00 WAT +ATOM 53804 OH2 TIP3 15832 -25.184 -25.504 42.904 1.00 0.00 WAT +ATOM 53805 H1 TIP3 15832 -25.048 -25.880 43.790 1.00 0.00 WAT +ATOM 53806 H2 TIP3 15832 -24.271 -25.522 42.594 1.00 0.00 WAT +ATOM 53807 OH2 TIP3 15833 -25.866 -31.933 36.149 1.00 0.00 WAT +ATOM 53808 H1 TIP3 15833 -24.955 -31.608 36.287 1.00 0.00 WAT +ATOM 53809 H2 TIP3 15833 -25.925 -32.579 36.877 1.00 0.00 WAT +ATOM 53810 OH2 TIP3 15834 -25.392 -33.970 38.132 1.00 0.00 WAT +ATOM 53811 H1 TIP3 15834 -26.050 -34.547 38.560 1.00 0.00 WAT +ATOM 53812 H2 TIP3 15834 -24.690 -33.893 38.811 1.00 0.00 WAT +ATOM 53813 OH2 TIP3 15835 -25.641 -31.908 43.550 1.00 0.00 WAT +ATOM 53814 H1 TIP3 15835 -25.014 -32.280 42.920 1.00 0.00 WAT +ATOM 53815 H2 TIP3 15835 -25.665 -30.962 43.324 1.00 0.00 WAT +ATOM 53816 OH2 TIP3 15836 -25.162 -34.552 34.693 1.00 0.00 WAT +ATOM 53817 H1 TIP3 15836 -25.656 -34.246 33.909 1.00 0.00 WAT +ATOM 53818 H2 TIP3 15836 -25.262 -33.791 35.285 1.00 0.00 WAT +ATOM 53819 OH2 TIP3 15837 -26.903 -36.970 32.938 1.00 0.00 WAT +ATOM 53820 H1 TIP3 15837 -26.598 -36.381 32.234 1.00 0.00 WAT +ATOM 53821 H2 TIP3 15837 -27.124 -37.786 32.451 1.00 0.00 WAT +ATOM 53822 OH2 TIP3 15838 -27.520 -35.829 38.924 1.00 0.00 WAT +ATOM 53823 H1 TIP3 15838 -27.537 -36.785 38.746 1.00 0.00 WAT +ATOM 53824 H2 TIP3 15838 -27.846 -35.776 39.840 1.00 0.00 WAT +ATOM 53825 OH2 TIP3 15839 -42.170 -33.008 43.158 1.00 0.00 WAT +ATOM 53826 H1 TIP3 15839 -42.677 -33.303 42.380 1.00 0.00 WAT +ATOM 53827 H2 TIP3 15839 -41.451 -33.650 43.175 1.00 0.00 WAT +ATOM 53828 OH2 TIP3 15840 -27.458 -39.682 32.119 1.00 0.00 WAT +ATOM 53829 H1 TIP3 15840 -26.854 -40.122 32.744 1.00 0.00 WAT +ATOM 53830 H2 TIP3 15840 -28.273 -40.193 32.215 1.00 0.00 WAT +ATOM 53831 OH2 TIP3 15841 -27.633 -38.268 37.114 1.00 0.00 WAT +ATOM 53832 H1 TIP3 15841 -27.465 -39.239 37.177 1.00 0.00 WAT +ATOM 53833 H2 TIP3 15841 -26.806 -37.979 36.690 1.00 0.00 WAT +ATOM 53834 OH2 TIP3 15842 -27.410 -37.746 42.182 1.00 0.00 WAT +ATOM 53835 H1 TIP3 15842 -26.450 -37.743 42.327 1.00 0.00 WAT +ATOM 53836 H2 TIP3 15842 -27.752 -37.829 43.089 1.00 0.00 WAT +ATOM 53837 OH2 TIP3 15843 -27.333 -40.986 37.195 1.00 0.00 WAT +ATOM 53838 H1 TIP3 15843 -27.103 -41.488 37.992 1.00 0.00 WAT +ATOM 53839 H2 TIP3 15843 -27.952 -41.602 36.758 1.00 0.00 WAT +ATOM 53840 OH2 TIP3 15844 -41.690 -39.725 41.907 1.00 0.00 WAT +ATOM 53841 H1 TIP3 15844 -41.638 -40.701 41.997 1.00 0.00 WAT +ATOM 53842 H2 TIP3 15844 -41.133 -39.468 42.649 1.00 0.00 WAT +ATOM 53843 OH2 TIP3 15845 -43.428 -37.123 43.182 1.00 0.00 WAT +ATOM 53844 H1 TIP3 15845 -43.093 -37.590 42.402 1.00 0.00 WAT +ATOM 53845 H2 TIP3 15845 -42.988 -36.269 43.096 1.00 0.00 WAT +ATOM 53846 OH2 TIP3 15846 -25.204 -40.559 33.783 1.00 0.00 WAT +ATOM 53847 H1 TIP3 15846 -25.021 -41.422 33.355 1.00 0.00 WAT +ATOM 53848 H2 TIP3 15846 -24.330 -40.148 33.829 1.00 0.00 WAT +ATOM 53849 OH2 TIP3 15847 -43.136 -41.068 36.544 1.00 0.00 WAT +ATOM 53850 H1 TIP3 15847 -43.974 -40.777 36.161 1.00 0.00 WAT +ATOM 53851 H2 TIP3 15847 -42.534 -40.373 36.198 1.00 0.00 WAT +ATOM 53852 OH2 TIP3 15848 -28.120 -25.728 39.113 1.00 0.00 WAT +ATOM 53853 H1 TIP3 15848 -27.437 -26.370 38.899 1.00 0.00 WAT +ATOM 53854 H2 TIP3 15848 -27.701 -25.250 39.855 1.00 0.00 WAT +ATOM 53855 OH2 TIP3 15849 -41.519 -26.432 42.665 1.00 0.00 WAT +ATOM 53856 H1 TIP3 15849 -41.320 -26.597 43.598 1.00 0.00 WAT +ATOM 53857 H2 TIP3 15849 -40.665 -26.659 42.263 1.00 0.00 WAT +ATOM 53858 OH2 TIP3 15850 -39.088 -27.495 41.157 1.00 0.00 WAT +ATOM 53859 H1 TIP3 15850 -39.264 -28.412 41.456 1.00 0.00 WAT +ATOM 53860 H2 TIP3 15850 -38.202 -27.337 41.523 1.00 0.00 WAT +ATOM 53861 OH2 TIP3 15851 -36.264 -27.021 42.122 1.00 0.00 WAT +ATOM 53862 H1 TIP3 15851 -36.114 -27.924 41.800 1.00 0.00 WAT +ATOM 53863 H2 TIP3 15851 -36.298 -27.178 43.072 1.00 0.00 WAT +ATOM 53864 OH2 TIP3 15852 -33.022 -41.095 41.273 1.00 0.00 WAT +ATOM 53865 H1 TIP3 15852 -33.637 -41.808 41.523 1.00 0.00 WAT +ATOM 53866 H2 TIP3 15852 -32.347 -41.593 40.768 1.00 0.00 WAT +ATOM 53867 OH2 TIP3 15853 -27.699 -43.488 41.510 1.00 0.00 WAT +ATOM 53868 H1 TIP3 15853 -27.153 -42.808 41.097 1.00 0.00 WAT +ATOM 53869 H2 TIP3 15853 -28.570 -43.091 41.603 1.00 0.00 WAT +ATOM 53870 OH2 TIP3 15854 -25.766 -42.207 39.557 1.00 0.00 WAT +ATOM 53871 H1 TIP3 15854 -25.188 -42.438 38.826 1.00 0.00 WAT +ATOM 53872 H2 TIP3 15854 -25.565 -41.265 39.700 1.00 0.00 WAT +ATOM 53873 OH2 TIP3 15855 -40.759 -42.805 38.715 1.00 0.00 WAT +ATOM 53874 H1 TIP3 15855 -41.592 -43.156 38.373 1.00 0.00 WAT +ATOM 53875 H2 TIP3 15855 -40.234 -43.599 38.862 1.00 0.00 WAT +ATOM 53876 OH2 TIP3 15856 -42.054 -43.006 34.748 1.00 0.00 WAT +ATOM 53877 H1 TIP3 15856 -41.715 -42.375 34.086 1.00 0.00 WAT +ATOM 53878 H2 TIP3 15856 -42.571 -42.417 35.331 1.00 0.00 WAT +ATOM 53879 OH2 TIP3 15857 -36.174 -42.304 38.909 1.00 0.00 WAT +ATOM 53880 H1 TIP3 15857 -35.232 -42.318 38.671 1.00 0.00 WAT +ATOM 53881 H2 TIP3 15857 -36.203 -42.900 39.667 1.00 0.00 WAT +ATOM 53882 OH2 TIP3 15858 -30.850 -42.692 40.119 1.00 0.00 WAT +ATOM 53883 H1 TIP3 15858 -30.192 -42.707 39.413 1.00 0.00 WAT +ATOM 53884 H2 TIP3 15858 -30.600 -43.461 40.668 1.00 0.00 WAT +ATOM 53885 OH2 TIP3 15859 -29.486 -42.720 36.202 1.00 0.00 WAT +ATOM 53886 H1 TIP3 15859 -30.254 -42.140 36.033 1.00 0.00 WAT +ATOM 53887 H2 TIP3 15859 -29.885 -43.599 36.236 1.00 0.00 WAT +ATOM 53888 OH2 TIP3 15860 -41.822 -26.916 35.671 1.00 0.00 WAT +ATOM 53889 H1 TIP3 15860 -42.531 -27.110 35.048 1.00 0.00 WAT +ATOM 53890 H2 TIP3 15860 -41.859 -25.952 35.722 1.00 0.00 WAT +ATOM 53891 OH2 TIP3 15861 -40.093 -41.118 33.322 1.00 0.00 WAT +ATOM 53892 H1 TIP3 15861 -39.471 -41.572 32.730 1.00 0.00 WAT +ATOM 53893 H2 TIP3 15861 -39.472 -40.708 33.955 1.00 0.00 WAT +ATOM 53894 OH2 TIP3 15862 -34.921 -40.586 35.609 1.00 0.00 WAT +ATOM 53895 H1 TIP3 15862 -34.807 -41.434 36.087 1.00 0.00 WAT +ATOM 53896 H2 TIP3 15862 -34.710 -39.921 36.291 1.00 0.00 WAT +ATOM 53897 OH2 TIP3 15863 -26.015 -26.058 36.520 1.00 0.00 WAT +ATOM 53898 H1 TIP3 15863 -26.536 -26.830 36.232 1.00 0.00 WAT +ATOM 53899 H2 TIP3 15863 -26.295 -25.406 35.857 1.00 0.00 WAT +ATOM 53900 OH2 TIP3 15864 -40.060 -25.898 32.714 1.00 0.00 WAT +ATOM 53901 H1 TIP3 15864 -40.475 -25.726 33.574 1.00 0.00 WAT +ATOM 53902 H2 TIP3 15864 -39.515 -26.672 32.910 1.00 0.00 WAT +ATOM 53903 OH2 TIP3 15865 -12.800 -33.645 39.276 1.00 0.00 WAT +ATOM 53904 H1 TIP3 15865 -12.834 -32.676 39.246 1.00 0.00 WAT +ATOM 53905 H2 TIP3 15865 -13.462 -33.887 38.609 1.00 0.00 WAT +ATOM 53906 OH2 TIP3 15866 -13.902 -34.253 42.490 1.00 0.00 WAT +ATOM 53907 H1 TIP3 15866 -13.875 -35.049 43.049 1.00 0.00 WAT +ATOM 53908 H2 TIP3 15866 -13.960 -34.635 41.602 1.00 0.00 WAT +ATOM 53909 OH2 TIP3 15867 -9.611 -31.641 40.248 1.00 0.00 WAT +ATOM 53910 H1 TIP3 15867 -10.125 -32.326 40.692 1.00 0.00 WAT +ATOM 53911 H2 TIP3 15867 -9.474 -31.036 41.008 1.00 0.00 WAT +ATOM 53912 OH2 TIP3 15868 -20.761 -30.136 42.608 1.00 0.00 WAT +ATOM 53913 H1 TIP3 15868 -20.981 -31.035 42.313 1.00 0.00 WAT +ATOM 53914 H2 TIP3 15868 -19.791 -30.178 42.537 1.00 0.00 WAT +ATOM 53915 OH2 TIP3 15869 -23.783 -36.628 37.782 1.00 0.00 WAT +ATOM 53916 H1 TIP3 15869 -24.141 -35.732 37.889 1.00 0.00 WAT +ATOM 53917 H2 TIP3 15869 -24.519 -37.085 37.359 1.00 0.00 WAT +ATOM 53918 OH2 TIP3 15870 -23.033 -34.245 39.694 1.00 0.00 WAT +ATOM 53919 H1 TIP3 15870 -22.799 -34.972 40.300 1.00 0.00 WAT +ATOM 53920 H2 TIP3 15870 -22.174 -34.047 39.300 1.00 0.00 WAT +ATOM 53921 OH2 TIP3 15871 -13.180 -26.075 41.127 1.00 0.00 WAT +ATOM 53922 H1 TIP3 15871 -12.584 -26.792 40.845 1.00 0.00 WAT +ATOM 53923 H2 TIP3 15871 -13.533 -26.402 41.969 1.00 0.00 WAT +ATOM 53924 OH2 TIP3 15872 -15.954 -32.256 43.260 1.00 0.00 WAT +ATOM 53925 H1 TIP3 15872 -15.374 -32.621 42.572 1.00 0.00 WAT +ATOM 53926 H2 TIP3 15872 -16.159 -33.041 43.772 1.00 0.00 WAT +ATOM 53927 OH2 TIP3 15873 -12.336 -37.281 43.167 1.00 0.00 WAT +ATOM 53928 H1 TIP3 15873 -11.895 -38.115 43.402 1.00 0.00 WAT +ATOM 53929 H2 TIP3 15873 -12.215 -37.247 42.199 1.00 0.00 WAT +ATOM 53930 OH2 TIP3 15874 -19.281 -39.414 40.423 1.00 0.00 WAT +ATOM 53931 H1 TIP3 15874 -19.039 -38.566 40.002 1.00 0.00 WAT +ATOM 53932 H2 TIP3 15874 -19.590 -39.902 39.632 1.00 0.00 WAT +ATOM 53933 OH2 TIP3 15875 -22.251 -36.747 41.005 1.00 0.00 WAT +ATOM 53934 H1 TIP3 15875 -21.779 -37.380 41.550 1.00 0.00 WAT +ATOM 53935 H2 TIP3 15875 -22.211 -37.178 40.133 1.00 0.00 WAT +ATOM 53936 OH2 TIP3 15876 -17.148 -35.311 40.573 1.00 0.00 WAT +ATOM 53937 H1 TIP3 15876 -16.374 -35.856 40.804 1.00 0.00 WAT +ATOM 53938 H2 TIP3 15876 -17.593 -35.887 39.924 1.00 0.00 WAT +ATOM 53939 OH2 TIP3 15877 -12.804 -30.798 37.930 1.00 0.00 WAT +ATOM 53940 H1 TIP3 15877 -13.182 -31.071 37.090 1.00 0.00 WAT +ATOM 53941 H2 TIP3 15877 -13.280 -29.967 38.114 1.00 0.00 WAT +ATOM 53942 OH2 TIP3 15878 -9.258 -40.152 40.607 1.00 0.00 WAT +ATOM 53943 H1 TIP3 15878 -9.931 -40.634 41.110 1.00 0.00 WAT +ATOM 53944 H2 TIP3 15878 -9.030 -39.450 41.236 1.00 0.00 WAT +ATOM 53945 OH2 TIP3 15879 -20.019 -38.494 42.977 1.00 0.00 WAT +ATOM 53946 H1 TIP3 15879 -20.094 -37.549 42.799 1.00 0.00 WAT +ATOM 53947 H2 TIP3 15879 -20.009 -38.894 42.086 1.00 0.00 WAT +ATOM 53948 OH2 TIP3 15880 -23.126 -31.118 36.270 1.00 0.00 WAT +ATOM 53949 H1 TIP3 15880 -23.279 -30.602 35.460 1.00 0.00 WAT +ATOM 53950 H2 TIP3 15880 -22.944 -30.420 36.940 1.00 0.00 WAT +ATOM 53951 OH2 TIP3 15881 -9.383 -30.374 42.621 1.00 0.00 WAT +ATOM 53952 H1 TIP3 15881 -10.150 -30.514 43.213 1.00 0.00 WAT +ATOM 53953 H2 TIP3 15881 -8.914 -29.667 43.072 1.00 0.00 WAT +ATOM 53954 OH2 TIP3 15882 -16.393 -43.174 41.533 1.00 0.00 WAT +ATOM 53955 H1 TIP3 15882 -15.995 -43.975 41.901 1.00 0.00 WAT +ATOM 53956 H2 TIP3 15882 -16.875 -42.797 42.281 1.00 0.00 WAT +ATOM 53957 OH2 TIP3 15883 -11.304 -27.751 39.694 1.00 0.00 WAT +ATOM 53958 H1 TIP3 15883 -10.850 -28.523 39.303 1.00 0.00 WAT +ATOM 53959 H2 TIP3 15883 -10.696 -27.027 39.450 1.00 0.00 WAT +ATOM 53960 OH2 TIP3 15884 -9.884 -29.838 38.168 1.00 0.00 WAT +ATOM 53961 H1 TIP3 15884 -10.470 -30.316 37.564 1.00 0.00 WAT +ATOM 53962 H2 TIP3 15884 -9.783 -30.496 38.887 1.00 0.00 WAT +ATOM 53963 OH2 TIP3 15885 -14.120 -34.111 36.414 1.00 0.00 WAT +ATOM 53964 H1 TIP3 15885 -14.763 -33.519 35.982 1.00 0.00 WAT +ATOM 53965 H2 TIP3 15885 -13.384 -34.116 35.779 1.00 0.00 WAT +ATOM 53966 OH2 TIP3 15886 -13.828 -35.889 33.405 1.00 0.00 WAT +ATOM 53967 H1 TIP3 15886 -13.181 -35.644 34.093 1.00 0.00 WAT +ATOM 53968 H2 TIP3 15886 -13.338 -36.590 32.951 1.00 0.00 WAT +ATOM 53969 OH2 TIP3 15887 -10.584 -34.104 37.504 1.00 0.00 WAT +ATOM 53970 H1 TIP3 15887 -11.294 -33.951 38.163 1.00 0.00 WAT +ATOM 53971 H2 TIP3 15887 -10.048 -34.768 37.969 1.00 0.00 WAT +ATOM 53972 OH2 TIP3 15888 -19.005 -33.353 39.255 1.00 0.00 WAT +ATOM 53973 H1 TIP3 15888 -19.326 -33.808 38.454 1.00 0.00 WAT +ATOM 53974 H2 TIP3 15888 -18.393 -34.001 39.636 1.00 0.00 WAT +ATOM 53975 OH2 TIP3 15889 -17.841 -30.737 41.663 1.00 0.00 WAT +ATOM 53976 H1 TIP3 15889 -17.726 -30.583 40.717 1.00 0.00 WAT +ATOM 53977 H2 TIP3 15889 -17.165 -30.152 42.042 1.00 0.00 WAT +ATOM 53978 OH2 TIP3 15890 -18.866 -34.689 42.700 1.00 0.00 WAT +ATOM 53979 H1 TIP3 15890 -18.165 -34.661 42.019 1.00 0.00 WAT +ATOM 53980 H2 TIP3 15890 -18.556 -34.053 43.358 1.00 0.00 WAT +ATOM 53981 OH2 TIP3 15891 -11.673 -34.616 34.934 1.00 0.00 WAT +ATOM 53982 H1 TIP3 15891 -11.184 -34.427 35.760 1.00 0.00 WAT +ATOM 53983 H2 TIP3 15891 -11.144 -34.109 34.273 1.00 0.00 WAT +ATOM 53984 OH2 TIP3 15892 -14.122 -28.082 38.496 1.00 0.00 WAT +ATOM 53985 H1 TIP3 15892 -13.747 -27.771 39.328 1.00 0.00 WAT +ATOM 53986 H2 TIP3 15892 -14.686 -27.341 38.226 1.00 0.00 WAT +ATOM 53987 OH2 TIP3 15893 -8.417 -43.214 34.120 1.00 0.00 WAT +ATOM 53988 H1 TIP3 15893 -9.014 -43.220 34.889 1.00 0.00 WAT +ATOM 53989 H2 TIP3 15893 -7.669 -42.743 34.512 1.00 0.00 WAT +ATOM 53990 OH2 TIP3 15894 -20.066 -34.630 36.809 1.00 0.00 WAT +ATOM 53991 H1 TIP3 15894 -20.265 -33.871 36.235 1.00 0.00 WAT +ATOM 53992 H2 TIP3 15894 -20.724 -35.275 36.521 1.00 0.00 WAT +ATOM 53993 OH2 TIP3 15895 -6.808 -28.827 32.976 1.00 0.00 WAT +ATOM 53994 H1 TIP3 15895 -6.664 -27.889 33.213 1.00 0.00 WAT +ATOM 53995 H2 TIP3 15895 -5.941 -29.220 33.190 1.00 0.00 WAT +ATOM 53996 OH2 TIP3 15896 -14.603 -25.372 36.993 1.00 0.00 WAT +ATOM 53997 H1 TIP3 15896 -14.635 -25.273 36.027 1.00 0.00 WAT +ATOM 53998 H2 TIP3 15896 -14.594 -24.455 37.309 1.00 0.00 WAT +ATOM 53999 OH2 TIP3 15897 -20.667 -26.602 38.117 1.00 0.00 WAT +ATOM 54000 H1 TIP3 15897 -20.638 -26.458 39.089 1.00 0.00 WAT +ATOM 54001 H2 TIP3 15897 -21.619 -26.582 37.974 1.00 0.00 WAT +ATOM 54002 OH2 TIP3 15898 -11.339 -25.959 34.177 1.00 0.00 WAT +ATOM 54003 H1 TIP3 15898 -10.759 -26.614 33.740 1.00 0.00 WAT +ATOM 54004 H2 TIP3 15898 -11.396 -26.327 35.083 1.00 0.00 WAT +ATOM 54005 OH2 TIP3 15899 -11.951 -26.533 36.978 1.00 0.00 WAT +ATOM 54006 H1 TIP3 15899 -12.904 -26.385 37.122 1.00 0.00 WAT +ATOM 54007 H2 TIP3 15899 -11.806 -27.274 37.588 1.00 0.00 WAT +ATOM 54008 OH2 TIP3 15900 -18.891 -42.094 43.061 1.00 0.00 WAT +ATOM 54009 H1 TIP3 15900 -19.481 -42.205 42.309 1.00 0.00 WAT +ATOM 54010 H2 TIP3 15900 -18.643 -41.154 43.035 1.00 0.00 WAT +ATOM 54011 OH2 TIP3 15901 -10.080 -33.620 32.911 1.00 0.00 WAT +ATOM 54012 H1 TIP3 15901 -10.266 -33.836 31.979 1.00 0.00 WAT +ATOM 54013 H2 TIP3 15901 -9.141 -33.376 32.870 1.00 0.00 WAT +ATOM 54014 OH2 TIP3 15902 -14.516 -39.935 33.397 1.00 0.00 WAT +ATOM 54015 H1 TIP3 15902 -15.032 -39.996 34.217 1.00 0.00 WAT +ATOM 54016 H2 TIP3 15902 -14.999 -40.573 32.830 1.00 0.00 WAT +ATOM 54017 OH2 TIP3 15903 -18.807 -37.054 38.866 1.00 0.00 WAT +ATOM 54018 H1 TIP3 15903 -19.756 -37.134 38.667 1.00 0.00 WAT +ATOM 54019 H2 TIP3 15903 -18.428 -37.250 37.987 1.00 0.00 WAT +ATOM 54020 OH2 TIP3 15904 -13.008 -36.341 37.756 1.00 0.00 WAT +ATOM 54021 H1 TIP3 15904 -13.597 -35.735 37.269 1.00 0.00 WAT +ATOM 54022 H2 TIP3 15904 -12.521 -36.780 37.040 1.00 0.00 WAT +ATOM 54023 OH2 TIP3 15905 -12.284 -37.288 40.318 1.00 0.00 WAT +ATOM 54024 H1 TIP3 15905 -12.570 -36.771 39.531 1.00 0.00 WAT +ATOM 54025 H2 TIP3 15905 -12.204 -38.162 39.875 1.00 0.00 WAT +ATOM 54026 OH2 TIP3 15906 -18.052 -39.426 32.350 1.00 0.00 WAT +ATOM 54027 H1 TIP3 15906 -18.378 -39.778 33.198 1.00 0.00 WAT +ATOM 54028 H2 TIP3 15906 -18.862 -39.311 31.836 1.00 0.00 WAT +ATOM 54029 OH2 TIP3 15907 -24.582 -39.560 39.436 1.00 0.00 WAT +ATOM 54030 H1 TIP3 15907 -24.018 -39.559 40.231 1.00 0.00 WAT +ATOM 54031 H2 TIP3 15907 -24.013 -39.939 38.756 1.00 0.00 WAT +ATOM 54032 OH2 TIP3 15908 -23.007 -39.117 35.129 1.00 0.00 WAT +ATOM 54033 H1 TIP3 15908 -22.455 -38.609 34.501 1.00 0.00 WAT +ATOM 54034 H2 TIP3 15908 -23.709 -38.464 35.316 1.00 0.00 WAT +ATOM 54035 OH2 TIP3 15909 -16.282 -39.500 39.848 1.00 0.00 WAT +ATOM 54036 H1 TIP3 15909 -17.165 -39.621 40.219 1.00 0.00 WAT +ATOM 54037 H2 TIP3 15909 -15.700 -39.755 40.570 1.00 0.00 WAT +ATOM 54038 OH2 TIP3 15910 -21.502 -38.269 38.539 1.00 0.00 WAT +ATOM 54039 H1 TIP3 15910 -22.303 -37.965 38.073 1.00 0.00 WAT +ATOM 54040 H2 TIP3 15910 -21.225 -39.057 38.035 1.00 0.00 WAT +ATOM 54041 OH2 TIP3 15911 -17.996 -37.942 36.171 1.00 0.00 WAT +ATOM 54042 H1 TIP3 15911 -17.029 -37.894 36.326 1.00 0.00 WAT +ATOM 54043 H2 TIP3 15911 -18.152 -37.279 35.478 1.00 0.00 WAT +ATOM 54044 OH2 TIP3 15912 -11.843 -40.719 42.704 1.00 0.00 WAT +ATOM 54045 H1 TIP3 15912 -12.412 -40.463 43.440 1.00 0.00 WAT +ATOM 54046 H2 TIP3 15912 -12.427 -40.799 41.945 1.00 0.00 WAT +ATOM 54047 OH2 TIP3 15913 -19.439 -36.647 33.933 1.00 0.00 WAT +ATOM 54048 H1 TIP3 15913 -19.981 -36.946 33.188 1.00 0.00 WAT +ATOM 54049 H2 TIP3 15913 -18.599 -36.449 33.483 1.00 0.00 WAT +ATOM 54050 OH2 TIP3 15914 -15.100 -37.089 41.839 1.00 0.00 WAT +ATOM 54051 H1 TIP3 15914 -14.421 -37.428 41.232 1.00 0.00 WAT +ATOM 54052 H2 TIP3 15914 -15.025 -37.708 42.577 1.00 0.00 WAT +ATOM 54053 OH2 TIP3 15915 -19.882 -40.660 37.927 1.00 0.00 WAT +ATOM 54054 H1 TIP3 15915 -20.319 -41.525 38.011 1.00 0.00 WAT +ATOM 54055 H2 TIP3 15915 -19.052 -40.882 37.482 1.00 0.00 WAT +ATOM 54056 OH2 TIP3 15916 -15.950 -32.062 35.809 1.00 0.00 WAT +ATOM 54057 H1 TIP3 15916 -16.701 -32.590 35.464 1.00 0.00 WAT +ATOM 54058 H2 TIP3 15916 -16.114 -32.061 36.778 1.00 0.00 WAT +ATOM 54059 OH2 TIP3 15917 -11.777 -39.505 33.671 1.00 0.00 WAT +ATOM 54060 H1 TIP3 15917 -12.751 -39.594 33.761 1.00 0.00 WAT +ATOM 54061 H2 TIP3 15917 -11.570 -38.938 34.445 1.00 0.00 WAT +ATOM 54062 OH2 TIP3 15918 -11.089 -37.449 35.536 1.00 0.00 WAT +ATOM 54063 H1 TIP3 15918 -10.325 -37.631 36.117 1.00 0.00 WAT +ATOM 54064 H2 TIP3 15918 -10.872 -36.592 35.142 1.00 0.00 WAT +ATOM 54065 OH2 TIP3 15919 -20.966 -33.058 41.699 1.00 0.00 WAT +ATOM 54066 H1 TIP3 15919 -20.326 -32.859 40.997 1.00 0.00 WAT +ATOM 54067 H2 TIP3 15919 -20.451 -33.703 42.220 1.00 0.00 WAT +ATOM 54068 OH2 TIP3 15920 -13.529 -30.721 34.718 1.00 0.00 WAT +ATOM 54069 H1 TIP3 15920 -13.784 -29.867 35.123 1.00 0.00 WAT +ATOM 54070 H2 TIP3 15920 -14.263 -31.287 35.015 1.00 0.00 WAT +ATOM 54071 OH2 TIP3 15921 -6.439 -37.492 35.374 1.00 0.00 WAT +ATOM 54072 H1 TIP3 15921 -7.076 -37.674 34.658 1.00 0.00 WAT +ATOM 54073 H2 TIP3 15921 -6.375 -36.521 35.284 1.00 0.00 WAT +ATOM 54074 OH2 TIP3 15922 -8.288 -28.825 35.472 1.00 0.00 WAT +ATOM 54075 H1 TIP3 15922 -8.535 -29.590 36.012 1.00 0.00 WAT +ATOM 54076 H2 TIP3 15922 -7.746 -29.212 34.771 1.00 0.00 WAT +ATOM 54077 OH2 TIP3 15923 -11.066 -33.417 42.536 1.00 0.00 WAT +ATOM 54078 H1 TIP3 15923 -12.016 -33.576 42.650 1.00 0.00 WAT +ATOM 54079 H2 TIP3 15923 -10.792 -34.188 42.002 1.00 0.00 WAT +ATOM 54080 OH2 TIP3 15924 -18.376 -29.488 38.629 1.00 0.00 WAT +ATOM 54081 H1 TIP3 15924 -17.980 -28.625 38.820 1.00 0.00 WAT +ATOM 54082 H2 TIP3 15924 -19.314 -29.270 38.706 1.00 0.00 WAT +ATOM 54083 OH2 TIP3 15925 -22.418 -34.622 33.506 1.00 0.00 WAT +ATOM 54084 H1 TIP3 15925 -21.826 -33.957 33.904 1.00 0.00 WAT +ATOM 54085 H2 TIP3 15925 -23.285 -34.326 33.837 1.00 0.00 WAT +ATOM 54086 OH2 TIP3 15926 -16.579 -31.716 38.581 1.00 0.00 WAT +ATOM 54087 H1 TIP3 15926 -16.937 -30.811 38.575 1.00 0.00 WAT +ATOM 54088 H2 TIP3 15926 -17.325 -32.208 38.956 1.00 0.00 WAT +ATOM 54089 OH2 TIP3 15927 -17.883 -26.484 38.079 1.00 0.00 WAT +ATOM 54090 H1 TIP3 15927 -18.859 -26.487 38.112 1.00 0.00 WAT +ATOM 54091 H2 TIP3 15927 -17.667 -25.585 38.385 1.00 0.00 WAT +ATOM 54092 OH2 TIP3 15928 -10.830 -30.415 33.359 1.00 0.00 WAT +ATOM 54093 H1 TIP3 15928 -10.417 -30.875 34.114 1.00 0.00 WAT +ATOM 54094 H2 TIP3 15928 -11.763 -30.542 33.603 1.00 0.00 WAT +ATOM 54095 OH2 TIP3 15929 -6.089 -26.162 33.891 1.00 0.00 WAT +ATOM 54096 H1 TIP3 15929 -5.398 -25.516 33.669 1.00 0.00 WAT +ATOM 54097 H2 TIP3 15929 -6.859 -25.565 33.903 1.00 0.00 WAT +ATOM 54098 OH2 TIP3 15930 -9.857 -31.812 35.718 1.00 0.00 WAT +ATOM 54099 H1 TIP3 15930 -10.158 -32.511 36.326 1.00 0.00 WAT +ATOM 54100 H2 TIP3 15930 -8.895 -31.827 35.857 1.00 0.00 WAT +ATOM 54101 OH2 TIP3 15931 -16.593 -29.368 31.930 1.00 0.00 WAT +ATOM 54102 H1 TIP3 15931 -16.304 -30.169 31.457 1.00 0.00 WAT +ATOM 54103 H2 TIP3 15931 -17.009 -29.751 32.723 1.00 0.00 WAT +ATOM 54104 OH2 TIP3 15932 -17.741 -29.844 34.625 1.00 0.00 WAT +ATOM 54105 H1 TIP3 15932 -17.263 -30.373 35.281 1.00 0.00 WAT +ATOM 54106 H2 TIP3 15932 -17.621 -28.935 34.974 1.00 0.00 WAT +ATOM 54107 OH2 TIP3 15933 -20.921 -32.406 35.035 1.00 0.00 WAT +ATOM 54108 H1 TIP3 15933 -21.638 -32.020 35.575 1.00 0.00 WAT +ATOM 54109 H2 TIP3 15933 -20.433 -31.606 34.778 1.00 0.00 WAT +ATOM 54110 OH2 TIP3 15934 -14.789 -28.223 35.280 1.00 0.00 WAT +ATOM 54111 H1 TIP3 15934 -15.613 -27.747 35.474 1.00 0.00 WAT +ATOM 54112 H2 TIP3 15934 -14.457 -27.742 34.510 1.00 0.00 WAT +ATOM 54113 OH2 TIP3 15935 -15.398 -38.323 37.280 1.00 0.00 WAT +ATOM 54114 H1 TIP3 15935 -14.427 -38.237 37.316 1.00 0.00 WAT +ATOM 54115 H2 TIP3 15935 -15.534 -38.736 38.156 1.00 0.00 WAT +ATOM 54116 OH2 TIP3 15936 -17.590 -27.149 35.268 1.00 0.00 WAT +ATOM 54117 H1 TIP3 15936 -17.665 -26.315 34.760 1.00 0.00 WAT +ATOM 54118 H2 TIP3 15936 -17.757 -26.845 36.182 1.00 0.00 WAT +ATOM 54119 OH2 TIP3 15937 -18.849 -40.526 34.827 1.00 0.00 WAT +ATOM 54120 H1 TIP3 15937 -18.850 -39.690 35.330 1.00 0.00 WAT +ATOM 54121 H2 TIP3 15937 -17.953 -40.846 35.061 1.00 0.00 WAT +ATOM 54122 OH2 TIP3 15938 -10.099 -35.730 41.368 1.00 0.00 WAT +ATOM 54123 H1 TIP3 15938 -10.855 -36.223 41.001 1.00 0.00 WAT +ATOM 54124 H2 TIP3 15938 -9.539 -36.472 41.699 1.00 0.00 WAT +ATOM 54125 OH2 TIP3 15939 -20.482 -29.595 33.790 1.00 0.00 WAT +ATOM 54126 H1 TIP3 15939 -19.766 -29.096 34.220 1.00 0.00 WAT +ATOM 54127 H2 TIP3 15939 -19.956 -30.102 33.152 1.00 0.00 WAT +ATOM 54128 OH2 TIP3 15940 -22.333 -37.454 32.914 1.00 0.00 WAT +ATOM 54129 H1 TIP3 15940 -22.188 -36.516 33.146 1.00 0.00 WAT +ATOM 54130 H2 TIP3 15940 -23.210 -37.423 32.509 1.00 0.00 WAT +ATOM 54131 OH2 TIP3 15941 -8.001 -24.756 43.583 1.00 0.00 WAT +ATOM 54132 H1 TIP3 15941 -8.611 -24.394 42.905 1.00 0.00 WAT +ATOM 54133 H2 TIP3 15941 -7.706 -25.551 43.115 1.00 0.00 WAT +ATOM 54134 OH2 TIP3 15942 -22.178 -42.438 41.791 1.00 0.00 WAT +ATOM 54135 H1 TIP3 15942 -21.876 -42.415 40.874 1.00 0.00 WAT +ATOM 54136 H2 TIP3 15942 -21.845 -43.322 42.045 1.00 0.00 WAT +ATOM 54137 OH2 TIP3 15943 -22.654 -28.972 37.990 1.00 0.00 WAT +ATOM 54138 H1 TIP3 15943 -23.341 -28.312 38.136 1.00 0.00 WAT +ATOM 54139 H2 TIP3 15943 -21.989 -28.453 37.514 1.00 0.00 WAT +ATOM 54140 OH2 TIP3 15944 -14.372 -27.662 32.434 1.00 0.00 WAT +ATOM 54141 H1 TIP3 15944 -15.134 -28.274 32.346 1.00 0.00 WAT +ATOM 54142 H2 TIP3 15944 -13.666 -28.218 32.068 1.00 0.00 WAT +ATOM 54143 OH2 TIP3 15945 -9.745 -27.753 32.547 1.00 0.00 WAT +ATOM 54144 H1 TIP3 15945 -9.590 -28.563 33.061 1.00 0.00 WAT +ATOM 54145 H2 TIP3 15945 -8.952 -27.713 31.984 1.00 0.00 WAT +ATOM 54146 OH2 TIP3 15946 -18.947 -31.942 32.268 1.00 0.00 WAT +ATOM 54147 H1 TIP3 15946 -18.782 -32.519 33.032 1.00 0.00 WAT +ATOM 54148 H2 TIP3 15946 -18.077 -31.970 31.827 1.00 0.00 WAT +ATOM 54149 OH2 TIP3 15947 -13.702 -30.603 31.884 1.00 0.00 WAT +ATOM 54150 H1 TIP3 15947 -13.754 -30.643 32.856 1.00 0.00 WAT +ATOM 54151 H2 TIP3 15947 -13.766 -31.557 31.670 1.00 0.00 WAT +ATOM 54152 OH2 TIP3 15948 -17.861 -33.843 34.605 1.00 0.00 WAT +ATOM 54153 H1 TIP3 15948 -18.458 -34.355 35.169 1.00 0.00 WAT +ATOM 54154 H2 TIP3 15948 -17.554 -34.529 33.977 1.00 0.00 WAT +ATOM 54155 OH2 TIP3 15949 -16.912 -35.836 32.870 1.00 0.00 WAT +ATOM 54156 H1 TIP3 15949 -16.940 -35.747 31.900 1.00 0.00 WAT +ATOM 54157 H2 TIP3 15949 -15.950 -35.869 33.033 1.00 0.00 WAT +ATOM 54158 OH2 TIP3 15950 -7.373 -33.392 32.102 1.00 0.00 WAT +ATOM 54159 H1 TIP3 15950 -7.685 -33.664 31.225 1.00 0.00 WAT +ATOM 54160 H2 TIP3 15950 -7.426 -32.418 31.999 1.00 0.00 WAT +ATOM 54161 OH2 TIP3 15951 -17.147 -24.581 33.963 1.00 0.00 WAT +ATOM 54162 H1 TIP3 15951 -16.191 -24.490 34.085 1.00 0.00 WAT +ATOM 54163 H2 TIP3 15951 -17.261 -24.153 33.105 1.00 0.00 WAT +ATOM 54164 OH2 TIP3 15952 -23.230 -30.203 33.499 1.00 0.00 WAT +ATOM 54165 H1 TIP3 15952 -22.279 -30.005 33.644 1.00 0.00 WAT +ATOM 54166 H2 TIP3 15952 -23.188 -30.993 32.924 1.00 0.00 WAT +ATOM 54167 OH2 TIP3 15953 -24.163 -24.939 38.211 1.00 0.00 WAT +ATOM 54168 H1 TIP3 15953 -24.825 -25.358 37.615 1.00 0.00 WAT +ATOM 54169 H2 TIP3 15953 -24.134 -25.601 38.936 1.00 0.00 WAT +ATOM 54170 OH2 TIP3 15954 -24.052 -26.861 40.149 1.00 0.00 WAT +ATOM 54171 H1 TIP3 15954 -24.043 -27.773 40.456 1.00 0.00 WAT +ATOM 54172 H2 TIP3 15954 -23.373 -26.465 40.728 1.00 0.00 WAT +ATOM 54173 OH2 TIP3 15955 -6.042 -26.398 42.816 1.00 0.00 WAT +ATOM 54174 H1 TIP3 15955 -6.166 -26.161 43.759 1.00 0.00 WAT +ATOM 54175 H2 TIP3 15955 -5.371 -25.746 42.579 1.00 0.00 WAT +ATOM 54176 OH2 TIP3 15956 -6.986 -31.982 36.129 1.00 0.00 WAT +ATOM 54177 H1 TIP3 15956 -6.087 -31.641 36.303 1.00 0.00 WAT +ATOM 54178 H2 TIP3 15956 -7.102 -32.578 36.884 1.00 0.00 WAT +ATOM 54179 OH2 TIP3 15957 -6.360 -34.075 38.254 1.00 0.00 WAT +ATOM 54180 H1 TIP3 15957 -7.170 -34.551 38.539 1.00 0.00 WAT +ATOM 54181 H2 TIP3 15957 -5.918 -33.892 39.091 1.00 0.00 WAT +ATOM 54182 OH2 TIP3 15958 -6.431 -31.779 43.241 1.00 0.00 WAT +ATOM 54183 H1 TIP3 15958 -6.223 -32.053 42.348 1.00 0.00 WAT +ATOM 54184 H2 TIP3 15958 -6.952 -30.979 43.085 1.00 0.00 WAT +ATOM 54185 OH2 TIP3 15959 -6.272 -34.528 34.689 1.00 0.00 WAT +ATOM 54186 H1 TIP3 15959 -6.790 -34.273 33.904 1.00 0.00 WAT +ATOM 54187 H2 TIP3 15959 -6.420 -33.762 35.266 1.00 0.00 WAT +ATOM 54188 OH2 TIP3 15960 -8.017 -36.976 32.924 1.00 0.00 WAT +ATOM 54189 H1 TIP3 15960 -7.726 -36.397 32.207 1.00 0.00 WAT +ATOM 54190 H2 TIP3 15960 -8.264 -37.793 32.463 1.00 0.00 WAT +ATOM 54191 OH2 TIP3 15961 -8.523 -35.832 38.942 1.00 0.00 WAT +ATOM 54192 H1 TIP3 15961 -8.672 -36.760 38.672 1.00 0.00 WAT +ATOM 54193 H2 TIP3 15961 -8.998 -35.785 39.791 1.00 0.00 WAT +ATOM 54194 OH2 TIP3 15962 -23.744 -34.098 42.595 1.00 0.00 WAT +ATOM 54195 H1 TIP3 15962 -23.376 -33.727 41.776 1.00 0.00 WAT +ATOM 54196 H2 TIP3 15962 -22.967 -34.073 43.182 1.00 0.00 WAT +ATOM 54197 OH2 TIP3 15963 -8.530 -39.770 31.999 1.00 0.00 WAT +ATOM 54198 H1 TIP3 15963 -7.991 -40.128 32.732 1.00 0.00 WAT +ATOM 54199 H2 TIP3 15963 -9.390 -40.186 32.163 1.00 0.00 WAT +ATOM 54200 OH2 TIP3 15964 -8.715 -38.196 37.120 1.00 0.00 WAT +ATOM 54201 H1 TIP3 15964 -8.720 -39.163 37.273 1.00 0.00 WAT +ATOM 54202 H2 TIP3 15964 -7.861 -38.076 36.681 1.00 0.00 WAT +ATOM 54203 OH2 TIP3 15965 -8.564 -37.724 42.199 1.00 0.00 WAT +ATOM 54204 H1 TIP3 15965 -7.606 -37.788 42.339 1.00 0.00 WAT +ATOM 54205 H2 TIP3 15965 -8.927 -37.921 43.078 1.00 0.00 WAT +ATOM 54206 OH2 TIP3 15966 -8.362 -41.037 37.151 1.00 0.00 WAT +ATOM 54207 H1 TIP3 15966 -8.510 -41.311 38.065 1.00 0.00 WAT +ATOM 54208 H2 TIP3 15966 -9.113 -41.478 36.711 1.00 0.00 WAT +ATOM 54209 OH2 TIP3 15967 -23.013 -39.831 41.895 1.00 0.00 WAT +ATOM 54210 H1 TIP3 15967 -22.856 -40.798 41.982 1.00 0.00 WAT +ATOM 54211 H2 TIP3 15967 -22.382 -39.494 42.540 1.00 0.00 WAT +ATOM 54212 OH2 TIP3 15968 -24.629 -36.975 43.017 1.00 0.00 WAT +ATOM 54213 H1 TIP3 15968 -24.177 -37.351 42.243 1.00 0.00 WAT +ATOM 54214 H2 TIP3 15968 -24.339 -36.042 42.959 1.00 0.00 WAT +ATOM 54215 OH2 TIP3 15969 -6.340 -40.516 33.664 1.00 0.00 WAT +ATOM 54216 H1 TIP3 15969 -6.184 -41.433 33.401 1.00 0.00 WAT +ATOM 54217 H2 TIP3 15969 -5.456 -40.169 33.863 1.00 0.00 WAT +ATOM 54218 OH2 TIP3 15970 -24.012 -41.054 36.886 1.00 0.00 WAT +ATOM 54219 H1 TIP3 15970 -24.963 -40.930 36.724 1.00 0.00 WAT +ATOM 54220 H2 TIP3 15970 -23.610 -40.347 36.339 1.00 0.00 WAT +ATOM 54221 OH2 TIP3 15971 -9.470 -25.676 38.914 1.00 0.00 WAT +ATOM 54222 H1 TIP3 15971 -8.878 -25.932 38.187 1.00 0.00 WAT +ATOM 54223 H2 TIP3 15971 -8.861 -25.311 39.574 1.00 0.00 WAT +ATOM 54224 OH2 TIP3 15972 -22.664 -26.729 43.476 1.00 0.00 WAT +ATOM 54225 H1 TIP3 15972 -22.209 -27.497 43.828 1.00 0.00 WAT +ATOM 54226 H2 TIP3 15972 -22.100 -26.503 42.701 1.00 0.00 WAT +ATOM 54227 OH2 TIP3 15973 -19.242 -28.216 41.224 1.00 0.00 WAT +ATOM 54228 H1 TIP3 15973 -20.089 -28.663 41.385 1.00 0.00 WAT +ATOM 54229 H2 TIP3 15973 -19.550 -27.289 41.229 1.00 0.00 WAT +ATOM 54230 OH2 TIP3 15974 -17.039 -26.881 42.214 1.00 0.00 WAT +ATOM 54231 H1 TIP3 15974 -17.469 -27.594 41.706 1.00 0.00 WAT +ATOM 54232 H2 TIP3 15974 -17.415 -27.045 43.084 1.00 0.00 WAT +ATOM 54233 OH2 TIP3 15975 -8.812 -43.438 41.603 1.00 0.00 WAT +ATOM 54234 H1 TIP3 15975 -8.372 -42.739 41.115 1.00 0.00 WAT +ATOM 54235 H2 TIP3 15975 -9.756 -43.209 41.534 1.00 0.00 WAT +ATOM 54236 OH2 TIP3 15976 -6.595 -42.228 39.661 1.00 0.00 WAT +ATOM 54237 H1 TIP3 15976 -6.481 -42.404 38.727 1.00 0.00 WAT +ATOM 54238 H2 TIP3 15976 -6.884 -41.306 39.695 1.00 0.00 WAT +ATOM 54239 OH2 TIP3 15977 -21.790 -42.845 38.640 1.00 0.00 WAT +ATOM 54240 H1 TIP3 15977 -22.703 -43.086 38.449 1.00 0.00 WAT +ATOM 54241 H2 TIP3 15977 -21.412 -43.674 38.956 1.00 0.00 WAT +ATOM 54242 OH2 TIP3 15978 -23.203 -42.905 34.871 1.00 0.00 WAT +ATOM 54243 H1 TIP3 15978 -22.733 -42.419 34.168 1.00 0.00 WAT +ATOM 54244 H2 TIP3 15978 -23.564 -42.175 35.404 1.00 0.00 WAT +ATOM 54245 OH2 TIP3 15979 -17.033 -42.622 38.676 1.00 0.00 WAT +ATOM 54246 H1 TIP3 15979 -16.248 -42.091 38.859 1.00 0.00 WAT +ATOM 54247 H2 TIP3 15979 -17.261 -42.900 39.577 1.00 0.00 WAT +ATOM 54248 OH2 TIP3 15980 -11.474 -42.879 40.409 1.00 0.00 WAT +ATOM 54249 H1 TIP3 15980 -11.930 -42.492 39.649 1.00 0.00 WAT +ATOM 54250 H2 TIP3 15980 -11.940 -43.697 40.611 1.00 0.00 WAT +ATOM 54251 OH2 TIP3 15981 -10.642 -42.686 35.994 1.00 0.00 WAT +ATOM 54252 H1 TIP3 15981 -11.378 -42.063 36.105 1.00 0.00 WAT +ATOM 54253 H2 TIP3 15981 -11.006 -43.503 36.364 1.00 0.00 WAT +ATOM 54254 OH2 TIP3 15982 -22.812 -26.971 35.884 1.00 0.00 WAT +ATOM 54255 H1 TIP3 15982 -23.476 -27.044 35.183 1.00 0.00 WAT +ATOM 54256 H2 TIP3 15982 -22.786 -26.017 36.015 1.00 0.00 WAT +ATOM 54257 OH2 TIP3 15983 -21.268 -41.262 33.326 1.00 0.00 WAT +ATOM 54258 H1 TIP3 15983 -20.562 -41.607 32.751 1.00 0.00 WAT +ATOM 54259 H2 TIP3 15983 -20.744 -40.736 33.958 1.00 0.00 WAT +ATOM 54260 OH2 TIP3 15984 -16.120 -40.620 35.799 1.00 0.00 WAT +ATOM 54261 H1 TIP3 15984 -15.679 -41.344 36.269 1.00 0.00 WAT +ATOM 54262 H2 TIP3 15984 -15.853 -39.851 36.345 1.00 0.00 WAT +ATOM 54263 OH2 TIP3 15985 -14.095 -25.116 34.034 1.00 0.00 WAT +ATOM 54264 H1 TIP3 15985 -13.120 -25.122 34.006 1.00 0.00 WAT +ATOM 54265 H2 TIP3 15985 -14.291 -25.794 33.367 1.00 0.00 WAT +ATOM 54266 OH2 TIP3 15986 -7.574 -26.112 36.639 1.00 0.00 WAT +ATOM 54267 H1 TIP3 15986 -7.822 -26.949 36.195 1.00 0.00 WAT +ATOM 54268 H2 TIP3 15986 -7.626 -25.486 35.897 1.00 0.00 WAT +ATOM 54269 OH2 TIP3 15987 -21.323 -26.004 32.730 1.00 0.00 WAT +ATOM 54270 H1 TIP3 15987 -21.570 -25.772 33.636 1.00 0.00 WAT +ATOM 54271 H2 TIP3 15987 -20.558 -26.588 32.870 1.00 0.00 WAT +ATOM 54272 OH2 TIP3 15988 6.031 -33.700 39.228 1.00 0.00 WAT +ATOM 54273 H1 TIP3 15988 6.106 -32.733 39.302 1.00 0.00 WAT +ATOM 54274 H2 TIP3 15988 5.343 -33.781 38.551 1.00 0.00 WAT +ATOM 54275 OH2 TIP3 15989 4.977 -34.289 42.472 1.00 0.00 WAT +ATOM 54276 H1 TIP3 15989 4.938 -35.043 43.085 1.00 0.00 WAT +ATOM 54277 H2 TIP3 15989 4.890 -34.715 41.609 1.00 0.00 WAT +ATOM 54278 OH2 TIP3 15990 8.499 -31.519 40.352 1.00 0.00 WAT +ATOM 54279 H1 TIP3 15990 8.139 -32.219 40.919 1.00 0.00 WAT +ATOM 54280 H2 TIP3 15990 8.937 -31.012 41.064 1.00 0.00 WAT +ATOM 54281 OH2 TIP3 15991 -4.910 -36.496 37.812 1.00 0.00 WAT +ATOM 54282 H1 TIP3 15991 -5.418 -35.666 37.821 1.00 0.00 WAT +ATOM 54283 H2 TIP3 15991 -5.587 -37.130 37.543 1.00 0.00 WAT +ATOM 54284 OH2 TIP3 15992 -3.858 -33.940 40.481 1.00 0.00 WAT +ATOM 54285 H1 TIP3 15992 -3.941 -34.911 40.566 1.00 0.00 WAT +ATOM 54286 H2 TIP3 15992 -3.498 -33.871 39.583 1.00 0.00 WAT +ATOM 54287 OH2 TIP3 15993 5.583 -26.148 41.104 1.00 0.00 WAT +ATOM 54288 H1 TIP3 15993 6.264 -26.783 40.823 1.00 0.00 WAT +ATOM 54289 H2 TIP3 15993 5.384 -26.430 42.008 1.00 0.00 WAT +ATOM 54290 OH2 TIP3 15994 3.053 -31.990 42.784 1.00 0.00 WAT +ATOM 54291 H1 TIP3 15994 3.464 -32.671 42.229 1.00 0.00 WAT +ATOM 54292 H2 TIP3 15994 3.870 -31.630 43.188 1.00 0.00 WAT +ATOM 54293 OH2 TIP3 15995 6.539 -37.217 43.207 1.00 0.00 WAT +ATOM 54294 H1 TIP3 15995 6.922 -38.076 43.455 1.00 0.00 WAT +ATOM 54295 H2 TIP3 15995 6.598 -37.220 42.234 1.00 0.00 WAT +ATOM 54296 OH2 TIP3 15996 -0.404 -39.404 40.415 1.00 0.00 WAT +ATOM 54297 H1 TIP3 15996 -0.178 -38.564 39.973 1.00 0.00 WAT +ATOM 54298 H2 TIP3 15996 -0.698 -39.925 39.642 1.00 0.00 WAT +ATOM 54299 OH2 TIP3 15997 7.587 -39.182 38.736 1.00 0.00 WAT +ATOM 54300 H1 TIP3 15997 8.161 -39.641 39.385 1.00 0.00 WAT +ATOM 54301 H2 TIP3 15997 8.249 -38.767 38.164 1.00 0.00 WAT +ATOM 54302 OH2 TIP3 15998 -3.421 -36.739 40.999 1.00 0.00 WAT +ATOM 54303 H1 TIP3 15998 -2.988 -37.395 41.553 1.00 0.00 WAT +ATOM 54304 H2 TIP3 15998 -3.413 -37.198 40.138 1.00 0.00 WAT +ATOM 54305 OH2 TIP3 15999 1.656 -35.302 40.590 1.00 0.00 WAT +ATOM 54306 H1 TIP3 15999 2.428 -35.846 40.828 1.00 0.00 WAT +ATOM 54307 H2 TIP3 15999 1.245 -35.853 39.897 1.00 0.00 WAT +ATOM 54308 OH2 TIP3 16000 5.987 -30.843 37.927 1.00 0.00 WAT +ATOM 54309 H1 TIP3 16000 5.713 -31.010 37.021 1.00 0.00 WAT +ATOM 54310 H2 TIP3 16000 5.575 -29.981 38.116 1.00 0.00 WAT +ATOM 54311 OH2 TIP3 16001 9.455 -40.137 40.713 1.00 0.00 WAT +ATOM 54312 H1 TIP3 16001 9.059 -40.659 41.430 1.00 0.00 WAT +ATOM 54313 H2 TIP3 16001 9.937 -39.487 41.256 1.00 0.00 WAT +ATOM 54314 OH2 TIP3 16002 -1.108 -38.503 42.966 1.00 0.00 WAT +ATOM 54315 H1 TIP3 16002 -1.277 -37.571 42.789 1.00 0.00 WAT +ATOM 54316 H2 TIP3 16002 -1.126 -38.910 42.077 1.00 0.00 WAT +ATOM 54317 OH2 TIP3 16003 -4.259 -31.118 36.285 1.00 0.00 WAT +ATOM 54318 H1 TIP3 16003 -4.432 -30.648 35.449 1.00 0.00 WAT +ATOM 54319 H2 TIP3 16003 -4.081 -30.391 36.918 1.00 0.00 WAT +ATOM 54320 OH2 TIP3 16004 9.459 -30.907 42.769 1.00 0.00 WAT +ATOM 54321 H1 TIP3 16004 8.699 -30.739 43.358 1.00 0.00 WAT +ATOM 54322 H2 TIP3 16004 9.949 -30.086 42.854 1.00 0.00 WAT +ATOM 54323 OH2 TIP3 16005 2.494 43.780 41.650 1.00 0.00 WAT +ATOM 54324 H1 TIP3 16005 2.669 42.877 41.951 1.00 0.00 WAT +ATOM 54325 H2 TIP3 16005 1.838 44.102 42.292 1.00 0.00 WAT +ATOM 54326 OH2 TIP3 16006 7.461 -27.711 39.520 1.00 0.00 WAT +ATOM 54327 H1 TIP3 16006 7.980 -28.511 39.313 1.00 0.00 WAT +ATOM 54328 H2 TIP3 16006 8.158 -27.025 39.485 1.00 0.00 WAT +ATOM 54329 OH2 TIP3 16007 9.007 -29.909 38.189 1.00 0.00 WAT +ATOM 54330 H1 TIP3 16007 8.427 -30.334 37.544 1.00 0.00 WAT +ATOM 54331 H2 TIP3 16007 8.889 -30.508 38.956 1.00 0.00 WAT +ATOM 54332 OH2 TIP3 16008 4.755 -34.153 36.418 1.00 0.00 WAT +ATOM 54333 H1 TIP3 16008 4.101 -33.539 36.034 1.00 0.00 WAT +ATOM 54334 H2 TIP3 16008 5.478 -34.099 35.771 1.00 0.00 WAT +ATOM 54335 OH2 TIP3 16009 5.043 -35.953 33.456 1.00 0.00 WAT +ATOM 54336 H1 TIP3 16009 5.727 -35.647 34.079 1.00 0.00 WAT +ATOM 54337 H2 TIP3 16009 5.569 -36.530 32.884 1.00 0.00 WAT +ATOM 54338 OH2 TIP3 16010 8.250 -34.155 37.502 1.00 0.00 WAT +ATOM 54339 H1 TIP3 16010 7.598 -33.917 38.194 1.00 0.00 WAT +ATOM 54340 H2 TIP3 16010 8.874 -34.701 38.014 1.00 0.00 WAT +ATOM 54341 OH2 TIP3 16011 -0.322 -33.266 39.438 1.00 0.00 WAT +ATOM 54342 H1 TIP3 16011 -0.609 -33.718 38.626 1.00 0.00 WAT +ATOM 54343 H2 TIP3 16011 0.268 -33.914 39.847 1.00 0.00 WAT +ATOM 54344 OH2 TIP3 16012 0.669 -30.298 41.651 1.00 0.00 WAT +ATOM 54345 H1 TIP3 16012 0.977 -30.494 40.755 1.00 0.00 WAT +ATOM 54346 H2 TIP3 16012 1.497 -30.196 42.144 1.00 0.00 WAT +ATOM 54347 OH2 TIP3 16013 -0.010 -34.426 42.692 1.00 0.00 WAT +ATOM 54348 H1 TIP3 16013 0.627 -34.628 41.978 1.00 0.00 WAT +ATOM 54349 H2 TIP3 16013 0.591 -34.353 43.447 1.00 0.00 WAT +ATOM 54350 OH2 TIP3 16014 7.230 -34.716 34.951 1.00 0.00 WAT +ATOM 54351 H1 TIP3 16014 7.695 -34.427 35.765 1.00 0.00 WAT +ATOM 54352 H2 TIP3 16014 7.725 -34.200 34.266 1.00 0.00 WAT +ATOM 54353 OH2 TIP3 16015 4.619 -28.114 38.557 1.00 0.00 WAT +ATOM 54354 H1 TIP3 16015 5.200 -27.784 39.255 1.00 0.00 WAT +ATOM 54355 H2 TIP3 16015 4.195 -27.304 38.234 1.00 0.00 WAT +ATOM 54356 OH2 TIP3 16016 10.418 -43.218 34.155 1.00 0.00 WAT +ATOM 54357 H1 TIP3 16016 9.956 -43.233 35.008 1.00 0.00 WAT +ATOM 54358 H2 TIP3 16016 11.199 -42.700 34.398 1.00 0.00 WAT +ATOM 54359 OH2 TIP3 16017 -1.189 -34.586 36.832 1.00 0.00 WAT +ATOM 54360 H1 TIP3 16017 -1.397 -33.843 36.238 1.00 0.00 WAT +ATOM 54361 H2 TIP3 16017 -1.829 -35.253 36.554 1.00 0.00 WAT +ATOM 54362 OH2 TIP3 16018 12.049 -28.823 32.976 1.00 0.00 WAT +ATOM 54363 H1 TIP3 16018 12.197 -27.886 33.213 1.00 0.00 WAT +ATOM 54364 H2 TIP3 16018 12.916 -29.219 33.187 1.00 0.00 WAT +ATOM 54365 OH2 TIP3 16019 -4.902 -29.208 42.600 1.00 0.00 WAT +ATOM 54366 H1 TIP3 16019 -4.036 -28.815 42.438 1.00 0.00 WAT +ATOM 54367 H2 TIP3 16019 -5.423 -28.405 42.775 1.00 0.00 WAT +ATOM 54368 OH2 TIP3 16020 4.231 -25.390 36.987 1.00 0.00 WAT +ATOM 54369 H1 TIP3 16020 4.239 -25.262 36.022 1.00 0.00 WAT +ATOM 54370 H2 TIP3 16020 4.241 -24.479 37.323 1.00 0.00 WAT +ATOM 54371 OH2 TIP3 16021 -1.972 -26.254 38.647 1.00 0.00 WAT +ATOM 54372 H1 TIP3 16021 -1.825 -26.741 39.479 1.00 0.00 WAT +ATOM 54373 H2 TIP3 16021 -2.811 -26.630 38.346 1.00 0.00 WAT +ATOM 54374 OH2 TIP3 16022 7.520 -25.964 34.172 1.00 0.00 WAT +ATOM 54375 H1 TIP3 16022 8.099 -26.619 33.738 1.00 0.00 WAT +ATOM 54376 H2 TIP3 16022 7.462 -26.330 35.080 1.00 0.00 WAT +ATOM 54377 OH2 TIP3 16023 6.905 -26.556 36.942 1.00 0.00 WAT +ATOM 54378 H1 TIP3 16023 5.966 -26.374 37.123 1.00 0.00 WAT +ATOM 54379 H2 TIP3 16023 7.099 -27.198 37.650 1.00 0.00 WAT +ATOM 54380 OH2 TIP3 16024 0.002 -42.109 43.011 1.00 0.00 WAT +ATOM 54381 H1 TIP3 16024 -0.677 -42.219 42.336 1.00 0.00 WAT +ATOM 54382 H2 TIP3 16024 0.182 -41.153 43.015 1.00 0.00 WAT +ATOM 54383 OH2 TIP3 16025 8.774 -33.644 32.946 1.00 0.00 WAT +ATOM 54384 H1 TIP3 16025 8.579 -33.800 32.003 1.00 0.00 WAT +ATOM 54385 H2 TIP3 16025 9.706 -33.368 32.898 1.00 0.00 WAT +ATOM 54386 OH2 TIP3 16026 4.423 -39.929 33.408 1.00 0.00 WAT +ATOM 54387 H1 TIP3 16026 3.889 -40.036 34.221 1.00 0.00 WAT +ATOM 54388 H2 TIP3 16026 3.931 -40.544 32.821 1.00 0.00 WAT +ATOM 54389 OH2 TIP3 16027 0.059 -37.067 38.843 1.00 0.00 WAT +ATOM 54390 H1 TIP3 16027 -0.896 -37.160 38.666 1.00 0.00 WAT +ATOM 54391 H2 TIP3 16027 0.417 -37.280 37.957 1.00 0.00 WAT +ATOM 54392 OH2 TIP3 16028 5.662 -36.509 37.619 1.00 0.00 WAT +ATOM 54393 H1 TIP3 16028 5.248 -35.689 37.272 1.00 0.00 WAT +ATOM 54394 H2 TIP3 16028 6.332 -36.680 36.937 1.00 0.00 WAT +ATOM 54395 OH2 TIP3 16029 6.440 -37.097 40.418 1.00 0.00 WAT +ATOM 54396 H1 TIP3 16029 6.169 -36.534 39.665 1.00 0.00 WAT +ATOM 54397 H2 TIP3 16029 6.657 -37.918 39.930 1.00 0.00 WAT +ATOM 54398 OH2 TIP3 16030 0.852 -39.444 32.365 1.00 0.00 WAT +ATOM 54399 H1 TIP3 16030 0.531 -39.772 33.227 1.00 0.00 WAT +ATOM 54400 H2 TIP3 16030 0.038 -39.225 31.905 1.00 0.00 WAT +ATOM 54401 OH2 TIP3 16031 -5.509 -39.312 39.356 1.00 0.00 WAT +ATOM 54402 H1 TIP3 16031 -5.182 -39.584 40.232 1.00 0.00 WAT +ATOM 54403 H2 TIP3 16031 -5.236 -40.034 38.781 1.00 0.00 WAT +ATOM 54404 OH2 TIP3 16032 -4.162 -39.138 35.105 1.00 0.00 WAT +ATOM 54405 H1 TIP3 16032 -3.597 -38.602 34.516 1.00 0.00 WAT +ATOM 54406 H2 TIP3 16032 -4.857 -38.487 35.329 1.00 0.00 WAT +ATOM 54407 OH2 TIP3 16033 2.743 -39.404 39.827 1.00 0.00 WAT +ATOM 54408 H1 TIP3 16033 1.819 -39.593 40.056 1.00 0.00 WAT +ATOM 54409 H2 TIP3 16033 3.212 -39.749 40.604 1.00 0.00 WAT +ATOM 54410 OH2 TIP3 16034 -2.577 -38.231 38.488 1.00 0.00 WAT +ATOM 54411 H1 TIP3 16034 -3.456 -38.022 38.127 1.00 0.00 WAT +ATOM 54412 H2 TIP3 16034 -2.353 -39.076 38.053 1.00 0.00 WAT +ATOM 54413 OH2 TIP3 16035 0.999 -37.904 36.230 1.00 0.00 WAT +ATOM 54414 H1 TIP3 16035 1.971 -37.867 36.266 1.00 0.00 WAT +ATOM 54415 H2 TIP3 16035 0.772 -37.313 35.493 1.00 0.00 WAT +ATOM 54416 OH2 TIP3 16036 7.163 -40.706 42.677 1.00 0.00 WAT +ATOM 54417 H1 TIP3 16036 6.858 -40.472 43.569 1.00 0.00 WAT +ATOM 54418 H2 TIP3 16036 6.333 -40.758 42.178 1.00 0.00 WAT +ATOM 54419 OH2 TIP3 16037 -0.535 -36.707 33.971 1.00 0.00 WAT +ATOM 54420 H1 TIP3 16037 -1.112 -36.930 33.225 1.00 0.00 WAT +ATOM 54421 H2 TIP3 16037 0.287 -36.475 33.504 1.00 0.00 WAT +ATOM 54422 OH2 TIP3 16038 3.683 -37.070 41.933 1.00 0.00 WAT +ATOM 54423 H1 TIP3 16038 4.390 -37.386 41.349 1.00 0.00 WAT +ATOM 54424 H2 TIP3 16038 3.731 -37.720 42.649 1.00 0.00 WAT +ATOM 54425 OH2 TIP3 16039 -1.031 -40.670 37.882 1.00 0.00 WAT +ATOM 54426 H1 TIP3 16039 -1.481 -41.522 38.032 1.00 0.00 WAT +ATOM 54427 H2 TIP3 16039 -0.155 -40.958 37.584 1.00 0.00 WAT +ATOM 54428 OH2 TIP3 16040 2.920 -32.090 35.830 1.00 0.00 WAT +ATOM 54429 H1 TIP3 16040 2.165 -32.598 35.465 1.00 0.00 WAT +ATOM 54430 H2 TIP3 16040 2.728 -32.087 36.794 1.00 0.00 WAT +ATOM 54431 OH2 TIP3 16041 7.106 -39.293 33.415 1.00 0.00 WAT +ATOM 54432 H1 TIP3 16041 6.126 -39.384 33.464 1.00 0.00 WAT +ATOM 54433 H2 TIP3 16041 7.297 -38.631 34.110 1.00 0.00 WAT +ATOM 54434 OH2 TIP3 16042 7.756 -37.496 35.574 1.00 0.00 WAT +ATOM 54435 H1 TIP3 16042 8.615 -37.629 36.021 1.00 0.00 WAT +ATOM 54436 H2 TIP3 16042 7.852 -36.596 35.210 1.00 0.00 WAT +ATOM 54437 OH2 TIP3 16043 5.332 -30.734 34.754 1.00 0.00 WAT +ATOM 54438 H1 TIP3 16043 5.070 -29.862 35.116 1.00 0.00 WAT +ATOM 54439 H2 TIP3 16043 4.569 -31.277 35.023 1.00 0.00 WAT +ATOM 54440 OH2 TIP3 16044 12.381 -37.463 35.380 1.00 0.00 WAT +ATOM 54441 H1 TIP3 16044 11.808 -37.647 34.609 1.00 0.00 WAT +ATOM 54442 H2 TIP3 16044 12.494 -36.499 35.252 1.00 0.00 WAT +ATOM 54443 OH2 TIP3 16045 10.524 -28.846 35.448 1.00 0.00 WAT +ATOM 54444 H1 TIP3 16045 10.347 -29.597 36.034 1.00 0.00 WAT +ATOM 54445 H2 TIP3 16045 11.119 -29.215 34.781 1.00 0.00 WAT +ATOM 54446 OH2 TIP3 16046 7.646 -33.350 42.463 1.00 0.00 WAT +ATOM 54447 H1 TIP3 16046 6.771 -33.699 42.705 1.00 0.00 WAT +ATOM 54448 H2 TIP3 16046 8.058 -34.110 42.013 1.00 0.00 WAT +ATOM 54449 OH2 TIP3 16047 0.480 -29.415 38.820 1.00 0.00 WAT +ATOM 54450 H1 TIP3 16047 0.903 -28.545 38.723 1.00 0.00 WAT +ATOM 54451 H2 TIP3 16047 -0.438 -29.203 38.614 1.00 0.00 WAT +ATOM 54452 OH2 TIP3 16048 -3.552 -34.620 33.512 1.00 0.00 WAT +ATOM 54453 H1 TIP3 16048 -2.978 -33.937 33.905 1.00 0.00 WAT +ATOM 54454 H2 TIP3 16048 -4.426 -34.350 33.853 1.00 0.00 WAT +ATOM 54455 OH2 TIP3 16049 2.193 -31.806 38.576 1.00 0.00 WAT +ATOM 54456 H1 TIP3 16049 1.936 -30.871 38.628 1.00 0.00 WAT +ATOM 54457 H2 TIP3 16049 1.429 -32.239 38.986 1.00 0.00 WAT +ATOM 54458 OH2 TIP3 16050 0.892 -26.515 38.142 1.00 0.00 WAT +ATOM 54459 H1 TIP3 16050 -0.060 -26.333 38.191 1.00 0.00 WAT +ATOM 54460 H2 TIP3 16050 1.264 -25.645 38.391 1.00 0.00 WAT +ATOM 54461 OH2 TIP3 16051 8.017 -30.427 33.354 1.00 0.00 WAT +ATOM 54462 H1 TIP3 16051 8.449 -30.864 34.111 1.00 0.00 WAT +ATOM 54463 H2 TIP3 16051 7.091 -30.554 33.619 1.00 0.00 WAT +ATOM 54464 OH2 TIP3 16052 12.768 -26.161 33.888 1.00 0.00 WAT +ATOM 54465 H1 TIP3 16052 13.457 -25.508 33.677 1.00 0.00 WAT +ATOM 54466 H2 TIP3 16052 11.996 -25.566 33.917 1.00 0.00 WAT +ATOM 54467 OH2 TIP3 16053 8.982 -31.820 35.728 1.00 0.00 WAT +ATOM 54468 H1 TIP3 16053 8.721 -32.521 36.348 1.00 0.00 WAT +ATOM 54469 H2 TIP3 16053 9.949 -31.809 35.835 1.00 0.00 WAT +ATOM 54470 OH2 TIP3 16054 2.266 -29.358 31.938 1.00 0.00 WAT +ATOM 54471 H1 TIP3 16054 2.559 -30.144 31.444 1.00 0.00 WAT +ATOM 54472 H2 TIP3 16054 1.846 -29.762 32.716 1.00 0.00 WAT +ATOM 54473 OH2 TIP3 16055 1.108 -29.859 34.658 1.00 0.00 WAT +ATOM 54474 H1 TIP3 16055 1.640 -30.369 35.285 1.00 0.00 WAT +ATOM 54475 H2 TIP3 16055 1.253 -28.939 34.965 1.00 0.00 WAT +ATOM 54476 OH2 TIP3 16056 -2.047 -32.409 35.055 1.00 0.00 WAT +ATOM 54477 H1 TIP3 16056 -2.779 -32.014 35.567 1.00 0.00 WAT +ATOM 54478 H2 TIP3 16056 -1.583 -31.610 34.750 1.00 0.00 WAT +ATOM 54479 OH2 TIP3 16057 6.378 -40.573 36.302 1.00 0.00 WAT +ATOM 54480 H1 TIP3 16057 6.427 -39.956 35.558 1.00 0.00 WAT +ATOM 54481 H2 TIP3 16057 6.713 -40.030 37.034 1.00 0.00 WAT +ATOM 54482 OH2 TIP3 16058 4.039 -28.252 35.273 1.00 0.00 WAT +ATOM 54483 H1 TIP3 16058 3.246 -27.728 35.467 1.00 0.00 WAT +ATOM 54484 H2 TIP3 16058 4.431 -27.747 34.547 1.00 0.00 WAT +ATOM 54485 OH2 TIP3 16059 3.677 -38.501 37.303 1.00 0.00 WAT +ATOM 54486 H1 TIP3 16059 4.430 -37.894 37.459 1.00 0.00 WAT +ATOM 54487 H2 TIP3 16059 3.376 -38.690 38.214 1.00 0.00 WAT +ATOM 54488 OH2 TIP3 16060 4.301 -41.716 38.240 1.00 0.00 WAT +ATOM 54489 H1 TIP3 16060 4.113 -41.002 38.867 1.00 0.00 WAT +ATOM 54490 H2 TIP3 16060 4.952 -41.301 37.648 1.00 0.00 WAT +ATOM 54491 OH2 TIP3 16061 1.243 -27.153 35.279 1.00 0.00 WAT +ATOM 54492 H1 TIP3 16061 1.196 -26.345 34.723 1.00 0.00 WAT +ATOM 54493 H2 TIP3 16061 1.131 -26.786 36.175 1.00 0.00 WAT +ATOM 54494 OH2 TIP3 16062 -0.068 -40.511 34.779 1.00 0.00 WAT +ATOM 54495 H1 TIP3 16062 -0.063 -39.720 35.347 1.00 0.00 WAT +ATOM 54496 H2 TIP3 16062 0.796 -40.896 35.025 1.00 0.00 WAT +ATOM 54497 OH2 TIP3 16063 8.777 -35.720 41.373 1.00 0.00 WAT +ATOM 54498 H1 TIP3 16063 7.967 -36.177 41.088 1.00 0.00 WAT +ATOM 54499 H2 TIP3 16063 9.313 -36.471 41.717 1.00 0.00 WAT +ATOM 54500 OH2 TIP3 16064 -1.630 -29.617 33.819 1.00 0.00 WAT +ATOM 54501 H1 TIP3 16064 -0.901 -29.101 34.204 1.00 0.00 WAT +ATOM 54502 H2 TIP3 16064 -1.135 -30.095 33.135 1.00 0.00 WAT +ATOM 54503 OH2 TIP3 16065 -3.500 -37.420 32.889 1.00 0.00 WAT +ATOM 54504 H1 TIP3 16065 -3.336 -36.493 33.153 1.00 0.00 WAT +ATOM 54505 H2 TIP3 16065 -4.430 -37.381 32.649 1.00 0.00 WAT +ATOM 54506 OH2 TIP3 16066 10.148 -25.527 43.818 1.00 0.00 WAT +ATOM 54507 H1 TIP3 16066 9.955 -24.727 43.290 1.00 0.00 WAT +ATOM 54508 H2 TIP3 16066 10.602 -26.019 43.128 1.00 0.00 WAT +ATOM 54509 OH2 TIP3 16067 -3.298 -42.413 41.803 1.00 0.00 WAT +ATOM 54510 H1 TIP3 16067 -3.027 -42.419 40.877 1.00 0.00 WAT +ATOM 54511 H2 TIP3 16067 -3.004 -43.309 42.059 1.00 0.00 WAT +ATOM 54512 OH2 TIP3 16068 -3.680 -28.913 38.008 1.00 0.00 WAT +ATOM 54513 H1 TIP3 16068 -4.445 -28.361 38.217 1.00 0.00 WAT +ATOM 54514 H2 TIP3 16068 -3.263 -28.394 37.303 1.00 0.00 WAT +ATOM 54515 OH2 TIP3 16069 4.491 -27.661 32.435 1.00 0.00 WAT +ATOM 54516 H1 TIP3 16069 3.732 -28.275 32.339 1.00 0.00 WAT +ATOM 54517 H2 TIP3 16069 5.200 -28.202 32.052 1.00 0.00 WAT +ATOM 54518 OH2 TIP3 16070 9.111 -27.761 32.540 1.00 0.00 WAT +ATOM 54519 H1 TIP3 16070 9.282 -28.558 33.069 1.00 0.00 WAT +ATOM 54520 H2 TIP3 16070 9.907 -27.713 31.982 1.00 0.00 WAT +ATOM 54521 OH2 TIP3 16071 -0.096 -31.940 32.269 1.00 0.00 WAT +ATOM 54522 H1 TIP3 16071 0.085 -32.516 33.029 1.00 0.00 WAT +ATOM 54523 H2 TIP3 16071 0.770 -31.950 31.818 1.00 0.00 WAT +ATOM 54524 OH2 TIP3 16072 5.138 -30.610 31.888 1.00 0.00 WAT +ATOM 54525 H1 TIP3 16072 5.107 -30.644 32.860 1.00 0.00 WAT +ATOM 54526 H2 TIP3 16072 5.097 -31.567 31.680 1.00 0.00 WAT +ATOM 54527 OH2 TIP3 16073 1.003 -33.851 34.617 1.00 0.00 WAT +ATOM 54528 H1 TIP3 16073 0.400 -34.355 35.183 1.00 0.00 WAT +ATOM 54529 H2 TIP3 16073 1.296 -34.535 33.982 1.00 0.00 WAT +ATOM 54530 OH2 TIP3 16074 1.941 -35.840 32.861 1.00 0.00 WAT +ATOM 54531 H1 TIP3 16074 1.920 -35.738 31.891 1.00 0.00 WAT +ATOM 54532 H2 TIP3 16074 2.901 -35.878 33.030 1.00 0.00 WAT +ATOM 54533 OH2 TIP3 16075 11.467 -33.327 32.183 1.00 0.00 WAT +ATOM 54534 H1 TIP3 16075 11.348 -33.730 31.309 1.00 0.00 WAT +ATOM 54535 H2 TIP3 16075 11.360 -32.377 31.959 1.00 0.00 WAT +ATOM 54536 OH2 TIP3 16076 1.723 -24.627 33.957 1.00 0.00 WAT +ATOM 54537 H1 TIP3 16076 2.672 -24.480 34.079 1.00 0.00 WAT +ATOM 54538 H2 TIP3 16076 1.573 -24.142 33.135 1.00 0.00 WAT +ATOM 54539 OH2 TIP3 16077 -4.371 -30.224 33.546 1.00 0.00 WAT +ATOM 54540 H1 TIP3 16077 -3.418 -30.003 33.638 1.00 0.00 WAT +ATOM 54541 H2 TIP3 16077 -4.343 -30.971 32.916 1.00 0.00 WAT +ATOM 54542 OH2 TIP3 16078 -5.372 -25.013 38.234 1.00 0.00 WAT +ATOM 54543 H1 TIP3 16078 -6.090 -25.385 37.686 1.00 0.00 WAT +ATOM 54544 H2 TIP3 16078 -5.276 -25.698 38.925 1.00 0.00 WAT +ATOM 54545 OH2 TIP3 16079 -4.937 -27.009 40.182 1.00 0.00 WAT +ATOM 54546 H1 TIP3 16079 -5.348 -27.850 40.416 1.00 0.00 WAT +ATOM 54547 H2 TIP3 16079 -4.642 -26.729 41.068 1.00 0.00 WAT +ATOM 54548 OH2 TIP3 16080 12.732 -25.638 42.693 1.00 0.00 WAT +ATOM 54549 H1 TIP3 16080 12.504 -25.780 43.626 1.00 0.00 WAT +ATOM 54550 H2 TIP3 16080 13.696 -25.601 42.743 1.00 0.00 WAT +ATOM 54551 OH2 TIP3 16081 11.861 -31.951 36.128 1.00 0.00 WAT +ATOM 54552 H1 TIP3 16081 12.764 -31.622 36.299 1.00 0.00 WAT +ATOM 54553 H2 TIP3 16081 11.767 -32.580 36.865 1.00 0.00 WAT +ATOM 54554 OH2 TIP3 16082 12.352 -34.015 38.120 1.00 0.00 WAT +ATOM 54555 H1 TIP3 16082 11.649 -34.541 38.549 1.00 0.00 WAT +ATOM 54556 H2 TIP3 16082 13.005 -33.891 38.838 1.00 0.00 WAT +ATOM 54557 OH2 TIP3 16083 12.277 -31.679 43.361 1.00 0.00 WAT +ATOM 54558 H1 TIP3 16083 12.753 -32.181 42.695 1.00 0.00 WAT +ATOM 54559 H2 TIP3 16083 12.155 -30.817 42.941 1.00 0.00 WAT +ATOM 54560 OH2 TIP3 16084 12.575 -34.541 34.680 1.00 0.00 WAT +ATOM 54561 H1 TIP3 16084 12.061 -34.256 33.901 1.00 0.00 WAT +ATOM 54562 H2 TIP3 16084 12.434 -33.789 35.277 1.00 0.00 WAT +ATOM 54563 OH2 TIP3 16085 10.836 -36.985 32.943 1.00 0.00 WAT +ATOM 54564 H1 TIP3 16085 11.121 -36.378 32.243 1.00 0.00 WAT +ATOM 54565 H2 TIP3 16085 10.588 -37.783 32.442 1.00 0.00 WAT +ATOM 54566 OH2 TIP3 16086 10.234 -35.830 38.934 1.00 0.00 WAT +ATOM 54567 H1 TIP3 16086 10.167 -36.783 38.753 1.00 0.00 WAT +ATOM 54568 H2 TIP3 16086 9.865 -35.755 39.834 1.00 0.00 WAT +ATOM 54569 OH2 TIP3 16087 10.260 -39.700 32.109 1.00 0.00 WAT +ATOM 54570 H1 TIP3 16087 10.853 -40.125 32.753 1.00 0.00 WAT +ATOM 54571 H2 TIP3 16087 9.432 -40.182 32.230 1.00 0.00 WAT +ATOM 54572 OH2 TIP3 16088 10.082 -38.271 37.117 1.00 0.00 WAT +ATOM 54573 H1 TIP3 16088 10.251 -39.241 37.170 1.00 0.00 WAT +ATOM 54574 H2 TIP3 16088 10.905 -37.976 36.691 1.00 0.00 WAT +ATOM 54575 OH2 TIP3 16089 10.305 -37.757 42.192 1.00 0.00 WAT +ATOM 54576 H1 TIP3 16089 11.261 -37.726 42.355 1.00 0.00 WAT +ATOM 54577 H2 TIP3 16089 9.943 -37.847 43.091 1.00 0.00 WAT +ATOM 54578 OH2 TIP3 16090 10.391 -40.992 37.191 1.00 0.00 WAT +ATOM 54579 H1 TIP3 16090 10.567 -41.490 38.001 1.00 0.00 WAT +ATOM 54580 H2 TIP3 16090 9.759 -41.586 36.742 1.00 0.00 WAT +ATOM 54581 OH2 TIP3 16091 -4.152 -39.817 41.935 1.00 0.00 WAT +ATOM 54582 H1 TIP3 16091 -4.020 -40.791 41.988 1.00 0.00 WAT +ATOM 54583 H2 TIP3 16091 -3.488 -39.522 42.566 1.00 0.00 WAT +ATOM 54584 OH2 TIP3 16092 -5.815 -37.027 42.981 1.00 0.00 WAT +ATOM 54585 H1 TIP3 16092 -5.378 -37.485 42.245 1.00 0.00 WAT +ATOM 54586 H2 TIP3 16092 -5.332 -36.191 42.998 1.00 0.00 WAT +ATOM 54587 OH2 TIP3 16093 12.515 -40.572 33.806 1.00 0.00 WAT +ATOM 54588 H1 TIP3 16093 12.685 -41.424 33.351 1.00 0.00 WAT +ATOM 54589 H2 TIP3 16093 13.382 -40.146 33.801 1.00 0.00 WAT +ATOM 54590 OH2 TIP3 16094 -5.175 -41.103 36.854 1.00 0.00 WAT +ATOM 54591 H1 TIP3 16094 -6.133 -40.968 36.737 1.00 0.00 WAT +ATOM 54592 H2 TIP3 16094 -4.788 -40.357 36.352 1.00 0.00 WAT +ATOM 54593 OH2 TIP3 16095 9.405 -25.691 38.990 1.00 0.00 WAT +ATOM 54594 H1 TIP3 16095 9.954 -25.922 38.222 1.00 0.00 WAT +ATOM 54595 H2 TIP3 16095 10.052 -25.316 39.606 1.00 0.00 WAT +ATOM 54596 OH2 TIP3 16096 -3.348 -26.797 42.563 1.00 0.00 WAT +ATOM 54597 H1 TIP3 16096 -3.073 -26.582 43.483 1.00 0.00 WAT +ATOM 54598 H2 TIP3 16096 -2.470 -26.920 42.149 1.00 0.00 WAT +ATOM 54599 OH2 TIP3 16097 -1.213 -27.714 41.172 1.00 0.00 WAT +ATOM 54600 H1 TIP3 16097 -1.103 -28.667 41.311 1.00 0.00 WAT +ATOM 54601 H2 TIP3 16097 -0.333 -27.392 41.467 1.00 0.00 WAT +ATOM 54602 OH2 TIP3 16098 1.299 -27.073 42.128 1.00 0.00 WAT +ATOM 54603 H1 TIP3 16098 1.720 -27.900 41.860 1.00 0.00 WAT +ATOM 54604 H2 TIP3 16098 1.486 -27.071 43.074 1.00 0.00 WAT +ATOM 54605 OH2 TIP3 16099 4.693 -41.093 41.262 1.00 0.00 WAT +ATOM 54606 H1 TIP3 16099 4.082 -41.800 41.531 1.00 0.00 WAT +ATOM 54607 H2 TIP3 16099 5.370 -41.601 40.769 1.00 0.00 WAT +ATOM 54608 OH2 TIP3 16100 10.009 -43.500 41.481 1.00 0.00 WAT +ATOM 54609 H1 TIP3 16100 10.552 -42.789 41.119 1.00 0.00 WAT +ATOM 54610 H2 TIP3 16100 9.141 -43.109 41.625 1.00 0.00 WAT +ATOM 54611 OH2 TIP3 16101 12.020 -42.229 39.592 1.00 0.00 WAT +ATOM 54612 H1 TIP3 16101 12.496 -42.426 38.782 1.00 0.00 WAT +ATOM 54613 H2 TIP3 16101 12.119 -41.269 39.687 1.00 0.00 WAT +ATOM 54614 OH2 TIP3 16102 -2.916 -42.873 38.563 1.00 0.00 WAT +ATOM 54615 H1 TIP3 16102 -3.866 -43.034 38.514 1.00 0.00 WAT +ATOM 54616 H2 TIP3 16102 -2.587 -43.682 38.972 1.00 0.00 WAT +ATOM 54617 OH2 TIP3 16103 -4.379 -42.844 34.690 1.00 0.00 WAT +ATOM 54618 H1 TIP3 16103 -3.806 -42.290 34.134 1.00 0.00 WAT +ATOM 54619 H2 TIP3 16103 -4.731 -42.210 35.341 1.00 0.00 WAT +ATOM 54620 OH2 TIP3 16104 1.536 -42.353 38.891 1.00 0.00 WAT +ATOM 54621 H1 TIP3 16104 2.483 -42.321 38.679 1.00 0.00 WAT +ATOM 54622 H2 TIP3 16104 1.527 -42.875 39.704 1.00 0.00 WAT +ATOM 54623 OH2 TIP3 16105 6.867 -42.691 40.123 1.00 0.00 WAT +ATOM 54624 H1 TIP3 16105 7.514 -42.728 39.409 1.00 0.00 WAT +ATOM 54625 H2 TIP3 16105 7.111 -43.460 40.676 1.00 0.00 WAT +ATOM 54626 OH2 TIP3 16106 8.238 -42.722 36.183 1.00 0.00 WAT +ATOM 54627 H1 TIP3 16106 7.468 -42.136 36.040 1.00 0.00 WAT +ATOM 54628 H2 TIP3 16106 7.830 -43.595 36.253 1.00 0.00 WAT +ATOM 54629 OH2 TIP3 16107 -3.921 -26.967 35.957 1.00 0.00 WAT +ATOM 54630 H1 TIP3 16107 -4.538 -27.085 35.219 1.00 0.00 WAT +ATOM 54631 H2 TIP3 16107 -3.915 -26.001 36.017 1.00 0.00 WAT +ATOM 54632 OH2 TIP3 16108 -2.395 -41.096 33.147 1.00 0.00 WAT +ATOM 54633 H1 TIP3 16108 -1.690 -41.576 32.678 1.00 0.00 WAT +ATOM 54634 H2 TIP3 16108 -1.873 -40.642 33.834 1.00 0.00 WAT +ATOM 54635 OH2 TIP3 16109 2.787 -40.581 35.606 1.00 0.00 WAT +ATOM 54636 H1 TIP3 16109 2.900 -41.427 36.088 1.00 0.00 WAT +ATOM 54637 H2 TIP3 16109 2.999 -39.913 36.285 1.00 0.00 WAT +ATOM 54638 OH2 TIP3 16110 4.757 -25.138 34.059 1.00 0.00 WAT +ATOM 54639 H1 TIP3 16110 5.731 -25.114 34.013 1.00 0.00 WAT +ATOM 54640 H2 TIP3 16110 4.566 -25.789 33.365 1.00 0.00 WAT +ATOM 54641 OH2 TIP3 16111 11.278 -26.108 36.635 1.00 0.00 WAT +ATOM 54642 H1 TIP3 16111 11.027 -26.939 36.184 1.00 0.00 WAT +ATOM 54643 H2 TIP3 16111 11.215 -25.470 35.905 1.00 0.00 WAT +ATOM 54644 OH2 TIP3 16112 -2.508 -26.073 32.731 1.00 0.00 WAT +ATOM 54645 H1 TIP3 16112 -2.700 -25.725 33.614 1.00 0.00 WAT +ATOM 54646 H2 TIP3 16112 -1.680 -26.563 32.869 1.00 0.00 WAT +ATOM 54647 OH2 TIP3 16113 24.771 -33.779 38.921 1.00 0.00 WAT +ATOM 54648 H1 TIP3 16113 25.024 -32.924 39.321 1.00 0.00 WAT +ATOM 54649 H2 TIP3 16113 23.902 -33.534 38.582 1.00 0.00 WAT +ATOM 54650 OH2 TIP3 16114 23.830 -34.325 42.415 1.00 0.00 WAT +ATOM 54651 H1 TIP3 16114 23.793 -34.987 43.129 1.00 0.00 WAT +ATOM 54652 H2 TIP3 16114 23.615 -34.855 41.640 1.00 0.00 WAT +ATOM 54653 OH2 TIP3 16115 27.336 -31.546 40.348 1.00 0.00 WAT +ATOM 54654 H1 TIP3 16115 26.999 -32.217 40.967 1.00 0.00 WAT +ATOM 54655 H2 TIP3 16115 27.772 -30.996 41.036 1.00 0.00 WAT +ATOM 54656 OH2 TIP3 16116 16.977 -30.062 42.466 1.00 0.00 WAT +ATOM 54657 H1 TIP3 16116 16.704 -30.968 42.240 1.00 0.00 WAT +ATOM 54658 H2 TIP3 16116 17.935 -30.219 42.572 1.00 0.00 WAT +ATOM 54659 OH2 TIP3 16117 13.944 -36.591 37.790 1.00 0.00 WAT +ATOM 54660 H1 TIP3 16117 13.536 -35.712 37.879 1.00 0.00 WAT +ATOM 54661 H2 TIP3 16117 13.219 -37.096 37.401 1.00 0.00 WAT +ATOM 54662 OH2 TIP3 16118 14.695 -34.220 39.739 1.00 0.00 WAT +ATOM 54663 H1 TIP3 16118 14.912 -34.977 40.313 1.00 0.00 WAT +ATOM 54664 H2 TIP3 16118 15.525 -34.096 39.265 1.00 0.00 WAT +ATOM 54665 OH2 TIP3 16119 24.453 -26.144 41.106 1.00 0.00 WAT +ATOM 54666 H1 TIP3 16119 25.132 -26.790 40.849 1.00 0.00 WAT +ATOM 54667 H2 TIP3 16119 24.228 -26.423 42.007 1.00 0.00 WAT +ATOM 54668 OH2 TIP3 16120 21.897 -32.041 42.782 1.00 0.00 WAT +ATOM 54669 H1 TIP3 16120 22.369 -32.693 42.243 1.00 0.00 WAT +ATOM 54670 H2 TIP3 16120 22.680 -31.639 43.218 1.00 0.00 WAT +ATOM 54671 OH2 TIP3 16121 25.432 -37.202 43.105 1.00 0.00 WAT +ATOM 54672 H1 TIP3 16121 25.773 -38.060 43.421 1.00 0.00 WAT +ATOM 54673 H2 TIP3 16121 25.368 -37.320 42.148 1.00 0.00 WAT +ATOM 54674 OH2 TIP3 16122 18.513 -39.425 40.392 1.00 0.00 WAT +ATOM 54675 H1 TIP3 16122 18.654 -38.556 39.976 1.00 0.00 WAT +ATOM 54676 H2 TIP3 16122 18.166 -39.928 39.629 1.00 0.00 WAT +ATOM 54677 OH2 TIP3 16123 26.460 -39.023 38.715 1.00 0.00 WAT +ATOM 54678 H1 TIP3 16123 26.935 -39.572 39.382 1.00 0.00 WAT +ATOM 54679 H2 TIP3 16123 27.206 -38.793 38.126 1.00 0.00 WAT +ATOM 54680 OH2 TIP3 16124 15.549 -36.708 40.991 1.00 0.00 WAT +ATOM 54681 H1 TIP3 16124 15.847 -37.399 41.586 1.00 0.00 WAT +ATOM 54682 H2 TIP3 16124 15.482 -37.186 40.147 1.00 0.00 WAT +ATOM 54683 OH2 TIP3 16125 20.604 -35.305 40.507 1.00 0.00 WAT +ATOM 54684 H1 TIP3 16125 21.280 -35.910 40.859 1.00 0.00 WAT +ATOM 54685 H2 TIP3 16125 20.096 -35.899 39.924 1.00 0.00 WAT +ATOM 54686 OH2 TIP3 16126 24.839 -30.870 37.881 1.00 0.00 WAT +ATOM 54687 H1 TIP3 16126 24.542 -30.929 36.967 1.00 0.00 WAT +ATOM 54688 H2 TIP3 16126 24.468 -30.009 38.153 1.00 0.00 WAT +ATOM 54689 OH2 TIP3 16127 28.246 -40.085 40.713 1.00 0.00 WAT +ATOM 54690 H1 TIP3 16127 27.913 -40.664 41.417 1.00 0.00 WAT +ATOM 54691 H2 TIP3 16127 28.787 -39.489 41.264 1.00 0.00 WAT +ATOM 54692 OH2 TIP3 16128 17.741 -38.492 42.970 1.00 0.00 WAT +ATOM 54693 H1 TIP3 16128 17.541 -37.561 42.815 1.00 0.00 WAT +ATOM 54694 H2 TIP3 16128 17.675 -38.892 42.084 1.00 0.00 WAT +ATOM 54695 OH2 TIP3 16129 14.621 -31.122 36.267 1.00 0.00 WAT +ATOM 54696 H1 TIP3 16129 14.415 -30.621 35.458 1.00 0.00 WAT +ATOM 54697 H2 TIP3 16129 14.782 -30.416 36.930 1.00 0.00 WAT +ATOM 54698 OH2 TIP3 16130 28.272 -30.725 42.695 1.00 0.00 WAT +ATOM 54699 H1 TIP3 16130 27.700 -30.746 43.488 1.00 0.00 WAT +ATOM 54700 H2 TIP3 16130 29.006 -30.175 42.982 1.00 0.00 WAT +ATOM 54701 OH2 TIP3 16131 21.378 43.803 41.672 1.00 0.00 WAT +ATOM 54702 H1 TIP3 16131 21.500 42.883 41.939 1.00 0.00 WAT +ATOM 54703 H2 TIP3 16131 20.679 44.116 42.276 1.00 0.00 WAT +ATOM 54704 OH2 TIP3 16132 26.350 -27.719 39.540 1.00 0.00 WAT +ATOM 54705 H1 TIP3 16132 26.884 -28.498 39.303 1.00 0.00 WAT +ATOM 54706 H2 TIP3 16132 27.022 -27.009 39.484 1.00 0.00 WAT +ATOM 54707 OH2 TIP3 16133 27.889 -29.926 38.195 1.00 0.00 WAT +ATOM 54708 H1 TIP3 16133 27.240 -30.275 37.573 1.00 0.00 WAT +ATOM 54709 H2 TIP3 16133 27.746 -30.507 38.970 1.00 0.00 WAT +ATOM 54710 OH2 TIP3 16134 24.426 -35.966 33.935 1.00 0.00 WAT +ATOM 54711 H1 TIP3 16134 25.244 -35.712 33.490 1.00 0.00 WAT +ATOM 54712 H2 TIP3 16134 23.939 -36.354 33.186 1.00 0.00 WAT +ATOM 54713 OH2 TIP3 16135 26.834 -34.604 37.288 1.00 0.00 WAT +ATOM 54714 H1 TIP3 16135 26.473 -33.987 37.960 1.00 0.00 WAT +ATOM 54715 H2 TIP3 16135 27.683 -34.861 37.710 1.00 0.00 WAT +ATOM 54716 OH2 TIP3 16136 18.772 -33.319 39.237 1.00 0.00 WAT +ATOM 54717 H1 TIP3 16136 18.375 -33.760 38.462 1.00 0.00 WAT +ATOM 54718 H2 TIP3 16136 19.315 -34.022 39.626 1.00 0.00 WAT +ATOM 54719 OH2 TIP3 16137 19.714 -30.191 41.566 1.00 0.00 WAT +ATOM 54720 H1 TIP3 16137 19.984 -30.589 40.730 1.00 0.00 WAT +ATOM 54721 H2 TIP3 16137 20.528 -30.200 42.088 1.00 0.00 WAT +ATOM 54722 OH2 TIP3 16138 18.912 -34.554 42.685 1.00 0.00 WAT +ATOM 54723 H1 TIP3 16138 19.626 -34.589 42.026 1.00 0.00 WAT +ATOM 54724 H2 TIP3 16138 19.361 -34.219 43.470 1.00 0.00 WAT +ATOM 54725 OH2 TIP3 16139 23.507 -28.124 38.556 1.00 0.00 WAT +ATOM 54726 H1 TIP3 16139 24.031 -27.761 39.282 1.00 0.00 WAT +ATOM 54727 H2 TIP3 16139 23.049 -27.338 38.219 1.00 0.00 WAT +ATOM 54728 OH2 TIP3 16140 29.263 -43.188 34.155 1.00 0.00 WAT +ATOM 54729 H1 TIP3 16140 28.848 -43.246 35.028 1.00 0.00 WAT +ATOM 54730 H2 TIP3 16140 30.064 -42.696 34.381 1.00 0.00 WAT +ATOM 54731 OH2 TIP3 16141 17.662 -34.635 36.789 1.00 0.00 WAT +ATOM 54732 H1 TIP3 16141 17.432 -33.862 36.241 1.00 0.00 WAT +ATOM 54733 H2 TIP3 16141 16.971 -35.262 36.539 1.00 0.00 WAT +ATOM 54734 OH2 TIP3 16142 30.936 -28.682 33.124 1.00 0.00 WAT +ATOM 54735 H1 TIP3 16142 31.159 -27.729 33.145 1.00 0.00 WAT +ATOM 54736 H2 TIP3 16142 31.809 -29.094 33.262 1.00 0.00 WAT +ATOM 54737 OH2 TIP3 16143 13.848 -29.199 42.339 1.00 0.00 WAT +ATOM 54738 H1 TIP3 16143 14.808 -29.218 42.452 1.00 0.00 WAT +ATOM 54739 H2 TIP3 16143 13.591 -28.428 42.861 1.00 0.00 WAT +ATOM 54740 OH2 TIP3 16144 23.119 -25.390 36.993 1.00 0.00 WAT +ATOM 54741 H1 TIP3 16144 23.086 -25.265 36.028 1.00 0.00 WAT +ATOM 54742 H2 TIP3 16144 23.102 -24.477 37.326 1.00 0.00 WAT +ATOM 54743 OH2 TIP3 16145 16.893 -26.255 38.614 1.00 0.00 WAT +ATOM 54744 H1 TIP3 16145 17.028 -26.707 39.471 1.00 0.00 WAT +ATOM 54745 H2 TIP3 16145 16.038 -26.615 38.340 1.00 0.00 WAT +ATOM 54746 OH2 TIP3 16146 26.367 -25.952 34.158 1.00 0.00 WAT +ATOM 54747 H1 TIP3 16146 26.916 -26.621 33.711 1.00 0.00 WAT +ATOM 54748 H2 TIP3 16146 26.305 -26.328 35.061 1.00 0.00 WAT +ATOM 54749 OH2 TIP3 16147 25.769 -26.571 36.935 1.00 0.00 WAT +ATOM 54750 H1 TIP3 16147 24.831 -26.366 37.101 1.00 0.00 WAT +ATOM 54751 H2 TIP3 16147 25.943 -27.198 37.660 1.00 0.00 WAT +ATOM 54752 OH2 TIP3 16148 18.903 -42.125 42.971 1.00 0.00 WAT +ATOM 54753 H1 TIP3 16148 18.176 -42.219 42.345 1.00 0.00 WAT +ATOM 54754 H2 TIP3 16148 19.044 -41.165 43.032 1.00 0.00 WAT +ATOM 54755 OH2 TIP3 16149 23.434 -39.926 33.435 1.00 0.00 WAT +ATOM 54756 H1 TIP3 16149 22.884 -40.073 34.236 1.00 0.00 WAT +ATOM 54757 H2 TIP3 16149 22.931 -40.496 32.810 1.00 0.00 WAT +ATOM 54758 OH2 TIP3 16150 18.920 -37.054 38.841 1.00 0.00 WAT +ATOM 54759 H1 TIP3 16150 17.955 -37.120 38.704 1.00 0.00 WAT +ATOM 54760 H2 TIP3 16150 19.238 -37.273 37.946 1.00 0.00 WAT +ATOM 54761 OH2 TIP3 16151 25.074 -37.053 40.168 1.00 0.00 WAT +ATOM 54762 H1 TIP3 16151 25.219 -36.294 39.585 1.00 0.00 WAT +ATOM 54763 H2 TIP3 16151 25.515 -37.791 39.692 1.00 0.00 WAT +ATOM 54764 OH2 TIP3 16152 19.719 -39.418 32.386 1.00 0.00 WAT +ATOM 54765 H1 TIP3 16152 19.305 -39.807 33.177 1.00 0.00 WAT +ATOM 54766 H2 TIP3 16152 18.954 -39.204 31.834 1.00 0.00 WAT +ATOM 54767 OH2 TIP3 16153 13.185 -39.469 39.414 1.00 0.00 WAT +ATOM 54768 H1 TIP3 16153 13.702 -39.579 40.232 1.00 0.00 WAT +ATOM 54769 H2 TIP3 16153 13.675 -39.976 38.755 1.00 0.00 WAT +ATOM 54770 OH2 TIP3 16154 14.726 -39.107 35.141 1.00 0.00 WAT +ATOM 54771 H1 TIP3 16154 15.244 -38.601 34.484 1.00 0.00 WAT +ATOM 54772 H2 TIP3 16154 14.004 -38.474 35.320 1.00 0.00 WAT +ATOM 54773 OH2 TIP3 16155 21.644 -39.412 39.715 1.00 0.00 WAT +ATOM 54774 H1 TIP3 16155 20.709 -39.556 39.939 1.00 0.00 WAT +ATOM 54775 H2 TIP3 16155 22.078 -39.725 40.526 1.00 0.00 WAT +ATOM 54776 OH2 TIP3 16156 16.265 -38.246 38.501 1.00 0.00 WAT +ATOM 54777 H1 TIP3 16156 15.415 -37.970 38.107 1.00 0.00 WAT +ATOM 54778 H2 TIP3 16156 16.470 -39.076 38.032 1.00 0.00 WAT +ATOM 54779 OH2 TIP3 16157 19.979 -37.957 36.220 1.00 0.00 WAT +ATOM 54780 H1 TIP3 16157 20.895 -37.650 36.211 1.00 0.00 WAT +ATOM 54781 H2 TIP3 16157 19.561 -37.418 35.519 1.00 0.00 WAT +ATOM 54782 OH2 TIP3 16158 26.002 -40.702 42.674 1.00 0.00 WAT +ATOM 54783 H1 TIP3 16158 25.710 -40.452 43.568 1.00 0.00 WAT +ATOM 54784 H2 TIP3 16158 25.165 -40.782 42.191 1.00 0.00 WAT +ATOM 54785 OH2 TIP3 16159 18.395 -36.769 34.007 1.00 0.00 WAT +ATOM 54786 H1 TIP3 16159 17.759 -36.941 33.291 1.00 0.00 WAT +ATOM 54787 H2 TIP3 16159 19.181 -36.541 33.484 1.00 0.00 WAT +ATOM 54788 OH2 TIP3 16160 22.530 -37.060 41.900 1.00 0.00 WAT +ATOM 54789 H1 TIP3 16160 23.223 -37.415 41.321 1.00 0.00 WAT +ATOM 54790 H2 TIP3 16160 22.549 -37.692 42.635 1.00 0.00 WAT +ATOM 54791 OH2 TIP3 16161 17.827 -40.670 37.896 1.00 0.00 WAT +ATOM 54792 H1 TIP3 16161 17.339 -41.503 38.037 1.00 0.00 WAT +ATOM 54793 H2 TIP3 16161 18.667 -40.992 37.545 1.00 0.00 WAT +ATOM 54794 OH2 TIP3 16162 22.124 -32.522 35.946 1.00 0.00 WAT +ATOM 54795 H1 TIP3 16162 21.309 -32.766 35.463 1.00 0.00 WAT +ATOM 54796 H2 TIP3 16162 21.770 -32.247 36.817 1.00 0.00 WAT +ATOM 54797 OH2 TIP3 16163 26.008 -38.948 33.721 1.00 0.00 WAT +ATOM 54798 H1 TIP3 16163 25.047 -39.144 33.668 1.00 0.00 WAT +ATOM 54799 H2 TIP3 16163 26.092 -38.294 34.417 1.00 0.00 WAT +ATOM 54800 OH2 TIP3 16164 16.777 -32.990 41.745 1.00 0.00 WAT +ATOM 54801 H1 TIP3 16164 17.370 -32.858 40.992 1.00 0.00 WAT +ATOM 54802 H2 TIP3 16164 17.261 -33.685 42.230 1.00 0.00 WAT +ATOM 54803 OH2 TIP3 16165 24.210 -30.720 34.786 1.00 0.00 WAT +ATOM 54804 H1 TIP3 16165 23.875 -29.851 35.099 1.00 0.00 WAT +ATOM 54805 H2 TIP3 16165 23.484 -31.314 35.049 1.00 0.00 WAT +ATOM 54806 OH2 TIP3 16166 31.256 -37.433 35.444 1.00 0.00 WAT +ATOM 54807 H1 TIP3 16166 30.730 -37.761 34.704 1.00 0.00 WAT +ATOM 54808 H2 TIP3 16166 31.353 -36.484 35.226 1.00 0.00 WAT +ATOM 54809 OH2 TIP3 16167 29.200 -28.993 35.352 1.00 0.00 WAT +ATOM 54810 H1 TIP3 16167 29.335 -29.630 36.066 1.00 0.00 WAT +ATOM 54811 H2 TIP3 16167 29.970 -29.114 34.774 1.00 0.00 WAT +ATOM 54812 OH2 TIP3 16168 26.537 -33.357 42.356 1.00 0.00 WAT +ATOM 54813 H1 TIP3 16168 25.710 -33.685 42.744 1.00 0.00 WAT +ATOM 54814 H2 TIP3 16168 26.957 -34.165 42.017 1.00 0.00 WAT +ATOM 54815 OH2 TIP3 16169 19.336 -29.437 38.680 1.00 0.00 WAT +ATOM 54816 H1 TIP3 16169 19.712 -28.542 38.737 1.00 0.00 WAT +ATOM 54817 H2 TIP3 16169 18.390 -29.244 38.669 1.00 0.00 WAT +ATOM 54818 OH2 TIP3 16170 15.312 -34.638 33.532 1.00 0.00 WAT +ATOM 54819 H1 TIP3 16170 15.864 -33.926 33.903 1.00 0.00 WAT +ATOM 54820 H2 TIP3 16170 14.424 -34.363 33.830 1.00 0.00 WAT +ATOM 54821 OH2 TIP3 16171 21.124 -31.725 38.507 1.00 0.00 WAT +ATOM 54822 H1 TIP3 16171 20.804 -30.806 38.574 1.00 0.00 WAT +ATOM 54823 H2 TIP3 16171 20.357 -32.209 38.859 1.00 0.00 WAT +ATOM 54824 OH2 TIP3 16172 19.751 -26.515 38.130 1.00 0.00 WAT +ATOM 54825 H1 TIP3 16172 18.794 -26.357 38.193 1.00 0.00 WAT +ATOM 54826 H2 TIP3 16172 20.104 -25.638 38.381 1.00 0.00 WAT +ATOM 54827 OH2 TIP3 16173 26.869 -30.614 33.309 1.00 0.00 WAT +ATOM 54828 H1 TIP3 16173 27.324 -30.830 34.143 1.00 0.00 WAT +ATOM 54829 H2 TIP3 16173 25.954 -30.575 33.633 1.00 0.00 WAT +ATOM 54830 OH2 TIP3 16174 31.825 -25.989 33.589 1.00 0.00 WAT +ATOM 54831 H1 TIP3 16174 32.518 -25.303 33.555 1.00 0.00 WAT +ATOM 54832 H2 TIP3 16174 31.040 -25.414 33.624 1.00 0.00 WAT +ATOM 54833 OH2 TIP3 16175 27.827 -31.957 35.670 1.00 0.00 WAT +ATOM 54834 H1 TIP3 16175 27.629 -32.586 36.368 1.00 0.00 WAT +ATOM 54835 H2 TIP3 16175 28.774 -31.779 35.811 1.00 0.00 WAT +ATOM 54836 OH2 TIP3 16176 21.120 -29.364 31.957 1.00 0.00 WAT +ATOM 54837 H1 TIP3 16176 21.395 -30.122 31.413 1.00 0.00 WAT +ATOM 54838 H2 TIP3 16176 20.770 -29.810 32.748 1.00 0.00 WAT +ATOM 54839 OH2 TIP3 16177 20.253 -30.049 34.782 1.00 0.00 WAT +ATOM 54840 H1 TIP3 16177 20.383 -30.400 35.670 1.00 0.00 WAT +ATOM 54841 H2 TIP3 16177 20.242 -29.088 34.957 1.00 0.00 WAT +ATOM 54842 OH2 TIP3 16178 16.820 -32.403 35.066 1.00 0.00 WAT +ATOM 54843 H1 TIP3 16178 16.072 -32.029 35.575 1.00 0.00 WAT +ATOM 54844 H2 TIP3 16178 17.238 -31.584 34.744 1.00 0.00 WAT +ATOM 54845 OH2 TIP3 16179 25.152 -40.548 36.347 1.00 0.00 WAT +ATOM 54846 H1 TIP3 16179 25.394 -40.087 35.533 1.00 0.00 WAT +ATOM 54847 H2 TIP3 16179 25.684 -40.111 37.028 1.00 0.00 WAT +ATOM 54848 OH2 TIP3 16180 22.925 -28.246 35.282 1.00 0.00 WAT +ATOM 54849 H1 TIP3 16180 22.104 -27.761 35.465 1.00 0.00 WAT +ATOM 54850 H2 TIP3 16180 23.284 -27.740 34.538 1.00 0.00 WAT +ATOM 54851 OH2 TIP3 16181 22.972 -37.922 37.449 1.00 0.00 WAT +ATOM 54852 H1 TIP3 16181 23.743 -38.041 38.004 1.00 0.00 WAT +ATOM 54853 H2 TIP3 16181 22.325 -38.447 37.955 1.00 0.00 WAT +ATOM 54854 OH2 TIP3 16182 23.163 -41.729 38.287 1.00 0.00 WAT +ATOM 54855 H1 TIP3 16182 22.963 -40.993 38.884 1.00 0.00 WAT +ATOM 54856 H2 TIP3 16182 23.763 -41.324 37.635 1.00 0.00 WAT +ATOM 54857 OH2 TIP3 16183 20.078 -27.255 35.243 1.00 0.00 WAT +ATOM 54858 H1 TIP3 16183 20.030 -26.445 34.692 1.00 0.00 WAT +ATOM 54859 H2 TIP3 16183 19.949 -26.889 36.138 1.00 0.00 WAT +ATOM 54860 OH2 TIP3 16184 18.790 -40.531 34.795 1.00 0.00 WAT +ATOM 54861 H1 TIP3 16184 18.804 -39.717 35.325 1.00 0.00 WAT +ATOM 54862 H2 TIP3 16184 19.656 -40.917 35.007 1.00 0.00 WAT +ATOM 54863 OH2 TIP3 16185 27.631 -35.761 41.245 1.00 0.00 WAT +ATOM 54864 H1 TIP3 16185 26.798 -36.237 41.158 1.00 0.00 WAT +ATOM 54865 H2 TIP3 16185 28.199 -36.456 41.659 1.00 0.00 WAT +ATOM 54866 OH2 TIP3 16186 17.332 -29.666 33.878 1.00 0.00 WAT +ATOM 54867 H1 TIP3 16186 17.990 -29.018 34.176 1.00 0.00 WAT +ATOM 54868 H2 TIP3 16186 17.829 -30.113 33.174 1.00 0.00 WAT +ATOM 54869 OH2 TIP3 16187 15.367 -37.440 32.927 1.00 0.00 WAT +ATOM 54870 H1 TIP3 16187 15.488 -36.495 33.145 1.00 0.00 WAT +ATOM 54871 H2 TIP3 16187 14.496 -37.431 32.508 1.00 0.00 WAT +ATOM 54872 OH2 TIP3 16188 29.402 -24.810 43.804 1.00 0.00 WAT +ATOM 54873 H1 TIP3 16188 29.080 -24.336 43.008 1.00 0.00 WAT +ATOM 54874 H2 TIP3 16188 29.626 -25.649 43.387 1.00 0.00 WAT +ATOM 54875 OH2 TIP3 16189 15.546 -42.421 41.792 1.00 0.00 WAT +ATOM 54876 H1 TIP3 16189 15.830 -42.433 40.869 1.00 0.00 WAT +ATOM 54877 H2 TIP3 16189 15.847 -43.312 42.058 1.00 0.00 WAT +ATOM 54878 OH2 TIP3 16190 15.177 -28.925 37.973 1.00 0.00 WAT +ATOM 54879 H1 TIP3 16190 14.432 -28.385 38.272 1.00 0.00 WAT +ATOM 54880 H2 TIP3 16190 15.564 -28.360 37.286 1.00 0.00 WAT +ATOM 54881 OH2 TIP3 16191 23.355 -27.667 32.452 1.00 0.00 WAT +ATOM 54882 H1 TIP3 16191 22.597 -28.280 32.337 1.00 0.00 WAT +ATOM 54883 H2 TIP3 16191 24.062 -28.181 32.031 1.00 0.00 WAT +ATOM 54884 OH2 TIP3 16192 27.940 -27.813 32.521 1.00 0.00 WAT +ATOM 54885 H1 TIP3 16192 28.293 -28.520 33.086 1.00 0.00 WAT +ATOM 54886 H2 TIP3 16192 28.706 -27.610 31.951 1.00 0.00 WAT +ATOM 54887 OH2 TIP3 16193 18.767 -31.890 32.294 1.00 0.00 WAT +ATOM 54888 H1 TIP3 16193 18.938 -32.483 33.044 1.00 0.00 WAT +ATOM 54889 H2 TIP3 16193 19.610 -31.947 31.811 1.00 0.00 WAT +ATOM 54890 OH2 TIP3 16194 23.990 -30.582 31.883 1.00 0.00 WAT +ATOM 54891 H1 TIP3 16194 23.934 -30.622 32.852 1.00 0.00 WAT +ATOM 54892 H2 TIP3 16194 23.894 -31.530 31.662 1.00 0.00 WAT +ATOM 54893 OH2 TIP3 16195 19.870 -33.861 34.580 1.00 0.00 WAT +ATOM 54894 H1 TIP3 16195 19.210 -34.294 35.141 1.00 0.00 WAT +ATOM 54895 H2 TIP3 16195 20.095 -34.570 33.951 1.00 0.00 WAT +ATOM 54896 OH2 TIP3 16196 20.875 -35.882 32.877 1.00 0.00 WAT +ATOM 54897 H1 TIP3 16196 20.720 -35.845 31.914 1.00 0.00 WAT +ATOM 54898 H2 TIP3 16196 21.791 -35.599 32.926 1.00 0.00 WAT +ATOM 54899 OH2 TIP3 16197 29.909 -33.533 31.809 1.00 0.00 WAT +ATOM 54900 H1 TIP3 16197 30.619 -33.636 31.159 1.00 0.00 WAT +ATOM 54901 H2 TIP3 16197 29.956 -32.561 31.966 1.00 0.00 WAT +ATOM 54902 OH2 TIP3 16198 20.582 -24.648 33.954 1.00 0.00 WAT +ATOM 54903 H1 TIP3 16198 21.527 -24.484 34.086 1.00 0.00 WAT +ATOM 54904 H2 TIP3 16198 20.426 -24.141 33.147 1.00 0.00 WAT +ATOM 54905 OH2 TIP3 16199 14.499 -30.204 33.512 1.00 0.00 WAT +ATOM 54906 H1 TIP3 16199 15.454 -30.028 33.635 1.00 0.00 WAT +ATOM 54907 H2 TIP3 16199 14.507 -30.979 32.916 1.00 0.00 WAT +ATOM 54908 OH2 TIP3 16200 13.514 -25.031 38.220 1.00 0.00 WAT +ATOM 54909 H1 TIP3 16200 12.768 -25.382 37.696 1.00 0.00 WAT +ATOM 54910 H2 TIP3 16200 13.572 -25.692 38.939 1.00 0.00 WAT +ATOM 54911 OH2 TIP3 16201 13.909 -27.033 40.182 1.00 0.00 WAT +ATOM 54912 H1 TIP3 16201 13.599 -27.898 40.490 1.00 0.00 WAT +ATOM 54913 H2 TIP3 16201 14.138 -26.644 41.046 1.00 0.00 WAT +ATOM 54914 OH2 TIP3 16202 31.633 -25.981 42.677 1.00 0.00 WAT +ATOM 54915 H1 TIP3 16202 31.462 -25.907 43.635 1.00 0.00 WAT +ATOM 54916 H2 TIP3 16202 32.532 -25.629 42.647 1.00 0.00 WAT +ATOM 54917 OH2 TIP3 16203 30.703 -31.988 36.139 1.00 0.00 WAT +ATOM 54918 H1 TIP3 16203 31.589 -31.589 36.253 1.00 0.00 WAT +ATOM 54919 H2 TIP3 16203 30.688 -32.587 36.908 1.00 0.00 WAT +ATOM 54920 OH2 TIP3 16204 31.146 -34.014 38.133 1.00 0.00 WAT +ATOM 54921 H1 TIP3 16204 30.524 -34.603 38.589 1.00 0.00 WAT +ATOM 54922 H2 TIP3 16204 31.855 -33.889 38.801 1.00 0.00 WAT +ATOM 54923 OH2 TIP3 16205 31.004 -31.726 43.245 1.00 0.00 WAT +ATOM 54924 H1 TIP3 16205 31.706 -32.161 42.751 1.00 0.00 WAT +ATOM 54925 H2 TIP3 16205 31.100 -30.800 42.985 1.00 0.00 WAT +ATOM 54926 OH2 TIP3 16206 31.342 -34.560 34.646 1.00 0.00 WAT +ATOM 54927 H1 TIP3 16206 30.842 -34.168 33.917 1.00 0.00 WAT +ATOM 54928 H2 TIP3 16206 31.337 -33.826 35.286 1.00 0.00 WAT +ATOM 54929 OH2 TIP3 16207 29.226 -36.781 32.461 1.00 0.00 WAT +ATOM 54930 H1 TIP3 16207 30.068 -36.431 32.124 1.00 0.00 WAT +ATOM 54931 H2 TIP3 16207 29.385 -37.751 32.435 1.00 0.00 WAT +ATOM 54932 OH2 TIP3 16208 28.944 -35.926 38.789 1.00 0.00 WAT +ATOM 54933 H1 TIP3 16208 28.984 -36.893 38.785 1.00 0.00 WAT +ATOM 54934 H2 TIP3 16208 28.683 -35.745 39.714 1.00 0.00 WAT +ATOM 54935 OH2 TIP3 16209 13.969 -34.104 42.589 1.00 0.00 WAT +ATOM 54936 H1 TIP3 16209 14.315 -33.704 41.775 1.00 0.00 WAT +ATOM 54937 H2 TIP3 16209 14.730 -34.024 43.189 1.00 0.00 WAT +ATOM 54938 OH2 TIP3 16210 29.073 -39.607 32.231 1.00 0.00 WAT +ATOM 54939 H1 TIP3 16210 29.711 -40.158 32.719 1.00 0.00 WAT +ATOM 54940 H2 TIP3 16210 28.328 -40.216 32.104 1.00 0.00 WAT +ATOM 54941 OH2 TIP3 16211 28.441 -38.240 36.873 1.00 0.00 WAT +ATOM 54942 H1 TIP3 16211 28.813 -39.151 36.927 1.00 0.00 WAT +ATOM 54943 H2 TIP3 16211 29.219 -37.741 36.585 1.00 0.00 WAT +ATOM 54944 OH2 TIP3 16212 29.158 -37.726 42.185 1.00 0.00 WAT +ATOM 54945 H1 TIP3 16212 30.117 -37.732 42.341 1.00 0.00 WAT +ATOM 54946 H2 TIP3 16212 28.812 -37.859 43.087 1.00 0.00 WAT +ATOM 54947 OH2 TIP3 16213 29.196 -40.857 37.216 1.00 0.00 WAT +ATOM 54948 H1 TIP3 16213 29.509 -41.340 37.999 1.00 0.00 WAT +ATOM 54949 H2 TIP3 16213 28.689 -41.554 36.762 1.00 0.00 WAT +ATOM 54950 OH2 TIP3 16214 14.739 -39.815 41.881 1.00 0.00 WAT +ATOM 54951 H1 TIP3 16214 14.860 -40.788 41.966 1.00 0.00 WAT +ATOM 54952 H2 TIP3 16214 15.310 -39.511 42.594 1.00 0.00 WAT +ATOM 54953 OH2 TIP3 16215 13.088 -36.985 43.023 1.00 0.00 WAT +ATOM 54954 H1 TIP3 16215 13.511 -37.341 42.228 1.00 0.00 WAT +ATOM 54955 H2 TIP3 16215 13.358 -36.044 42.974 1.00 0.00 WAT +ATOM 54956 OH2 TIP3 16216 31.377 -40.540 33.770 1.00 0.00 WAT +ATOM 54957 H1 TIP3 16216 31.529 -41.413 33.349 1.00 0.00 WAT +ATOM 54958 H2 TIP3 16216 32.270 -40.169 33.817 1.00 0.00 WAT +ATOM 54959 OH2 TIP3 16217 13.691 -41.032 36.915 1.00 0.00 WAT +ATOM 54960 H1 TIP3 16217 12.742 -40.945 36.717 1.00 0.00 WAT +ATOM 54961 H2 TIP3 16217 14.088 -40.344 36.341 1.00 0.00 WAT +ATOM 54962 OH2 TIP3 16218 28.278 -25.732 38.974 1.00 0.00 WAT +ATOM 54963 H1 TIP3 16218 28.837 -25.944 38.210 1.00 0.00 WAT +ATOM 54964 H2 TIP3 16218 28.903 -25.309 39.583 1.00 0.00 WAT +ATOM 54965 OH2 TIP3 16219 15.306 -26.618 42.620 1.00 0.00 WAT +ATOM 54966 H1 TIP3 16219 15.650 -26.601 43.537 1.00 0.00 WAT +ATOM 54967 H2 TIP3 16219 16.139 -26.809 42.143 1.00 0.00 WAT +ATOM 54968 OH2 TIP3 16220 17.527 -27.521 41.153 1.00 0.00 WAT +ATOM 54969 H1 TIP3 16220 17.404 -28.451 41.433 1.00 0.00 WAT +ATOM 54970 H2 TIP3 16220 18.435 -27.340 41.469 1.00 0.00 WAT +ATOM 54971 OH2 TIP3 16221 20.200 -27.032 42.133 1.00 0.00 WAT +ATOM 54972 H1 TIP3 16221 20.517 -27.900 41.850 1.00 0.00 WAT +ATOM 54973 H2 TIP3 16221 20.325 -27.089 43.088 1.00 0.00 WAT +ATOM 54974 OH2 TIP3 16222 23.550 -41.083 41.253 1.00 0.00 WAT +ATOM 54975 H1 TIP3 16222 22.927 -41.775 41.539 1.00 0.00 WAT +ATOM 54976 H2 TIP3 16222 24.213 -41.614 40.765 1.00 0.00 WAT +ATOM 54977 OH2 TIP3 16223 28.888 -43.465 41.543 1.00 0.00 WAT +ATOM 54978 H1 TIP3 16223 29.409 -42.806 41.068 1.00 0.00 WAT +ATOM 54979 H2 TIP3 16223 27.998 -43.105 41.593 1.00 0.00 WAT +ATOM 54980 OH2 TIP3 16224 30.753 -42.178 39.521 1.00 0.00 WAT +ATOM 54981 H1 TIP3 16224 31.388 -42.458 38.857 1.00 0.00 WAT +ATOM 54982 H2 TIP3 16224 31.029 -41.261 39.705 1.00 0.00 WAT +ATOM 54983 OH2 TIP3 16225 15.934 -42.843 38.630 1.00 0.00 WAT +ATOM 54984 H1 TIP3 16225 15.008 -43.048 38.453 1.00 0.00 WAT +ATOM 54985 H2 TIP3 16225 16.274 -43.685 38.954 1.00 0.00 WAT +ATOM 54986 OH2 TIP3 16226 14.535 -42.904 34.882 1.00 0.00 WAT +ATOM 54987 H1 TIP3 16226 14.967 -42.413 34.159 1.00 0.00 WAT +ATOM 54988 H2 TIP3 16226 14.127 -42.181 35.389 1.00 0.00 WAT +ATOM 54989 OH2 TIP3 16227 20.432 -42.383 38.821 1.00 0.00 WAT +ATOM 54990 H1 TIP3 16227 21.398 -42.345 38.726 1.00 0.00 WAT +ATOM 54991 H2 TIP3 16227 20.328 -42.870 39.649 1.00 0.00 WAT +ATOM 54992 OH2 TIP3 16228 25.737 -42.682 40.114 1.00 0.00 WAT +ATOM 54993 H1 TIP3 16228 26.385 -42.758 39.404 1.00 0.00 WAT +ATOM 54994 H2 TIP3 16228 25.954 -43.447 40.684 1.00 0.00 WAT +ATOM 54995 OH2 TIP3 16229 27.074 -42.714 36.200 1.00 0.00 WAT +ATOM 54996 H1 TIP3 16229 26.262 -42.221 35.997 1.00 0.00 WAT +ATOM 54997 H2 TIP3 16229 26.755 -43.623 36.291 1.00 0.00 WAT +ATOM 54998 OH2 TIP3 16230 14.960 -26.969 35.920 1.00 0.00 WAT +ATOM 54999 H1 TIP3 16230 14.305 -27.075 35.214 1.00 0.00 WAT +ATOM 55000 H2 TIP3 16230 14.932 -26.008 36.033 1.00 0.00 WAT +ATOM 55001 OH2 TIP3 16231 16.428 -41.246 33.285 1.00 0.00 WAT +ATOM 55002 H1 TIP3 16231 17.138 -41.606 32.723 1.00 0.00 WAT +ATOM 55003 H2 TIP3 16231 16.949 -40.724 33.921 1.00 0.00 WAT +ATOM 55004 OH2 TIP3 16232 21.858 -40.502 35.662 1.00 0.00 WAT +ATOM 55005 H1 TIP3 16232 21.840 -41.406 36.043 1.00 0.00 WAT +ATOM 55006 H2 TIP3 16232 21.473 -39.955 36.352 1.00 0.00 WAT +ATOM 55007 OH2 TIP3 16233 23.617 -25.129 34.046 1.00 0.00 WAT +ATOM 55008 H1 TIP3 16233 24.592 -25.111 33.994 1.00 0.00 WAT +ATOM 55009 H2 TIP3 16233 23.421 -25.792 33.364 1.00 0.00 WAT +ATOM 55010 OH2 TIP3 16234 30.197 -26.112 36.509 1.00 0.00 WAT +ATOM 55011 H1 TIP3 16234 29.877 -26.910 36.057 1.00 0.00 WAT +ATOM 55012 H2 TIP3 16234 30.041 -25.433 35.823 1.00 0.00 WAT +ATOM 55013 OH2 TIP3 16235 16.367 -26.038 32.729 1.00 0.00 WAT +ATOM 55014 H1 TIP3 16235 16.136 -25.735 33.619 1.00 0.00 WAT +ATOM 55015 H2 TIP3 16235 17.175 -26.555 32.880 1.00 0.00 WAT +ATOM 55016 OH2 TIP3 16236 42.657 -34.434 42.114 1.00 0.00 WAT +ATOM 55017 H1 TIP3 16236 42.526 -34.904 42.952 1.00 0.00 WAT +ATOM 55018 H2 TIP3 16236 42.234 -35.015 41.467 1.00 0.00 WAT +ATOM 55019 OH2 TIP3 16237 35.837 -30.071 42.427 1.00 0.00 WAT +ATOM 55020 H1 TIP3 16237 35.577 -30.985 42.230 1.00 0.00 WAT +ATOM 55021 H2 TIP3 16237 36.799 -30.208 42.530 1.00 0.00 WAT +ATOM 55022 OH2 TIP3 16238 32.780 -36.650 37.787 1.00 0.00 WAT +ATOM 55023 H1 TIP3 16238 32.449 -35.744 37.898 1.00 0.00 WAT +ATOM 55024 H2 TIP3 16238 32.052 -37.075 37.315 1.00 0.00 WAT +ATOM 55025 OH2 TIP3 16239 33.524 -34.259 39.664 1.00 0.00 WAT +ATOM 55026 H1 TIP3 16239 33.757 -34.957 40.303 1.00 0.00 WAT +ATOM 55027 H2 TIP3 16239 34.393 -34.034 39.309 1.00 0.00 WAT +ATOM 55028 OH2 TIP3 16240 40.628 -32.268 42.822 1.00 0.00 WAT +ATOM 55029 H1 TIP3 16240 41.150 -32.719 42.142 1.00 0.00 WAT +ATOM 55030 H2 TIP3 16240 41.362 -31.792 43.267 1.00 0.00 WAT +ATOM 55031 OH2 TIP3 16241 37.339 -39.415 40.411 1.00 0.00 WAT +ATOM 55032 H1 TIP3 16241 37.543 -38.558 39.990 1.00 0.00 WAT +ATOM 55033 H2 TIP3 16241 37.018 -39.911 39.632 1.00 0.00 WAT +ATOM 55034 OH2 TIP3 16242 34.327 -36.739 41.004 1.00 0.00 WAT +ATOM 55035 H1 TIP3 16242 34.775 -37.366 41.575 1.00 0.00 WAT +ATOM 55036 H2 TIP3 16242 34.368 -37.192 40.144 1.00 0.00 WAT +ATOM 55037 OH2 TIP3 16243 39.436 -35.325 40.541 1.00 0.00 WAT +ATOM 55038 H1 TIP3 16243 40.161 -35.929 40.807 1.00 0.00 WAT +ATOM 55039 H2 TIP3 16243 38.953 -35.904 39.925 1.00 0.00 WAT +ATOM 55040 OH2 TIP3 16244 36.568 -38.520 42.971 1.00 0.00 WAT +ATOM 55041 H1 TIP3 16244 36.497 -37.572 42.809 1.00 0.00 WAT +ATOM 55042 H2 TIP3 16244 36.592 -38.905 42.074 1.00 0.00 WAT +ATOM 55043 OH2 TIP3 16245 33.413 -31.120 36.276 1.00 0.00 WAT +ATOM 55044 H1 TIP3 16245 33.302 -30.621 35.444 1.00 0.00 WAT +ATOM 55045 H2 TIP3 16245 33.622 -30.411 36.925 1.00 0.00 WAT +ATOM 55046 OH2 TIP3 16246 40.223 43.782 41.623 1.00 0.00 WAT +ATOM 55047 H1 TIP3 16246 40.414 42.881 41.926 1.00 0.00 WAT +ATOM 55048 H2 TIP3 16246 39.594 44.108 42.286 1.00 0.00 WAT +ATOM 55049 OH2 TIP3 16247 42.586 -34.313 36.303 1.00 0.00 WAT +ATOM 55050 H1 TIP3 16247 41.972 -33.572 36.143 1.00 0.00 WAT +ATOM 55051 H2 TIP3 16247 43.329 -34.077 35.745 1.00 0.00 WAT +ATOM 55052 OH2 TIP3 16248 42.880 -35.809 33.482 1.00 0.00 WAT +ATOM 55053 H1 TIP3 16248 43.652 -35.838 34.069 1.00 0.00 WAT +ATOM 55054 H2 TIP3 16248 42.976 -36.603 32.948 1.00 0.00 WAT +ATOM 55055 OH2 TIP3 16249 37.573 -33.366 39.279 1.00 0.00 WAT +ATOM 55056 H1 TIP3 16249 37.248 -33.801 38.467 1.00 0.00 WAT +ATOM 55057 H2 TIP3 16249 38.205 -34.015 39.625 1.00 0.00 WAT +ATOM 55058 OH2 TIP3 16250 38.559 -30.254 41.574 1.00 0.00 WAT +ATOM 55059 H1 TIP3 16250 38.889 -30.600 40.735 1.00 0.00 WAT +ATOM 55060 H2 TIP3 16250 39.364 -30.154 42.106 1.00 0.00 WAT +ATOM 55061 OH2 TIP3 16251 37.876 -34.719 42.796 1.00 0.00 WAT +ATOM 55062 H1 TIP3 16251 38.490 -34.610 42.047 1.00 0.00 WAT +ATOM 55063 H2 TIP3 16251 38.122 -33.995 43.390 1.00 0.00 WAT +ATOM 55064 OH2 TIP3 16252 42.527 -28.134 38.453 1.00 0.00 WAT +ATOM 55065 H1 TIP3 16252 43.003 -27.642 39.144 1.00 0.00 WAT +ATOM 55066 H2 TIP3 16252 42.012 -27.433 38.032 1.00 0.00 WAT +ATOM 55067 OH2 TIP3 16253 36.506 -34.630 36.807 1.00 0.00 WAT +ATOM 55068 H1 TIP3 16253 36.316 -33.864 36.237 1.00 0.00 WAT +ATOM 55069 H2 TIP3 16253 35.838 -35.264 36.517 1.00 0.00 WAT +ATOM 55070 OH2 TIP3 16254 32.687 -29.199 42.372 1.00 0.00 WAT +ATOM 55071 H1 TIP3 16254 33.652 -29.196 42.461 1.00 0.00 WAT +ATOM 55072 H2 TIP3 16254 32.447 -28.364 42.800 1.00 0.00 WAT +ATOM 55073 OH2 TIP3 16255 41.882 -25.389 36.986 1.00 0.00 WAT +ATOM 55074 H1 TIP3 16255 42.034 -25.323 36.032 1.00 0.00 WAT +ATOM 55075 H2 TIP3 16255 42.050 -24.495 37.310 1.00 0.00 WAT +ATOM 55076 OH2 TIP3 16256 35.736 -26.279 38.602 1.00 0.00 WAT +ATOM 55077 H1 TIP3 16256 35.904 -26.708 39.466 1.00 0.00 WAT +ATOM 55078 H2 TIP3 16256 34.850 -26.607 38.400 1.00 0.00 WAT +ATOM 55079 OH2 TIP3 16257 37.671 -42.100 43.044 1.00 0.00 WAT +ATOM 55080 H1 TIP3 16257 37.051 -42.181 42.313 1.00 0.00 WAT +ATOM 55081 H2 TIP3 16257 37.918 -41.157 43.048 1.00 0.00 WAT +ATOM 55082 OH2 TIP3 16258 42.262 -39.897 33.485 1.00 0.00 WAT +ATOM 55083 H1 TIP3 16258 41.604 -40.034 34.188 1.00 0.00 WAT +ATOM 55084 H2 TIP3 16258 41.910 -40.518 32.818 1.00 0.00 WAT +ATOM 55085 OH2 TIP3 16259 37.771 -37.074 38.848 1.00 0.00 WAT +ATOM 55086 H1 TIP3 16259 36.814 -37.130 38.678 1.00 0.00 WAT +ATOM 55087 H2 TIP3 16259 38.119 -37.251 37.951 1.00 0.00 WAT +ATOM 55088 OH2 TIP3 16260 42.740 -36.681 38.135 1.00 0.00 WAT +ATOM 55089 H1 TIP3 16260 42.696 -35.777 37.768 1.00 0.00 WAT +ATOM 55090 H2 TIP3 16260 43.289 -37.149 37.508 1.00 0.00 WAT +ATOM 55091 OH2 TIP3 16261 38.598 -39.349 32.381 1.00 0.00 WAT +ATOM 55092 H1 TIP3 16261 38.214 -39.785 33.161 1.00 0.00 WAT +ATOM 55093 H2 TIP3 16261 37.846 -39.261 31.783 1.00 0.00 WAT +ATOM 55094 OH2 TIP3 16262 31.968 -39.582 39.446 1.00 0.00 WAT +ATOM 55095 H1 TIP3 16262 32.544 -39.549 40.233 1.00 0.00 WAT +ATOM 55096 H2 TIP3 16262 32.550 -39.924 38.758 1.00 0.00 WAT +ATOM 55097 OH2 TIP3 16263 33.566 -39.126 35.148 1.00 0.00 WAT +ATOM 55098 H1 TIP3 16263 34.111 -38.628 34.501 1.00 0.00 WAT +ATOM 55099 H2 TIP3 16263 32.885 -38.459 35.347 1.00 0.00 WAT +ATOM 55100 OH2 TIP3 16264 40.443 -39.607 39.823 1.00 0.00 WAT +ATOM 55101 H1 TIP3 16264 39.523 -39.627 40.127 1.00 0.00 WAT +ATOM 55102 H2 TIP3 16264 40.927 -39.685 40.660 1.00 0.00 WAT +ATOM 55103 OH2 TIP3 16265 35.074 -38.271 38.542 1.00 0.00 WAT +ATOM 55104 H1 TIP3 16265 34.269 -37.973 38.079 1.00 0.00 WAT +ATOM 55105 H2 TIP3 16265 35.348 -39.067 38.048 1.00 0.00 WAT +ATOM 55106 OH2 TIP3 16266 38.667 -37.899 36.223 1.00 0.00 WAT +ATOM 55107 H1 TIP3 16266 39.638 -37.876 36.257 1.00 0.00 WAT +ATOM 55108 H2 TIP3 16266 38.448 -37.309 35.481 1.00 0.00 WAT +ATOM 55109 OH2 TIP3 16267 37.215 -36.694 33.964 1.00 0.00 WAT +ATOM 55110 H1 TIP3 16267 36.630 -36.959 33.238 1.00 0.00 WAT +ATOM 55111 H2 TIP3 16267 38.040 -36.521 33.481 1.00 0.00 WAT +ATOM 55112 OH2 TIP3 16268 41.309 -37.130 41.520 1.00 0.00 WAT +ATOM 55113 H1 TIP3 16268 41.964 -37.571 40.956 1.00 0.00 WAT +ATOM 55114 H2 TIP3 16268 41.498 -37.526 42.387 1.00 0.00 WAT +ATOM 55115 OH2 TIP3 16269 36.679 -40.656 37.917 1.00 0.00 WAT +ATOM 55116 H1 TIP3 16269 36.241 -41.518 38.034 1.00 0.00 WAT +ATOM 55117 H2 TIP3 16269 37.517 -40.908 37.504 1.00 0.00 WAT +ATOM 55118 OH2 TIP3 16270 40.728 -32.241 35.864 1.00 0.00 WAT +ATOM 55119 H1 TIP3 16270 39.942 -32.690 35.490 1.00 0.00 WAT +ATOM 55120 H2 TIP3 16270 40.496 -32.148 36.814 1.00 0.00 WAT +ATOM 55121 OH2 TIP3 16271 35.601 -33.069 41.696 1.00 0.00 WAT +ATOM 55122 H1 TIP3 16271 36.251 -32.875 41.002 1.00 0.00 WAT +ATOM 55123 H2 TIP3 16271 36.095 -33.702 42.242 1.00 0.00 WAT +ATOM 55124 OH2 TIP3 16272 42.872 -30.813 34.820 1.00 0.00 WAT +ATOM 55125 H1 TIP3 16272 42.590 -29.921 35.111 1.00 0.00 WAT +ATOM 55126 H2 TIP3 16272 42.115 -31.347 35.141 1.00 0.00 WAT +ATOM 55127 OH2 TIP3 16273 38.162 -29.440 38.696 1.00 0.00 WAT +ATOM 55128 H1 TIP3 16273 38.572 -28.562 38.748 1.00 0.00 WAT +ATOM 55129 H2 TIP3 16273 37.225 -29.212 38.663 1.00 0.00 WAT +ATOM 55130 OH2 TIP3 16274 34.171 -34.628 33.522 1.00 0.00 WAT +ATOM 55131 H1 TIP3 16274 34.788 -33.971 33.897 1.00 0.00 WAT +ATOM 55132 H2 TIP3 16274 33.320 -34.261 33.815 1.00 0.00 WAT +ATOM 55133 OH2 TIP3 16275 39.939 -31.744 38.556 1.00 0.00 WAT +ATOM 55134 H1 TIP3 16275 39.660 -30.814 38.594 1.00 0.00 WAT +ATOM 55135 H2 TIP3 16275 39.160 -32.196 38.916 1.00 0.00 WAT +ATOM 55136 OH2 TIP3 16276 38.607 -26.504 38.118 1.00 0.00 WAT +ATOM 55137 H1 TIP3 16276 37.651 -26.355 38.199 1.00 0.00 WAT +ATOM 55138 H2 TIP3 16276 38.965 -25.632 38.376 1.00 0.00 WAT +ATOM 55139 OH2 TIP3 16277 39.947 -29.328 31.947 1.00 0.00 WAT +ATOM 55140 H1 TIP3 16277 40.282 -30.094 31.442 1.00 0.00 WAT +ATOM 55141 H2 TIP3 16277 39.580 -29.769 32.733 1.00 0.00 WAT +ATOM 55142 OH2 TIP3 16278 38.872 -29.905 34.685 1.00 0.00 WAT +ATOM 55143 H1 TIP3 16278 39.339 -30.383 35.383 1.00 0.00 WAT +ATOM 55144 H2 TIP3 16278 38.971 -28.976 34.979 1.00 0.00 WAT +ATOM 55145 OH2 TIP3 16279 35.647 -32.416 35.048 1.00 0.00 WAT +ATOM 55146 H1 TIP3 16279 34.929 -32.007 35.569 1.00 0.00 WAT +ATOM 55147 H2 TIP3 16279 36.125 -31.623 34.747 1.00 0.00 WAT +ATOM 55148 OH2 TIP3 16280 41.684 -28.248 35.199 1.00 0.00 WAT +ATOM 55149 H1 TIP3 16280 40.891 -27.742 35.449 1.00 0.00 WAT +ATOM 55150 H2 TIP3 16280 42.096 -27.656 34.563 1.00 0.00 WAT +ATOM 55151 OH2 TIP3 16281 41.232 -38.738 37.307 1.00 0.00 WAT +ATOM 55152 H1 TIP3 16281 41.799 -37.992 37.594 1.00 0.00 WAT +ATOM 55153 H2 TIP3 16281 40.888 -38.988 38.191 1.00 0.00 WAT +ATOM 55154 OH2 TIP3 16282 41.935 -41.686 38.479 1.00 0.00 WAT +ATOM 55155 H1 TIP3 16282 41.746 -40.843 38.936 1.00 0.00 WAT +ATOM 55156 H2 TIP3 16282 42.706 -41.462 37.928 1.00 0.00 WAT +ATOM 55157 OH2 TIP3 16283 38.932 -27.177 35.273 1.00 0.00 WAT +ATOM 55158 H1 TIP3 16283 38.903 -26.359 34.733 1.00 0.00 WAT +ATOM 55159 H2 TIP3 16283 38.807 -26.826 36.175 1.00 0.00 WAT +ATOM 55160 OH2 TIP3 16284 37.655 -40.511 34.809 1.00 0.00 WAT +ATOM 55161 H1 TIP3 16284 37.678 -39.675 35.307 1.00 0.00 WAT +ATOM 55162 H2 TIP3 16284 38.553 -40.848 34.997 1.00 0.00 WAT +ATOM 55163 OH2 TIP3 16285 36.103 -29.621 33.818 1.00 0.00 WAT +ATOM 55164 H1 TIP3 16285 36.812 -29.089 34.216 1.00 0.00 WAT +ATOM 55165 H2 TIP3 16285 36.616 -30.108 33.155 1.00 0.00 WAT +ATOM 55166 OH2 TIP3 16286 34.225 -37.469 33.012 1.00 0.00 WAT +ATOM 55167 H1 TIP3 16286 34.381 -36.518 33.176 1.00 0.00 WAT +ATOM 55168 H2 TIP3 16286 33.466 -37.453 32.414 1.00 0.00 WAT +ATOM 55169 OH2 TIP3 16287 34.381 -42.448 41.784 1.00 0.00 WAT +ATOM 55170 H1 TIP3 16287 34.702 -42.433 40.873 1.00 0.00 WAT +ATOM 55171 H2 TIP3 16287 34.719 -43.324 42.057 1.00 0.00 WAT +ATOM 55172 OH2 TIP3 16288 33.998 -28.919 37.920 1.00 0.00 WAT +ATOM 55173 H1 TIP3 16288 33.272 -28.346 38.202 1.00 0.00 WAT +ATOM 55174 H2 TIP3 16288 34.451 -28.360 37.275 1.00 0.00 WAT +ATOM 55175 OH2 TIP3 16289 42.313 -27.684 32.245 1.00 0.00 WAT +ATOM 55176 H1 TIP3 16289 41.472 -28.185 32.270 1.00 0.00 WAT +ATOM 55177 H2 TIP3 16289 42.928 -28.425 32.105 1.00 0.00 WAT +ATOM 55178 OH2 TIP3 16290 37.620 -31.940 32.268 1.00 0.00 WAT +ATOM 55179 H1 TIP3 16290 37.814 -32.514 33.027 1.00 0.00 WAT +ATOM 55180 H2 TIP3 16290 38.480 -31.944 31.808 1.00 0.00 WAT +ATOM 55181 OH2 TIP3 16291 42.626 -30.607 31.830 1.00 0.00 WAT +ATOM 55182 H1 TIP3 16291 42.757 -30.504 32.789 1.00 0.00 WAT +ATOM 55183 H2 TIP3 16291 42.438 -31.559 31.770 1.00 0.00 WAT +ATOM 55184 OH2 TIP3 16292 38.693 -33.859 34.582 1.00 0.00 WAT +ATOM 55185 H1 TIP3 16292 38.098 -34.375 35.144 1.00 0.00 WAT +ATOM 55186 H2 TIP3 16292 39.031 -34.545 33.973 1.00 0.00 WAT +ATOM 55187 OH2 TIP3 16293 39.782 -35.847 32.899 1.00 0.00 WAT +ATOM 55188 H1 TIP3 16293 39.705 -35.778 31.929 1.00 0.00 WAT +ATOM 55189 H2 TIP3 16293 40.740 -35.741 33.020 1.00 0.00 WAT +ATOM 55190 OH2 TIP3 16294 39.573 -24.633 33.996 1.00 0.00 WAT +ATOM 55191 H1 TIP3 16294 40.532 -24.534 34.040 1.00 0.00 WAT +ATOM 55192 H2 TIP3 16294 39.376 -24.138 33.188 1.00 0.00 WAT +ATOM 55193 OH2 TIP3 16295 33.328 -30.238 33.592 1.00 0.00 WAT +ATOM 55194 H1 TIP3 16295 34.275 -29.985 33.631 1.00 0.00 WAT +ATOM 55195 H2 TIP3 16295 33.336 -30.926 32.899 1.00 0.00 WAT +ATOM 55196 OH2 TIP3 16296 32.359 -25.014 38.253 1.00 0.00 WAT +ATOM 55197 H1 TIP3 16296 31.666 -25.379 37.671 1.00 0.00 WAT +ATOM 55198 H2 TIP3 16296 32.427 -25.703 38.943 1.00 0.00 WAT +ATOM 55199 OH2 TIP3 16297 32.782 -27.051 40.164 1.00 0.00 WAT +ATOM 55200 H1 TIP3 16297 32.460 -27.909 40.475 1.00 0.00 WAT +ATOM 55201 H2 TIP3 16297 32.987 -26.659 41.033 1.00 0.00 WAT +ATOM 55202 OH2 TIP3 16298 32.828 -34.103 42.595 1.00 0.00 WAT +ATOM 55203 H1 TIP3 16298 33.195 -33.689 41.799 1.00 0.00 WAT +ATOM 55204 H2 TIP3 16298 33.581 -34.051 43.210 1.00 0.00 WAT +ATOM 55205 OH2 TIP3 16299 33.574 -39.827 41.879 1.00 0.00 WAT +ATOM 55206 H1 TIP3 16299 33.721 -40.795 41.974 1.00 0.00 WAT +ATOM 55207 H2 TIP3 16299 34.175 -39.494 42.555 1.00 0.00 WAT +ATOM 55208 OH2 TIP3 16300 31.931 -36.980 43.013 1.00 0.00 WAT +ATOM 55209 H1 TIP3 16300 32.412 -37.341 42.251 1.00 0.00 WAT +ATOM 55210 H2 TIP3 16300 32.218 -36.045 42.981 1.00 0.00 WAT +ATOM 55211 OH2 TIP3 16301 32.551 -41.051 36.878 1.00 0.00 WAT +ATOM 55212 H1 TIP3 16301 31.603 -40.891 36.738 1.00 0.00 WAT +ATOM 55213 H2 TIP3 16301 32.967 -40.343 36.342 1.00 0.00 WAT +ATOM 55214 OH2 TIP3 16302 34.271 -26.649 42.593 1.00 0.00 WAT +ATOM 55215 H1 TIP3 16302 34.557 -26.619 43.529 1.00 0.00 WAT +ATOM 55216 H2 TIP3 16302 35.126 -26.837 42.159 1.00 0.00 WAT +ATOM 55217 OH2 TIP3 16303 36.428 -27.538 41.107 1.00 0.00 WAT +ATOM 55218 H1 TIP3 16303 36.273 -28.454 41.415 1.00 0.00 WAT +ATOM 55219 H2 TIP3 16303 37.319 -27.353 41.465 1.00 0.00 WAT +ATOM 55220 OH2 TIP3 16304 39.073 -27.010 42.133 1.00 0.00 WAT +ATOM 55221 H1 TIP3 16304 39.399 -27.875 41.854 1.00 0.00 WAT +ATOM 55222 H2 TIP3 16304 39.175 -27.070 43.091 1.00 0.00 WAT +ATOM 55223 OH2 TIP3 16305 42.535 -41.291 41.321 1.00 0.00 WAT +ATOM 55224 H1 TIP3 16305 41.840 -41.918 41.566 1.00 0.00 WAT +ATOM 55225 H2 TIP3 16305 43.012 -41.784 40.648 1.00 0.00 WAT +ATOM 55226 OH2 TIP3 16306 34.768 -42.844 38.638 1.00 0.00 WAT +ATOM 55227 H1 TIP3 16306 33.861 -43.110 38.447 1.00 0.00 WAT +ATOM 55228 H2 TIP3 16306 35.167 -43.663 38.952 1.00 0.00 WAT +ATOM 55229 OH2 TIP3 16307 33.341 -42.900 34.858 1.00 0.00 WAT +ATOM 55230 H1 TIP3 16307 33.833 -42.429 34.159 1.00 0.00 WAT +ATOM 55231 H2 TIP3 16307 33.025 -42.162 35.408 1.00 0.00 WAT +ATOM 55232 OH2 TIP3 16308 39.343 -42.563 38.743 1.00 0.00 WAT +ATOM 55233 H1 TIP3 16308 40.272 -42.260 38.722 1.00 0.00 WAT +ATOM 55234 H2 TIP3 16308 39.275 -42.868 39.659 1.00 0.00 WAT +ATOM 55235 OH2 TIP3 16309 33.572 -26.959 35.770 1.00 0.00 WAT +ATOM 55236 H1 TIP3 16309 32.969 -26.956 35.009 1.00 0.00 WAT +ATOM 55237 H2 TIP3 16309 33.651 -26.006 35.917 1.00 0.00 WAT +ATOM 55238 OH2 TIP3 16310 35.280 -41.264 33.316 1.00 0.00 WAT +ATOM 55239 H1 TIP3 16310 35.978 -41.621 32.737 1.00 0.00 WAT +ATOM 55240 H2 TIP3 16310 35.820 -40.740 33.938 1.00 0.00 WAT +ATOM 55241 OH2 TIP3 16311 40.503 -40.678 35.564 1.00 0.00 WAT +ATOM 55242 H1 TIP3 16311 40.646 -41.514 36.044 1.00 0.00 WAT +ATOM 55243 H2 TIP3 16311 40.651 -39.995 36.255 1.00 0.00 WAT +ATOM 55244 OH2 TIP3 16312 42.642 -25.341 34.040 1.00 0.00 WAT +ATOM 55245 H1 TIP3 16312 43.509 -24.942 33.847 1.00 0.00 WAT +ATOM 55246 H2 TIP3 16312 42.487 -25.902 33.260 1.00 0.00 WAT +ATOM 55247 OH2 TIP3 16313 35.251 -26.038 32.787 1.00 0.00 WAT +ATOM 55248 H1 TIP3 16313 35.037 -25.735 33.681 1.00 0.00 WAT +ATOM 55249 H2 TIP3 16313 36.062 -26.553 32.918 1.00 0.00 WAT +ATOM 55250 OH2 TIP3 16314 -31.678 -14.837 39.225 1.00 0.00 WAT +ATOM 55251 H1 TIP3 16314 -31.611 -13.870 39.300 1.00 0.00 WAT +ATOM 55252 H2 TIP3 16314 -32.374 -14.924 38.557 1.00 0.00 WAT +ATOM 55253 OH2 TIP3 16315 -32.679 -15.451 42.467 1.00 0.00 WAT +ATOM 55254 H1 TIP3 16315 -32.778 -16.196 43.081 1.00 0.00 WAT +ATOM 55255 H2 TIP3 16315 -32.831 -15.862 41.605 1.00 0.00 WAT +ATOM 55256 OH2 TIP3 16316 -29.147 -12.698 40.388 1.00 0.00 WAT +ATOM 55257 H1 TIP3 16316 -29.544 -13.348 40.990 1.00 0.00 WAT +ATOM 55258 H2 TIP3 16316 -28.792 -12.085 41.072 1.00 0.00 WAT +ATOM 55259 OH2 TIP3 16317 -39.596 -11.236 42.426 1.00 0.00 WAT +ATOM 55260 H1 TIP3 16317 -39.777 -12.184 42.262 1.00 0.00 WAT +ATOM 55261 H2 TIP3 16317 -38.629 -11.315 42.543 1.00 0.00 WAT +ATOM 55262 OH2 TIP3 16318 -42.585 -17.768 37.107 1.00 0.00 WAT +ATOM 55263 H1 TIP3 16318 -42.931 -17.016 37.636 1.00 0.00 WAT +ATOM 55264 H2 TIP3 16318 -43.315 -18.374 37.248 1.00 0.00 WAT +ATOM 55265 OH2 TIP3 16319 -41.720 -15.045 40.085 1.00 0.00 WAT +ATOM 55266 H1 TIP3 16319 -42.047 -15.947 40.262 1.00 0.00 WAT +ATOM 55267 H2 TIP3 16319 -41.387 -15.151 39.190 1.00 0.00 WAT +ATOM 55268 OH2 TIP3 16320 -32.088 -7.270 41.127 1.00 0.00 WAT +ATOM 55269 H1 TIP3 16320 -31.461 -7.955 40.838 1.00 0.00 WAT +ATOM 55270 H2 TIP3 16320 -32.361 -7.578 42.006 1.00 0.00 WAT +ATOM 55271 OH2 TIP3 16321 -34.665 -13.170 42.804 1.00 0.00 WAT +ATOM 55272 H1 TIP3 16321 -34.220 -13.800 42.217 1.00 0.00 WAT +ATOM 55273 H2 TIP3 16321 -33.864 -12.782 43.217 1.00 0.00 WAT +ATOM 55274 OH2 TIP3 16322 -31.196 -18.507 43.251 1.00 0.00 WAT +ATOM 55275 H1 TIP3 16322 -30.707 -19.337 43.336 1.00 0.00 WAT +ATOM 55276 H2 TIP3 16322 -31.099 -18.309 42.301 1.00 0.00 WAT +ATOM 55277 OH2 TIP3 16323 -37.991 -20.567 40.386 1.00 0.00 WAT +ATOM 55278 H1 TIP3 16323 -37.904 -19.687 39.976 1.00 0.00 WAT +ATOM 55279 H2 TIP3 16323 -38.401 -21.060 39.647 1.00 0.00 WAT +ATOM 55280 OH2 TIP3 16324 -30.242 -20.311 38.728 1.00 0.00 WAT +ATOM 55281 H1 TIP3 16324 -29.669 -20.749 39.398 1.00 0.00 WAT +ATOM 55282 H2 TIP3 16324 -29.581 -19.993 38.101 1.00 0.00 WAT +ATOM 55283 OH2 TIP3 16325 -41.134 -17.907 41.042 1.00 0.00 WAT +ATOM 55284 H1 TIP3 16325 -40.771 -18.594 41.603 1.00 0.00 WAT +ATOM 55285 H2 TIP3 16325 -41.127 -18.353 40.178 1.00 0.00 WAT +ATOM 55286 OH2 TIP3 16326 -36.002 -16.452 40.536 1.00 0.00 WAT +ATOM 55287 H1 TIP3 16326 -35.276 -17.029 40.831 1.00 0.00 WAT +ATOM 55288 H2 TIP3 16326 -36.474 -17.040 39.917 1.00 0.00 WAT +ATOM 55289 OH2 TIP3 16327 -31.718 -11.980 37.926 1.00 0.00 WAT +ATOM 55290 H1 TIP3 16327 -32.001 -12.161 37.025 1.00 0.00 WAT +ATOM 55291 H2 TIP3 16327 -32.150 -11.127 38.114 1.00 0.00 WAT +ATOM 55292 OH2 TIP3 16328 -28.779 -20.851 41.088 1.00 0.00 WAT +ATOM 55293 H1 TIP3 16328 -29.094 -21.485 41.761 1.00 0.00 WAT +ATOM 55294 H2 TIP3 16328 -28.043 -20.438 41.581 1.00 0.00 WAT +ATOM 55295 OH2 TIP3 16329 -38.717 -19.560 42.962 1.00 0.00 WAT +ATOM 55296 H1 TIP3 16329 -39.043 -18.667 42.796 1.00 0.00 WAT +ATOM 55297 H2 TIP3 16329 -38.924 -20.037 42.140 1.00 0.00 WAT +ATOM 55298 OH2 TIP3 16330 -41.835 -12.334 36.293 1.00 0.00 WAT +ATOM 55299 H1 TIP3 16330 -42.638 -12.178 35.753 1.00 0.00 WAT +ATOM 55300 H2 TIP3 16330 -41.946 -11.691 37.010 1.00 0.00 WAT +ATOM 55301 OH2 TIP3 16331 -28.419 -11.350 42.574 1.00 0.00 WAT +ATOM 55302 H1 TIP3 16331 -29.048 -11.463 43.314 1.00 0.00 WAT +ATOM 55303 H2 TIP3 16331 -27.738 -10.810 42.983 1.00 0.00 WAT +ATOM 55304 OH2 TIP3 16332 -35.066 -24.177 41.840 1.00 0.00 WAT +ATOM 55305 H1 TIP3 16332 -35.165 -25.145 41.823 1.00 0.00 WAT +ATOM 55306 H2 TIP3 16332 -35.927 -23.901 42.211 1.00 0.00 WAT +ATOM 55307 OH2 TIP3 16333 -30.187 -8.871 39.648 1.00 0.00 WAT +ATOM 55308 H1 TIP3 16333 -29.717 -9.671 39.341 1.00 0.00 WAT +ATOM 55309 H2 TIP3 16333 -29.530 -8.177 39.450 1.00 0.00 WAT +ATOM 55310 OH2 TIP3 16334 -28.741 -11.026 38.214 1.00 0.00 WAT +ATOM 55311 H1 TIP3 16334 -29.284 -11.484 37.559 1.00 0.00 WAT +ATOM 55312 H2 TIP3 16334 -28.804 -11.649 38.967 1.00 0.00 WAT +ATOM 55313 OH2 TIP3 16335 -32.956 -15.295 36.424 1.00 0.00 WAT +ATOM 55314 H1 TIP3 16335 -33.619 -14.682 36.050 1.00 0.00 WAT +ATOM 55315 H2 TIP3 16335 -32.243 -15.235 35.767 1.00 0.00 WAT +ATOM 55316 OH2 TIP3 16336 -32.656 -17.144 33.493 1.00 0.00 WAT +ATOM 55317 H1 TIP3 16336 -31.966 -16.787 34.082 1.00 0.00 WAT +ATOM 55318 H2 TIP3 16336 -32.117 -17.662 32.877 1.00 0.00 WAT +ATOM 55319 OH2 TIP3 16337 -29.473 -15.293 37.503 1.00 0.00 WAT +ATOM 55320 H1 TIP3 16337 -30.133 -15.035 38.180 1.00 0.00 WAT +ATOM 55321 H2 TIP3 16337 -28.880 -15.857 38.029 1.00 0.00 WAT +ATOM 55322 OH2 TIP3 16338 -37.808 -14.458 39.249 1.00 0.00 WAT +ATOM 55323 H1 TIP3 16338 -38.202 -14.901 38.475 1.00 0.00 WAT +ATOM 55324 H2 TIP3 16338 -37.247 -15.152 39.626 1.00 0.00 WAT +ATOM 55325 OH2 TIP3 16339 -36.840 -11.352 41.588 1.00 0.00 WAT +ATOM 55326 H1 TIP3 16339 -36.620 -11.704 40.715 1.00 0.00 WAT +ATOM 55327 H2 TIP3 16339 -35.994 -11.384 42.055 1.00 0.00 WAT +ATOM 55328 OH2 TIP3 16340 -37.649 -15.779 42.734 1.00 0.00 WAT +ATOM 55329 H1 TIP3 16340 -36.993 -15.761 42.013 1.00 0.00 WAT +ATOM 55330 H2 TIP3 16340 -37.230 -15.249 43.419 1.00 0.00 WAT +ATOM 55331 OH2 TIP3 16341 -30.491 -15.844 34.934 1.00 0.00 WAT +ATOM 55332 H1 TIP3 16341 -30.027 -15.559 35.749 1.00 0.00 WAT +ATOM 55333 H2 TIP3 16341 -29.995 -15.327 34.251 1.00 0.00 WAT +ATOM 55334 OH2 TIP3 16342 -33.025 -9.246 38.528 1.00 0.00 WAT +ATOM 55335 H1 TIP3 16342 -32.565 -8.906 39.304 1.00 0.00 WAT +ATOM 55336 H2 TIP3 16342 -33.528 -8.475 38.223 1.00 0.00 WAT +ATOM 55337 OH2 TIP3 16343 -27.090 -24.099 34.515 1.00 0.00 WAT +ATOM 55338 H1 TIP3 16343 -27.943 -23.919 34.957 1.00 0.00 WAT +ATOM 55339 H2 TIP3 16343 -26.722 -23.209 34.405 1.00 0.00 WAT +ATOM 55340 OH2 TIP3 16344 -38.905 -15.768 36.780 1.00 0.00 WAT +ATOM 55341 H1 TIP3 16344 -39.155 -14.999 36.237 1.00 0.00 WAT +ATOM 55342 H2 TIP3 16344 -39.593 -16.406 36.548 1.00 0.00 WAT +ATOM 55343 OH2 TIP3 16345 -25.663 -9.966 32.962 1.00 0.00 WAT +ATOM 55344 H1 TIP3 16345 -25.510 -9.034 33.218 1.00 0.00 WAT +ATOM 55345 H2 TIP3 16345 -24.800 -10.372 33.174 1.00 0.00 WAT +ATOM 55346 OH2 TIP3 16346 -42.741 -10.607 42.412 1.00 0.00 WAT +ATOM 55347 H1 TIP3 16346 -41.798 -10.385 42.412 1.00 0.00 WAT +ATOM 55348 H2 TIP3 16346 -43.108 -9.817 42.841 1.00 0.00 WAT +ATOM 55349 OH2 TIP3 16347 -33.475 -6.526 37.000 1.00 0.00 WAT +ATOM 55350 H1 TIP3 16347 -33.486 -6.423 36.033 1.00 0.00 WAT +ATOM 55351 H2 TIP3 16347 -33.454 -5.609 37.317 1.00 0.00 WAT +ATOM 55352 OH2 TIP3 16348 -39.761 -7.393 38.626 1.00 0.00 WAT +ATOM 55353 H1 TIP3 16348 -39.535 -7.821 39.477 1.00 0.00 WAT +ATOM 55354 H2 TIP3 16348 -40.551 -7.905 38.385 1.00 0.00 WAT +ATOM 55355 OH2 TIP3 16349 -30.186 -7.101 34.177 1.00 0.00 WAT +ATOM 55356 H1 TIP3 16349 -29.618 -7.763 33.737 1.00 0.00 WAT +ATOM 55357 H2 TIP3 16349 -30.253 -7.475 35.079 1.00 0.00 WAT +ATOM 55358 OH2 TIP3 16350 -30.792 -7.672 36.984 1.00 0.00 WAT +ATOM 55359 H1 TIP3 16350 -31.746 -7.522 37.119 1.00 0.00 WAT +ATOM 55360 H2 TIP3 16350 -30.647 -8.400 37.612 1.00 0.00 WAT +ATOM 55361 OH2 TIP3 16351 -37.522 -23.295 42.937 1.00 0.00 WAT +ATOM 55362 H1 TIP3 16351 -38.360 -23.460 42.456 1.00 0.00 WAT +ATOM 55363 H2 TIP3 16351 -37.529 -22.329 43.038 1.00 0.00 WAT +ATOM 55364 OH2 TIP3 16352 -28.940 -14.774 32.946 1.00 0.00 WAT +ATOM 55365 H1 TIP3 16352 -29.140 -14.941 32.006 1.00 0.00 WAT +ATOM 55366 H2 TIP3 16352 -28.002 -14.518 32.894 1.00 0.00 WAT +ATOM 55367 OH2 TIP3 16353 -33.304 -21.037 33.404 1.00 0.00 WAT +ATOM 55368 H1 TIP3 16353 -33.799 -21.035 34.232 1.00 0.00 WAT +ATOM 55369 H2 TIP3 16353 -33.763 -21.734 32.910 1.00 0.00 WAT +ATOM 55370 OH2 TIP3 16354 -37.672 -18.215 38.838 1.00 0.00 WAT +ATOM 55371 H1 TIP3 16354 -38.634 -18.260 38.681 1.00 0.00 WAT +ATOM 55372 H2 TIP3 16354 -37.339 -18.416 37.944 1.00 0.00 WAT +ATOM 55373 OH2 TIP3 16355 -32.075 -17.650 37.628 1.00 0.00 WAT +ATOM 55374 H1 TIP3 16355 -32.475 -16.826 37.273 1.00 0.00 WAT +ATOM 55375 H2 TIP3 16355 -31.376 -17.815 36.972 1.00 0.00 WAT +ATOM 55376 OH2 TIP3 16356 -31.283 -18.236 40.439 1.00 0.00 WAT +ATOM 55377 H1 TIP3 16356 -31.560 -17.689 39.676 1.00 0.00 WAT +ATOM 55378 H2 TIP3 16356 -31.043 -19.057 39.959 1.00 0.00 WAT +ATOM 55379 OH2 TIP3 16357 -36.837 -20.592 32.379 1.00 0.00 WAT +ATOM 55380 H1 TIP3 16357 -37.264 -20.922 33.193 1.00 0.00 WAT +ATOM 55381 H2 TIP3 16357 -37.598 -20.353 31.833 1.00 0.00 WAT +ATOM 55382 OH2 TIP3 16358 -43.264 -20.493 39.426 1.00 0.00 WAT +ATOM 55383 H1 TIP3 16358 -43.007 -20.711 40.341 1.00 0.00 WAT +ATOM 55384 H2 TIP3 16358 -42.795 -21.163 38.927 1.00 0.00 WAT +ATOM 55385 OH2 TIP3 16359 -42.031 -20.169 35.217 1.00 0.00 WAT +ATOM 55386 H1 TIP3 16359 -41.512 -19.790 34.483 1.00 0.00 WAT +ATOM 55387 H2 TIP3 16359 -42.772 -19.554 35.256 1.00 0.00 WAT +ATOM 55388 OH2 TIP3 16360 -34.994 -20.636 39.821 1.00 0.00 WAT +ATOM 55389 H1 TIP3 16360 -35.933 -20.671 40.081 1.00 0.00 WAT +ATOM 55390 H2 TIP3 16360 -34.549 -20.825 40.662 1.00 0.00 WAT +ATOM 55391 OH2 TIP3 16361 -40.409 -19.326 38.482 1.00 0.00 WAT +ATOM 55392 H1 TIP3 16361 -41.207 -19.074 37.983 1.00 0.00 WAT +ATOM 55393 H2 TIP3 16361 -40.147 -20.159 38.052 1.00 0.00 WAT +ATOM 55394 OH2 TIP3 16362 -36.693 -19.120 36.168 1.00 0.00 WAT +ATOM 55395 H1 TIP3 16362 -35.738 -18.961 36.261 1.00 0.00 WAT +ATOM 55396 H2 TIP3 16362 -36.974 -18.474 35.494 1.00 0.00 WAT +ATOM 55397 OH2 TIP3 16363 -30.572 -21.956 42.849 1.00 0.00 WAT +ATOM 55398 H1 TIP3 16363 -30.912 -21.632 43.697 1.00 0.00 WAT +ATOM 55399 H2 TIP3 16363 -31.337 -21.882 42.254 1.00 0.00 WAT +ATOM 55400 OH2 TIP3 16364 -38.221 -17.841 33.992 1.00 0.00 WAT +ATOM 55401 H1 TIP3 16364 -38.850 -18.090 33.297 1.00 0.00 WAT +ATOM 55402 H2 TIP3 16364 -37.429 -17.628 33.466 1.00 0.00 WAT +ATOM 55403 OH2 TIP3 16365 -34.009 -18.216 41.879 1.00 0.00 WAT +ATOM 55404 H1 TIP3 16365 -33.263 -18.527 41.342 1.00 0.00 WAT +ATOM 55405 H2 TIP3 16365 -33.970 -18.821 42.632 1.00 0.00 WAT +ATOM 55406 OH2 TIP3 16366 -38.711 -21.722 37.920 1.00 0.00 WAT +ATOM 55407 H1 TIP3 16366 -39.185 -22.562 37.987 1.00 0.00 WAT +ATOM 55408 H2 TIP3 16366 -37.905 -21.974 37.452 1.00 0.00 WAT +ATOM 55409 OH2 TIP3 16367 -34.777 -13.238 35.827 1.00 0.00 WAT +ATOM 55410 H1 TIP3 16367 -35.544 -13.729 35.460 1.00 0.00 WAT +ATOM 55411 H2 TIP3 16367 -34.979 -13.209 36.787 1.00 0.00 WAT +ATOM 55412 OH2 TIP3 16368 -30.630 -20.426 33.622 1.00 0.00 WAT +ATOM 55413 H1 TIP3 16368 -31.609 -20.424 33.540 1.00 0.00 WAT +ATOM 55414 H2 TIP3 16368 -30.450 -19.665 34.206 1.00 0.00 WAT +ATOM 55415 OH2 TIP3 16369 -29.936 -18.556 35.681 1.00 0.00 WAT +ATOM 55416 H1 TIP3 16369 -29.007 -18.802 35.827 1.00 0.00 WAT +ATOM 55417 H2 TIP3 16369 -29.862 -17.685 35.247 1.00 0.00 WAT +ATOM 55418 OH2 TIP3 16370 -39.750 -13.954 41.833 1.00 0.00 WAT +ATOM 55419 H1 TIP3 16370 -39.257 -14.000 41.000 1.00 0.00 WAT +ATOM 55420 H2 TIP3 16370 -39.476 -14.793 42.239 1.00 0.00 WAT +ATOM 55421 OH2 TIP3 16371 -32.379 -11.880 34.771 1.00 0.00 WAT +ATOM 55422 H1 TIP3 16371 -32.639 -11.006 35.128 1.00 0.00 WAT +ATOM 55423 H2 TIP3 16371 -33.149 -12.420 35.027 1.00 0.00 WAT +ATOM 55424 OH2 TIP3 16372 -25.349 -18.638 35.371 1.00 0.00 WAT +ATOM 55425 H1 TIP3 16372 -25.909 -18.790 34.586 1.00 0.00 WAT +ATOM 55426 H2 TIP3 16372 -25.221 -17.674 35.274 1.00 0.00 WAT +ATOM 55427 OH2 TIP3 16373 -27.170 -9.984 35.461 1.00 0.00 WAT +ATOM 55428 H1 TIP3 16373 -27.367 -10.743 36.032 1.00 0.00 WAT +ATOM 55429 H2 TIP3 16373 -26.590 -10.362 34.786 1.00 0.00 WAT +ATOM 55430 OH2 TIP3 16374 -30.022 -14.480 42.475 1.00 0.00 WAT +ATOM 55431 H1 TIP3 16374 -30.925 -14.785 42.678 1.00 0.00 WAT +ATOM 55432 H2 TIP3 16374 -29.647 -15.255 42.017 1.00 0.00 WAT +ATOM 55433 OH2 TIP3 16375 -37.253 -10.575 38.734 1.00 0.00 WAT +ATOM 55434 H1 TIP3 16375 -36.863 -9.686 38.742 1.00 0.00 WAT +ATOM 55435 H2 TIP3 16375 -38.192 -10.373 38.634 1.00 0.00 WAT +ATOM 55436 OH2 TIP3 16376 -41.507 -15.596 33.597 1.00 0.00 WAT +ATOM 55437 H1 TIP3 16376 -40.829 -15.001 33.972 1.00 0.00 WAT +ATOM 55438 H2 TIP3 16376 -42.312 -15.148 33.897 1.00 0.00 WAT +ATOM 55439 OH2 TIP3 16377 -35.438 -12.872 38.617 1.00 0.00 WAT +ATOM 55440 H1 TIP3 16377 -35.768 -11.957 38.618 1.00 0.00 WAT +ATOM 55441 H2 TIP3 16377 -36.220 -13.358 38.928 1.00 0.00 WAT +ATOM 55442 OH2 TIP3 16378 -36.812 -7.650 38.118 1.00 0.00 WAT +ATOM 55443 H1 TIP3 16378 -37.769 -7.515 38.188 1.00 0.00 WAT +ATOM 55444 H2 TIP3 16378 -36.472 -6.774 38.386 1.00 0.00 WAT +ATOM 55445 OH2 TIP3 16379 -29.673 -11.555 33.361 1.00 0.00 WAT +ATOM 55446 H1 TIP3 16379 -29.269 -12.011 34.123 1.00 0.00 WAT +ATOM 55447 H2 TIP3 16379 -30.610 -11.692 33.587 1.00 0.00 WAT +ATOM 55448 OH2 TIP3 16380 -24.949 -7.301 33.899 1.00 0.00 WAT +ATOM 55449 H1 TIP3 16380 -24.252 -6.656 33.691 1.00 0.00 WAT +ATOM 55450 H2 TIP3 16380 -25.718 -6.702 33.902 1.00 0.00 WAT +ATOM 55451 OH2 TIP3 16381 -28.723 -12.952 35.738 1.00 0.00 WAT +ATOM 55452 H1 TIP3 16381 -28.989 -13.660 36.348 1.00 0.00 WAT +ATOM 55453 H2 TIP3 16381 -27.754 -12.962 35.833 1.00 0.00 WAT +ATOM 55454 OH2 TIP3 16382 -35.404 -10.473 32.007 1.00 0.00 WAT +ATOM 55455 H1 TIP3 16382 -35.213 -11.206 31.394 1.00 0.00 WAT +ATOM 55456 H2 TIP3 16382 -35.882 -10.927 32.722 1.00 0.00 WAT +ATOM 55457 OH2 TIP3 16383 -36.611 -11.003 34.669 1.00 0.00 WAT +ATOM 55458 H1 TIP3 16383 -36.108 -11.505 35.323 1.00 0.00 WAT +ATOM 55459 H2 TIP3 16383 -36.477 -10.079 34.965 1.00 0.00 WAT +ATOM 55460 OH2 TIP3 16384 -39.836 -13.585 35.029 1.00 0.00 WAT +ATOM 55461 H1 TIP3 16384 -40.560 -13.172 35.560 1.00 0.00 WAT +ATOM 55462 H2 TIP3 16384 -39.382 -12.774 34.743 1.00 0.00 WAT +ATOM 55463 OH2 TIP3 16385 -31.428 -21.695 36.304 1.00 0.00 WAT +ATOM 55464 H1 TIP3 16385 -31.236 -21.153 35.521 1.00 0.00 WAT +ATOM 55465 H2 TIP3 16385 -31.007 -21.178 37.011 1.00 0.00 WAT +ATOM 55466 OH2 TIP3 16386 -33.638 -9.359 35.291 1.00 0.00 WAT +ATOM 55467 H1 TIP3 16386 -34.473 -8.888 35.446 1.00 0.00 WAT +ATOM 55468 H2 TIP3 16386 -33.312 -8.921 34.491 1.00 0.00 WAT +ATOM 55469 OH2 TIP3 16387 -34.025 -19.674 37.256 1.00 0.00 WAT +ATOM 55470 H1 TIP3 16387 -33.282 -19.056 37.419 1.00 0.00 WAT +ATOM 55471 H2 TIP3 16387 -34.346 -19.843 38.162 1.00 0.00 WAT +ATOM 55472 OH2 TIP3 16388 -33.485 -22.685 38.201 1.00 0.00 WAT +ATOM 55473 H1 TIP3 16388 -33.656 -22.012 38.884 1.00 0.00 WAT +ATOM 55474 H2 TIP3 16388 -32.740 -22.276 37.718 1.00 0.00 WAT +ATOM 55475 OH2 TIP3 16389 -36.447 -8.290 35.255 1.00 0.00 WAT +ATOM 55476 H1 TIP3 16389 -36.511 -7.469 34.722 1.00 0.00 WAT +ATOM 55477 H2 TIP3 16389 -36.601 -7.958 36.158 1.00 0.00 WAT +ATOM 55478 OH2 TIP3 16390 -37.718 -21.639 34.807 1.00 0.00 WAT +ATOM 55479 H1 TIP3 16390 -37.751 -20.816 35.326 1.00 0.00 WAT +ATOM 55480 H2 TIP3 16390 -36.858 -22.004 35.098 1.00 0.00 WAT +ATOM 55481 OH2 TIP3 16391 -28.971 -16.888 41.456 1.00 0.00 WAT +ATOM 55482 H1 TIP3 16391 -29.741 -17.365 41.102 1.00 0.00 WAT +ATOM 55483 H2 TIP3 16391 -28.393 -17.631 41.749 1.00 0.00 WAT +ATOM 55484 OH2 TIP3 16392 -39.319 -10.753 33.854 1.00 0.00 WAT +ATOM 55485 H1 TIP3 16392 -38.549 -10.298 34.232 1.00 0.00 WAT +ATOM 55486 H2 TIP3 16392 -38.881 -11.263 33.158 1.00 0.00 WAT +ATOM 55487 OH2 TIP3 16393 -41.150 -18.581 33.016 1.00 0.00 WAT +ATOM 55488 H1 TIP3 16393 -41.099 -17.622 33.157 1.00 0.00 WAT +ATOM 55489 H2 TIP3 16393 -41.938 -18.686 32.473 1.00 0.00 WAT +ATOM 55490 OH2 TIP3 16394 -27.645 -7.062 43.174 1.00 0.00 WAT +ATOM 55491 H1 TIP3 16394 -28.275 -7.197 42.460 1.00 0.00 WAT +ATOM 55492 H2 TIP3 16394 -26.813 -7.414 42.840 1.00 0.00 WAT +ATOM 55493 OH2 TIP3 16395 -40.195 -23.739 41.667 1.00 0.00 WAT +ATOM 55494 H1 TIP3 16395 -40.581 -23.625 40.779 1.00 0.00 WAT +ATOM 55495 H2 TIP3 16395 -40.760 -24.425 42.054 1.00 0.00 WAT +ATOM 55496 OH2 TIP3 16396 -41.384 -9.921 38.027 1.00 0.00 WAT +ATOM 55497 H1 TIP3 16396 -42.304 -9.607 38.012 1.00 0.00 WAT +ATOM 55498 H2 TIP3 16396 -41.049 -9.587 37.184 1.00 0.00 WAT +ATOM 55499 OH2 TIP3 16397 -33.209 -8.819 32.474 1.00 0.00 WAT +ATOM 55500 H1 TIP3 16397 -33.996 -9.398 32.353 1.00 0.00 WAT +ATOM 55501 H2 TIP3 16397 -32.530 -9.375 32.062 1.00 0.00 WAT +ATOM 55502 OH2 TIP3 16398 -28.592 -8.897 32.547 1.00 0.00 WAT +ATOM 55503 H1 TIP3 16398 -28.452 -9.705 33.069 1.00 0.00 WAT +ATOM 55504 H2 TIP3 16398 -27.793 -8.873 31.994 1.00 0.00 WAT +ATOM 55505 OH2 TIP3 16399 -37.806 -13.039 32.305 1.00 0.00 WAT +ATOM 55506 H1 TIP3 16399 -37.605 -13.658 33.024 1.00 0.00 WAT +ATOM 55507 H2 TIP3 16399 -36.984 -13.072 31.781 1.00 0.00 WAT +ATOM 55508 OH2 TIP3 16400 -32.504 -11.748 31.889 1.00 0.00 WAT +ATOM 55509 H1 TIP3 16400 -32.627 -11.783 32.852 1.00 0.00 WAT +ATOM 55510 H2 TIP3 16400 -32.596 -12.698 31.669 1.00 0.00 WAT +ATOM 55511 OH2 TIP3 16401 -36.700 -15.008 34.634 1.00 0.00 WAT +ATOM 55512 H1 TIP3 16401 -37.343 -15.487 35.179 1.00 0.00 WAT +ATOM 55513 H2 TIP3 16401 -36.436 -15.694 33.991 1.00 0.00 WAT +ATOM 55514 OH2 TIP3 16402 -35.766 -17.000 32.840 1.00 0.00 WAT +ATOM 55515 H1 TIP3 16402 -35.797 -16.855 31.876 1.00 0.00 WAT +ATOM 55516 H2 TIP3 16402 -34.805 -17.000 33.006 1.00 0.00 WAT +ATOM 55517 OH2 TIP3 16403 -26.251 -14.462 32.198 1.00 0.00 WAT +ATOM 55518 H1 TIP3 16403 -26.334 -14.893 31.335 1.00 0.00 WAT +ATOM 55519 H2 TIP3 16403 -26.351 -13.518 31.948 1.00 0.00 WAT +ATOM 55520 OH2 TIP3 16404 -36.000 -5.766 33.931 1.00 0.00 WAT +ATOM 55521 H1 TIP3 16404 -35.048 -5.645 34.058 1.00 0.00 WAT +ATOM 55522 H2 TIP3 16404 -36.129 -5.316 33.087 1.00 0.00 WAT +ATOM 55523 OH2 TIP3 16405 -41.975 -10.815 32.948 1.00 0.00 WAT +ATOM 55524 H1 TIP3 16405 -41.249 -10.879 33.595 1.00 0.00 WAT +ATOM 55525 H2 TIP3 16405 -42.177 -11.743 32.754 1.00 0.00 WAT +ATOM 55526 OH2 TIP3 16406 -42.730 -7.990 40.180 1.00 0.00 WAT +ATOM 55527 H1 TIP3 16406 -42.732 -8.926 40.418 1.00 0.00 WAT +ATOM 55528 H2 TIP3 16406 -42.451 -7.601 41.025 1.00 0.00 WAT +ATOM 55529 OH2 TIP3 16407 -24.906 -6.707 42.721 1.00 0.00 WAT +ATOM 55530 H1 TIP3 16407 -25.123 -6.849 43.660 1.00 0.00 WAT +ATOM 55531 H2 TIP3 16407 -23.938 -6.750 42.759 1.00 0.00 WAT +ATOM 55532 OH2 TIP3 16408 -25.857 -13.089 36.136 1.00 0.00 WAT +ATOM 55533 H1 TIP3 16408 -24.950 -12.763 36.291 1.00 0.00 WAT +ATOM 55534 H2 TIP3 16408 -25.937 -13.723 36.871 1.00 0.00 WAT +ATOM 55535 OH2 TIP3 16409 -25.371 -15.149 38.143 1.00 0.00 WAT +ATOM 55536 H1 TIP3 16409 -26.027 -15.710 38.595 1.00 0.00 WAT +ATOM 55537 H2 TIP3 16409 -24.681 -15.026 38.827 1.00 0.00 WAT +ATOM 55538 OH2 TIP3 16410 -25.682 -12.810 43.282 1.00 0.00 WAT +ATOM 55539 H1 TIP3 16410 -25.047 -13.336 42.780 1.00 0.00 WAT +ATOM 55540 H2 TIP3 16410 -25.608 -11.936 42.878 1.00 0.00 WAT +ATOM 55541 OH2 TIP3 16411 -25.099 -15.683 34.673 1.00 0.00 WAT +ATOM 55542 H1 TIP3 16411 -25.618 -15.397 33.898 1.00 0.00 WAT +ATOM 55543 H2 TIP3 16411 -25.234 -14.934 35.274 1.00 0.00 WAT +ATOM 55544 OH2 TIP3 16412 -26.898 -18.112 32.954 1.00 0.00 WAT +ATOM 55545 H1 TIP3 16412 -26.613 -17.530 32.236 1.00 0.00 WAT +ATOM 55546 H2 TIP3 16412 -27.115 -18.941 32.483 1.00 0.00 WAT +ATOM 55547 OH2 TIP3 16413 -27.463 -17.035 39.055 1.00 0.00 WAT +ATOM 55548 H1 TIP3 16413 -27.552 -17.995 39.041 1.00 0.00 WAT +ATOM 55549 H2 TIP3 16413 -27.818 -16.813 39.934 1.00 0.00 WAT +ATOM 55550 OH2 TIP3 16414 -27.405 -20.763 32.170 1.00 0.00 WAT +ATOM 55551 H1 TIP3 16414 -26.794 -21.258 32.745 1.00 0.00 WAT +ATOM 55552 H2 TIP3 16414 -28.186 -21.332 32.120 1.00 0.00 WAT +ATOM 55553 OH2 TIP3 16415 -27.537 -20.367 36.680 1.00 0.00 WAT +ATOM 55554 H1 TIP3 16415 -27.283 -20.920 37.438 1.00 0.00 WAT +ATOM 55555 H2 TIP3 16415 -26.713 -19.931 36.419 1.00 0.00 WAT +ATOM 55556 OH2 TIP3 16416 -27.311 -18.829 42.274 1.00 0.00 WAT +ATOM 55557 H1 TIP3 16416 -26.347 -18.769 42.403 1.00 0.00 WAT +ATOM 55558 H2 TIP3 16416 -27.642 -18.781 43.188 1.00 0.00 WAT +ATOM 55559 OH2 TIP3 16417 -28.712 -26.553 36.552 1.00 0.00 WAT +ATOM 55560 H1 TIP3 16417 -28.290 -26.226 37.366 1.00 0.00 WAT +ATOM 55561 H2 TIP3 16417 -28.914 -25.712 36.125 1.00 0.00 WAT +ATOM 55562 OH2 TIP3 16418 -41.652 -20.796 41.936 1.00 0.00 WAT +ATOM 55563 H1 TIP3 16418 -41.744 -21.748 42.098 1.00 0.00 WAT +ATOM 55564 H2 TIP3 16418 -41.117 -20.544 42.695 1.00 0.00 WAT +ATOM 55565 OH2 TIP3 16419 -43.380 -18.241 43.170 1.00 0.00 WAT +ATOM 55566 H1 TIP3 16419 -43.109 -18.706 42.365 1.00 0.00 WAT +ATOM 55567 H2 TIP3 16419 -42.953 -17.383 43.058 1.00 0.00 WAT +ATOM 55568 OH2 TIP3 16420 -25.163 -21.818 33.731 1.00 0.00 WAT +ATOM 55569 H1 TIP3 16420 -24.825 -22.625 33.303 1.00 0.00 WAT +ATOM 55570 H2 TIP3 16420 -24.346 -21.300 33.837 1.00 0.00 WAT +ATOM 55571 OH2 TIP3 16421 -43.148 -22.278 36.479 1.00 0.00 WAT +ATOM 55572 H1 TIP3 16421 -44.000 -21.986 36.121 1.00 0.00 WAT +ATOM 55573 H2 TIP3 16421 -42.563 -21.571 36.118 1.00 0.00 WAT +ATOM 55574 OH2 TIP3 16422 -28.262 -6.836 39.073 1.00 0.00 WAT +ATOM 55575 H1 TIP3 16422 -27.843 -7.084 38.230 1.00 0.00 WAT +ATOM 55576 H2 TIP3 16422 -27.545 -6.352 39.496 1.00 0.00 WAT +ATOM 55577 OH2 TIP3 16423 -41.566 -7.849 42.672 1.00 0.00 WAT +ATOM 55578 H1 TIP3 16423 -41.309 -7.717 43.605 1.00 0.00 WAT +ATOM 55579 H2 TIP3 16423 -40.679 -7.848 42.274 1.00 0.00 WAT +ATOM 55580 OH2 TIP3 16424 -39.089 -8.633 41.151 1.00 0.00 WAT +ATOM 55581 H1 TIP3 16424 -39.208 -9.557 41.445 1.00 0.00 WAT +ATOM 55582 H2 TIP3 16424 -38.195 -8.434 41.492 1.00 0.00 WAT +ATOM 55583 OH2 TIP3 16425 -36.361 -8.167 42.123 1.00 0.00 WAT +ATOM 55584 H1 TIP3 16425 -36.076 -9.043 41.831 1.00 0.00 WAT +ATOM 55585 H2 TIP3 16425 -36.253 -8.246 43.079 1.00 0.00 WAT +ATOM 55586 OH2 TIP3 16426 -32.977 -22.188 41.313 1.00 0.00 WAT +ATOM 55587 H1 TIP3 16426 -33.606 -22.900 41.548 1.00 0.00 WAT +ATOM 55588 H2 TIP3 16426 -32.329 -22.670 40.771 1.00 0.00 WAT +ATOM 55589 OH2 TIP3 16427 -28.018 -24.377 41.574 1.00 0.00 WAT +ATOM 55590 H1 TIP3 16427 -27.247 -23.802 41.438 1.00 0.00 WAT +ATOM 55591 H2 TIP3 16427 -28.780 -23.870 41.258 1.00 0.00 WAT +ATOM 55592 OH2 TIP3 16428 -25.495 -23.105 39.952 1.00 0.00 WAT +ATOM 55593 H1 TIP3 16428 -25.070 -23.639 39.253 1.00 0.00 WAT +ATOM 55594 H2 TIP3 16428 -25.189 -22.205 39.729 1.00 0.00 WAT +ATOM 55595 OH2 TIP3 16429 -41.046 -23.692 38.843 1.00 0.00 WAT +ATOM 55596 H1 TIP3 16429 -41.795 -23.972 38.303 1.00 0.00 WAT +ATOM 55597 H2 TIP3 16429 -40.449 -24.457 38.761 1.00 0.00 WAT +ATOM 55598 OH2 TIP3 16430 -41.817 -24.073 34.667 1.00 0.00 WAT +ATOM 55599 H1 TIP3 16430 -41.324 -23.387 34.175 1.00 0.00 WAT +ATOM 55600 H2 TIP3 16430 -42.333 -23.521 35.285 1.00 0.00 WAT +ATOM 55601 OH2 TIP3 16431 -36.086 -23.872 38.858 1.00 0.00 WAT +ATOM 55602 H1 TIP3 16431 -35.226 -23.436 38.744 1.00 0.00 WAT +ATOM 55603 H2 TIP3 16431 -36.153 -23.918 39.820 1.00 0.00 WAT +ATOM 55604 OH2 TIP3 16432 -30.484 -23.682 40.089 1.00 0.00 WAT +ATOM 55605 H1 TIP3 16432 -30.312 -23.895 39.162 1.00 0.00 WAT +ATOM 55606 H2 TIP3 16432 -30.881 -24.507 40.412 1.00 0.00 WAT +ATOM 55607 OH2 TIP3 16433 -29.623 -23.937 35.995 1.00 0.00 WAT +ATOM 55608 H1 TIP3 16433 -30.177 -23.135 35.982 1.00 0.00 WAT +ATOM 55609 H2 TIP3 16433 -30.244 -24.578 36.375 1.00 0.00 WAT +ATOM 55610 OH2 TIP3 16434 -41.860 -8.070 35.722 1.00 0.00 WAT +ATOM 55611 H1 TIP3 16434 -42.499 -8.269 35.029 1.00 0.00 WAT +ATOM 55612 H2 TIP3 16434 -41.863 -7.103 35.723 1.00 0.00 WAT +ATOM 55613 OH2 TIP3 16435 -40.069 -22.215 33.200 1.00 0.00 WAT +ATOM 55614 H1 TIP3 16435 -39.465 -22.771 32.680 1.00 0.00 WAT +ATOM 55615 H2 TIP3 16435 -39.481 -21.899 33.910 1.00 0.00 WAT +ATOM 55616 OH2 TIP3 16436 -35.044 -22.202 35.799 1.00 0.00 WAT +ATOM 55617 H1 TIP3 16436 -34.637 -22.704 36.527 1.00 0.00 WAT +ATOM 55618 H2 TIP3 16436 -34.840 -21.300 36.091 1.00 0.00 WAT +ATOM 55619 OH2 TIP3 16437 -32.948 -6.259 34.043 1.00 0.00 WAT +ATOM 55620 H1 TIP3 16437 -31.973 -6.266 34.006 1.00 0.00 WAT +ATOM 55621 H2 TIP3 16437 -33.150 -6.932 33.372 1.00 0.00 WAT +ATOM 55622 OH2 TIP3 16438 -26.462 -7.245 36.641 1.00 0.00 WAT +ATOM 55623 H1 TIP3 16438 -26.684 -8.089 36.196 1.00 0.00 WAT +ATOM 55624 H2 TIP3 16438 -26.478 -6.629 35.892 1.00 0.00 WAT +ATOM 55625 OH2 TIP3 16439 -40.135 -7.028 32.715 1.00 0.00 WAT +ATOM 55626 H1 TIP3 16439 -40.397 -6.926 33.641 1.00 0.00 WAT +ATOM 55627 H2 TIP3 16439 -39.463 -7.731 32.767 1.00 0.00 WAT +ATOM 55628 OH2 TIP3 16440 -12.819 -14.832 39.236 1.00 0.00 WAT +ATOM 55629 H1 TIP3 16440 -12.759 -13.864 39.283 1.00 0.00 WAT +ATOM 55630 H2 TIP3 16440 -13.503 -14.951 38.559 1.00 0.00 WAT +ATOM 55631 OH2 TIP3 16441 -13.842 -15.430 42.467 1.00 0.00 WAT +ATOM 55632 H1 TIP3 16441 -13.910 -16.177 43.087 1.00 0.00 WAT +ATOM 55633 H2 TIP3 16441 -13.966 -15.865 41.613 1.00 0.00 WAT +ATOM 55634 OH2 TIP3 16442 -10.294 -12.667 40.374 1.00 0.00 WAT +ATOM 55635 H1 TIP3 16442 -10.689 -13.356 40.932 1.00 0.00 WAT +ATOM 55636 H2 TIP3 16442 -9.956 -12.081 41.086 1.00 0.00 WAT +ATOM 55637 OH2 TIP3 16443 -20.742 -11.213 42.457 1.00 0.00 WAT +ATOM 55638 H1 TIP3 16443 -20.996 -12.126 42.230 1.00 0.00 WAT +ATOM 55639 H2 TIP3 16443 -19.784 -11.357 42.584 1.00 0.00 WAT +ATOM 55640 OH2 TIP3 16444 -23.789 -17.729 37.774 1.00 0.00 WAT +ATOM 55641 H1 TIP3 16444 -24.191 -16.850 37.862 1.00 0.00 WAT +ATOM 55642 H2 TIP3 16444 -24.500 -18.231 37.358 1.00 0.00 WAT +ATOM 55643 OH2 TIP3 16445 -23.018 -15.366 39.751 1.00 0.00 WAT +ATOM 55644 H1 TIP3 16445 -22.804 -16.154 40.284 1.00 0.00 WAT +ATOM 55645 H2 TIP3 16445 -22.191 -15.236 39.271 1.00 0.00 WAT +ATOM 55646 OH2 TIP3 16446 -13.219 -7.268 41.138 1.00 0.00 WAT +ATOM 55647 H1 TIP3 16446 -12.602 -7.960 40.842 1.00 0.00 WAT +ATOM 55648 H2 TIP3 16446 -13.515 -7.587 42.005 1.00 0.00 WAT +ATOM 55649 OH2 TIP3 16447 -15.802 -13.138 42.776 1.00 0.00 WAT +ATOM 55650 H1 TIP3 16447 -15.373 -13.817 42.232 1.00 0.00 WAT +ATOM 55651 H2 TIP3 16447 -15.000 -12.785 43.213 1.00 0.00 WAT +ATOM 55652 OH2 TIP3 16448 -12.299 -18.399 43.228 1.00 0.00 WAT +ATOM 55653 H1 TIP3 16448 -11.912 -19.270 43.412 1.00 0.00 WAT +ATOM 55654 H2 TIP3 16448 -12.261 -18.351 42.254 1.00 0.00 WAT +ATOM 55655 OH2 TIP3 16449 -19.220 -20.526 40.429 1.00 0.00 WAT +ATOM 55656 H1 TIP3 16449 -19.032 -19.697 39.955 1.00 0.00 WAT +ATOM 55657 H2 TIP3 16449 -19.522 -21.080 39.682 1.00 0.00 WAT +ATOM 55658 OH2 TIP3 16450 -11.294 -20.307 38.706 1.00 0.00 WAT +ATOM 55659 H1 TIP3 16450 -10.744 -20.773 39.375 1.00 0.00 WAT +ATOM 55660 H2 TIP3 16450 -10.607 -19.902 38.157 1.00 0.00 WAT +ATOM 55661 OH2 TIP3 16451 -22.232 -17.868 40.996 1.00 0.00 WAT +ATOM 55662 H1 TIP3 16451 -21.797 -18.512 41.560 1.00 0.00 WAT +ATOM 55663 H2 TIP3 16451 -22.208 -18.328 40.136 1.00 0.00 WAT +ATOM 55664 OH2 TIP3 16452 -17.166 -16.459 40.562 1.00 0.00 WAT +ATOM 55665 H1 TIP3 16452 -16.413 -17.013 40.831 1.00 0.00 WAT +ATOM 55666 H2 TIP3 16452 -17.606 -17.041 39.912 1.00 0.00 WAT +ATOM 55667 OH2 TIP3 16453 -12.808 -11.927 37.906 1.00 0.00 WAT +ATOM 55668 H1 TIP3 16453 -13.176 -12.206 37.064 1.00 0.00 WAT +ATOM 55669 H2 TIP3 16453 -13.305 -11.111 38.096 1.00 0.00 WAT +ATOM 55670 OH2 TIP3 16454 -9.487 -21.148 40.718 1.00 0.00 WAT +ATOM 55671 H1 TIP3 16454 -9.829 -21.748 41.402 1.00 0.00 WAT +ATOM 55672 H2 TIP3 16454 -8.975 -20.545 41.287 1.00 0.00 WAT +ATOM 55673 OH2 TIP3 16455 -19.966 -19.625 42.984 1.00 0.00 WAT +ATOM 55674 H1 TIP3 16455 -20.108 -18.703 42.751 1.00 0.00 WAT +ATOM 55675 H2 TIP3 16455 -19.996 -20.087 42.123 1.00 0.00 WAT +ATOM 55676 OH2 TIP3 16456 -23.113 -12.260 36.269 1.00 0.00 WAT +ATOM 55677 H1 TIP3 16456 -23.290 -11.757 35.456 1.00 0.00 WAT +ATOM 55678 H2 TIP3 16456 -22.933 -11.561 36.933 1.00 0.00 WAT +ATOM 55679 OH2 TIP3 16457 -9.580 -11.315 42.584 1.00 0.00 WAT +ATOM 55680 H1 TIP3 16457 -10.175 -11.523 43.331 1.00 0.00 WAT +ATOM 55681 H2 TIP3 16457 -8.809 -10.966 43.038 1.00 0.00 WAT +ATOM 55682 OH2 TIP3 16458 -16.216 -24.168 41.779 1.00 0.00 WAT +ATOM 55683 H1 TIP3 16458 -16.263 -25.145 41.862 1.00 0.00 WAT +ATOM 55684 H2 TIP3 16458 -17.052 -23.914 42.219 1.00 0.00 WAT +ATOM 55685 OH2 TIP3 16459 -11.334 -8.879 39.688 1.00 0.00 WAT +ATOM 55686 H1 TIP3 16459 -10.878 -9.678 39.361 1.00 0.00 WAT +ATOM 55687 H2 TIP3 16459 -10.698 -8.177 39.451 1.00 0.00 WAT +ATOM 55688 OH2 TIP3 16460 -9.876 -11.014 38.190 1.00 0.00 WAT +ATOM 55689 H1 TIP3 16460 -10.443 -11.492 37.566 1.00 0.00 WAT +ATOM 55690 H2 TIP3 16460 -9.933 -11.623 38.957 1.00 0.00 WAT +ATOM 55691 OH2 TIP3 16461 -14.087 -15.256 36.437 1.00 0.00 WAT +ATOM 55692 H1 TIP3 16461 -14.762 -14.703 36.003 1.00 0.00 WAT +ATOM 55693 H2 TIP3 16461 -13.382 -15.270 35.767 1.00 0.00 WAT +ATOM 55694 OH2 TIP3 16462 -13.821 -17.096 33.483 1.00 0.00 WAT +ATOM 55695 H1 TIP3 16462 -13.103 -16.787 34.065 1.00 0.00 WAT +ATOM 55696 H2 TIP3 16462 -13.326 -17.677 32.885 1.00 0.00 WAT +ATOM 55697 OH2 TIP3 16463 -10.596 -15.274 37.497 1.00 0.00 WAT +ATOM 55698 H1 TIP3 16463 -11.258 -15.074 38.191 1.00 0.00 WAT +ATOM 55699 H2 TIP3 16463 -9.983 -15.851 37.990 1.00 0.00 WAT +ATOM 55700 OH2 TIP3 16464 -18.970 -14.477 39.245 1.00 0.00 WAT +ATOM 55701 H1 TIP3 16464 -19.337 -14.931 38.461 1.00 0.00 WAT +ATOM 55702 H2 TIP3 16464 -18.405 -15.163 39.635 1.00 0.00 WAT +ATOM 55703 OH2 TIP3 16465 -17.973 -11.302 41.554 1.00 0.00 WAT +ATOM 55704 H1 TIP3 16465 -17.747 -11.742 40.725 1.00 0.00 WAT +ATOM 55705 H2 TIP3 16465 -17.168 -11.414 42.078 1.00 0.00 WAT +ATOM 55706 OH2 TIP3 16466 -18.795 -15.612 42.697 1.00 0.00 WAT +ATOM 55707 H1 TIP3 16466 -18.121 -15.798 42.015 1.00 0.00 WAT +ATOM 55708 H2 TIP3 16466 -18.255 -15.443 43.478 1.00 0.00 WAT +ATOM 55709 OH2 TIP3 16467 -11.652 -15.811 34.939 1.00 0.00 WAT +ATOM 55710 H1 TIP3 16467 -11.158 -15.576 35.752 1.00 0.00 WAT +ATOM 55711 H2 TIP3 16467 -11.139 -15.316 34.254 1.00 0.00 WAT +ATOM 55712 OH2 TIP3 16468 -14.143 -9.230 38.515 1.00 0.00 WAT +ATOM 55713 H1 TIP3 16468 -13.731 -8.904 39.323 1.00 0.00 WAT +ATOM 55714 H2 TIP3 16468 -14.668 -8.470 38.220 1.00 0.00 WAT +ATOM 55715 OH2 TIP3 16469 -8.191 -24.111 34.452 1.00 0.00 WAT +ATOM 55716 H1 TIP3 16469 -9.072 -24.005 34.856 1.00 0.00 WAT +ATOM 55717 H2 TIP3 16469 -7.844 -23.205 34.490 1.00 0.00 WAT +ATOM 55718 OH2 TIP3 16470 -20.087 -15.746 36.833 1.00 0.00 WAT +ATOM 55719 H1 TIP3 16470 -20.282 -15.018 36.217 1.00 0.00 WAT +ATOM 55720 H2 TIP3 16470 -20.694 -16.434 36.528 1.00 0.00 WAT +ATOM 55721 OH2 TIP3 16471 -6.792 -9.920 33.025 1.00 0.00 WAT +ATOM 55722 H1 TIP3 16471 -6.573 -8.984 33.171 1.00 0.00 WAT +ATOM 55723 H2 TIP3 16471 -5.922 -10.349 33.130 1.00 0.00 WAT +ATOM 55724 OH2 TIP3 16472 -23.878 -10.335 42.368 1.00 0.00 WAT +ATOM 55725 H1 TIP3 16472 -22.914 -10.403 42.434 1.00 0.00 WAT +ATOM 55726 H2 TIP3 16472 -24.059 -9.531 42.870 1.00 0.00 WAT +ATOM 55727 OH2 TIP3 16473 -14.598 -6.524 36.996 1.00 0.00 WAT +ATOM 55728 H1 TIP3 16473 -14.640 -6.418 36.031 1.00 0.00 WAT +ATOM 55729 H2 TIP3 16473 -14.605 -5.608 37.317 1.00 0.00 WAT +ATOM 55730 OH2 TIP3 16474 -20.830 -7.383 38.627 1.00 0.00 WAT +ATOM 55731 H1 TIP3 16474 -20.679 -7.849 39.474 1.00 0.00 WAT +ATOM 55732 H2 TIP3 16474 -21.663 -7.780 38.337 1.00 0.00 WAT +ATOM 55733 OH2 TIP3 16475 -11.318 -7.094 34.181 1.00 0.00 WAT +ATOM 55734 H1 TIP3 16475 -10.764 -7.763 33.730 1.00 0.00 WAT +ATOM 55735 H2 TIP3 16475 -11.423 -7.489 35.070 1.00 0.00 WAT +ATOM 55736 OH2 TIP3 16476 -11.923 -7.694 36.988 1.00 0.00 WAT +ATOM 55737 H1 TIP3 16476 -12.874 -7.504 37.103 1.00 0.00 WAT +ATOM 55738 H2 TIP3 16476 -11.833 -8.433 37.613 1.00 0.00 WAT +ATOM 55739 OH2 TIP3 16477 -18.617 -23.240 42.895 1.00 0.00 WAT +ATOM 55740 H1 TIP3 16477 -19.445 -23.439 42.434 1.00 0.00 WAT +ATOM 55741 H2 TIP3 16477 -18.693 -22.292 43.082 1.00 0.00 WAT +ATOM 55742 OH2 TIP3 16478 -10.071 -14.715 32.962 1.00 0.00 WAT +ATOM 55743 H1 TIP3 16478 -10.301 -14.928 32.036 1.00 0.00 WAT +ATOM 55744 H2 TIP3 16478 -9.115 -14.542 32.870 1.00 0.00 WAT +ATOM 55745 OH2 TIP3 16479 -14.455 -20.985 33.456 1.00 0.00 WAT +ATOM 55746 H1 TIP3 16479 -14.934 -21.146 34.283 1.00 0.00 WAT +ATOM 55747 H2 TIP3 16479 -14.845 -21.670 32.887 1.00 0.00 WAT +ATOM 55748 OH2 TIP3 16480 -18.793 -18.185 38.832 1.00 0.00 WAT +ATOM 55749 H1 TIP3 16480 -19.747 -18.298 38.670 1.00 0.00 WAT +ATOM 55750 H2 TIP3 16480 -18.440 -18.433 37.952 1.00 0.00 WAT +ATOM 55751 OH2 TIP3 16481 -13.198 -17.633 37.646 1.00 0.00 WAT +ATOM 55752 H1 TIP3 16481 -13.618 -16.832 37.266 1.00 0.00 WAT +ATOM 55753 H2 TIP3 16481 -12.520 -17.828 36.976 1.00 0.00 WAT +ATOM 55754 OH2 TIP3 16482 -12.411 -18.238 40.422 1.00 0.00 WAT +ATOM 55755 H1 TIP3 16482 -12.689 -17.695 39.657 1.00 0.00 WAT +ATOM 55756 H2 TIP3 16482 -12.188 -19.066 39.948 1.00 0.00 WAT +ATOM 55757 OH2 TIP3 16483 -18.012 -20.502 32.358 1.00 0.00 WAT +ATOM 55758 H1 TIP3 16483 -18.361 -20.882 33.191 1.00 0.00 WAT +ATOM 55759 H2 TIP3 16483 -18.807 -20.424 31.819 1.00 0.00 WAT +ATOM 55760 OH2 TIP3 16484 -24.535 -20.609 39.404 1.00 0.00 WAT +ATOM 55761 H1 TIP3 16484 -23.988 -20.658 40.211 1.00 0.00 WAT +ATOM 55762 H2 TIP3 16484 -23.986 -21.031 38.723 1.00 0.00 WAT +ATOM 55763 OH2 TIP3 16485 -22.983 -20.238 35.118 1.00 0.00 WAT +ATOM 55764 H1 TIP3 16485 -22.424 -19.756 34.475 1.00 0.00 WAT +ATOM 55765 H2 TIP3 16485 -23.667 -19.571 35.304 1.00 0.00 WAT +ATOM 55766 OH2 TIP3 16486 -16.109 -20.547 39.858 1.00 0.00 WAT +ATOM 55767 H1 TIP3 16486 -17.041 -20.716 40.072 1.00 0.00 WAT +ATOM 55768 H2 TIP3 16486 -15.663 -20.881 40.654 1.00 0.00 WAT +ATOM 55769 OH2 TIP3 16487 -21.478 -19.384 38.537 1.00 0.00 WAT +ATOM 55770 H1 TIP3 16487 -22.293 -19.131 38.068 1.00 0.00 WAT +ATOM 55771 H2 TIP3 16487 -21.181 -20.182 38.059 1.00 0.00 WAT +ATOM 55772 OH2 TIP3 16488 -17.851 -19.038 36.232 1.00 0.00 WAT +ATOM 55773 H1 TIP3 16488 -16.878 -19.004 36.266 1.00 0.00 WAT +ATOM 55774 H2 TIP3 16488 -18.080 -18.466 35.480 1.00 0.00 WAT +ATOM 55775 OH2 TIP3 16489 -11.675 -21.824 42.725 1.00 0.00 WAT +ATOM 55776 H1 TIP3 16489 -12.035 -21.660 43.610 1.00 0.00 WAT +ATOM 55777 H2 TIP3 16489 -12.474 -21.926 42.185 1.00 0.00 WAT +ATOM 55778 OH2 TIP3 16490 -19.401 -17.795 33.990 1.00 0.00 WAT +ATOM 55779 H1 TIP3 16490 -19.983 -18.118 33.285 1.00 0.00 WAT +ATOM 55780 H2 TIP3 16490 -18.583 -17.623 33.492 1.00 0.00 WAT +ATOM 55781 OH2 TIP3 16491 -15.151 -18.194 41.935 1.00 0.00 WAT +ATOM 55782 H1 TIP3 16491 -14.470 -18.545 41.340 1.00 0.00 WAT +ATOM 55783 H2 TIP3 16491 -15.140 -18.862 42.637 1.00 0.00 WAT +ATOM 55784 OH2 TIP3 16492 -19.729 -21.657 37.847 1.00 0.00 WAT +ATOM 55785 H1 TIP3 16492 -20.317 -22.422 38.003 1.00 0.00 WAT +ATOM 55786 H2 TIP3 16492 -18.932 -22.083 37.502 1.00 0.00 WAT +ATOM 55787 OH2 TIP3 16493 -15.954 -13.205 35.819 1.00 0.00 WAT +ATOM 55788 H1 TIP3 16493 -16.692 -13.742 35.457 1.00 0.00 WAT +ATOM 55789 H2 TIP3 16493 -16.122 -13.229 36.784 1.00 0.00 WAT +ATOM 55790 OH2 TIP3 16494 -11.768 -20.419 33.609 1.00 0.00 WAT +ATOM 55791 H1 TIP3 16494 -12.750 -20.435 33.561 1.00 0.00 WAT +ATOM 55792 H2 TIP3 16494 -11.584 -19.675 34.214 1.00 0.00 WAT +ATOM 55793 OH2 TIP3 16495 -11.091 -18.566 35.664 1.00 0.00 WAT +ATOM 55794 H1 TIP3 16495 -10.209 -18.753 36.043 1.00 0.00 WAT +ATOM 55795 H2 TIP3 16495 -10.947 -17.721 35.205 1.00 0.00 WAT +ATOM 55796 OH2 TIP3 16496 -20.928 -14.123 41.748 1.00 0.00 WAT +ATOM 55797 H1 TIP3 16496 -20.350 -14.014 40.979 1.00 0.00 WAT +ATOM 55798 H2 TIP3 16496 -20.429 -14.810 42.234 1.00 0.00 WAT +ATOM 55799 OH2 TIP3 16497 -13.522 -11.866 34.741 1.00 0.00 WAT +ATOM 55800 H1 TIP3 16497 -13.795 -11.012 35.134 1.00 0.00 WAT +ATOM 55801 H2 TIP3 16497 -14.263 -12.438 35.009 1.00 0.00 WAT +ATOM 55802 OH2 TIP3 16498 -6.510 -18.606 35.399 1.00 0.00 WAT +ATOM 55803 H1 TIP3 16498 -7.043 -18.806 34.605 1.00 0.00 WAT +ATOM 55804 H2 TIP3 16498 -6.376 -17.649 35.248 1.00 0.00 WAT +ATOM 55805 OH2 TIP3 16499 -7.954 -9.980 35.610 1.00 0.00 WAT +ATOM 55806 H1 TIP3 16499 -8.503 -10.677 36.018 1.00 0.00 WAT +ATOM 55807 H2 TIP3 16499 -7.862 -10.323 34.702 1.00 0.00 WAT +ATOM 55808 OH2 TIP3 16500 -11.166 -14.479 42.472 1.00 0.00 WAT +ATOM 55809 H1 TIP3 16500 -12.064 -14.800 42.671 1.00 0.00 WAT +ATOM 55810 H2 TIP3 16500 -10.783 -15.247 42.004 1.00 0.00 WAT +ATOM 55811 OH2 TIP3 16501 -18.396 -10.584 38.688 1.00 0.00 WAT +ATOM 55812 H1 TIP3 16501 -17.999 -9.700 38.737 1.00 0.00 WAT +ATOM 55813 H2 TIP3 16501 -19.337 -10.374 38.645 1.00 0.00 WAT +ATOM 55814 OH2 TIP3 16502 -22.415 -15.759 33.496 1.00 0.00 WAT +ATOM 55815 H1 TIP3 16502 -21.834 -15.090 33.901 1.00 0.00 WAT +ATOM 55816 H2 TIP3 16502 -23.284 -15.510 33.865 1.00 0.00 WAT +ATOM 55817 OH2 TIP3 16503 -16.571 -12.855 38.637 1.00 0.00 WAT +ATOM 55818 H1 TIP3 16503 -16.942 -11.957 38.611 1.00 0.00 WAT +ATOM 55819 H2 TIP3 16503 -17.336 -13.374 38.932 1.00 0.00 WAT +ATOM 55820 OH2 TIP3 16504 -17.956 -7.642 38.123 1.00 0.00 WAT +ATOM 55821 H1 TIP3 16504 -18.915 -7.507 38.196 1.00 0.00 WAT +ATOM 55822 H2 TIP3 16504 -17.618 -6.764 38.388 1.00 0.00 WAT +ATOM 55823 OH2 TIP3 16505 -10.787 -11.500 33.404 1.00 0.00 WAT +ATOM 55824 H1 TIP3 16505 -10.422 -12.072 34.108 1.00 0.00 WAT +ATOM 55825 H2 TIP3 16505 -11.734 -11.662 33.567 1.00 0.00 WAT +ATOM 55826 OH2 TIP3 16506 -5.811 -7.455 34.164 1.00 0.00 WAT +ATOM 55827 H1 TIP3 16506 -5.090 -6.863 33.868 1.00 0.00 WAT +ATOM 55828 H2 TIP3 16506 -6.570 -6.864 33.995 1.00 0.00 WAT +ATOM 55829 OH2 TIP3 16507 -9.808 -12.887 35.753 1.00 0.00 WAT +ATOM 55830 H1 TIP3 16507 -10.145 -13.625 36.290 1.00 0.00 WAT +ATOM 55831 H2 TIP3 16507 -8.848 -12.978 35.874 1.00 0.00 WAT +ATOM 55832 OH2 TIP3 16508 -16.582 -10.505 31.947 1.00 0.00 WAT +ATOM 55833 H1 TIP3 16508 -16.316 -11.290 31.434 1.00 0.00 WAT +ATOM 55834 H2 TIP3 16508 -17.021 -10.918 32.711 1.00 0.00 WAT +ATOM 55835 OH2 TIP3 16509 -17.754 -10.991 34.648 1.00 0.00 WAT +ATOM 55836 H1 TIP3 16509 -17.249 -11.530 35.275 1.00 0.00 WAT +ATOM 55837 H2 TIP3 16509 -17.605 -10.083 34.986 1.00 0.00 WAT +ATOM 55838 OH2 TIP3 16510 -20.912 -13.551 35.036 1.00 0.00 WAT +ATOM 55839 H1 TIP3 16510 -21.632 -13.168 35.575 1.00 0.00 WAT +ATOM 55840 H2 TIP3 16510 -20.434 -12.748 34.767 1.00 0.00 WAT +ATOM 55841 OH2 TIP3 16511 -12.611 -21.633 36.327 1.00 0.00 WAT +ATOM 55842 H1 TIP3 16511 -12.411 -21.115 35.532 1.00 0.00 WAT +ATOM 55843 H2 TIP3 16511 -12.148 -21.133 37.020 1.00 0.00 WAT +ATOM 55844 OH2 TIP3 16512 -14.779 -9.347 35.290 1.00 0.00 WAT +ATOM 55845 H1 TIP3 16512 -15.617 -8.882 35.452 1.00 0.00 WAT +ATOM 55846 H2 TIP3 16512 -14.464 -8.913 34.485 1.00 0.00 WAT +ATOM 55847 OH2 TIP3 16513 -15.206 -19.630 37.270 1.00 0.00 WAT +ATOM 55848 H1 TIP3 16513 -14.426 -19.063 37.437 1.00 0.00 WAT +ATOM 55849 H2 TIP3 16513 -15.504 -19.831 38.178 1.00 0.00 WAT +ATOM 55850 OH2 TIP3 16514 -14.623 -22.639 38.189 1.00 0.00 WAT +ATOM 55851 H1 TIP3 16514 -14.760 -21.991 38.902 1.00 0.00 WAT +ATOM 55852 H2 TIP3 16514 -13.878 -22.233 37.702 1.00 0.00 WAT +ATOM 55853 OH2 TIP3 16515 -17.583 -8.292 35.281 1.00 0.00 WAT +ATOM 55854 H1 TIP3 16515 -17.665 -7.479 34.739 1.00 0.00 WAT +ATOM 55855 H2 TIP3 16515 -17.734 -7.951 36.182 1.00 0.00 WAT +ATOM 55856 OH2 TIP3 16516 -18.879 -21.618 34.731 1.00 0.00 WAT +ATOM 55857 H1 TIP3 16516 -18.865 -20.886 35.370 1.00 0.00 WAT +ATOM 55858 H2 TIP3 16516 -18.085 -22.119 35.005 1.00 0.00 WAT +ATOM 55859 OH2 TIP3 16517 -10.096 -16.849 41.383 1.00 0.00 WAT +ATOM 55860 H1 TIP3 16517 -10.887 -17.328 41.080 1.00 0.00 WAT +ATOM 55861 H2 TIP3 16517 -9.540 -17.592 41.719 1.00 0.00 WAT +ATOM 55862 OH2 TIP3 16518 -20.478 -10.741 33.804 1.00 0.00 WAT +ATOM 55863 H1 TIP3 16518 -19.734 -10.267 34.214 1.00 0.00 WAT +ATOM 55864 H2 TIP3 16518 -19.988 -11.246 33.136 1.00 0.00 WAT +ATOM 55865 OH2 TIP3 16519 -22.328 -18.559 32.940 1.00 0.00 WAT +ATOM 55866 H1 TIP3 16519 -22.207 -17.615 33.156 1.00 0.00 WAT +ATOM 55867 H2 TIP3 16519 -23.191 -18.561 32.511 1.00 0.00 WAT +ATOM 55868 OH2 TIP3 16520 -8.776 -6.878 42.794 1.00 0.00 WAT +ATOM 55869 H1 TIP3 16520 -9.593 -7.364 42.645 1.00 0.00 WAT +ATOM 55870 H2 TIP3 16520 -8.121 -7.544 43.019 1.00 0.00 WAT +ATOM 55871 OH2 TIP3 16521 -21.687 -23.121 41.792 1.00 0.00 WAT +ATOM 55872 H1 TIP3 16521 -21.627 -23.201 40.825 1.00 0.00 WAT +ATOM 55873 H2 TIP3 16521 -21.633 -24.077 41.994 1.00 0.00 WAT +ATOM 55874 OH2 TIP3 16522 -22.531 -10.056 37.985 1.00 0.00 WAT +ATOM 55875 H1 TIP3 16522 -23.290 -9.519 38.248 1.00 0.00 WAT +ATOM 55876 H2 TIP3 16522 -22.140 -9.514 37.283 1.00 0.00 WAT +ATOM 55877 OH2 TIP3 16523 -14.364 -8.818 32.462 1.00 0.00 WAT +ATOM 55878 H1 TIP3 16523 -15.129 -9.424 32.342 1.00 0.00 WAT +ATOM 55879 H2 TIP3 16523 -13.662 -9.353 32.057 1.00 0.00 WAT +ATOM 55880 OH2 TIP3 16524 -9.696 -8.874 32.638 1.00 0.00 WAT +ATOM 55881 H1 TIP3 16524 -9.683 -9.797 32.943 1.00 0.00 WAT +ATOM 55882 H2 TIP3 16524 -8.986 -8.860 31.967 1.00 0.00 WAT +ATOM 55883 OH2 TIP3 16525 -18.944 -13.063 32.273 1.00 0.00 WAT +ATOM 55884 H1 TIP3 16525 -18.785 -13.667 33.017 1.00 0.00 WAT +ATOM 55885 H2 TIP3 16525 -18.087 -13.118 31.808 1.00 0.00 WAT +ATOM 55886 OH2 TIP3 16526 -13.685 -11.745 31.895 1.00 0.00 WAT +ATOM 55887 H1 TIP3 16526 -13.766 -11.802 32.863 1.00 0.00 WAT +ATOM 55888 H2 TIP3 16526 -13.739 -12.699 31.668 1.00 0.00 WAT +ATOM 55889 OH2 TIP3 16527 -17.844 -14.992 34.631 1.00 0.00 WAT +ATOM 55890 H1 TIP3 16527 -18.465 -15.513 35.159 1.00 0.00 WAT +ATOM 55891 H2 TIP3 16527 -17.546 -15.661 33.979 1.00 0.00 WAT +ATOM 55892 OH2 TIP3 16528 -16.901 -16.957 32.879 1.00 0.00 WAT +ATOM 55893 H1 TIP3 16528 -16.949 -16.917 31.907 1.00 0.00 WAT +ATOM 55894 H2 TIP3 16528 -15.938 -17.020 33.022 1.00 0.00 WAT +ATOM 55895 OH2 TIP3 16529 -7.406 -14.452 32.198 1.00 0.00 WAT +ATOM 55896 H1 TIP3 16529 -7.441 -14.929 31.352 1.00 0.00 WAT +ATOM 55897 H2 TIP3 16529 -7.498 -13.525 31.890 1.00 0.00 WAT +ATOM 55898 OH2 TIP3 16530 -17.143 -5.736 33.972 1.00 0.00 WAT +ATOM 55899 H1 TIP3 16530 -16.186 -5.632 34.075 1.00 0.00 WAT +ATOM 55900 H2 TIP3 16530 -17.283 -5.316 33.114 1.00 0.00 WAT +ATOM 55901 OH2 TIP3 16531 -23.228 -11.342 33.497 1.00 0.00 WAT +ATOM 55902 H1 TIP3 16531 -22.274 -11.157 33.634 1.00 0.00 WAT +ATOM 55903 H2 TIP3 16531 -23.202 -12.137 32.927 1.00 0.00 WAT +ATOM 55904 OH2 TIP3 16532 -24.192 -6.178 38.209 1.00 0.00 WAT +ATOM 55905 H1 TIP3 16532 -24.944 -6.535 37.698 1.00 0.00 WAT +ATOM 55906 H2 TIP3 16532 -24.125 -6.832 38.934 1.00 0.00 WAT +ATOM 55907 OH2 TIP3 16533 -23.832 -8.161 40.190 1.00 0.00 WAT +ATOM 55908 H1 TIP3 16533 -24.099 -9.045 40.483 1.00 0.00 WAT +ATOM 55909 H2 TIP3 16533 -23.569 -7.790 41.051 1.00 0.00 WAT +ATOM 55910 OH2 TIP3 16534 -5.933 -6.609 42.702 1.00 0.00 WAT +ATOM 55911 H1 TIP3 16534 -6.231 -6.823 43.600 1.00 0.00 WAT +ATOM 55912 H2 TIP3 16534 -4.983 -6.791 42.775 1.00 0.00 WAT +ATOM 55913 OH2 TIP3 16535 -6.899 -13.053 36.144 1.00 0.00 WAT +ATOM 55914 H1 TIP3 16535 -5.990 -12.798 36.388 1.00 0.00 WAT +ATOM 55915 H2 TIP3 16535 -7.077 -13.713 36.837 1.00 0.00 WAT +ATOM 55916 OH2 TIP3 16536 -6.518 -15.099 38.133 1.00 0.00 WAT +ATOM 55917 H1 TIP3 16536 -7.201 -15.671 38.530 1.00 0.00 WAT +ATOM 55918 H2 TIP3 16536 -5.838 -15.048 38.835 1.00 0.00 WAT +ATOM 55919 OH2 TIP3 16537 -6.833 -12.786 43.266 1.00 0.00 WAT +ATOM 55920 H1 TIP3 16537 -6.196 -13.362 42.817 1.00 0.00 WAT +ATOM 55921 H2 TIP3 16537 -6.678 -11.928 42.855 1.00 0.00 WAT +ATOM 55922 OH2 TIP3 16538 -6.317 -15.697 34.702 1.00 0.00 WAT +ATOM 55923 H1 TIP3 16538 -6.810 -15.428 33.904 1.00 0.00 WAT +ATOM 55924 H2 TIP3 16538 -6.410 -14.911 35.258 1.00 0.00 WAT +ATOM 55925 OH2 TIP3 16539 -8.035 -18.099 32.945 1.00 0.00 WAT +ATOM 55926 H1 TIP3 16539 -7.731 -17.549 32.208 1.00 0.00 WAT +ATOM 55927 H2 TIP3 16539 -8.264 -18.938 32.496 1.00 0.00 WAT +ATOM 55928 OH2 TIP3 16540 -8.647 -16.980 38.914 1.00 0.00 WAT +ATOM 55929 H1 TIP3 16540 -8.671 -17.940 38.758 1.00 0.00 WAT +ATOM 55930 H2 TIP3 16540 -8.990 -16.906 39.824 1.00 0.00 WAT +ATOM 55931 OH2 TIP3 16541 -23.774 -15.117 42.626 1.00 0.00 WAT +ATOM 55932 H1 TIP3 16541 -23.404 -14.850 41.768 1.00 0.00 WAT +ATOM 55933 H2 TIP3 16541 -22.976 -15.154 43.182 1.00 0.00 WAT +ATOM 55934 OH2 TIP3 16542 -8.569 -20.755 32.193 1.00 0.00 WAT +ATOM 55935 H1 TIP3 16542 -7.965 -21.284 32.741 1.00 0.00 WAT +ATOM 55936 H2 TIP3 16542 -9.346 -21.323 32.088 1.00 0.00 WAT +ATOM 55937 OH2 TIP3 16543 -8.734 -19.496 37.112 1.00 0.00 WAT +ATOM 55938 H1 TIP3 16543 -8.503 -20.449 37.158 1.00 0.00 WAT +ATOM 55939 H2 TIP3 16543 -7.934 -19.147 36.680 1.00 0.00 WAT +ATOM 55940 OH2 TIP3 16544 -8.537 -18.844 42.201 1.00 0.00 WAT +ATOM 55941 H1 TIP3 16544 -7.578 -18.866 42.358 1.00 0.00 WAT +ATOM 55942 H2 TIP3 16544 -8.897 -18.999 43.092 1.00 0.00 WAT +ATOM 55943 OH2 TIP3 16545 -8.278 -22.285 37.071 1.00 0.00 WAT +ATOM 55944 H1 TIP3 16545 -8.169 -22.622 37.978 1.00 0.00 WAT +ATOM 55945 H2 TIP3 16545 -9.068 -22.785 36.777 1.00 0.00 WAT +ATOM 55946 OH2 TIP3 16546 -23.105 -20.848 41.968 1.00 0.00 WAT +ATOM 55947 H1 TIP3 16546 -22.848 -21.798 41.959 1.00 0.00 WAT +ATOM 55948 H2 TIP3 16546 -22.430 -20.536 42.580 1.00 0.00 WAT +ATOM 55949 OH2 TIP3 16547 -24.650 -18.108 43.025 1.00 0.00 WAT +ATOM 55950 H1 TIP3 16547 -24.179 -18.534 42.288 1.00 0.00 WAT +ATOM 55951 H2 TIP3 16547 -24.319 -17.191 42.957 1.00 0.00 WAT +ATOM 55952 OH2 TIP3 16548 -6.302 -21.820 33.750 1.00 0.00 WAT +ATOM 55953 H1 TIP3 16548 -5.991 -22.613 33.281 1.00 0.00 WAT +ATOM 55954 H2 TIP3 16548 -5.490 -21.291 33.810 1.00 0.00 WAT +ATOM 55955 OH2 TIP3 16549 -24.077 -22.021 36.918 1.00 0.00 WAT +ATOM 55956 H1 TIP3 16549 -24.980 -21.945 36.595 1.00 0.00 WAT +ATOM 55957 H2 TIP3 16549 -23.574 -21.476 36.280 1.00 0.00 WAT +ATOM 55958 OH2 TIP3 16550 -9.452 -6.820 39.070 1.00 0.00 WAT +ATOM 55959 H1 TIP3 16550 -8.968 -7.104 38.285 1.00 0.00 WAT +ATOM 55960 H2 TIP3 16550 -8.780 -6.337 39.573 1.00 0.00 WAT +ATOM 55961 OH2 TIP3 16551 -22.400 -7.784 42.622 1.00 0.00 WAT +ATOM 55962 H1 TIP3 16551 -22.039 -7.754 43.534 1.00 0.00 WAT +ATOM 55963 H2 TIP3 16551 -21.570 -7.976 42.138 1.00 0.00 WAT +ATOM 55964 OH2 TIP3 16552 -20.187 -8.661 41.158 1.00 0.00 WAT +ATOM 55965 H1 TIP3 16552 -20.301 -9.598 41.419 1.00 0.00 WAT +ATOM 55966 H2 TIP3 16552 -19.273 -8.488 41.465 1.00 0.00 WAT +ATOM 55967 OH2 TIP3 16553 -17.501 -8.180 42.126 1.00 0.00 WAT +ATOM 55968 H1 TIP3 16553 -17.204 -9.057 41.842 1.00 0.00 WAT +ATOM 55969 H2 TIP3 16553 -17.385 -8.248 43.081 1.00 0.00 WAT +ATOM 55970 OH2 TIP3 16554 -14.143 -22.189 41.286 1.00 0.00 WAT +ATOM 55971 H1 TIP3 16554 -14.755 -22.906 41.553 1.00 0.00 WAT +ATOM 55972 H2 TIP3 16554 -13.495 -22.682 40.749 1.00 0.00 WAT +ATOM 55973 OH2 TIP3 16555 -9.317 -24.115 41.354 1.00 0.00 WAT +ATOM 55974 H1 TIP3 16555 -8.658 -23.547 40.919 1.00 0.00 WAT +ATOM 55975 H2 TIP3 16555 -10.153 -23.848 40.925 1.00 0.00 WAT +ATOM 55976 OH2 TIP3 16556 -7.075 -23.120 39.639 1.00 0.00 WAT +ATOM 55977 H1 TIP3 16556 -6.365 -23.535 39.117 1.00 0.00 WAT +ATOM 55978 H2 TIP3 16556 -6.751 -22.203 39.733 1.00 0.00 WAT +ATOM 55979 OH2 TIP3 16557 -21.721 -23.471 38.728 1.00 0.00 WAT +ATOM 55980 H1 TIP3 16557 -22.609 -23.733 38.412 1.00 0.00 WAT +ATOM 55981 H2 TIP3 16557 -21.377 -24.320 39.047 1.00 0.00 WAT +ATOM 55982 OH2 TIP3 16558 -23.021 -24.045 34.719 1.00 0.00 WAT +ATOM 55983 H1 TIP3 16558 -22.443 -23.405 34.263 1.00 0.00 WAT +ATOM 55984 H2 TIP3 16558 -23.321 -23.542 35.492 1.00 0.00 WAT +ATOM 55985 OH2 TIP3 16559 -17.275 -23.709 38.907 1.00 0.00 WAT +ATOM 55986 H1 TIP3 16559 -16.345 -23.475 38.750 1.00 0.00 WAT +ATOM 55987 H2 TIP3 16559 -17.262 -23.910 39.853 1.00 0.00 WAT +ATOM 55988 OH2 TIP3 16560 -11.799 -23.658 40.026 1.00 0.00 WAT +ATOM 55989 H1 TIP3 16560 -11.511 -23.941 39.148 1.00 0.00 WAT +ATOM 55990 H2 TIP3 16560 -12.131 -24.492 40.408 1.00 0.00 WAT +ATOM 55991 OH2 TIP3 16561 -10.589 -23.682 36.158 1.00 0.00 WAT +ATOM 55992 H1 TIP3 16561 -11.418 -23.185 36.025 1.00 0.00 WAT +ATOM 55993 H2 TIP3 16561 -10.932 -24.581 36.308 1.00 0.00 WAT +ATOM 55994 OH2 TIP3 16562 -22.758 -8.111 35.928 1.00 0.00 WAT +ATOM 55995 H1 TIP3 16562 -23.400 -8.228 35.212 1.00 0.00 WAT +ATOM 55996 H2 TIP3 16562 -22.785 -7.149 36.031 1.00 0.00 WAT +ATOM 55997 OH2 TIP3 16563 -21.229 -22.238 33.207 1.00 0.00 WAT +ATOM 55998 H1 TIP3 16563 -20.631 -22.813 32.700 1.00 0.00 WAT +ATOM 55999 H2 TIP3 16563 -20.626 -21.915 33.905 1.00 0.00 WAT +ATOM 56000 OH2 TIP3 16564 -16.140 -22.061 35.825 1.00 0.00 WAT +ATOM 56001 H1 TIP3 16564 -15.791 -22.636 36.526 1.00 0.00 WAT +ATOM 56002 H2 TIP3 16564 -15.946 -21.192 36.211 1.00 0.00 WAT +ATOM 56003 OH2 TIP3 16565 -14.096 -6.264 34.041 1.00 0.00 WAT +ATOM 56004 H1 TIP3 16565 -13.123 -6.256 33.993 1.00 0.00 WAT +ATOM 56005 H2 TIP3 16565 -14.298 -6.936 33.370 1.00 0.00 WAT +ATOM 56006 OH2 TIP3 16566 -7.533 -7.344 36.562 1.00 0.00 WAT +ATOM 56007 H1 TIP3 16566 -8.049 -8.080 36.164 1.00 0.00 WAT +ATOM 56008 H2 TIP3 16566 -7.745 -6.605 35.954 1.00 0.00 WAT +ATOM 56009 OH2 TIP3 16567 -21.325 -7.146 32.729 1.00 0.00 WAT +ATOM 56010 H1 TIP3 16567 -21.565 -6.894 33.632 1.00 0.00 WAT +ATOM 56011 H2 TIP3 16567 -20.564 -7.734 32.869 1.00 0.00 WAT +ATOM 56012 OH2 TIP3 16568 6.159 -14.784 39.162 1.00 0.00 WAT +ATOM 56013 H1 TIP3 16568 6.105 -13.825 39.286 1.00 0.00 WAT +ATOM 56014 H2 TIP3 16568 5.325 -14.975 38.715 1.00 0.00 WAT +ATOM 56015 OH2 TIP3 16569 8.567 -12.688 40.391 1.00 0.00 WAT +ATOM 56016 H1 TIP3 16569 8.112 -13.362 40.914 1.00 0.00 WAT +ATOM 56017 H2 TIP3 16569 8.906 -12.121 41.119 1.00 0.00 WAT +ATOM 56018 OH2 TIP3 16570 -1.884 -11.217 42.424 1.00 0.00 WAT +ATOM 56019 H1 TIP3 16570 -2.109 -12.146 42.229 1.00 0.00 WAT +ATOM 56020 H2 TIP3 16570 -0.928 -11.338 42.590 1.00 0.00 WAT +ATOM 56021 OH2 TIP3 16571 -4.931 -17.723 37.787 1.00 0.00 WAT +ATOM 56022 H1 TIP3 16571 -5.353 -16.853 37.848 1.00 0.00 WAT +ATOM 56023 H2 TIP3 16571 -5.623 -18.252 37.371 1.00 0.00 WAT +ATOM 56024 OH2 TIP3 16572 -4.149 -15.354 39.747 1.00 0.00 WAT +ATOM 56025 H1 TIP3 16572 -3.964 -16.154 40.272 1.00 0.00 WAT +ATOM 56026 H2 TIP3 16572 -3.316 -15.253 39.270 1.00 0.00 WAT +ATOM 56027 OH2 TIP3 16573 5.620 -7.264 41.151 1.00 0.00 WAT +ATOM 56028 H1 TIP3 16573 6.236 -7.942 40.822 1.00 0.00 WAT +ATOM 56029 H2 TIP3 16573 5.361 -7.609 42.020 1.00 0.00 WAT +ATOM 56030 OH2 TIP3 16574 3.076 -13.073 42.657 1.00 0.00 WAT +ATOM 56031 H1 TIP3 16574 3.387 -13.937 42.308 1.00 0.00 WAT +ATOM 56032 H2 TIP3 16574 3.897 -12.835 43.129 1.00 0.00 WAT +ATOM 56033 OH2 TIP3 16575 7.130 -18.429 43.243 1.00 0.00 WAT +ATOM 56034 H1 TIP3 16575 6.944 -19.368 43.332 1.00 0.00 WAT +ATOM 56035 H2 TIP3 16575 6.562 -18.175 42.492 1.00 0.00 WAT +ATOM 56036 OH2 TIP3 16576 -0.397 -20.525 40.442 1.00 0.00 WAT +ATOM 56037 H1 TIP3 16576 -0.167 -19.695 39.984 1.00 0.00 WAT +ATOM 56038 H2 TIP3 16576 -0.679 -21.056 39.670 1.00 0.00 WAT +ATOM 56039 OH2 TIP3 16577 7.549 -20.398 38.638 1.00 0.00 WAT +ATOM 56040 H1 TIP3 16577 8.088 -20.754 39.379 1.00 0.00 WAT +ATOM 56041 H2 TIP3 16577 8.200 -19.837 38.196 1.00 0.00 WAT +ATOM 56042 OH2 TIP3 16578 -3.414 -17.883 41.001 1.00 0.00 WAT +ATOM 56043 H1 TIP3 16578 -2.901 -18.483 41.548 1.00 0.00 WAT +ATOM 56044 H2 TIP3 16578 -3.360 -18.330 40.135 1.00 0.00 WAT +ATOM 56045 OH2 TIP3 16579 1.709 -16.532 40.565 1.00 0.00 WAT +ATOM 56046 H1 TIP3 16579 2.603 -16.840 40.799 1.00 0.00 WAT +ATOM 56047 H2 TIP3 16579 1.379 -17.233 39.973 1.00 0.00 WAT +ATOM 56048 OH2 TIP3 16580 6.048 -11.910 37.913 1.00 0.00 WAT +ATOM 56049 H1 TIP3 16580 5.685 -12.223 37.081 1.00 0.00 WAT +ATOM 56050 H2 TIP3 16580 5.531 -11.106 38.092 1.00 0.00 WAT +ATOM 56051 OH2 TIP3 16581 9.379 -21.134 40.712 1.00 0.00 WAT +ATOM 56052 H1 TIP3 16581 9.144 -21.785 41.393 1.00 0.00 WAT +ATOM 56053 H2 TIP3 16581 9.843 -20.486 41.276 1.00 0.00 WAT +ATOM 56054 OH2 TIP3 16582 -1.155 -19.627 42.964 1.00 0.00 WAT +ATOM 56055 H1 TIP3 16582 -1.200 -18.691 42.745 1.00 0.00 WAT +ATOM 56056 H2 TIP3 16582 -1.103 -20.064 42.088 1.00 0.00 WAT +ATOM 56057 OH2 TIP3 16583 -4.222 -12.065 36.438 1.00 0.00 WAT +ATOM 56058 H1 TIP3 16583 -4.348 -11.758 35.522 1.00 0.00 WAT +ATOM 56059 H2 TIP3 16583 -3.976 -11.282 36.938 1.00 0.00 WAT +ATOM 56060 OH2 TIP3 16584 9.299 -11.374 42.601 1.00 0.00 WAT +ATOM 56061 H1 TIP3 16584 8.673 -11.500 43.341 1.00 0.00 WAT +ATOM 56062 H2 TIP3 16584 9.988 -10.851 43.018 1.00 0.00 WAT +ATOM 56063 OH2 TIP3 16585 2.595 -24.170 41.759 1.00 0.00 WAT +ATOM 56064 H1 TIP3 16585 2.565 -25.137 41.818 1.00 0.00 WAT +ATOM 56065 H2 TIP3 16585 1.782 -23.914 42.234 1.00 0.00 WAT +ATOM 56066 OH2 TIP3 16586 7.512 -8.860 39.648 1.00 0.00 WAT +ATOM 56067 H1 TIP3 16586 7.965 -9.677 39.355 1.00 0.00 WAT +ATOM 56068 H2 TIP3 16586 8.188 -8.187 39.442 1.00 0.00 WAT +ATOM 56069 OH2 TIP3 16587 8.966 -11.018 38.223 1.00 0.00 WAT +ATOM 56070 H1 TIP3 16587 8.425 -11.481 37.567 1.00 0.00 WAT +ATOM 56071 H2 TIP3 16587 8.905 -11.650 38.971 1.00 0.00 WAT +ATOM 56072 OH2 TIP3 16588 4.733 -15.281 36.396 1.00 0.00 WAT +ATOM 56073 H1 TIP3 16588 4.095 -14.688 35.963 1.00 0.00 WAT +ATOM 56074 H2 TIP3 16588 5.483 -15.258 35.779 1.00 0.00 WAT +ATOM 56075 OH2 TIP3 16589 5.036 -17.101 33.467 1.00 0.00 WAT +ATOM 56076 H1 TIP3 16589 5.732 -16.792 34.075 1.00 0.00 WAT +ATOM 56077 H2 TIP3 16589 5.552 -17.673 32.881 1.00 0.00 WAT +ATOM 56078 OH2 TIP3 16590 8.267 -15.295 37.489 1.00 0.00 WAT +ATOM 56079 H1 TIP3 16590 7.585 -15.068 38.166 1.00 0.00 WAT +ATOM 56080 H2 TIP3 16590 8.856 -15.858 38.021 1.00 0.00 WAT +ATOM 56081 OH2 TIP3 16591 -0.083 -14.548 39.286 1.00 0.00 WAT +ATOM 56082 H1 TIP3 16591 -0.428 -15.002 38.493 1.00 0.00 WAT +ATOM 56083 H2 TIP3 16591 0.522 -15.217 39.654 1.00 0.00 WAT +ATOM 56084 OH2 TIP3 16592 0.927 -11.326 41.548 1.00 0.00 WAT +ATOM 56085 H1 TIP3 16592 1.145 -11.796 40.734 1.00 0.00 WAT +ATOM 56086 H2 TIP3 16592 1.714 -11.501 42.086 1.00 0.00 WAT +ATOM 56087 OH2 TIP3 16593 0.117 -15.567 42.677 1.00 0.00 WAT +ATOM 56088 H1 TIP3 16593 0.802 -15.774 42.006 1.00 0.00 WAT +ATOM 56089 H2 TIP3 16593 0.639 -15.517 43.487 1.00 0.00 WAT +ATOM 56090 OH2 TIP3 16594 7.216 -15.833 34.949 1.00 0.00 WAT +ATOM 56091 H1 TIP3 16594 7.686 -15.566 35.768 1.00 0.00 WAT +ATOM 56092 H2 TIP3 16594 7.720 -15.322 34.269 1.00 0.00 WAT +ATOM 56093 OH2 TIP3 16595 4.657 -9.235 38.523 1.00 0.00 WAT +ATOM 56094 H1 TIP3 16595 5.167 -8.940 39.287 1.00 0.00 WAT +ATOM 56095 H2 TIP3 16595 4.187 -8.434 38.247 1.00 0.00 WAT +ATOM 56096 OH2 TIP3 16596 10.667 -24.115 34.452 1.00 0.00 WAT +ATOM 56097 H1 TIP3 16596 9.787 -24.009 34.859 1.00 0.00 WAT +ATOM 56098 H2 TIP3 16596 11.013 -23.209 34.496 1.00 0.00 WAT +ATOM 56099 OH2 TIP3 16597 -1.252 -15.759 36.844 1.00 0.00 WAT +ATOM 56100 H1 TIP3 16597 -1.403 -15.042 36.208 1.00 0.00 WAT +ATOM 56101 H2 TIP3 16597 -1.841 -16.449 36.511 1.00 0.00 WAT +ATOM 56102 OH2 TIP3 16598 12.043 -9.966 32.976 1.00 0.00 WAT +ATOM 56103 H1 TIP3 16598 12.200 -9.033 33.221 1.00 0.00 WAT +ATOM 56104 H2 TIP3 16598 12.909 -10.372 33.178 1.00 0.00 WAT +ATOM 56105 OH2 TIP3 16599 -5.022 -10.286 42.270 1.00 0.00 WAT +ATOM 56106 H1 TIP3 16599 -4.083 -10.433 42.464 1.00 0.00 WAT +ATOM 56107 H2 TIP3 16599 -5.248 -9.587 42.896 1.00 0.00 WAT +ATOM 56108 OH2 TIP3 16600 4.158 -6.519 36.990 1.00 0.00 WAT +ATOM 56109 H1 TIP3 16600 4.247 -6.429 36.025 1.00 0.00 WAT +ATOM 56110 H2 TIP3 16600 4.267 -5.608 37.306 1.00 0.00 WAT +ATOM 56111 OH2 TIP3 16601 -2.326 -7.822 38.454 1.00 0.00 WAT +ATOM 56112 H1 TIP3 16601 -1.898 -8.077 39.291 1.00 0.00 WAT +ATOM 56113 H2 TIP3 16601 -3.256 -7.982 38.673 1.00 0.00 WAT +ATOM 56114 OH2 TIP3 16602 7.524 -7.103 34.184 1.00 0.00 WAT +ATOM 56115 H1 TIP3 16602 8.101 -7.751 33.734 1.00 0.00 WAT +ATOM 56116 H2 TIP3 16602 7.471 -7.487 35.082 1.00 0.00 WAT +ATOM 56117 OH2 TIP3 16603 6.914 -7.667 36.990 1.00 0.00 WAT +ATOM 56118 H1 TIP3 16603 5.960 -7.557 37.140 1.00 0.00 WAT +ATOM 56119 H2 TIP3 16603 7.095 -8.411 37.590 1.00 0.00 WAT +ATOM 56120 OH2 TIP3 16604 0.155 -23.279 42.924 1.00 0.00 WAT +ATOM 56121 H1 TIP3 16604 -0.668 -23.309 42.406 1.00 0.00 WAT +ATOM 56122 H2 TIP3 16604 0.284 -22.324 43.084 1.00 0.00 WAT +ATOM 56123 OH2 TIP3 16605 8.781 -14.761 32.954 1.00 0.00 WAT +ATOM 56124 H1 TIP3 16605 8.569 -14.933 32.016 1.00 0.00 WAT +ATOM 56125 H2 TIP3 16605 9.721 -14.517 32.889 1.00 0.00 WAT +ATOM 56126 OH2 TIP3 16606 4.416 -20.997 33.453 1.00 0.00 WAT +ATOM 56127 H1 TIP3 16606 3.922 -21.119 34.276 1.00 0.00 WAT +ATOM 56128 H2 TIP3 16606 3.997 -21.668 32.887 1.00 0.00 WAT +ATOM 56129 OH2 TIP3 16607 0.053 -18.226 38.866 1.00 0.00 WAT +ATOM 56130 H1 TIP3 16607 -0.899 -18.305 38.672 1.00 0.00 WAT +ATOM 56131 H2 TIP3 16607 0.428 -18.410 37.982 1.00 0.00 WAT +ATOM 56132 OH2 TIP3 16608 5.622 -17.665 37.587 1.00 0.00 WAT +ATOM 56133 H1 TIP3 16608 5.245 -16.818 37.272 1.00 0.00 WAT +ATOM 56134 H2 TIP3 16608 6.341 -17.803 36.951 1.00 0.00 WAT +ATOM 56135 OH2 TIP3 16609 6.445 -18.233 40.505 1.00 0.00 WAT +ATOM 56136 H1 TIP3 16609 5.995 -17.628 39.894 1.00 0.00 WAT +ATOM 56137 H2 TIP3 16609 6.477 -19.047 39.980 1.00 0.00 WAT +ATOM 56138 OH2 TIP3 16610 0.840 -20.507 32.361 1.00 0.00 WAT +ATOM 56139 H1 TIP3 16610 0.474 -20.894 33.181 1.00 0.00 WAT +ATOM 56140 H2 TIP3 16610 0.053 -20.413 31.808 1.00 0.00 WAT +ATOM 56141 OH2 TIP3 16611 -5.693 -20.637 39.440 1.00 0.00 WAT +ATOM 56142 H1 TIP3 16611 -5.103 -20.690 40.213 1.00 0.00 WAT +ATOM 56143 H2 TIP3 16611 -5.177 -21.047 38.729 1.00 0.00 WAT +ATOM 56144 OH2 TIP3 16612 -4.115 -20.230 35.151 1.00 0.00 WAT +ATOM 56145 H1 TIP3 16612 -3.578 -19.757 34.480 1.00 0.00 WAT +ATOM 56146 H2 TIP3 16612 -4.822 -19.581 35.306 1.00 0.00 WAT +ATOM 56147 OH2 TIP3 16613 2.721 -20.530 39.870 1.00 0.00 WAT +ATOM 56148 H1 TIP3 16613 1.820 -20.697 40.182 1.00 0.00 WAT +ATOM 56149 H2 TIP3 16613 3.255 -20.778 40.647 1.00 0.00 WAT +ATOM 56150 OH2 TIP3 16614 -2.645 -19.387 38.545 1.00 0.00 WAT +ATOM 56151 H1 TIP3 16614 -3.447 -19.118 38.063 1.00 0.00 WAT +ATOM 56152 H2 TIP3 16614 -2.333 -20.165 38.045 1.00 0.00 WAT +ATOM 56153 OH2 TIP3 16615 1.007 -19.060 36.219 1.00 0.00 WAT +ATOM 56154 H1 TIP3 16615 1.978 -19.003 36.283 1.00 0.00 WAT +ATOM 56155 H2 TIP3 16615 0.786 -18.468 35.481 1.00 0.00 WAT +ATOM 56156 OH2 TIP3 16616 7.166 -21.984 42.836 1.00 0.00 WAT +ATOM 56157 H1 TIP3 16616 6.799 -21.696 43.686 1.00 0.00 WAT +ATOM 56158 H2 TIP3 16616 6.428 -21.857 42.224 1.00 0.00 WAT +ATOM 56159 OH2 TIP3 16617 -0.546 -17.797 33.997 1.00 0.00 WAT +ATOM 56160 H1 TIP3 16617 -1.130 -18.122 33.294 1.00 0.00 WAT +ATOM 56161 H2 TIP3 16617 0.265 -17.615 33.490 1.00 0.00 WAT +ATOM 56162 OH2 TIP3 16618 -0.866 -21.654 37.878 1.00 0.00 WAT +ATOM 56163 H1 TIP3 16618 -1.404 -22.454 37.990 1.00 0.00 WAT +ATOM 56164 H2 TIP3 16618 -0.071 -21.997 37.447 1.00 0.00 WAT +ATOM 56165 OH2 TIP3 16619 2.892 -13.188 35.807 1.00 0.00 WAT +ATOM 56166 H1 TIP3 16619 2.159 -13.745 35.469 1.00 0.00 WAT +ATOM 56167 H2 TIP3 16619 2.752 -13.213 36.780 1.00 0.00 WAT +ATOM 56168 OH2 TIP3 16620 7.100 -20.402 33.569 1.00 0.00 WAT +ATOM 56169 H1 TIP3 16620 6.117 -20.429 33.558 1.00 0.00 WAT +ATOM 56170 H2 TIP3 16620 7.297 -19.691 34.215 1.00 0.00 WAT +ATOM 56171 OH2 TIP3 16621 7.783 -18.590 35.606 1.00 0.00 WAT +ATOM 56172 H1 TIP3 16621 8.644 -18.747 36.042 1.00 0.00 WAT +ATOM 56173 H2 TIP3 16621 7.897 -17.698 35.229 1.00 0.00 WAT +ATOM 56174 OH2 TIP3 16622 -2.052 -14.102 41.737 1.00 0.00 WAT +ATOM 56175 H1 TIP3 16622 -1.459 -14.020 40.974 1.00 0.00 WAT +ATOM 56176 H2 TIP3 16622 -1.558 -14.778 42.243 1.00 0.00 WAT +ATOM 56177 OH2 TIP3 16623 5.329 -11.868 34.719 1.00 0.00 WAT +ATOM 56178 H1 TIP3 16623 5.086 -11.019 35.136 1.00 0.00 WAT +ATOM 56179 H2 TIP3 16623 4.593 -12.434 35.008 1.00 0.00 WAT +ATOM 56180 OH2 TIP3 16624 12.370 -18.610 35.377 1.00 0.00 WAT +ATOM 56181 H1 TIP3 16624 11.798 -18.781 34.602 1.00 0.00 WAT +ATOM 56182 H2 TIP3 16624 12.490 -17.647 35.261 1.00 0.00 WAT +ATOM 56183 OH2 TIP3 16625 10.561 -9.974 35.479 1.00 0.00 WAT +ATOM 56184 H1 TIP3 16625 10.337 -10.743 36.023 1.00 0.00 WAT +ATOM 56185 H2 TIP3 16625 11.108 -10.356 34.778 1.00 0.00 WAT +ATOM 56186 OH2 TIP3 16626 7.387 -14.594 42.592 1.00 0.00 WAT +ATOM 56187 H1 TIP3 16626 6.494 -14.992 42.686 1.00 0.00 WAT +ATOM 56188 H2 TIP3 16626 7.829 -15.286 42.075 1.00 0.00 WAT +ATOM 56189 OH2 TIP3 16627 0.428 -10.583 38.691 1.00 0.00 WAT +ATOM 56190 H1 TIP3 16627 0.919 -9.752 38.774 1.00 0.00 WAT +ATOM 56191 H2 TIP3 16627 -0.472 -10.265 38.580 1.00 0.00 WAT +ATOM 56192 OH2 TIP3 16628 -3.558 -15.771 33.517 1.00 0.00 WAT +ATOM 56193 H1 TIP3 16628 -2.974 -15.093 33.903 1.00 0.00 WAT +ATOM 56194 H2 TIP3 16628 -4.435 -15.466 33.809 1.00 0.00 WAT +ATOM 56195 OH2 TIP3 16629 2.282 -12.856 38.567 1.00 0.00 WAT +ATOM 56196 H1 TIP3 16629 1.903 -11.963 38.606 1.00 0.00 WAT +ATOM 56197 H2 TIP3 16629 1.574 -13.393 38.955 1.00 0.00 WAT +ATOM 56198 OH2 TIP3 16630 0.895 -7.647 38.167 1.00 0.00 WAT +ATOM 56199 H1 TIP3 16630 -0.055 -7.508 38.111 1.00 0.00 WAT +ATOM 56200 H2 TIP3 16630 1.227 -6.757 38.404 1.00 0.00 WAT +ATOM 56201 OH2 TIP3 16631 8.026 -11.547 33.367 1.00 0.00 WAT +ATOM 56202 H1 TIP3 16631 8.447 -12.016 34.112 1.00 0.00 WAT +ATOM 56203 H2 TIP3 16631 7.096 -11.699 33.607 1.00 0.00 WAT +ATOM 56204 OH2 TIP3 16632 12.763 -7.297 33.907 1.00 0.00 WAT +ATOM 56205 H1 TIP3 16632 13.459 -6.653 33.691 1.00 0.00 WAT +ATOM 56206 H2 TIP3 16632 11.991 -6.701 33.894 1.00 0.00 WAT +ATOM 56207 OH2 TIP3 16633 8.989 -12.941 35.742 1.00 0.00 WAT +ATOM 56208 H1 TIP3 16633 8.707 -13.656 36.340 1.00 0.00 WAT +ATOM 56209 H2 TIP3 16633 9.956 -12.971 35.843 1.00 0.00 WAT +ATOM 56210 OH2 TIP3 16634 2.259 -10.498 31.948 1.00 0.00 WAT +ATOM 56211 H1 TIP3 16634 2.550 -11.263 31.419 1.00 0.00 WAT +ATOM 56212 H2 TIP3 16634 1.844 -10.940 32.706 1.00 0.00 WAT +ATOM 56213 OH2 TIP3 16635 1.057 -11.007 34.702 1.00 0.00 WAT +ATOM 56214 H1 TIP3 16635 1.636 -11.549 35.262 1.00 0.00 WAT +ATOM 56215 H2 TIP3 16635 1.263 -10.098 35.004 1.00 0.00 WAT +ATOM 56216 OH2 TIP3 16636 -2.109 -13.531 35.025 1.00 0.00 WAT +ATOM 56217 H1 TIP3 16636 -2.725 -13.125 35.654 1.00 0.00 WAT +ATOM 56218 H2 TIP3 16636 -1.567 -12.771 34.753 1.00 0.00 WAT +ATOM 56219 OH2 TIP3 16637 6.279 -21.647 36.338 1.00 0.00 WAT +ATOM 56220 H1 TIP3 16637 6.444 -21.084 35.567 1.00 0.00 WAT +ATOM 56221 H2 TIP3 16637 6.700 -21.135 37.055 1.00 0.00 WAT +ATOM 56222 OH2 TIP3 16638 4.062 -9.348 35.292 1.00 0.00 WAT +ATOM 56223 H1 TIP3 16638 3.243 -8.851 35.435 1.00 0.00 WAT +ATOM 56224 H2 TIP3 16638 4.424 -8.918 34.504 1.00 0.00 WAT +ATOM 56225 OH2 TIP3 16639 3.659 -19.641 37.274 1.00 0.00 WAT +ATOM 56226 H1 TIP3 16639 4.426 -19.046 37.422 1.00 0.00 WAT +ATOM 56227 H2 TIP3 16639 3.373 -19.818 38.191 1.00 0.00 WAT +ATOM 56228 OH2 TIP3 16640 4.214 -22.634 38.180 1.00 0.00 WAT +ATOM 56229 H1 TIP3 16640 4.122 -22.020 38.931 1.00 0.00 WAT +ATOM 56230 H2 TIP3 16640 4.982 -22.239 37.720 1.00 0.00 WAT +ATOM 56231 OH2 TIP3 16641 1.220 -8.283 35.282 1.00 0.00 WAT +ATOM 56232 H1 TIP3 16641 1.194 -7.471 34.733 1.00 0.00 WAT +ATOM 56233 H2 TIP3 16641 1.171 -7.927 36.185 1.00 0.00 WAT +ATOM 56234 OH2 TIP3 16642 -0.020 -21.630 34.756 1.00 0.00 WAT +ATOM 56235 H1 TIP3 16642 0.008 -20.854 35.341 1.00 0.00 WAT +ATOM 56236 H2 TIP3 16642 0.801 -22.092 35.021 1.00 0.00 WAT +ATOM 56237 OH2 TIP3 16643 8.779 -16.901 41.272 1.00 0.00 WAT +ATOM 56238 H1 TIP3 16643 7.895 -17.297 41.123 1.00 0.00 WAT +ATOM 56239 H2 TIP3 16643 9.226 -17.660 41.700 1.00 0.00 WAT +ATOM 56240 OH2 TIP3 16644 -1.641 -10.741 33.850 1.00 0.00 WAT +ATOM 56241 H1 TIP3 16644 -0.855 -10.298 34.222 1.00 0.00 WAT +ATOM 56242 H2 TIP3 16644 -1.197 -11.231 33.138 1.00 0.00 WAT +ATOM 56243 OH2 TIP3 16645 -3.485 -18.576 32.970 1.00 0.00 WAT +ATOM 56244 H1 TIP3 16645 -3.367 -17.628 33.170 1.00 0.00 WAT +ATOM 56245 H2 TIP3 16645 -4.304 -18.579 32.458 1.00 0.00 WAT +ATOM 56246 OH2 TIP3 16646 10.070 -7.016 43.127 1.00 0.00 WAT +ATOM 56247 H1 TIP3 16646 9.423 -7.246 42.454 1.00 0.00 WAT +ATOM 56248 H2 TIP3 16646 10.884 -7.449 42.849 1.00 0.00 WAT +ATOM 56249 OH2 TIP3 16647 -2.613 -23.544 41.716 1.00 0.00 WAT +ATOM 56250 H1 TIP3 16647 -2.733 -23.511 40.743 1.00 0.00 WAT +ATOM 56251 H2 TIP3 16647 -2.919 -24.432 41.936 1.00 0.00 WAT +ATOM 56252 OH2 TIP3 16648 4.487 -8.814 32.459 1.00 0.00 WAT +ATOM 56253 H1 TIP3 16648 3.739 -9.438 32.330 1.00 0.00 WAT +ATOM 56254 H2 TIP3 16648 5.209 -9.336 32.069 1.00 0.00 WAT +ATOM 56255 OH2 TIP3 16649 9.118 -8.888 32.555 1.00 0.00 WAT +ATOM 56256 H1 TIP3 16649 9.257 -9.707 33.059 1.00 0.00 WAT +ATOM 56257 H2 TIP3 16649 9.909 -8.865 31.986 1.00 0.00 WAT +ATOM 56258 OH2 TIP3 16650 -0.096 -13.061 32.294 1.00 0.00 WAT +ATOM 56259 H1 TIP3 16650 0.090 -13.684 33.016 1.00 0.00 WAT +ATOM 56260 H2 TIP3 16650 0.747 -13.104 31.800 1.00 0.00 WAT +ATOM 56261 OH2 TIP3 16651 5.130 -11.749 31.893 1.00 0.00 WAT +ATOM 56262 H1 TIP3 16651 5.115 -11.802 32.865 1.00 0.00 WAT +ATOM 56263 H2 TIP3 16651 5.099 -12.704 31.671 1.00 0.00 WAT +ATOM 56264 OH2 TIP3 16652 0.981 -14.987 34.620 1.00 0.00 WAT +ATOM 56265 H1 TIP3 16652 0.413 -15.543 35.170 1.00 0.00 WAT +ATOM 56266 H2 TIP3 16652 1.306 -15.644 33.968 1.00 0.00 WAT +ATOM 56267 OH2 TIP3 16653 1.953 -16.954 32.879 1.00 0.00 WAT +ATOM 56268 H1 TIP3 16653 1.897 -16.918 31.906 1.00 0.00 WAT +ATOM 56269 H2 TIP3 16653 2.918 -17.014 33.015 1.00 0.00 WAT +ATOM 56270 OH2 TIP3 16654 11.472 -14.458 32.191 1.00 0.00 WAT +ATOM 56271 H1 TIP3 16654 11.357 -14.883 31.328 1.00 0.00 WAT +ATOM 56272 H2 TIP3 16654 11.349 -13.514 31.949 1.00 0.00 WAT +ATOM 56273 OH2 TIP3 16655 1.708 -5.738 33.962 1.00 0.00 WAT +ATOM 56274 H1 TIP3 16655 2.664 -5.645 34.089 1.00 0.00 WAT +ATOM 56275 H2 TIP3 16655 1.603 -5.300 33.107 1.00 0.00 WAT +ATOM 56276 OH2 TIP3 16656 -4.372 -11.327 33.610 1.00 0.00 WAT +ATOM 56277 H1 TIP3 16656 -3.400 -11.177 33.631 1.00 0.00 WAT +ATOM 56278 H2 TIP3 16656 -4.431 -12.105 33.015 1.00 0.00 WAT +ATOM 56279 OH2 TIP3 16657 -5.272 -6.422 38.060 1.00 0.00 WAT +ATOM 56280 H1 TIP3 16657 -6.212 -6.404 37.818 1.00 0.00 WAT +ATOM 56281 H2 TIP3 16657 -5.297 -6.799 38.963 1.00 0.00 WAT +ATOM 56282 OH2 TIP3 16658 -4.889 -8.275 40.123 1.00 0.00 WAT +ATOM 56283 H1 TIP3 16658 -5.193 -9.121 40.499 1.00 0.00 WAT +ATOM 56284 H2 TIP3 16658 -4.634 -7.842 40.959 1.00 0.00 WAT +ATOM 56285 OH2 TIP3 16659 12.837 -6.666 42.734 1.00 0.00 WAT +ATOM 56286 H1 TIP3 16659 12.618 -6.851 43.663 1.00 0.00 WAT +ATOM 56287 H2 TIP3 16659 13.803 -6.754 42.759 1.00 0.00 WAT +ATOM 56288 OH2 TIP3 16660 11.856 -13.088 36.132 1.00 0.00 WAT +ATOM 56289 H1 TIP3 16660 12.764 -12.772 36.301 1.00 0.00 WAT +ATOM 56290 H2 TIP3 16660 11.760 -13.725 36.862 1.00 0.00 WAT +ATOM 56291 OH2 TIP3 16661 12.350 -15.151 38.122 1.00 0.00 WAT +ATOM 56292 H1 TIP3 16661 11.646 -15.686 38.541 1.00 0.00 WAT +ATOM 56293 H2 TIP3 16661 12.999 -15.040 38.845 1.00 0.00 WAT +ATOM 56294 OH2 TIP3 16662 12.077 -12.787 43.307 1.00 0.00 WAT +ATOM 56295 H1 TIP3 16662 12.652 -13.324 42.751 1.00 0.00 WAT +ATOM 56296 H2 TIP3 16662 12.096 -11.927 42.869 1.00 0.00 WAT +ATOM 56297 OH2 TIP3 16663 12.581 -15.683 34.679 1.00 0.00 WAT +ATOM 56298 H1 TIP3 16663 12.059 -15.397 33.907 1.00 0.00 WAT +ATOM 56299 H2 TIP3 16663 12.438 -14.940 35.285 1.00 0.00 WAT +ATOM 56300 OH2 TIP3 16664 10.849 -18.127 32.949 1.00 0.00 WAT +ATOM 56301 H1 TIP3 16664 11.093 -17.531 32.228 1.00 0.00 WAT +ATOM 56302 H2 TIP3 16664 10.598 -18.943 32.474 1.00 0.00 WAT +ATOM 56303 OH2 TIP3 16665 10.263 -16.997 38.927 1.00 0.00 WAT +ATOM 56304 H1 TIP3 16665 10.168 -17.949 38.765 1.00 0.00 WAT +ATOM 56305 H2 TIP3 16665 9.834 -16.900 39.804 1.00 0.00 WAT +ATOM 56306 OH2 TIP3 16666 -4.919 -15.052 42.629 1.00 0.00 WAT +ATOM 56307 H1 TIP3 16666 -4.522 -14.850 41.766 1.00 0.00 WAT +ATOM 56308 H2 TIP3 16666 -4.132 -15.156 43.193 1.00 0.00 WAT +ATOM 56309 OH2 TIP3 16667 10.319 -20.787 32.139 1.00 0.00 WAT +ATOM 56310 H1 TIP3 16667 10.880 -21.278 32.765 1.00 0.00 WAT +ATOM 56311 H2 TIP3 16667 9.502 -21.306 32.099 1.00 0.00 WAT +ATOM 56312 OH2 TIP3 16668 10.121 -19.491 37.094 1.00 0.00 WAT +ATOM 56313 H1 TIP3 16668 10.348 -20.442 37.157 1.00 0.00 WAT +ATOM 56314 H2 TIP3 16668 10.933 -19.140 36.689 1.00 0.00 WAT +ATOM 56315 OH2 TIP3 16669 10.321 -18.931 42.236 1.00 0.00 WAT +ATOM 56316 H1 TIP3 16669 11.258 -18.792 42.443 1.00 0.00 WAT +ATOM 56317 H2 TIP3 16669 9.862 -18.866 43.091 1.00 0.00 WAT +ATOM 56318 OH2 TIP3 16670 10.600 -22.303 37.059 1.00 0.00 WAT +ATOM 56319 H1 TIP3 16670 10.675 -22.600 37.984 1.00 0.00 WAT +ATOM 56320 H2 TIP3 16670 9.790 -22.774 36.775 1.00 0.00 WAT +ATOM 56321 OH2 TIP3 16671 -4.172 -20.983 41.934 1.00 0.00 WAT +ATOM 56322 H1 TIP3 16671 -3.851 -21.895 42.030 1.00 0.00 WAT +ATOM 56323 H2 TIP3 16671 -3.586 -20.527 42.548 1.00 0.00 WAT +ATOM 56324 OH2 TIP3 16672 -5.782 -18.120 43.016 1.00 0.00 WAT +ATOM 56325 H1 TIP3 16672 -5.331 -18.504 42.246 1.00 0.00 WAT +ATOM 56326 H2 TIP3 16672 -5.476 -17.196 42.971 1.00 0.00 WAT +ATOM 56327 OH2 TIP3 16673 12.548 -21.819 33.742 1.00 0.00 WAT +ATOM 56328 H1 TIP3 16673 12.875 -22.614 33.288 1.00 0.00 WAT +ATOM 56329 H2 TIP3 16673 13.356 -21.288 33.834 1.00 0.00 WAT +ATOM 56330 OH2 TIP3 16674 -5.197 -22.093 36.933 1.00 0.00 WAT +ATOM 56331 H1 TIP3 16674 -6.143 -22.035 36.716 1.00 0.00 WAT +ATOM 56332 H2 TIP3 16674 -4.784 -21.487 36.287 1.00 0.00 WAT +ATOM 56333 OH2 TIP3 16675 9.449 -6.827 39.080 1.00 0.00 WAT +ATOM 56334 H1 TIP3 16675 9.857 -7.079 38.232 1.00 0.00 WAT +ATOM 56335 H2 TIP3 16675 10.177 -6.351 39.493 1.00 0.00 WAT +ATOM 56336 OH2 TIP3 16676 -3.508 -7.764 42.592 1.00 0.00 WAT +ATOM 56337 H1 TIP3 16676 -3.171 -7.743 43.514 1.00 0.00 WAT +ATOM 56338 H2 TIP3 16676 -2.673 -7.990 42.131 1.00 0.00 WAT +ATOM 56339 OH2 TIP3 16677 -1.326 -8.661 41.125 1.00 0.00 WAT +ATOM 56340 H1 TIP3 16677 -1.421 -9.591 41.420 1.00 0.00 WAT +ATOM 56341 H2 TIP3 16677 -0.414 -8.467 41.435 1.00 0.00 WAT +ATOM 56342 OH2 TIP3 16678 1.311 -8.208 42.137 1.00 0.00 WAT +ATOM 56343 H1 TIP3 16678 1.661 -9.057 41.825 1.00 0.00 WAT +ATOM 56344 H2 TIP3 16678 1.492 -8.282 43.082 1.00 0.00 WAT +ATOM 56345 OH2 TIP3 16679 4.692 -22.199 41.229 1.00 0.00 WAT +ATOM 56346 H1 TIP3 16679 4.108 -22.923 41.525 1.00 0.00 WAT +ATOM 56347 H2 TIP3 16679 5.405 -22.686 40.777 1.00 0.00 WAT +ATOM 56348 OH2 TIP3 16680 9.801 -24.092 41.492 1.00 0.00 WAT +ATOM 56349 H1 TIP3 16680 10.468 -23.610 40.968 1.00 0.00 WAT +ATOM 56350 H2 TIP3 16680 8.961 -23.815 41.094 1.00 0.00 WAT +ATOM 56351 OH2 TIP3 16681 11.773 -23.121 39.613 1.00 0.00 WAT +ATOM 56352 H1 TIP3 16681 12.503 -23.524 39.112 1.00 0.00 WAT +ATOM 56353 H2 TIP3 16681 12.083 -22.204 39.739 1.00 0.00 WAT +ATOM 56354 OH2 TIP3 16682 -2.921 -23.567 38.906 1.00 0.00 WAT +ATOM 56355 H1 TIP3 16682 -3.766 -23.695 38.432 1.00 0.00 WAT +ATOM 56356 H2 TIP3 16682 -2.473 -24.413 38.726 1.00 0.00 WAT +ATOM 56357 OH2 TIP3 16683 -4.072 -24.079 34.782 1.00 0.00 WAT +ATOM 56358 H1 TIP3 16683 -3.574 -23.421 34.258 1.00 0.00 WAT +ATOM 56359 H2 TIP3 16683 -4.506 -23.520 35.446 1.00 0.00 WAT +ATOM 56360 OH2 TIP3 16684 1.603 -23.812 38.918 1.00 0.00 WAT +ATOM 56361 H1 TIP3 16684 2.469 -23.423 38.710 1.00 0.00 WAT +ATOM 56362 H2 TIP3 16684 1.664 -23.890 39.881 1.00 0.00 WAT +ATOM 56363 OH2 TIP3 16685 7.093 -23.658 40.069 1.00 0.00 WAT +ATOM 56364 H1 TIP3 16685 7.421 -23.899 39.194 1.00 0.00 WAT +ATOM 56365 H2 TIP3 16685 6.804 -24.512 40.426 1.00 0.00 WAT +ATOM 56366 OH2 TIP3 16686 8.277 -23.692 36.145 1.00 0.00 WAT +ATOM 56367 H1 TIP3 16686 7.465 -23.155 36.058 1.00 0.00 WAT +ATOM 56368 H2 TIP3 16686 7.904 -24.581 36.274 1.00 0.00 WAT +ATOM 56369 OH2 TIP3 16687 -2.390 -22.281 33.238 1.00 0.00 WAT +ATOM 56370 H1 TIP3 16687 -1.775 -22.787 32.681 1.00 0.00 WAT +ATOM 56371 H2 TIP3 16687 -1.780 -21.923 33.911 1.00 0.00 WAT +ATOM 56372 OH2 TIP3 16688 2.694 -22.069 35.850 1.00 0.00 WAT +ATOM 56373 H1 TIP3 16688 3.105 -22.611 36.544 1.00 0.00 WAT +ATOM 56374 H2 TIP3 16688 2.909 -21.186 36.193 1.00 0.00 WAT +ATOM 56375 OH2 TIP3 16689 4.756 -6.277 34.059 1.00 0.00 WAT +ATOM 56376 H1 TIP3 16689 5.730 -6.257 34.006 1.00 0.00 WAT +ATOM 56377 H2 TIP3 16689 4.565 -6.934 33.368 1.00 0.00 WAT +ATOM 56378 OH2 TIP3 16690 11.237 -7.243 36.644 1.00 0.00 WAT +ATOM 56379 H1 TIP3 16690 11.031 -8.093 36.203 1.00 0.00 WAT +ATOM 56380 H2 TIP3 16690 11.254 -6.639 35.885 1.00 0.00 WAT +ATOM 56381 OH2 TIP3 16691 -2.560 -7.233 32.817 1.00 0.00 WAT +ATOM 56382 H1 TIP3 16691 -2.608 -6.790 33.675 1.00 0.00 WAT +ATOM 56383 H2 TIP3 16691 -1.719 -7.721 32.866 1.00 0.00 WAT +ATOM 56384 OH2 TIP3 16692 24.870 -14.843 39.246 1.00 0.00 WAT +ATOM 56385 H1 TIP3 16692 24.960 -13.876 39.299 1.00 0.00 WAT +ATOM 56386 H2 TIP3 16692 24.206 -14.930 38.547 1.00 0.00 WAT +ATOM 56387 OH2 TIP3 16693 23.844 -15.442 42.471 1.00 0.00 WAT +ATOM 56388 H1 TIP3 16693 23.806 -16.213 43.059 1.00 0.00 WAT +ATOM 56389 H2 TIP3 16693 23.766 -15.840 41.594 1.00 0.00 WAT +ATOM 56390 OH2 TIP3 16694 27.409 -12.685 40.381 1.00 0.00 WAT +ATOM 56391 H1 TIP3 16694 27.018 -13.346 40.973 1.00 0.00 WAT +ATOM 56392 H2 TIP3 16694 27.773 -12.085 41.071 1.00 0.00 WAT +ATOM 56393 OH2 TIP3 16695 16.974 -11.208 42.472 1.00 0.00 WAT +ATOM 56394 H1 TIP3 16695 16.720 -12.119 42.239 1.00 0.00 WAT +ATOM 56395 H2 TIP3 16695 17.937 -11.345 42.565 1.00 0.00 WAT +ATOM 56396 OH2 TIP3 16696 13.944 -17.711 37.778 1.00 0.00 WAT +ATOM 56397 H1 TIP3 16696 13.513 -16.844 37.868 1.00 0.00 WAT +ATOM 56398 H2 TIP3 16696 13.228 -18.242 37.410 1.00 0.00 WAT +ATOM 56399 OH2 TIP3 16697 14.703 -15.350 39.767 1.00 0.00 WAT +ATOM 56400 H1 TIP3 16697 14.908 -16.142 40.296 1.00 0.00 WAT +ATOM 56401 H2 TIP3 16697 15.515 -15.245 39.257 1.00 0.00 WAT +ATOM 56402 OH2 TIP3 16698 24.468 -7.275 41.126 1.00 0.00 WAT +ATOM 56403 H1 TIP3 16698 25.102 -7.949 40.825 1.00 0.00 WAT +ATOM 56404 H2 TIP3 16698 24.222 -7.583 42.012 1.00 0.00 WAT +ATOM 56405 OH2 TIP3 16699 21.900 -13.161 42.796 1.00 0.00 WAT +ATOM 56406 H1 TIP3 16699 22.332 -13.824 42.234 1.00 0.00 WAT +ATOM 56407 H2 TIP3 16699 22.709 -12.786 43.204 1.00 0.00 WAT +ATOM 56408 OH2 TIP3 16700 25.367 -18.419 43.223 1.00 0.00 WAT +ATOM 56409 H1 TIP3 16700 25.823 -19.256 43.407 1.00 0.00 WAT +ATOM 56410 H2 TIP3 16700 25.463 -18.332 42.257 1.00 0.00 WAT +ATOM 56411 OH2 TIP3 16701 18.503 -20.532 40.428 1.00 0.00 WAT +ATOM 56412 H1 TIP3 16701 18.675 -19.688 39.973 1.00 0.00 WAT +ATOM 56413 H2 TIP3 16701 18.185 -21.061 39.668 1.00 0.00 WAT +ATOM 56414 OH2 TIP3 16702 26.415 -20.319 38.704 1.00 0.00 WAT +ATOM 56415 H1 TIP3 16702 26.980 -20.757 39.381 1.00 0.00 WAT +ATOM 56416 H2 TIP3 16702 27.092 -19.901 38.151 1.00 0.00 WAT +ATOM 56417 OH2 TIP3 16703 15.507 -17.869 40.995 1.00 0.00 WAT +ATOM 56418 H1 TIP3 16703 15.919 -18.540 41.542 1.00 0.00 WAT +ATOM 56419 H2 TIP3 16703 15.490 -18.314 40.128 1.00 0.00 WAT +ATOM 56420 OH2 TIP3 16704 20.532 -16.461 40.570 1.00 0.00 WAT +ATOM 56421 H1 TIP3 16704 21.296 -17.005 40.832 1.00 0.00 WAT +ATOM 56422 H2 TIP3 16704 20.103 -17.041 39.912 1.00 0.00 WAT +ATOM 56423 OH2 TIP3 16705 24.844 -11.982 37.932 1.00 0.00 WAT +ATOM 56424 H1 TIP3 16705 24.564 -12.175 37.034 1.00 0.00 WAT +ATOM 56425 H2 TIP3 16705 24.412 -11.127 38.109 1.00 0.00 WAT +ATOM 56426 OH2 TIP3 16706 28.201 -21.115 40.717 1.00 0.00 WAT +ATOM 56427 H1 TIP3 16706 27.974 -21.789 41.378 1.00 0.00 WAT +ATOM 56428 H2 TIP3 16706 28.716 -20.512 41.285 1.00 0.00 WAT +ATOM 56429 OH2 TIP3 16707 17.716 -19.631 42.971 1.00 0.00 WAT +ATOM 56430 H1 TIP3 16707 17.590 -18.699 42.763 1.00 0.00 WAT +ATOM 56431 H2 TIP3 16707 17.721 -20.064 42.094 1.00 0.00 WAT +ATOM 56432 OH2 TIP3 16708 14.620 -12.262 36.267 1.00 0.00 WAT +ATOM 56433 H1 TIP3 16708 14.413 -11.764 35.458 1.00 0.00 WAT +ATOM 56434 H2 TIP3 16708 14.781 -11.560 36.931 1.00 0.00 WAT +ATOM 56435 OH2 TIP3 16709 28.143 -11.355 42.582 1.00 0.00 WAT +ATOM 56436 H1 TIP3 16709 27.530 -11.475 43.333 1.00 0.00 WAT +ATOM 56437 H2 TIP3 16709 28.871 -10.885 42.997 1.00 0.00 WAT +ATOM 56438 OH2 TIP3 16710 21.473 -24.155 41.783 1.00 0.00 WAT +ATOM 56439 H1 TIP3 16710 21.427 -25.125 41.824 1.00 0.00 WAT +ATOM 56440 H2 TIP3 16710 20.638 -23.903 42.224 1.00 0.00 WAT +ATOM 56441 OH2 TIP3 16711 26.371 -8.862 39.630 1.00 0.00 WAT +ATOM 56442 H1 TIP3 16711 26.837 -9.673 39.343 1.00 0.00 WAT +ATOM 56443 H2 TIP3 16711 27.051 -8.185 39.455 1.00 0.00 WAT +ATOM 56444 OH2 TIP3 16712 27.815 -11.015 38.210 1.00 0.00 WAT +ATOM 56445 H1 TIP3 16712 27.295 -11.495 37.551 1.00 0.00 WAT +ATOM 56446 H2 TIP3 16712 27.769 -11.641 38.963 1.00 0.00 WAT +ATOM 56447 OH2 TIP3 16713 23.614 -15.282 36.427 1.00 0.00 WAT +ATOM 56448 H1 TIP3 16713 22.956 -14.691 36.016 1.00 0.00 WAT +ATOM 56449 H2 TIP3 16713 24.336 -15.255 35.776 1.00 0.00 WAT +ATOM 56450 OH2 TIP3 16714 23.897 -17.100 33.468 1.00 0.00 WAT +ATOM 56451 H1 TIP3 16714 24.596 -16.787 34.072 1.00 0.00 WAT +ATOM 56452 H2 TIP3 16714 24.410 -17.680 32.886 1.00 0.00 WAT +ATOM 56453 OH2 TIP3 16715 27.100 -15.300 37.501 1.00 0.00 WAT +ATOM 56454 H1 TIP3 16715 26.460 -15.071 38.206 1.00 0.00 WAT +ATOM 56455 H2 TIP3 16715 27.738 -15.846 37.998 1.00 0.00 WAT +ATOM 56456 OH2 TIP3 16716 18.726 -14.483 39.257 1.00 0.00 WAT +ATOM 56457 H1 TIP3 16716 18.368 -14.928 38.464 1.00 0.00 WAT +ATOM 56458 H2 TIP3 16716 19.316 -15.158 39.627 1.00 0.00 WAT +ATOM 56459 OH2 TIP3 16717 19.706 -11.385 41.588 1.00 0.00 WAT +ATOM 56460 H1 TIP3 16717 19.956 -11.719 40.716 1.00 0.00 WAT +ATOM 56461 H2 TIP3 16717 20.545 -11.392 42.068 1.00 0.00 WAT +ATOM 56462 OH2 TIP3 16718 18.906 -15.671 42.719 1.00 0.00 WAT +ATOM 56463 H1 TIP3 16718 19.553 -15.812 42.000 1.00 0.00 WAT +ATOM 56464 H2 TIP3 16718 19.475 -15.400 43.448 1.00 0.00 WAT +ATOM 56465 OH2 TIP3 16719 26.063 -15.820 34.939 1.00 0.00 WAT +ATOM 56466 H1 TIP3 16719 26.543 -15.567 35.756 1.00 0.00 WAT +ATOM 56467 H2 TIP3 16719 26.570 -15.309 34.261 1.00 0.00 WAT +ATOM 56468 OH2 TIP3 16720 23.521 -9.245 38.528 1.00 0.00 WAT +ATOM 56469 H1 TIP3 16720 24.021 -8.919 39.285 1.00 0.00 WAT +ATOM 56470 H2 TIP3 16720 23.040 -8.457 38.232 1.00 0.00 WAT +ATOM 56471 OH2 TIP3 16721 29.463 -24.171 34.534 1.00 0.00 WAT +ATOM 56472 H1 TIP3 16721 28.631 -23.916 34.973 1.00 0.00 WAT +ATOM 56473 H2 TIP3 16721 29.868 -23.304 34.351 1.00 0.00 WAT +ATOM 56474 OH2 TIP3 16722 17.633 -15.762 36.823 1.00 0.00 WAT +ATOM 56475 H1 TIP3 16722 17.433 -15.017 36.229 1.00 0.00 WAT +ATOM 56476 H2 TIP3 16722 16.995 -16.426 36.529 1.00 0.00 WAT +ATOM 56477 OH2 TIP3 16723 30.921 -9.955 32.929 1.00 0.00 WAT +ATOM 56478 H1 TIP3 16723 31.075 -9.033 33.216 1.00 0.00 WAT +ATOM 56479 H2 TIP3 16723 31.769 -10.378 33.176 1.00 0.00 WAT +ATOM 56480 OH2 TIP3 16724 13.837 -10.343 42.384 1.00 0.00 WAT +ATOM 56481 H1 TIP3 16724 14.803 -10.397 42.431 1.00 0.00 WAT +ATOM 56482 H2 TIP3 16724 13.656 -9.529 42.869 1.00 0.00 WAT +ATOM 56483 OH2 TIP3 16725 23.091 -6.530 36.993 1.00 0.00 WAT +ATOM 56484 H1 TIP3 16725 23.086 -6.406 36.029 1.00 0.00 WAT +ATOM 56485 H2 TIP3 16725 23.100 -5.619 37.328 1.00 0.00 WAT +ATOM 56486 OH2 TIP3 16726 16.883 -7.387 38.621 1.00 0.00 WAT +ATOM 56487 H1 TIP3 16726 17.033 -7.848 39.470 1.00 0.00 WAT +ATOM 56488 H2 TIP3 16726 16.048 -7.781 38.333 1.00 0.00 WAT +ATOM 56489 OH2 TIP3 16727 26.368 -7.115 34.163 1.00 0.00 WAT +ATOM 56490 H1 TIP3 16727 26.953 -7.770 33.736 1.00 0.00 WAT +ATOM 56491 H2 TIP3 16727 26.320 -7.469 35.075 1.00 0.00 WAT +ATOM 56492 OH2 TIP3 16728 25.775 -7.669 36.973 1.00 0.00 WAT +ATOM 56493 H1 TIP3 16728 24.825 -7.522 37.132 1.00 0.00 WAT +ATOM 56494 H2 TIP3 16728 25.946 -8.386 37.607 1.00 0.00 WAT +ATOM 56495 OH2 TIP3 16729 19.032 -23.257 42.912 1.00 0.00 WAT +ATOM 56496 H1 TIP3 16729 18.196 -23.366 42.423 1.00 0.00 WAT +ATOM 56497 H2 TIP3 16729 19.076 -22.296 43.058 1.00 0.00 WAT +ATOM 56498 OH2 TIP3 16730 27.628 -14.754 32.949 1.00 0.00 WAT +ATOM 56499 H1 TIP3 16730 27.436 -14.944 32.011 1.00 0.00 WAT +ATOM 56500 H2 TIP3 16730 28.574 -14.532 32.906 1.00 0.00 WAT +ATOM 56501 OH2 TIP3 16731 23.244 -20.973 33.446 1.00 0.00 WAT +ATOM 56502 H1 TIP3 16731 22.773 -21.125 34.277 1.00 0.00 WAT +ATOM 56503 H2 TIP3 16731 22.856 -21.666 32.885 1.00 0.00 WAT +ATOM 56504 OH2 TIP3 16732 18.922 -18.201 38.839 1.00 0.00 WAT +ATOM 56505 H1 TIP3 16732 17.965 -18.286 38.674 1.00 0.00 WAT +ATOM 56506 H2 TIP3 16732 19.268 -18.428 37.952 1.00 0.00 WAT +ATOM 56507 OH2 TIP3 16733 24.495 -17.648 37.632 1.00 0.00 WAT +ATOM 56508 H1 TIP3 16733 24.093 -16.831 37.267 1.00 0.00 WAT +ATOM 56509 H2 TIP3 16733 25.197 -17.818 36.980 1.00 0.00 WAT +ATOM 56510 OH2 TIP3 16734 25.290 -18.244 40.422 1.00 0.00 WAT +ATOM 56511 H1 TIP3 16734 25.019 -17.686 39.666 1.00 0.00 WAT +ATOM 56512 H2 TIP3 16734 25.519 -19.062 39.935 1.00 0.00 WAT +ATOM 56513 OH2 TIP3 16735 19.703 -20.537 32.349 1.00 0.00 WAT +ATOM 56514 H1 TIP3 16735 19.341 -20.894 33.185 1.00 0.00 WAT +ATOM 56515 H2 TIP3 16735 18.904 -20.402 31.824 1.00 0.00 WAT +ATOM 56516 OH2 TIP3 16736 13.193 -20.604 39.421 1.00 0.00 WAT +ATOM 56517 H1 TIP3 16736 13.742 -20.707 40.218 1.00 0.00 WAT +ATOM 56518 H2 TIP3 16736 13.687 -21.070 38.731 1.00 0.00 WAT +ATOM 56519 OH2 TIP3 16737 14.735 -20.234 35.131 1.00 0.00 WAT +ATOM 56520 H1 TIP3 16737 15.278 -19.743 34.481 1.00 0.00 WAT +ATOM 56521 H2 TIP3 16737 14.035 -19.583 35.317 1.00 0.00 WAT +ATOM 56522 OH2 TIP3 16738 21.590 -20.581 39.840 1.00 0.00 WAT +ATOM 56523 H1 TIP3 16738 20.657 -20.687 40.089 1.00 0.00 WAT +ATOM 56524 H2 TIP3 16738 22.046 -20.854 40.654 1.00 0.00 WAT +ATOM 56525 OH2 TIP3 16739 16.229 -19.385 38.537 1.00 0.00 WAT +ATOM 56526 H1 TIP3 16739 15.408 -19.110 38.089 1.00 0.00 WAT +ATOM 56527 H2 TIP3 16739 16.504 -20.172 38.031 1.00 0.00 WAT +ATOM 56528 OH2 TIP3 16740 19.864 -19.063 36.215 1.00 0.00 WAT +ATOM 56529 H1 TIP3 16740 20.833 -18.989 36.257 1.00 0.00 WAT +ATOM 56530 H2 TIP3 16740 19.614 -18.472 35.483 1.00 0.00 WAT +ATOM 56531 OH2 TIP3 16741 26.026 -21.939 42.789 1.00 0.00 WAT +ATOM 56532 H1 TIP3 16741 25.676 -21.632 43.639 1.00 0.00 WAT +ATOM 56533 H2 TIP3 16741 25.257 -21.895 42.202 1.00 0.00 WAT +ATOM 56534 OH2 TIP3 16742 18.324 -17.827 33.993 1.00 0.00 WAT +ATOM 56535 H1 TIP3 16742 17.725 -18.101 33.282 1.00 0.00 WAT +ATOM 56536 H2 TIP3 16742 19.129 -17.620 33.488 1.00 0.00 WAT +ATOM 56537 OH2 TIP3 16743 22.544 -18.218 41.927 1.00 0.00 WAT +ATOM 56538 H1 TIP3 16743 23.259 -18.519 41.344 1.00 0.00 WAT +ATOM 56539 H2 TIP3 16743 22.613 -18.860 42.649 1.00 0.00 WAT +ATOM 56540 OH2 TIP3 16744 18.000 -21.663 37.872 1.00 0.00 WAT +ATOM 56541 H1 TIP3 16744 17.437 -22.446 37.995 1.00 0.00 WAT +ATOM 56542 H2 TIP3 16744 18.784 -22.032 37.445 1.00 0.00 WAT +ATOM 56543 OH2 TIP3 16745 21.770 -13.219 35.820 1.00 0.00 WAT +ATOM 56544 H1 TIP3 16745 21.022 -13.745 35.463 1.00 0.00 WAT +ATOM 56545 H2 TIP3 16745 21.599 -13.225 36.786 1.00 0.00 WAT +ATOM 56546 OH2 TIP3 16746 25.930 -20.422 33.621 1.00 0.00 WAT +ATOM 56547 H1 TIP3 16746 24.949 -20.410 33.567 1.00 0.00 WAT +ATOM 56548 H2 TIP3 16746 26.138 -19.677 34.219 1.00 0.00 WAT +ATOM 56549 OH2 TIP3 16747 26.621 -18.566 35.666 1.00 0.00 WAT +ATOM 56550 H1 TIP3 16747 27.504 -18.752 36.042 1.00 0.00 WAT +ATOM 56551 H2 TIP3 16747 26.757 -17.707 35.229 1.00 0.00 WAT +ATOM 56552 OH2 TIP3 16748 16.800 -14.098 41.757 1.00 0.00 WAT +ATOM 56553 H1 TIP3 16748 17.359 -14.008 40.971 1.00 0.00 WAT +ATOM 56554 H2 TIP3 16748 17.269 -14.815 42.224 1.00 0.00 WAT +ATOM 56555 OH2 TIP3 16749 24.183 -11.871 34.741 1.00 0.00 WAT +ATOM 56556 H1 TIP3 16749 23.922 -11.010 35.126 1.00 0.00 WAT +ATOM 56557 H2 TIP3 16749 23.433 -12.428 35.017 1.00 0.00 WAT +ATOM 56558 OH2 TIP3 16750 31.213 -18.611 35.376 1.00 0.00 WAT +ATOM 56559 H1 TIP3 16750 30.649 -18.797 34.600 1.00 0.00 WAT +ATOM 56560 H2 TIP3 16750 31.333 -17.649 35.248 1.00 0.00 WAT +ATOM 56561 OH2 TIP3 16751 29.329 -10.018 35.403 1.00 0.00 WAT +ATOM 56562 H1 TIP3 16751 29.197 -10.730 36.045 1.00 0.00 WAT +ATOM 56563 H2 TIP3 16751 30.028 -10.365 34.834 1.00 0.00 WAT +ATOM 56564 OH2 TIP3 16752 26.527 -14.461 42.459 1.00 0.00 WAT +ATOM 56565 H1 TIP3 16752 25.650 -14.803 42.701 1.00 0.00 WAT +ATOM 56566 H2 TIP3 16752 26.927 -15.229 42.008 1.00 0.00 WAT +ATOM 56567 OH2 TIP3 16753 19.317 -10.579 38.730 1.00 0.00 WAT +ATOM 56568 H1 TIP3 16753 19.718 -9.694 38.726 1.00 0.00 WAT +ATOM 56569 H2 TIP3 16753 18.380 -10.367 38.635 1.00 0.00 WAT +ATOM 56570 OH2 TIP3 16754 15.296 -15.764 33.508 1.00 0.00 WAT +ATOM 56571 H1 TIP3 16754 15.869 -15.085 33.908 1.00 0.00 WAT +ATOM 56572 H2 TIP3 16754 14.420 -15.501 33.849 1.00 0.00 WAT +ATOM 56573 OH2 TIP3 16755 21.132 -12.870 38.632 1.00 0.00 WAT +ATOM 56574 H1 TIP3 16755 20.800 -11.957 38.615 1.00 0.00 WAT +ATOM 56575 H2 TIP3 16755 20.349 -13.357 38.934 1.00 0.00 WAT +ATOM 56576 OH2 TIP3 16756 19.751 -7.653 38.133 1.00 0.00 WAT +ATOM 56577 H1 TIP3 16756 18.794 -7.496 38.193 1.00 0.00 WAT +ATOM 56578 H2 TIP3 16756 20.103 -6.776 38.386 1.00 0.00 WAT +ATOM 56579 OH2 TIP3 16757 26.864 -11.557 33.359 1.00 0.00 WAT +ATOM 56580 H1 TIP3 16757 27.313 -11.992 34.107 1.00 0.00 WAT +ATOM 56581 H2 TIP3 16757 25.944 -11.709 33.631 1.00 0.00 WAT +ATOM 56582 OH2 TIP3 16758 31.595 -7.286 33.866 1.00 0.00 WAT +ATOM 56583 H1 TIP3 16758 32.311 -6.642 33.726 1.00 0.00 WAT +ATOM 56584 H2 TIP3 16758 30.838 -6.674 33.887 1.00 0.00 WAT +ATOM 56585 OH2 TIP3 16759 27.848 -12.957 35.744 1.00 0.00 WAT +ATOM 56586 H1 TIP3 16759 27.590 -13.675 36.347 1.00 0.00 WAT +ATOM 56587 H2 TIP3 16759 28.816 -12.958 35.836 1.00 0.00 WAT +ATOM 56588 OH2 TIP3 16760 21.123 -10.510 31.934 1.00 0.00 WAT +ATOM 56589 H1 TIP3 16760 21.410 -11.307 31.451 1.00 0.00 WAT +ATOM 56590 H2 TIP3 16760 20.695 -10.904 32.714 1.00 0.00 WAT +ATOM 56591 OH2 TIP3 16761 19.968 -10.992 34.641 1.00 0.00 WAT +ATOM 56592 H1 TIP3 16761 20.474 -11.523 35.274 1.00 0.00 WAT +ATOM 56593 H2 TIP3 16761 20.109 -10.081 34.976 1.00 0.00 WAT +ATOM 56594 OH2 TIP3 16762 16.812 -13.552 35.047 1.00 0.00 WAT +ATOM 56595 H1 TIP3 16762 16.078 -13.172 35.571 1.00 0.00 WAT +ATOM 56596 H2 TIP3 16762 17.274 -12.743 34.768 1.00 0.00 WAT +ATOM 56597 OH2 TIP3 16763 25.101 -21.639 36.322 1.00 0.00 WAT +ATOM 56598 H1 TIP3 16763 25.301 -21.122 35.525 1.00 0.00 WAT +ATOM 56599 H2 TIP3 16763 25.557 -21.127 37.012 1.00 0.00 WAT +ATOM 56600 OH2 TIP3 16764 22.908 -9.378 35.278 1.00 0.00 WAT +ATOM 56601 H1 TIP3 16764 22.097 -8.877 35.462 1.00 0.00 WAT +ATOM 56602 H2 TIP3 16764 23.279 -8.886 34.534 1.00 0.00 WAT +ATOM 56603 OH2 TIP3 16765 22.517 -19.651 37.262 1.00 0.00 WAT +ATOM 56604 H1 TIP3 16765 23.280 -19.056 37.415 1.00 0.00 WAT +ATOM 56605 H2 TIP3 16765 22.216 -19.827 38.174 1.00 0.00 WAT +ATOM 56606 OH2 TIP3 16766 23.081 -22.643 38.188 1.00 0.00 WAT +ATOM 56607 H1 TIP3 16766 22.943 -21.988 38.896 1.00 0.00 WAT +ATOM 56608 H2 TIP3 16766 23.831 -22.238 37.706 1.00 0.00 WAT +ATOM 56609 OH2 TIP3 16767 20.115 -8.292 35.278 1.00 0.00 WAT +ATOM 56610 H1 TIP3 16767 20.052 -7.476 34.736 1.00 0.00 WAT +ATOM 56611 H2 TIP3 16767 19.978 -7.947 36.179 1.00 0.00 WAT +ATOM 56612 OH2 TIP3 16768 18.841 -21.627 34.749 1.00 0.00 WAT +ATOM 56613 H1 TIP3 16768 18.848 -20.859 35.345 1.00 0.00 WAT +ATOM 56614 H2 TIP3 16768 19.659 -22.086 35.025 1.00 0.00 WAT +ATOM 56615 OH2 TIP3 16769 27.604 -16.848 41.406 1.00 0.00 WAT +ATOM 56616 H1 TIP3 16769 26.832 -17.334 41.068 1.00 0.00 WAT +ATOM 56617 H2 TIP3 16769 28.177 -17.587 41.720 1.00 0.00 WAT +ATOM 56618 OH2 TIP3 16770 17.235 -10.744 33.805 1.00 0.00 WAT +ATOM 56619 H1 TIP3 16770 17.974 -10.259 34.212 1.00 0.00 WAT +ATOM 56620 H2 TIP3 16770 17.730 -11.246 33.138 1.00 0.00 WAT +ATOM 56621 OH2 TIP3 16771 15.384 -18.561 32.930 1.00 0.00 WAT +ATOM 56622 H1 TIP3 16771 15.493 -17.619 33.164 1.00 0.00 WAT +ATOM 56623 H2 TIP3 16771 14.512 -18.564 32.516 1.00 0.00 WAT +ATOM 56624 OH2 TIP3 16772 28.941 -7.098 43.172 1.00 0.00 WAT +ATOM 56625 H1 TIP3 16772 28.339 -7.180 42.426 1.00 0.00 WAT +ATOM 56626 H2 TIP3 16772 29.792 -7.394 42.830 1.00 0.00 WAT +ATOM 56627 OH2 TIP3 16773 16.278 -23.561 41.718 1.00 0.00 WAT +ATOM 56628 H1 TIP3 16773 16.120 -23.523 40.751 1.00 0.00 WAT +ATOM 56629 H2 TIP3 16773 15.910 -24.423 41.955 1.00 0.00 WAT +ATOM 56630 OH2 TIP3 16774 15.189 -10.049 37.995 1.00 0.00 WAT +ATOM 56631 H1 TIP3 16774 14.418 -9.520 38.240 1.00 0.00 WAT +ATOM 56632 H2 TIP3 16774 15.574 -9.516 37.282 1.00 0.00 WAT +ATOM 56633 OH2 TIP3 16775 23.342 -8.803 32.422 1.00 0.00 WAT +ATOM 56634 H1 TIP3 16775 22.580 -9.418 32.345 1.00 0.00 WAT +ATOM 56635 H2 TIP3 16775 24.049 -9.367 32.073 1.00 0.00 WAT +ATOM 56636 OH2 TIP3 16776 27.976 -8.913 32.521 1.00 0.00 WAT +ATOM 56637 H1 TIP3 16776 28.117 -9.686 33.096 1.00 0.00 WAT +ATOM 56638 H2 TIP3 16776 28.808 -8.890 32.019 1.00 0.00 WAT +ATOM 56639 OH2 TIP3 16777 18.769 -13.069 32.272 1.00 0.00 WAT +ATOM 56640 H1 TIP3 16777 18.923 -13.662 33.024 1.00 0.00 WAT +ATOM 56641 H2 TIP3 16777 19.632 -13.116 31.819 1.00 0.00 WAT +ATOM 56642 OH2 TIP3 16778 24.002 -11.743 31.885 1.00 0.00 WAT +ATOM 56643 H1 TIP3 16778 23.969 -11.788 32.858 1.00 0.00 WAT +ATOM 56644 H2 TIP3 16778 23.959 -12.700 31.673 1.00 0.00 WAT +ATOM 56645 OH2 TIP3 16779 19.868 -14.994 34.628 1.00 0.00 WAT +ATOM 56646 H1 TIP3 16779 19.240 -15.506 35.158 1.00 0.00 WAT +ATOM 56647 H2 TIP3 16779 20.164 -15.668 33.981 1.00 0.00 WAT +ATOM 56648 OH2 TIP3 16780 20.810 -16.969 32.878 1.00 0.00 WAT +ATOM 56649 H1 TIP3 16780 20.764 -16.907 31.907 1.00 0.00 WAT +ATOM 56650 H2 TIP3 16780 21.773 -17.016 33.024 1.00 0.00 WAT +ATOM 56651 OH2 TIP3 16781 30.329 -14.485 32.163 1.00 0.00 WAT +ATOM 56652 H1 TIP3 16781 30.154 -14.873 31.294 1.00 0.00 WAT +ATOM 56653 H2 TIP3 16781 30.239 -13.530 31.961 1.00 0.00 WAT +ATOM 56654 OH2 TIP3 16782 20.576 -5.759 33.964 1.00 0.00 WAT +ATOM 56655 H1 TIP3 16782 21.527 -5.623 34.086 1.00 0.00 WAT +ATOM 56656 H2 TIP3 16782 20.430 -5.290 33.133 1.00 0.00 WAT +ATOM 56657 OH2 TIP3 16783 14.483 -11.341 33.502 1.00 0.00 WAT +ATOM 56658 H1 TIP3 16783 15.438 -11.158 33.634 1.00 0.00 WAT +ATOM 56659 H2 TIP3 16783 14.504 -12.130 32.924 1.00 0.00 WAT +ATOM 56660 OH2 TIP3 16784 13.512 -6.178 38.214 1.00 0.00 WAT +ATOM 56661 H1 TIP3 16784 12.765 -6.536 37.697 1.00 0.00 WAT +ATOM 56662 H2 TIP3 16784 13.584 -6.837 38.934 1.00 0.00 WAT +ATOM 56663 OH2 TIP3 16785 13.873 -8.159 40.192 1.00 0.00 WAT +ATOM 56664 H1 TIP3 16785 13.612 -9.047 40.478 1.00 0.00 WAT +ATOM 56665 H2 TIP3 16785 14.147 -7.792 41.052 1.00 0.00 WAT +ATOM 56666 OH2 TIP3 16786 31.688 -6.616 42.770 1.00 0.00 WAT +ATOM 56667 H1 TIP3 16786 31.512 -6.873 43.692 1.00 0.00 WAT +ATOM 56668 H2 TIP3 16786 32.648 -6.773 42.728 1.00 0.00 WAT +ATOM 56669 OH2 TIP3 16787 30.748 -13.082 36.126 1.00 0.00 WAT +ATOM 56670 H1 TIP3 16787 31.635 -12.712 36.310 1.00 0.00 WAT +ATOM 56671 H2 TIP3 16787 30.674 -13.712 36.866 1.00 0.00 WAT +ATOM 56672 OH2 TIP3 16788 31.192 -15.138 38.118 1.00 0.00 WAT +ATOM 56673 H1 TIP3 16788 30.515 -15.688 38.554 1.00 0.00 WAT +ATOM 56674 H2 TIP3 16788 31.873 -15.034 38.815 1.00 0.00 WAT +ATOM 56675 OH2 TIP3 16789 30.885 -12.806 43.272 1.00 0.00 WAT +ATOM 56676 H1 TIP3 16789 31.527 -13.347 42.791 1.00 0.00 WAT +ATOM 56677 H2 TIP3 16789 31.005 -11.932 42.878 1.00 0.00 WAT +ATOM 56678 OH2 TIP3 16790 31.432 -15.686 34.690 1.00 0.00 WAT +ATOM 56679 H1 TIP3 16790 30.915 -15.404 33.914 1.00 0.00 WAT +ATOM 56680 H2 TIP3 16790 31.304 -14.931 35.287 1.00 0.00 WAT +ATOM 56681 OH2 TIP3 16791 29.683 -18.084 32.955 1.00 0.00 WAT +ATOM 56682 H1 TIP3 16791 29.962 -17.581 32.182 1.00 0.00 WAT +ATOM 56683 H2 TIP3 16791 29.430 -18.951 32.570 1.00 0.00 WAT +ATOM 56684 OH2 TIP3 16792 29.050 -16.989 38.918 1.00 0.00 WAT +ATOM 56685 H1 TIP3 16792 29.032 -17.950 38.775 1.00 0.00 WAT +ATOM 56686 H2 TIP3 16792 28.729 -16.901 39.833 1.00 0.00 WAT +ATOM 56687 OH2 TIP3 16793 13.963 -15.235 42.630 1.00 0.00 WAT +ATOM 56688 H1 TIP3 16793 14.292 -14.884 41.786 1.00 0.00 WAT +ATOM 56689 H2 TIP3 16793 14.747 -15.155 43.201 1.00 0.00 WAT +ATOM 56690 OH2 TIP3 16794 29.102 -20.725 32.342 1.00 0.00 WAT +ATOM 56691 H1 TIP3 16794 29.841 -21.351 32.414 1.00 0.00 WAT +ATOM 56692 H2 TIP3 16794 28.424 -21.279 31.937 1.00 0.00 WAT +ATOM 56693 OH2 TIP3 16795 28.974 -19.498 37.117 1.00 0.00 WAT +ATOM 56694 H1 TIP3 16795 29.216 -20.450 37.151 1.00 0.00 WAT +ATOM 56695 H2 TIP3 16795 29.769 -19.136 36.689 1.00 0.00 WAT +ATOM 56696 OH2 TIP3 16796 29.187 -18.839 42.186 1.00 0.00 WAT +ATOM 56697 H1 TIP3 16796 30.147 -18.847 42.338 1.00 0.00 WAT +ATOM 56698 H2 TIP3 16796 28.841 -18.988 43.084 1.00 0.00 WAT +ATOM 56699 OH2 TIP3 16797 29.427 -22.273 37.088 1.00 0.00 WAT +ATOM 56700 H1 TIP3 16797 29.558 -22.608 37.994 1.00 0.00 WAT +ATOM 56701 H2 TIP3 16797 28.635 -22.771 36.804 1.00 0.00 WAT +ATOM 56702 OH2 TIP3 16798 14.698 -20.989 41.921 1.00 0.00 WAT +ATOM 56703 H1 TIP3 16798 14.984 -21.911 42.030 1.00 0.00 WAT +ATOM 56704 H2 TIP3 16798 15.274 -20.548 42.553 1.00 0.00 WAT +ATOM 56705 OH2 TIP3 16799 13.126 -18.118 43.025 1.00 0.00 WAT +ATOM 56706 H1 TIP3 16799 13.502 -18.474 42.205 1.00 0.00 WAT +ATOM 56707 H2 TIP3 16799 13.372 -17.173 42.951 1.00 0.00 WAT +ATOM 56708 OH2 TIP3 16800 31.549 -22.064 33.752 1.00 0.00 WAT +ATOM 56709 H1 TIP3 16800 31.609 -22.552 32.899 1.00 0.00 WAT +ATOM 56710 H2 TIP3 16800 32.276 -21.435 33.665 1.00 0.00 WAT +ATOM 56711 OH2 TIP3 16801 13.663 -22.105 36.924 1.00 0.00 WAT +ATOM 56712 H1 TIP3 16801 12.711 -22.044 36.732 1.00 0.00 WAT +ATOM 56713 H2 TIP3 16801 14.059 -21.483 36.283 1.00 0.00 WAT +ATOM 56714 OH2 TIP3 16802 28.311 -6.833 39.076 1.00 0.00 WAT +ATOM 56715 H1 TIP3 16802 28.727 -7.090 38.232 1.00 0.00 WAT +ATOM 56716 H2 TIP3 16802 29.040 -6.359 39.491 1.00 0.00 WAT +ATOM 56717 OH2 TIP3 16803 15.307 -7.795 42.625 1.00 0.00 WAT +ATOM 56718 H1 TIP3 16803 15.683 -7.748 43.531 1.00 0.00 WAT +ATOM 56719 H2 TIP3 16803 16.134 -7.979 42.130 1.00 0.00 WAT +ATOM 56720 OH2 TIP3 16804 17.521 -8.655 41.165 1.00 0.00 WAT +ATOM 56721 H1 TIP3 16804 17.416 -9.594 41.421 1.00 0.00 WAT +ATOM 56722 H2 TIP3 16804 18.437 -8.477 41.462 1.00 0.00 WAT +ATOM 56723 OH2 TIP3 16805 20.188 -8.184 42.131 1.00 0.00 WAT +ATOM 56724 H1 TIP3 16805 20.531 -9.038 41.835 1.00 0.00 WAT +ATOM 56725 H2 TIP3 16805 20.334 -8.245 43.082 1.00 0.00 WAT +ATOM 56726 OH2 TIP3 16806 23.565 -22.177 41.280 1.00 0.00 WAT +ATOM 56727 H1 TIP3 16806 22.962 -22.902 41.541 1.00 0.00 WAT +ATOM 56728 H2 TIP3 16806 24.238 -22.661 40.767 1.00 0.00 WAT +ATOM 56729 OH2 TIP3 16807 28.547 -24.029 41.362 1.00 0.00 WAT +ATOM 56730 H1 TIP3 16807 29.215 -23.567 40.819 1.00 0.00 WAT +ATOM 56731 H2 TIP3 16807 27.706 -23.813 40.921 1.00 0.00 WAT +ATOM 56732 OH2 TIP3 16808 30.602 -23.115 39.600 1.00 0.00 WAT +ATOM 56733 H1 TIP3 16808 31.341 -23.537 39.125 1.00 0.00 WAT +ATOM 56734 H2 TIP3 16808 30.948 -22.208 39.733 1.00 0.00 WAT +ATOM 56735 OH2 TIP3 16809 15.946 -23.556 38.888 1.00 0.00 WAT +ATOM 56736 H1 TIP3 16809 15.090 -23.691 38.434 1.00 0.00 WAT +ATOM 56737 H2 TIP3 16809 16.379 -24.414 38.728 1.00 0.00 WAT +ATOM 56738 OH2 TIP3 16810 14.779 -24.073 34.774 1.00 0.00 WAT +ATOM 56739 H1 TIP3 16810 15.271 -23.405 34.259 1.00 0.00 WAT +ATOM 56740 H2 TIP3 16810 14.349 -23.529 35.454 1.00 0.00 WAT +ATOM 56741 OH2 TIP3 16811 20.463 -23.811 38.906 1.00 0.00 WAT +ATOM 56742 H1 TIP3 16811 21.341 -23.438 38.724 1.00 0.00 WAT +ATOM 56743 H2 TIP3 16811 20.490 -23.893 39.869 1.00 0.00 WAT +ATOM 56744 OH2 TIP3 16812 25.950 -23.665 40.047 1.00 0.00 WAT +ATOM 56745 H1 TIP3 16812 26.231 -23.908 39.156 1.00 0.00 WAT +ATOM 56746 H2 TIP3 16812 25.627 -24.509 40.403 1.00 0.00 WAT +ATOM 56747 OH2 TIP3 16813 27.107 -23.692 36.193 1.00 0.00 WAT +ATOM 56748 H1 TIP3 16813 26.299 -23.169 36.034 1.00 0.00 WAT +ATOM 56749 H2 TIP3 16813 26.746 -24.593 36.251 1.00 0.00 WAT +ATOM 56750 OH2 TIP3 16814 14.949 -8.113 35.934 1.00 0.00 WAT +ATOM 56751 H1 TIP3 16814 14.311 -8.229 35.213 1.00 0.00 WAT +ATOM 56752 H2 TIP3 16814 14.931 -7.150 36.027 1.00 0.00 WAT +ATOM 56753 OH2 TIP3 16815 16.474 -22.256 33.210 1.00 0.00 WAT +ATOM 56754 H1 TIP3 16815 17.094 -22.796 32.691 1.00 0.00 WAT +ATOM 56755 H2 TIP3 16815 17.064 -21.914 33.909 1.00 0.00 WAT +ATOM 56756 OH2 TIP3 16816 21.551 -22.080 35.844 1.00 0.00 WAT +ATOM 56757 H1 TIP3 16816 21.949 -22.618 36.547 1.00 0.00 WAT +ATOM 56758 H2 TIP3 16816 21.758 -21.194 36.182 1.00 0.00 WAT +ATOM 56759 OH2 TIP3 16817 23.618 -6.268 34.039 1.00 0.00 WAT +ATOM 56760 H1 TIP3 16817 24.593 -6.270 34.011 1.00 0.00 WAT +ATOM 56761 H2 TIP3 16817 23.422 -6.940 33.365 1.00 0.00 WAT +ATOM 56762 OH2 TIP3 16818 30.069 -7.228 36.645 1.00 0.00 WAT +ATOM 56763 H1 TIP3 16818 29.913 -8.084 36.202 1.00 0.00 WAT +ATOM 56764 H2 TIP3 16818 30.124 -6.629 35.886 1.00 0.00 WAT +ATOM 56765 OH2 TIP3 16819 16.381 -7.156 32.727 1.00 0.00 WAT +ATOM 56766 H1 TIP3 16819 16.142 -6.882 33.624 1.00 0.00 WAT +ATOM 56767 H2 TIP3 16819 17.154 -7.725 32.878 1.00 0.00 WAT +ATOM 56768 OH2 TIP3 16820 42.902 -15.277 42.278 1.00 0.00 WAT +ATOM 56769 H1 TIP3 16820 42.670 -15.857 43.028 1.00 0.00 WAT +ATOM 56770 H2 TIP3 16820 42.620 -15.826 41.509 1.00 0.00 WAT +ATOM 56771 OH2 TIP3 16821 35.786 -11.188 42.402 1.00 0.00 WAT +ATOM 56772 H1 TIP3 16821 35.607 -12.127 42.237 1.00 0.00 WAT +ATOM 56773 H2 TIP3 16821 36.735 -11.246 42.609 1.00 0.00 WAT +ATOM 56774 OH2 TIP3 16822 32.799 -17.749 37.774 1.00 0.00 WAT +ATOM 56775 H1 TIP3 16822 32.412 -16.865 37.882 1.00 0.00 WAT +ATOM 56776 H2 TIP3 16822 32.073 -18.233 37.364 1.00 0.00 WAT +ATOM 56777 OH2 TIP3 16823 33.533 -15.390 39.717 1.00 0.00 WAT +ATOM 56778 H1 TIP3 16823 33.776 -16.133 40.299 1.00 0.00 WAT +ATOM 56779 H2 TIP3 16823 34.385 -15.178 39.316 1.00 0.00 WAT +ATOM 56780 OH2 TIP3 16824 40.588 -13.136 42.778 1.00 0.00 WAT +ATOM 56781 H1 TIP3 16824 41.013 -13.796 42.213 1.00 0.00 WAT +ATOM 56782 H2 TIP3 16824 41.347 -12.803 43.293 1.00 0.00 WAT +ATOM 56783 OH2 TIP3 16825 37.420 -20.560 40.397 1.00 0.00 WAT +ATOM 56784 H1 TIP3 16825 37.549 -19.682 39.995 1.00 0.00 WAT +ATOM 56785 H2 TIP3 16825 37.050 -21.044 39.634 1.00 0.00 WAT +ATOM 56786 OH2 TIP3 16826 34.296 -17.888 41.004 1.00 0.00 WAT +ATOM 56787 H1 TIP3 16826 34.805 -18.497 41.543 1.00 0.00 WAT +ATOM 56788 H2 TIP3 16826 34.337 -18.321 40.133 1.00 0.00 WAT +ATOM 56789 OH2 TIP3 16827 39.359 -16.465 40.646 1.00 0.00 WAT +ATOM 56790 H1 TIP3 16827 40.205 -16.940 40.769 1.00 0.00 WAT +ATOM 56791 H2 TIP3 16827 38.964 -17.016 39.948 1.00 0.00 WAT +ATOM 56792 OH2 TIP3 16828 36.669 -19.611 42.996 1.00 0.00 WAT +ATOM 56793 H1 TIP3 16828 36.436 -18.696 42.806 1.00 0.00 WAT +ATOM 56794 H2 TIP3 16828 36.553 -20.065 42.143 1.00 0.00 WAT +ATOM 56795 OH2 TIP3 16829 33.458 -12.115 36.349 1.00 0.00 WAT +ATOM 56796 H1 TIP3 16829 33.308 -11.625 35.527 1.00 0.00 WAT +ATOM 56797 H2 TIP3 16829 33.727 -11.399 36.970 1.00 0.00 WAT +ATOM 56798 OH2 TIP3 16830 40.364 -24.159 41.758 1.00 0.00 WAT +ATOM 56799 H1 TIP3 16830 40.247 -25.120 41.835 1.00 0.00 WAT +ATOM 56800 H2 TIP3 16830 39.550 -23.837 42.196 1.00 0.00 WAT +ATOM 56801 OH2 TIP3 16831 42.872 -16.923 33.435 1.00 0.00 WAT +ATOM 56802 H1 TIP3 16831 43.502 -16.960 34.170 1.00 0.00 WAT +ATOM 56803 H2 TIP3 16831 42.943 -17.799 33.043 1.00 0.00 WAT +ATOM 56804 OH2 TIP3 16832 37.607 -14.479 39.249 1.00 0.00 WAT +ATOM 56805 H1 TIP3 16832 37.257 -14.952 38.472 1.00 0.00 WAT +ATOM 56806 H2 TIP3 16832 38.186 -15.141 39.659 1.00 0.00 WAT +ATOM 56807 OH2 TIP3 16833 38.784 -11.196 41.609 1.00 0.00 WAT +ATOM 56808 H1 TIP3 16833 38.789 -11.581 40.720 1.00 0.00 WAT +ATOM 56809 H2 TIP3 16833 39.512 -11.667 42.035 1.00 0.00 WAT +ATOM 56810 OH2 TIP3 16834 37.703 -15.820 42.740 1.00 0.00 WAT +ATOM 56811 H1 TIP3 16834 38.380 -15.892 42.036 1.00 0.00 WAT +ATOM 56812 H2 TIP3 16834 38.212 -15.458 43.481 1.00 0.00 WAT +ATOM 56813 OH2 TIP3 16835 42.591 -9.291 38.482 1.00 0.00 WAT +ATOM 56814 H1 TIP3 16835 43.008 -8.680 39.110 1.00 0.00 WAT +ATOM 56815 H2 TIP3 16835 42.049 -8.680 37.962 1.00 0.00 WAT +ATOM 56816 OH2 TIP3 16836 36.516 -15.799 36.787 1.00 0.00 WAT +ATOM 56817 H1 TIP3 16836 36.305 -15.016 36.249 1.00 0.00 WAT +ATOM 56818 H2 TIP3 16836 35.812 -16.409 36.532 1.00 0.00 WAT +ATOM 56819 OH2 TIP3 16837 32.685 -10.331 42.381 1.00 0.00 WAT +ATOM 56820 H1 TIP3 16837 33.650 -10.438 42.405 1.00 0.00 WAT +ATOM 56821 H2 TIP3 16837 32.567 -9.504 42.864 1.00 0.00 WAT +ATOM 56822 OH2 TIP3 16838 42.053 -6.542 37.058 1.00 0.00 WAT +ATOM 56823 H1 TIP3 16838 41.958 -6.508 36.097 1.00 0.00 WAT +ATOM 56824 H2 TIP3 16838 42.080 -5.613 37.316 1.00 0.00 WAT +ATOM 56825 OH2 TIP3 16839 37.916 -23.250 42.896 1.00 0.00 WAT +ATOM 56826 H1 TIP3 16839 37.062 -23.370 42.444 1.00 0.00 WAT +ATOM 56827 H2 TIP3 16839 37.925 -22.296 43.087 1.00 0.00 WAT +ATOM 56828 OH2 TIP3 16840 42.311 -20.938 33.457 1.00 0.00 WAT +ATOM 56829 H1 TIP3 16840 41.738 -21.060 34.226 1.00 0.00 WAT +ATOM 56830 H2 TIP3 16840 41.974 -21.625 32.865 1.00 0.00 WAT +ATOM 56831 OH2 TIP3 16841 37.764 -18.224 38.840 1.00 0.00 WAT +ATOM 56832 H1 TIP3 16841 36.806 -18.287 38.678 1.00 0.00 WAT +ATOM 56833 H2 TIP3 16841 38.112 -18.399 37.949 1.00 0.00 WAT +ATOM 56834 OH2 TIP3 16842 38.635 -20.545 32.337 1.00 0.00 WAT +ATOM 56835 H1 TIP3 16842 38.235 -20.875 33.167 1.00 0.00 WAT +ATOM 56836 H2 TIP3 16842 37.852 -20.376 31.798 1.00 0.00 WAT +ATOM 56837 OH2 TIP3 16843 32.004 -20.661 39.453 1.00 0.00 WAT +ATOM 56838 H1 TIP3 16843 32.614 -20.695 40.212 1.00 0.00 WAT +ATOM 56839 H2 TIP3 16843 32.517 -21.042 38.723 1.00 0.00 WAT +ATOM 56840 OH2 TIP3 16844 33.614 -20.224 35.143 1.00 0.00 WAT +ATOM 56841 H1 TIP3 16844 34.125 -19.747 34.462 1.00 0.00 WAT +ATOM 56842 H2 TIP3 16844 32.870 -19.615 35.293 1.00 0.00 WAT +ATOM 56843 OH2 TIP3 16845 40.463 -20.752 39.815 1.00 0.00 WAT +ATOM 56844 H1 TIP3 16845 39.517 -20.706 40.036 1.00 0.00 WAT +ATOM 56845 H2 TIP3 16845 40.854 -20.647 40.695 1.00 0.00 WAT +ATOM 56846 OH2 TIP3 16846 35.073 -19.401 38.542 1.00 0.00 WAT +ATOM 56847 H1 TIP3 16846 34.263 -19.103 38.087 1.00 0.00 WAT +ATOM 56848 H2 TIP3 16846 35.343 -20.181 38.023 1.00 0.00 WAT +ATOM 56849 OH2 TIP3 16847 38.842 -19.141 36.166 1.00 0.00 WAT +ATOM 56850 H1 TIP3 16847 39.751 -18.823 36.261 1.00 0.00 WAT +ATOM 56851 H2 TIP3 16847 38.451 -18.525 35.518 1.00 0.00 WAT +ATOM 56852 OH2 TIP3 16848 37.226 -17.892 33.996 1.00 0.00 WAT +ATOM 56853 H1 TIP3 16848 36.609 -18.103 33.277 1.00 0.00 WAT +ATOM 56854 H2 TIP3 16848 38.025 -17.663 33.496 1.00 0.00 WAT +ATOM 56855 OH2 TIP3 16849 41.253 -18.398 41.627 1.00 0.00 WAT +ATOM 56856 H1 TIP3 16849 41.952 -18.565 40.976 1.00 0.00 WAT +ATOM 56857 H2 TIP3 16849 41.616 -18.774 42.442 1.00 0.00 WAT +ATOM 56858 OH2 TIP3 16850 36.845 -21.664 37.829 1.00 0.00 WAT +ATOM 56859 H1 TIP3 16850 36.266 -22.428 37.998 1.00 0.00 WAT +ATOM 56860 H2 TIP3 16850 37.636 -22.078 37.467 1.00 0.00 WAT +ATOM 56861 OH2 TIP3 16851 40.800 -13.377 35.807 1.00 0.00 WAT +ATOM 56862 H1 TIP3 16851 40.044 -13.889 35.466 1.00 0.00 WAT +ATOM 56863 H2 TIP3 16851 40.697 -13.451 36.773 1.00 0.00 WAT +ATOM 56864 OH2 TIP3 16852 35.603 -14.217 41.711 1.00 0.00 WAT +ATOM 56865 H1 TIP3 16852 36.226 -14.009 41.001 1.00 0.00 WAT +ATOM 56866 H2 TIP3 16852 36.152 -14.815 42.255 1.00 0.00 WAT +ATOM 56867 OH2 TIP3 16853 42.880 -11.865 34.825 1.00 0.00 WAT +ATOM 56868 H1 TIP3 16853 42.501 -11.032 35.166 1.00 0.00 WAT +ATOM 56869 H2 TIP3 16853 42.193 -12.502 35.127 1.00 0.00 WAT +ATOM 56870 OH2 TIP3 16854 38.246 -10.410 38.790 1.00 0.00 WAT +ATOM 56871 H1 TIP3 16854 38.645 -9.576 38.509 1.00 0.00 WAT +ATOM 56872 H2 TIP3 16854 37.342 -10.235 38.484 1.00 0.00 WAT +ATOM 56873 OH2 TIP3 16855 34.151 -15.755 33.510 1.00 0.00 WAT +ATOM 56874 H1 TIP3 16855 34.729 -15.081 33.913 1.00 0.00 WAT +ATOM 56875 H2 TIP3 16855 33.280 -15.486 33.860 1.00 0.00 WAT +ATOM 56876 OH2 TIP3 16856 39.954 -12.737 38.688 1.00 0.00 WAT +ATOM 56877 H1 TIP3 16856 39.527 -11.864 38.633 1.00 0.00 WAT +ATOM 56878 H2 TIP3 16856 39.204 -13.316 38.893 1.00 0.00 WAT +ATOM 56879 OH2 TIP3 16857 39.914 -10.495 31.902 1.00 0.00 WAT +ATOM 56880 H1 TIP3 16857 40.308 -11.281 31.479 1.00 0.00 WAT +ATOM 56881 H2 TIP3 16857 39.606 -10.870 32.747 1.00 0.00 WAT +ATOM 56882 OH2 TIP3 16858 38.985 -10.892 34.770 1.00 0.00 WAT +ATOM 56883 H1 TIP3 16858 39.328 -11.438 35.492 1.00 0.00 WAT +ATOM 56884 H2 TIP3 16858 38.817 -10.052 35.235 1.00 0.00 WAT +ATOM 56885 OH2 TIP3 16859 35.603 -13.526 35.056 1.00 0.00 WAT +ATOM 56886 H1 TIP3 16859 34.917 -13.126 35.625 1.00 0.00 WAT +ATOM 56887 H2 TIP3 16859 36.086 -12.728 34.776 1.00 0.00 WAT +ATOM 56888 OH2 TIP3 16860 41.546 -9.258 35.275 1.00 0.00 WAT +ATOM 56889 H1 TIP3 16860 40.785 -8.695 35.478 1.00 0.00 WAT +ATOM 56890 H2 TIP3 16860 42.000 -8.758 34.593 1.00 0.00 WAT +ATOM 56891 OH2 TIP3 16861 41.619 -19.539 37.341 1.00 0.00 WAT +ATOM 56892 H1 TIP3 16861 42.062 -18.784 37.752 1.00 0.00 WAT +ATOM 56893 H2 TIP3 16861 41.146 -19.876 38.123 1.00 0.00 WAT +ATOM 56894 OH2 TIP3 16862 41.919 -22.660 38.443 1.00 0.00 WAT +ATOM 56895 H1 TIP3 16862 41.642 -21.874 38.968 1.00 0.00 WAT +ATOM 56896 H2 TIP3 16862 42.712 -22.318 37.992 1.00 0.00 WAT +ATOM 56897 OH2 TIP3 16863 37.701 -21.613 34.714 1.00 0.00 WAT +ATOM 56898 H1 TIP3 16863 37.684 -20.862 35.333 1.00 0.00 WAT +ATOM 56899 H2 TIP3 16863 38.503 -22.086 34.987 1.00 0.00 WAT +ATOM 56900 OH2 TIP3 16864 36.108 -10.770 33.791 1.00 0.00 WAT +ATOM 56901 H1 TIP3 16864 36.667 -10.157 34.310 1.00 0.00 WAT +ATOM 56902 H2 TIP3 16864 36.773 -11.228 33.254 1.00 0.00 WAT +ATOM 56903 OH2 TIP3 16865 34.237 -18.544 32.878 1.00 0.00 WAT +ATOM 56904 H1 TIP3 16865 34.319 -17.608 33.142 1.00 0.00 WAT +ATOM 56905 H2 TIP3 16865 33.333 -18.587 32.546 1.00 0.00 WAT +ATOM 56906 OH2 TIP3 16866 35.129 -23.570 41.720 1.00 0.00 WAT +ATOM 56907 H1 TIP3 16866 34.966 -23.531 40.755 1.00 0.00 WAT +ATOM 56908 H2 TIP3 16866 34.791 -24.443 41.962 1.00 0.00 WAT +ATOM 56909 OH2 TIP3 16867 34.270 -9.948 38.016 1.00 0.00 WAT +ATOM 56910 H1 TIP3 16867 33.560 -9.330 38.226 1.00 0.00 WAT +ATOM 56911 H2 TIP3 16867 34.848 -9.379 37.478 1.00 0.00 WAT +ATOM 56912 OH2 TIP3 16868 42.312 -8.824 32.252 1.00 0.00 WAT +ATOM 56913 H1 TIP3 16868 41.484 -9.345 32.276 1.00 0.00 WAT +ATOM 56914 H2 TIP3 16868 42.949 -9.551 32.129 1.00 0.00 WAT +ATOM 56915 OH2 TIP3 16869 37.638 -13.070 32.285 1.00 0.00 WAT +ATOM 56916 H1 TIP3 16869 37.798 -13.648 33.052 1.00 0.00 WAT +ATOM 56917 H2 TIP3 16869 38.511 -13.091 31.852 1.00 0.00 WAT +ATOM 56918 OH2 TIP3 16870 42.573 -11.738 31.841 1.00 0.00 WAT +ATOM 56919 H1 TIP3 16870 42.759 -11.628 32.791 1.00 0.00 WAT +ATOM 56920 H2 TIP3 16870 42.430 -12.697 31.789 1.00 0.00 WAT +ATOM 56921 OH2 TIP3 16871 38.666 -14.972 34.536 1.00 0.00 WAT +ATOM 56922 H1 TIP3 16871 38.102 -15.463 35.151 1.00 0.00 WAT +ATOM 56923 H2 TIP3 16871 39.022 -15.685 33.974 1.00 0.00 WAT +ATOM 56924 OH2 TIP3 16872 39.806 -17.013 32.903 1.00 0.00 WAT +ATOM 56925 H1 TIP3 16872 39.706 -16.915 31.939 1.00 0.00 WAT +ATOM 56926 H2 TIP3 16872 40.758 -16.853 33.015 1.00 0.00 WAT +ATOM 56927 OH2 TIP3 16873 39.595 -5.668 34.187 1.00 0.00 WAT +ATOM 56928 H1 TIP3 16873 40.524 -5.897 34.087 1.00 0.00 WAT +ATOM 56929 H2 TIP3 16873 39.291 -5.618 33.278 1.00 0.00 WAT +ATOM 56930 OH2 TIP3 16874 33.344 -11.333 33.482 1.00 0.00 WAT +ATOM 56931 H1 TIP3 16874 34.290 -11.152 33.676 1.00 0.00 WAT +ATOM 56932 H2 TIP3 16874 33.400 -12.145 32.944 1.00 0.00 WAT +ATOM 56933 OH2 TIP3 16875 32.334 -6.122 38.263 1.00 0.00 WAT +ATOM 56934 H1 TIP3 16875 31.643 -6.533 37.710 1.00 0.00 WAT +ATOM 56935 H2 TIP3 16875 32.467 -6.824 38.935 1.00 0.00 WAT +ATOM 56936 OH2 TIP3 16876 32.658 -8.112 40.221 1.00 0.00 WAT +ATOM 56937 H1 TIP3 16876 32.465 -9.028 40.468 1.00 0.00 WAT +ATOM 56938 H2 TIP3 16876 33.051 -7.799 41.052 1.00 0.00 WAT +ATOM 56939 OH2 TIP3 16877 32.782 -15.078 42.597 1.00 0.00 WAT +ATOM 56940 H1 TIP3 16877 33.157 -14.810 41.742 1.00 0.00 WAT +ATOM 56941 H2 TIP3 16877 33.585 -15.145 43.143 1.00 0.00 WAT +ATOM 56942 OH2 TIP3 16878 33.560 -20.988 41.903 1.00 0.00 WAT +ATOM 56943 H1 TIP3 16878 33.859 -21.901 42.046 1.00 0.00 WAT +ATOM 56944 H2 TIP3 16878 34.071 -20.528 42.576 1.00 0.00 WAT +ATOM 56945 OH2 TIP3 16879 31.934 -18.115 43.024 1.00 0.00 WAT +ATOM 56946 H1 TIP3 16879 32.386 -18.470 42.241 1.00 0.00 WAT +ATOM 56947 H2 TIP3 16879 32.236 -17.186 43.001 1.00 0.00 WAT +ATOM 56948 OH2 TIP3 16880 32.506 -22.075 36.947 1.00 0.00 WAT +ATOM 56949 H1 TIP3 16880 31.564 -22.055 36.705 1.00 0.00 WAT +ATOM 56950 H2 TIP3 16880 32.913 -21.508 36.262 1.00 0.00 WAT +ATOM 56951 OH2 TIP3 16881 34.134 -7.783 42.650 1.00 0.00 WAT +ATOM 56952 H1 TIP3 16881 34.571 -7.809 43.525 1.00 0.00 WAT +ATOM 56953 H2 TIP3 16881 34.923 -7.998 42.093 1.00 0.00 WAT +ATOM 56954 OH2 TIP3 16882 36.267 -8.501 41.196 1.00 0.00 WAT +ATOM 56955 H1 TIP3 16882 36.172 -9.468 41.153 1.00 0.00 WAT +ATOM 56956 H2 TIP3 16882 37.228 -8.395 41.245 1.00 0.00 WAT +ATOM 56957 OH2 TIP3 16883 39.158 -8.163 42.127 1.00 0.00 WAT +ATOM 56958 H1 TIP3 16883 39.230 -9.081 41.813 1.00 0.00 WAT +ATOM 56959 H2 TIP3 16883 39.091 -8.307 43.080 1.00 0.00 WAT +ATOM 56960 OH2 TIP3 16884 42.743 -22.549 41.345 1.00 0.00 WAT +ATOM 56961 H1 TIP3 16884 41.928 -23.020 41.592 1.00 0.00 WAT +ATOM 56962 H2 TIP3 16884 42.931 -22.942 40.488 1.00 0.00 WAT +ATOM 56963 OH2 TIP3 16885 34.814 -23.553 38.882 1.00 0.00 WAT +ATOM 56964 H1 TIP3 16885 33.952 -23.674 38.434 1.00 0.00 WAT +ATOM 56965 H2 TIP3 16885 35.232 -24.417 38.722 1.00 0.00 WAT +ATOM 56966 OH2 TIP3 16886 33.693 -24.088 34.778 1.00 0.00 WAT +ATOM 56967 H1 TIP3 16886 34.137 -23.403 34.241 1.00 0.00 WAT +ATOM 56968 H2 TIP3 16886 33.152 -23.537 35.367 1.00 0.00 WAT +ATOM 56969 OH2 TIP3 16887 39.352 -23.780 38.858 1.00 0.00 WAT +ATOM 56970 H1 TIP3 16887 40.259 -23.437 38.759 1.00 0.00 WAT +ATOM 56971 H2 TIP3 16887 39.304 -23.863 39.820 1.00 0.00 WAT +ATOM 56972 OH2 TIP3 16888 33.518 -8.192 35.882 1.00 0.00 WAT +ATOM 56973 H1 TIP3 16888 32.965 -8.087 35.099 1.00 0.00 WAT +ATOM 56974 H2 TIP3 16888 33.902 -7.318 35.998 1.00 0.00 WAT +ATOM 56975 OH2 TIP3 16889 35.335 -22.254 33.206 1.00 0.00 WAT +ATOM 56976 H1 TIP3 16889 35.952 -22.783 32.672 1.00 0.00 WAT +ATOM 56977 H2 TIP3 16889 35.929 -21.906 33.896 1.00 0.00 WAT +ATOM 56978 OH2 TIP3 16890 40.718 -22.006 35.805 1.00 0.00 WAT +ATOM 56979 H1 TIP3 16890 40.674 -22.593 36.576 1.00 0.00 WAT +ATOM 56980 H2 TIP3 16890 40.512 -21.144 36.198 1.00 0.00 WAT +ATOM 56981 OH2 TIP3 16891 42.632 -6.445 33.978 1.00 0.00 WAT +ATOM 56982 H1 TIP3 16891 43.535 -6.115 33.828 1.00 0.00 WAT +ATOM 56983 H2 TIP3 16891 42.508 -7.062 33.238 1.00 0.00 WAT +ATOM 56984 OH2 TIP3 16892 35.283 -7.137 32.775 1.00 0.00 WAT +ATOM 56985 H1 TIP3 16892 35.041 -6.942 33.692 1.00 0.00 WAT +ATOM 56986 H2 TIP3 16892 36.034 -7.737 32.916 1.00 0.00 WAT +ATOM 56987 OH2 TIP3 16893 -31.684 4.018 39.234 1.00 0.00 WAT +ATOM 56988 H1 TIP3 16893 -31.606 4.984 39.301 1.00 0.00 WAT +ATOM 56989 H2 TIP3 16893 -32.366 3.925 38.554 1.00 0.00 WAT +ATOM 56990 OH2 TIP3 16894 -32.762 3.427 42.468 1.00 0.00 WAT +ATOM 56991 H1 TIP3 16894 -32.769 2.678 43.090 1.00 0.00 WAT +ATOM 56992 H2 TIP3 16894 -32.802 2.985 41.610 1.00 0.00 WAT +ATOM 56993 OH2 TIP3 16895 -29.207 6.213 40.362 1.00 0.00 WAT +ATOM 56994 H1 TIP3 16895 -29.573 5.516 40.932 1.00 0.00 WAT +ATOM 56995 H2 TIP3 16895 -28.763 6.718 41.074 1.00 0.00 WAT +ATOM 56996 OH2 TIP3 16896 -39.540 7.658 42.444 1.00 0.00 WAT +ATOM 56997 H1 TIP3 16896 -39.859 6.768 42.236 1.00 0.00 WAT +ATOM 56998 H2 TIP3 16896 -38.585 7.466 42.532 1.00 0.00 WAT +ATOM 56999 OH2 TIP3 16897 -42.199 1.468 36.512 1.00 0.00 WAT +ATOM 57000 H1 TIP3 16897 -42.463 2.203 37.082 1.00 0.00 WAT +ATOM 57001 H2 TIP3 16897 -42.959 0.876 36.570 1.00 0.00 WAT +ATOM 57002 OH2 TIP3 16898 -42.022 3.329 39.476 1.00 0.00 WAT +ATOM 57003 H1 TIP3 16898 -41.787 2.783 40.241 1.00 0.00 WAT +ATOM 57004 H2 TIP3 16898 -41.200 3.806 39.315 1.00 0.00 WAT +ATOM 57005 OH2 TIP3 16899 -32.084 11.619 41.143 1.00 0.00 WAT +ATOM 57006 H1 TIP3 16899 -31.489 10.938 40.785 1.00 0.00 WAT +ATOM 57007 H2 TIP3 16899 -32.354 11.251 41.996 1.00 0.00 WAT +ATOM 57008 OH2 TIP3 16900 -34.668 5.719 42.776 1.00 0.00 WAT +ATOM 57009 H1 TIP3 16900 -34.237 5.025 42.249 1.00 0.00 WAT +ATOM 57010 H2 TIP3 16900 -33.862 6.065 43.213 1.00 0.00 WAT +ATOM 57011 OH2 TIP3 16901 -31.172 0.460 43.210 1.00 0.00 WAT +ATOM 57012 H1 TIP3 16901 -30.745 -0.384 43.438 1.00 0.00 WAT +ATOM 57013 H2 TIP3 16901 -31.096 0.489 42.239 1.00 0.00 WAT +ATOM 57014 OH2 TIP3 16902 -38.091 -1.668 40.425 1.00 0.00 WAT +ATOM 57015 H1 TIP3 16902 -37.884 -0.837 39.962 1.00 0.00 WAT +ATOM 57016 H2 TIP3 16902 -38.396 -2.218 39.676 1.00 0.00 WAT +ATOM 57017 OH2 TIP3 16903 -30.172 -1.476 38.654 1.00 0.00 WAT +ATOM 57018 H1 TIP3 16903 -29.646 -1.875 39.389 1.00 0.00 WAT +ATOM 57019 H2 TIP3 16903 -29.463 -1.039 38.163 1.00 0.00 WAT +ATOM 57020 OH2 TIP3 16904 -41.196 1.010 41.023 1.00 0.00 WAT +ATOM 57021 H1 TIP3 16904 -40.777 0.442 41.679 1.00 0.00 WAT +ATOM 57022 H2 TIP3 16904 -41.078 0.476 40.216 1.00 0.00 WAT +ATOM 57023 OH2 TIP3 16905 -36.030 2.396 40.555 1.00 0.00 WAT +ATOM 57024 H1 TIP3 16905 -35.267 1.854 40.829 1.00 0.00 WAT +ATOM 57025 H2 TIP3 16905 -36.465 1.799 39.916 1.00 0.00 WAT +ATOM 57026 OH2 TIP3 16906 -31.694 6.894 37.918 1.00 0.00 WAT +ATOM 57027 H1 TIP3 16906 -32.025 6.665 37.046 1.00 0.00 WAT +ATOM 57028 H2 TIP3 16906 -32.153 7.730 38.109 1.00 0.00 WAT +ATOM 57029 OH2 TIP3 16907 -28.428 -2.062 40.671 1.00 0.00 WAT +ATOM 57030 H1 TIP3 16907 -28.440 -2.965 41.070 1.00 0.00 WAT +ATOM 57031 H2 TIP3 16907 -27.910 -1.600 41.350 1.00 0.00 WAT +ATOM 57032 OH2 TIP3 16908 -38.767 -0.762 42.975 1.00 0.00 WAT +ATOM 57033 H1 TIP3 16908 -38.997 0.155 42.787 1.00 0.00 WAT +ATOM 57034 H2 TIP3 16908 -38.839 -1.200 42.103 1.00 0.00 WAT +ATOM 57035 OH2 TIP3 16909 -41.831 6.513 36.301 1.00 0.00 WAT +ATOM 57036 H1 TIP3 16909 -42.633 6.705 35.777 1.00 0.00 WAT +ATOM 57037 H2 TIP3 16909 -41.904 7.138 37.043 1.00 0.00 WAT +ATOM 57038 OH2 TIP3 16910 -28.319 6.952 42.787 1.00 0.00 WAT +ATOM 57039 H1 TIP3 16910 -28.972 7.155 43.485 1.00 0.00 WAT +ATOM 57040 H2 TIP3 16910 -27.875 7.812 42.671 1.00 0.00 WAT +ATOM 57041 OH2 TIP3 16911 -35.100 -5.307 41.773 1.00 0.00 WAT +ATOM 57042 H1 TIP3 16911 -35.140 -6.276 41.830 1.00 0.00 WAT +ATOM 57043 H2 TIP3 16911 -35.930 -5.054 42.224 1.00 0.00 WAT +ATOM 57044 OH2 TIP3 16912 -30.277 10.002 39.558 1.00 0.00 WAT +ATOM 57045 H1 TIP3 16912 -29.779 9.180 39.380 1.00 0.00 WAT +ATOM 57046 H2 TIP3 16912 -29.546 10.651 39.541 1.00 0.00 WAT +ATOM 57047 OH2 TIP3 16913 -28.707 7.806 38.163 1.00 0.00 WAT +ATOM 57048 H1 TIP3 16913 -29.310 7.353 37.560 1.00 0.00 WAT +ATOM 57049 H2 TIP3 16913 -28.785 7.232 38.954 1.00 0.00 WAT +ATOM 57050 OH2 TIP3 16914 -32.957 3.585 36.421 1.00 0.00 WAT +ATOM 57051 H1 TIP3 16914 -33.616 4.166 35.998 1.00 0.00 WAT +ATOM 57052 H2 TIP3 16914 -32.231 3.603 35.775 1.00 0.00 WAT +ATOM 57053 OH2 TIP3 16915 -32.675 1.772 33.460 1.00 0.00 WAT +ATOM 57054 H1 TIP3 16915 -31.975 2.067 34.070 1.00 0.00 WAT +ATOM 57055 H2 TIP3 16915 -32.174 1.170 32.891 1.00 0.00 WAT +ATOM 57056 OH2 TIP3 16916 -29.464 3.557 37.502 1.00 0.00 WAT +ATOM 57057 H1 TIP3 16916 -30.110 3.785 38.203 1.00 0.00 WAT +ATOM 57058 H2 TIP3 16916 -28.838 3.002 38.004 1.00 0.00 WAT +ATOM 57059 OH2 TIP3 16917 -37.803 4.384 39.235 1.00 0.00 WAT +ATOM 57060 H1 TIP3 16917 -38.178 3.921 38.460 1.00 0.00 WAT +ATOM 57061 H2 TIP3 16917 -37.237 3.700 39.629 1.00 0.00 WAT +ATOM 57062 OH2 TIP3 16918 -36.811 7.533 41.566 1.00 0.00 WAT +ATOM 57063 H1 TIP3 16918 -36.600 7.123 40.718 1.00 0.00 WAT +ATOM 57064 H2 TIP3 16918 -35.990 7.418 42.064 1.00 0.00 WAT +ATOM 57065 OH2 TIP3 16919 -37.667 3.220 42.686 1.00 0.00 WAT +ATOM 57066 H1 TIP3 16919 -36.975 3.041 42.020 1.00 0.00 WAT +ATOM 57067 H2 TIP3 16919 -37.144 3.402 43.477 1.00 0.00 WAT +ATOM 57068 OH2 TIP3 16920 -30.499 3.030 34.945 1.00 0.00 WAT +ATOM 57069 H1 TIP3 16920 -30.027 3.290 35.765 1.00 0.00 WAT +ATOM 57070 H2 TIP3 16920 -29.993 3.545 34.269 1.00 0.00 WAT +ATOM 57071 OH2 TIP3 16921 -33.096 9.598 38.542 1.00 0.00 WAT +ATOM 57072 H1 TIP3 16921 -32.484 9.901 39.224 1.00 0.00 WAT +ATOM 57073 H2 TIP3 16921 -33.534 10.414 38.257 1.00 0.00 WAT +ATOM 57074 OH2 TIP3 16922 -27.049 -5.245 34.437 1.00 0.00 WAT +ATOM 57075 H1 TIP3 16922 -27.928 -5.155 34.850 1.00 0.00 WAT +ATOM 57076 H2 TIP3 16922 -26.704 -4.341 34.507 1.00 0.00 WAT +ATOM 57077 OH2 TIP3 16923 -38.936 3.093 36.806 1.00 0.00 WAT +ATOM 57078 H1 TIP3 16923 -39.170 3.837 36.227 1.00 0.00 WAT +ATOM 57079 H2 TIP3 16923 -39.583 2.422 36.542 1.00 0.00 WAT +ATOM 57080 OH2 TIP3 16924 -25.658 8.903 32.941 1.00 0.00 WAT +ATOM 57081 H1 TIP3 16924 -25.508 9.829 33.217 1.00 0.00 WAT +ATOM 57082 H2 TIP3 16924 -24.802 8.490 33.168 1.00 0.00 WAT +ATOM 57083 OH2 TIP3 16925 -42.903 8.690 42.153 1.00 0.00 WAT +ATOM 57084 H1 TIP3 16925 -42.097 8.223 42.412 1.00 0.00 WAT +ATOM 57085 H2 TIP3 16925 -43.030 9.233 42.938 1.00 0.00 WAT +ATOM 57086 OH2 TIP3 16926 -33.521 12.337 36.991 1.00 0.00 WAT +ATOM 57087 H1 TIP3 16926 -33.457 12.442 36.028 1.00 0.00 WAT +ATOM 57088 H2 TIP3 16926 -33.452 13.249 37.317 1.00 0.00 WAT +ATOM 57089 OH2 TIP3 16927 -39.780 11.461 38.633 1.00 0.00 WAT +ATOM 57090 H1 TIP3 16927 -39.519 11.043 39.479 1.00 0.00 WAT +ATOM 57091 H2 TIP3 16927 -40.563 10.926 38.424 1.00 0.00 WAT +ATOM 57092 OH2 TIP3 16928 -30.215 11.741 34.173 1.00 0.00 WAT +ATOM 57093 H1 TIP3 16928 -29.615 11.100 33.745 1.00 0.00 WAT +ATOM 57094 H2 TIP3 16928 -30.253 11.384 35.085 1.00 0.00 WAT +ATOM 57095 OH2 TIP3 16929 -30.806 11.172 36.949 1.00 0.00 WAT +ATOM 57096 H1 TIP3 16929 -31.748 11.299 37.149 1.00 0.00 WAT +ATOM 57097 H2 TIP3 16929 -30.570 10.516 37.631 1.00 0.00 WAT +ATOM 57098 OH2 TIP3 16930 -37.527 -4.408 42.906 1.00 0.00 WAT +ATOM 57099 H1 TIP3 16930 -38.362 -4.562 42.424 1.00 0.00 WAT +ATOM 57100 H2 TIP3 16930 -37.534 -3.449 43.058 1.00 0.00 WAT +ATOM 57101 OH2 TIP3 16931 -28.939 4.095 32.948 1.00 0.00 WAT +ATOM 57102 H1 TIP3 16931 -29.133 3.912 32.009 1.00 0.00 WAT +ATOM 57103 H2 TIP3 16931 -27.998 4.339 32.904 1.00 0.00 WAT +ATOM 57104 OH2 TIP3 16932 -33.306 -2.126 33.450 1.00 0.00 WAT +ATOM 57105 H1 TIP3 16932 -33.783 -2.285 34.278 1.00 0.00 WAT +ATOM 57106 H2 TIP3 16932 -33.706 -2.808 32.881 1.00 0.00 WAT +ATOM 57107 OH2 TIP3 16933 -37.675 0.652 38.830 1.00 0.00 WAT +ATOM 57108 H1 TIP3 16933 -38.630 0.574 38.649 1.00 0.00 WAT +ATOM 57109 H2 TIP3 16933 -37.313 0.434 37.948 1.00 0.00 WAT +ATOM 57110 OH2 TIP3 16934 -32.065 1.215 37.634 1.00 0.00 WAT +ATOM 57111 H1 TIP3 16934 -32.476 2.027 37.269 1.00 0.00 WAT +ATOM 57112 H2 TIP3 16934 -31.374 1.037 36.975 1.00 0.00 WAT +ATOM 57113 OH2 TIP3 16935 -31.282 0.612 40.420 1.00 0.00 WAT +ATOM 57114 H1 TIP3 16935 -31.548 1.158 39.654 1.00 0.00 WAT +ATOM 57115 H2 TIP3 16935 -31.050 -0.215 39.953 1.00 0.00 WAT +ATOM 57116 OH2 TIP3 16936 -36.894 -1.612 32.397 1.00 0.00 WAT +ATOM 57117 H1 TIP3 16936 -37.248 -2.052 33.194 1.00 0.00 WAT +ATOM 57118 H2 TIP3 16936 -37.663 -1.576 31.818 1.00 0.00 WAT +ATOM 57119 OH2 TIP3 16937 -43.159 -1.607 39.374 1.00 0.00 WAT +ATOM 57120 H1 TIP3 16937 -43.002 -1.850 40.304 1.00 0.00 WAT +ATOM 57121 H2 TIP3 16937 -42.862 -2.400 38.919 1.00 0.00 WAT +ATOM 57122 OH2 TIP3 16938 -42.091 -1.252 35.264 1.00 0.00 WAT +ATOM 57123 H1 TIP3 16938 -41.483 -0.999 34.546 1.00 0.00 WAT +ATOM 57124 H2 TIP3 16938 -42.931 -0.905 34.948 1.00 0.00 WAT +ATOM 57125 OH2 TIP3 16939 -34.988 -1.691 39.849 1.00 0.00 WAT +ATOM 57126 H1 TIP3 16939 -35.906 -1.856 40.118 1.00 0.00 WAT +ATOM 57127 H2 TIP3 16939 -34.495 -2.013 40.624 1.00 0.00 WAT +ATOM 57128 OH2 TIP3 16940 -40.383 -0.478 38.452 1.00 0.00 WAT +ATOM 57129 H1 TIP3 16940 -41.177 -0.421 37.903 1.00 0.00 WAT +ATOM 57130 H2 TIP3 16940 -40.009 -1.330 38.155 1.00 0.00 WAT +ATOM 57131 OH2 TIP3 16941 -36.714 -0.212 36.212 1.00 0.00 WAT +ATOM 57132 H1 TIP3 16941 -35.743 -0.160 36.288 1.00 0.00 WAT +ATOM 57133 H2 TIP3 16941 -36.926 0.406 35.493 1.00 0.00 WAT +ATOM 57134 OH2 TIP3 16942 -30.576 -3.139 42.823 1.00 0.00 WAT +ATOM 57135 H1 TIP3 16942 -30.905 -2.749 43.646 1.00 0.00 WAT +ATOM 57136 H2 TIP3 16942 -31.301 -3.019 42.198 1.00 0.00 WAT +ATOM 57137 OH2 TIP3 16943 -38.267 1.096 33.981 1.00 0.00 WAT +ATOM 57138 H1 TIP3 16943 -38.847 0.718 33.302 1.00 0.00 WAT +ATOM 57139 H2 TIP3 16943 -37.443 1.229 33.483 1.00 0.00 WAT +ATOM 57140 OH2 TIP3 16944 -34.026 0.644 41.920 1.00 0.00 WAT +ATOM 57141 H1 TIP3 16944 -33.308 0.329 41.348 1.00 0.00 WAT +ATOM 57142 H2 TIP3 16944 -33.974 0.002 42.645 1.00 0.00 WAT +ATOM 57143 OH2 TIP3 16945 -38.720 -2.846 37.934 1.00 0.00 WAT +ATOM 57144 H1 TIP3 16945 -39.172 -3.700 37.986 1.00 0.00 WAT +ATOM 57145 H2 TIP3 16945 -37.913 -3.082 37.454 1.00 0.00 WAT +ATOM 57146 OH2 TIP3 16946 -34.810 5.651 35.813 1.00 0.00 WAT +ATOM 57147 H1 TIP3 16946 -35.557 5.117 35.469 1.00 0.00 WAT +ATOM 57148 H2 TIP3 16946 -34.966 5.644 36.782 1.00 0.00 WAT +ATOM 57149 OH2 TIP3 16947 -30.617 -1.529 33.571 1.00 0.00 WAT +ATOM 57150 H1 TIP3 16947 -31.600 -1.573 33.562 1.00 0.00 WAT +ATOM 57151 H2 TIP3 16947 -30.428 -0.827 34.227 1.00 0.00 WAT +ATOM 57152 OH2 TIP3 16948 -29.941 0.274 35.630 1.00 0.00 WAT +ATOM 57153 H1 TIP3 16948 -29.077 0.101 36.055 1.00 0.00 WAT +ATOM 57154 H2 TIP3 16948 -29.809 1.154 35.235 1.00 0.00 WAT +ATOM 57155 OH2 TIP3 16949 -39.750 4.587 41.585 1.00 0.00 WAT +ATOM 57156 H1 TIP3 16949 -39.111 4.811 40.889 1.00 0.00 WAT +ATOM 57157 H2 TIP3 16949 -39.187 3.997 42.129 1.00 0.00 WAT +ATOM 57158 OH2 TIP3 16950 -32.385 6.986 34.722 1.00 0.00 WAT +ATOM 57159 H1 TIP3 16950 -32.633 7.841 35.129 1.00 0.00 WAT +ATOM 57160 H2 TIP3 16950 -33.125 6.425 35.013 1.00 0.00 WAT +ATOM 57161 OH2 TIP3 16951 -25.343 0.244 35.379 1.00 0.00 WAT +ATOM 57162 H1 TIP3 16951 -25.915 0.066 34.608 1.00 0.00 WAT +ATOM 57163 H2 TIP3 16951 -25.223 1.206 35.262 1.00 0.00 WAT +ATOM 57164 OH2 TIP3 16952 -27.213 8.858 35.420 1.00 0.00 WAT +ATOM 57165 H1 TIP3 16952 -27.393 8.138 36.045 1.00 0.00 WAT +ATOM 57166 H2 TIP3 16952 -26.570 8.470 34.813 1.00 0.00 WAT +ATOM 57167 OH2 TIP3 16953 -30.063 4.376 42.447 1.00 0.00 WAT +ATOM 57168 H1 TIP3 16953 -30.925 4.019 42.712 1.00 0.00 WAT +ATOM 57169 H2 TIP3 16953 -29.645 3.612 42.008 1.00 0.00 WAT +ATOM 57170 OH2 TIP3 16954 -37.264 8.273 38.705 1.00 0.00 WAT +ATOM 57171 H1 TIP3 16954 -36.852 9.149 38.750 1.00 0.00 WAT +ATOM 57172 H2 TIP3 16954 -38.202 8.497 38.653 1.00 0.00 WAT +ATOM 57173 OH2 TIP3 16955 -41.515 3.273 33.582 1.00 0.00 WAT +ATOM 57174 H1 TIP3 16955 -40.796 3.806 33.977 1.00 0.00 WAT +ATOM 57175 H2 TIP3 16955 -42.277 3.831 33.778 1.00 0.00 WAT +ATOM 57176 OH2 TIP3 16956 -35.430 5.993 38.612 1.00 0.00 WAT +ATOM 57177 H1 TIP3 16956 -35.777 6.900 38.614 1.00 0.00 WAT +ATOM 57178 H2 TIP3 16956 -36.198 5.488 38.926 1.00 0.00 WAT +ATOM 57179 OH2 TIP3 16957 -36.812 11.217 38.101 1.00 0.00 WAT +ATOM 57180 H1 TIP3 16957 -37.767 11.346 38.197 1.00 0.00 WAT +ATOM 57181 H2 TIP3 16957 -36.464 12.084 38.386 1.00 0.00 WAT +ATOM 57182 OH2 TIP3 16958 -29.700 7.295 33.356 1.00 0.00 WAT +ATOM 57183 H1 TIP3 16958 -29.259 6.852 34.105 1.00 0.00 WAT +ATOM 57184 H2 TIP3 16958 -30.622 7.149 33.624 1.00 0.00 WAT +ATOM 57185 OH2 TIP3 16959 -24.949 11.556 33.894 1.00 0.00 WAT +ATOM 57186 H1 TIP3 16959 -24.257 12.213 33.702 1.00 0.00 WAT +ATOM 57187 H2 TIP3 16959 -25.719 12.154 33.926 1.00 0.00 WAT +ATOM 57188 OH2 TIP3 16960 -28.730 5.887 35.719 1.00 0.00 WAT +ATOM 57189 H1 TIP3 16960 -28.997 5.192 36.344 1.00 0.00 WAT +ATOM 57190 H2 TIP3 16960 -27.766 5.905 35.844 1.00 0.00 WAT +ATOM 57191 OH2 TIP3 16961 -35.462 8.343 31.930 1.00 0.00 WAT +ATOM 57192 H1 TIP3 16961 -35.154 7.553 31.448 1.00 0.00 WAT +ATOM 57193 H2 TIP3 16961 -35.870 7.938 32.714 1.00 0.00 WAT +ATOM 57194 OH2 TIP3 16962 -36.639 7.859 34.662 1.00 0.00 WAT +ATOM 57195 H1 TIP3 16962 -36.114 7.320 35.273 1.00 0.00 WAT +ATOM 57196 H2 TIP3 16962 -36.473 8.766 34.995 1.00 0.00 WAT +ATOM 57197 OH2 TIP3 16963 -39.874 5.277 34.979 1.00 0.00 WAT +ATOM 57198 H1 TIP3 16963 -40.564 5.684 35.557 1.00 0.00 WAT +ATOM 57199 H2 TIP3 16963 -39.351 6.069 34.779 1.00 0.00 WAT +ATOM 57200 OH2 TIP3 16964 -31.451 -2.784 36.322 1.00 0.00 WAT +ATOM 57201 H1 TIP3 16964 -31.258 -2.233 35.550 1.00 0.00 WAT +ATOM 57202 H2 TIP3 16964 -31.012 -2.292 37.040 1.00 0.00 WAT +ATOM 57203 OH2 TIP3 16965 -33.661 9.480 35.280 1.00 0.00 WAT +ATOM 57204 H1 TIP3 16965 -34.469 9.985 35.464 1.00 0.00 WAT +ATOM 57205 H2 TIP3 16965 -33.285 9.964 34.534 1.00 0.00 WAT +ATOM 57206 OH2 TIP3 16966 -34.074 -0.764 37.263 1.00 0.00 WAT +ATOM 57207 H1 TIP3 16966 -33.289 -0.204 37.429 1.00 0.00 WAT +ATOM 57208 H2 TIP3 16966 -34.354 -0.985 38.173 1.00 0.00 WAT +ATOM 57209 OH2 TIP3 16967 -33.513 -3.774 38.163 1.00 0.00 WAT +ATOM 57210 H1 TIP3 16967 -33.592 -3.182 38.932 1.00 0.00 WAT +ATOM 57211 H2 TIP3 16967 -32.726 -3.398 37.722 1.00 0.00 WAT +ATOM 57212 OH2 TIP3 16968 -36.464 10.571 35.273 1.00 0.00 WAT +ATOM 57213 H1 TIP3 16968 -36.526 11.398 34.754 1.00 0.00 WAT +ATOM 57214 H2 TIP3 16968 -36.580 10.893 36.188 1.00 0.00 WAT +ATOM 57215 OH2 TIP3 16969 -37.737 -2.767 34.802 1.00 0.00 WAT +ATOM 57216 H1 TIP3 16969 -37.655 -1.966 35.347 1.00 0.00 WAT +ATOM 57217 H2 TIP3 16969 -36.922 -3.248 35.053 1.00 0.00 WAT +ATOM 57218 OH2 TIP3 16970 -28.964 2.022 41.366 1.00 0.00 WAT +ATOM 57219 H1 TIP3 16970 -29.746 1.521 41.080 1.00 0.00 WAT +ATOM 57220 H2 TIP3 16970 -28.391 1.301 41.725 1.00 0.00 WAT +ATOM 57221 OH2 TIP3 16971 -39.304 8.173 33.788 1.00 0.00 WAT +ATOM 57222 H1 TIP3 16971 -38.530 8.553 34.238 1.00 0.00 WAT +ATOM 57223 H2 TIP3 16971 -38.853 7.574 33.176 1.00 0.00 WAT +ATOM 57224 OH2 TIP3 16972 -41.092 0.296 32.927 1.00 0.00 WAT +ATOM 57225 H1 TIP3 16972 -41.101 1.221 33.216 1.00 0.00 WAT +ATOM 57226 H2 TIP3 16972 -41.950 0.156 32.518 1.00 0.00 WAT +ATOM 57227 OH2 TIP3 16973 -27.962 11.675 43.617 1.00 0.00 WAT +ATOM 57228 H1 TIP3 16973 -28.248 12.242 42.875 1.00 0.00 WAT +ATOM 57229 H2 TIP3 16973 -27.008 11.731 43.479 1.00 0.00 WAT +ATOM 57230 OH2 TIP3 16974 -40.239 -4.827 41.675 1.00 0.00 WAT +ATOM 57231 H1 TIP3 16974 -40.574 -4.776 40.761 1.00 0.00 WAT +ATOM 57232 H2 TIP3 16974 -40.745 -5.562 42.045 1.00 0.00 WAT +ATOM 57233 OH2 TIP3 16975 -41.367 8.906 37.980 1.00 0.00 WAT +ATOM 57234 H1 TIP3 16975 -42.270 9.255 38.021 1.00 0.00 WAT +ATOM 57235 H2 TIP3 16975 -41.031 9.296 37.164 1.00 0.00 WAT +ATOM 57236 OH2 TIP3 16976 -33.232 10.057 32.422 1.00 0.00 WAT +ATOM 57237 H1 TIP3 16976 -33.980 9.425 32.341 1.00 0.00 WAT +ATOM 57238 H2 TIP3 16976 -32.510 9.506 32.078 1.00 0.00 WAT +ATOM 57239 OH2 TIP3 16977 -28.602 9.947 32.523 1.00 0.00 WAT +ATOM 57240 H1 TIP3 16977 -28.449 9.168 33.086 1.00 0.00 WAT +ATOM 57241 H2 TIP3 16977 -27.778 9.985 32.010 1.00 0.00 WAT +ATOM 57242 OH2 TIP3 16978 -37.810 5.774 32.281 1.00 0.00 WAT +ATOM 57243 H1 TIP3 16978 -37.628 5.184 33.032 1.00 0.00 WAT +ATOM 57244 H2 TIP3 16978 -36.952 5.742 31.814 1.00 0.00 WAT +ATOM 57245 OH2 TIP3 16979 -32.582 7.110 31.888 1.00 0.00 WAT +ATOM 57246 H1 TIP3 16979 -32.596 7.063 32.861 1.00 0.00 WAT +ATOM 57247 H2 TIP3 16979 -32.612 6.153 31.674 1.00 0.00 WAT +ATOM 57248 OH2 TIP3 16980 -36.738 3.879 34.611 1.00 0.00 WAT +ATOM 57249 H1 TIP3 16980 -37.329 3.350 35.168 1.00 0.00 WAT +ATOM 57250 H2 TIP3 16980 -36.423 3.201 33.977 1.00 0.00 WAT +ATOM 57251 OH2 TIP3 16981 -35.753 1.901 32.879 1.00 0.00 WAT +ATOM 57252 H1 TIP3 16981 -35.789 1.946 31.907 1.00 0.00 WAT +ATOM 57253 H2 TIP3 16981 -34.791 1.836 33.033 1.00 0.00 WAT +ATOM 57254 OH2 TIP3 16982 -26.238 4.400 32.194 1.00 0.00 WAT +ATOM 57255 H1 TIP3 16982 -26.361 3.972 31.336 1.00 0.00 WAT +ATOM 57256 H2 TIP3 16982 -26.364 5.344 31.957 1.00 0.00 WAT +ATOM 57257 OH2 TIP3 16983 -36.011 13.153 33.979 1.00 0.00 WAT +ATOM 57258 H1 TIP3 16983 -35.053 13.213 34.110 1.00 0.00 WAT +ATOM 57259 H2 TIP3 16983 -36.099 13.492 33.081 1.00 0.00 WAT +ATOM 57260 OH2 TIP3 16984 -41.992 8.011 33.045 1.00 0.00 WAT +ATOM 57261 H1 TIP3 16984 -41.219 7.956 33.640 1.00 0.00 WAT +ATOM 57262 H2 TIP3 16984 -42.167 7.081 32.839 1.00 0.00 WAT +ATOM 57263 OH2 TIP3 16985 -42.748 10.780 40.168 1.00 0.00 WAT +ATOM 57264 H1 TIP3 16985 -42.756 9.877 40.538 1.00 0.00 WAT +ATOM 57265 H2 TIP3 16985 -42.451 11.248 40.968 1.00 0.00 WAT +ATOM 57266 OH2 TIP3 16986 -25.183 12.088 42.860 1.00 0.00 WAT +ATOM 57267 H1 TIP3 16986 -25.095 11.834 43.794 1.00 0.00 WAT +ATOM 57268 H2 TIP3 16986 -24.253 12.175 42.613 1.00 0.00 WAT +ATOM 57269 OH2 TIP3 16987 -25.846 5.765 36.126 1.00 0.00 WAT +ATOM 57270 H1 TIP3 16987 -24.943 6.083 36.309 1.00 0.00 WAT +ATOM 57271 H2 TIP3 16987 -25.953 5.136 36.862 1.00 0.00 WAT +ATOM 57272 OH2 TIP3 16988 -25.367 3.703 38.120 1.00 0.00 WAT +ATOM 57273 H1 TIP3 16988 -26.065 3.174 38.551 1.00 0.00 WAT +ATOM 57274 H2 TIP3 16988 -24.708 3.821 38.834 1.00 0.00 WAT +ATOM 57275 OH2 TIP3 16989 -25.484 6.058 43.371 1.00 0.00 WAT +ATOM 57276 H1 TIP3 16989 -25.014 5.524 42.722 1.00 0.00 WAT +ATOM 57277 H2 TIP3 16989 -25.648 6.888 42.903 1.00 0.00 WAT +ATOM 57278 OH2 TIP3 16990 -25.127 3.175 34.676 1.00 0.00 WAT +ATOM 57279 H1 TIP3 16990 -25.652 3.471 33.909 1.00 0.00 WAT +ATOM 57280 H2 TIP3 16990 -25.271 3.910 35.294 1.00 0.00 WAT +ATOM 57281 OH2 TIP3 16991 -26.892 0.743 32.944 1.00 0.00 WAT +ATOM 57282 H1 TIP3 16991 -26.616 1.314 32.217 1.00 0.00 WAT +ATOM 57283 H2 TIP3 16991 -27.123 -0.090 32.488 1.00 0.00 WAT +ATOM 57284 OH2 TIP3 16992 -27.511 1.865 38.919 1.00 0.00 WAT +ATOM 57285 H1 TIP3 16992 -27.540 0.902 38.793 1.00 0.00 WAT +ATOM 57286 H2 TIP3 16992 -27.843 1.962 39.832 1.00 0.00 WAT +ATOM 57287 OH2 TIP3 16993 -42.293 4.410 43.055 1.00 0.00 WAT +ATOM 57288 H1 TIP3 16993 -42.399 4.413 42.095 1.00 0.00 WAT +ATOM 57289 H2 TIP3 16993 -41.410 4.030 43.147 1.00 0.00 WAT +ATOM 57290 OH2 TIP3 16994 -27.399 -1.918 32.150 1.00 0.00 WAT +ATOM 57291 H1 TIP3 16994 -26.819 -2.419 32.751 1.00 0.00 WAT +ATOM 57292 H2 TIP3 16994 -28.202 -2.459 32.099 1.00 0.00 WAT +ATOM 57293 OH2 TIP3 16995 -27.600 -0.641 37.088 1.00 0.00 WAT +ATOM 57294 H1 TIP3 16995 -27.364 -1.590 37.163 1.00 0.00 WAT +ATOM 57295 H2 TIP3 16995 -26.784 -0.289 36.693 1.00 0.00 WAT +ATOM 57296 OH2 TIP3 16996 -27.356 0.090 42.222 1.00 0.00 WAT +ATOM 57297 H1 TIP3 16996 -26.404 0.001 42.393 1.00 0.00 WAT +ATOM 57298 H2 TIP3 16996 -27.745 -0.263 43.045 1.00 0.00 WAT +ATOM 57299 OH2 TIP3 16997 -27.120 -3.438 37.065 1.00 0.00 WAT +ATOM 57300 H1 TIP3 16997 -27.017 -3.756 37.982 1.00 0.00 WAT +ATOM 57301 H2 TIP3 16997 -27.925 -3.922 36.785 1.00 0.00 WAT +ATOM 57302 OH2 TIP3 16998 -41.707 -1.916 41.979 1.00 0.00 WAT +ATOM 57303 H1 TIP3 16998 -41.735 -2.880 42.086 1.00 0.00 WAT +ATOM 57304 H2 TIP3 16998 -41.048 -1.687 42.645 1.00 0.00 WAT +ATOM 57305 OH2 TIP3 16999 -43.466 0.624 43.175 1.00 0.00 WAT +ATOM 57306 H1 TIP3 16999 -43.115 0.097 42.440 1.00 0.00 WAT +ATOM 57307 H2 TIP3 16999 -42.877 1.386 43.172 1.00 0.00 WAT +ATOM 57308 OH2 TIP3 17000 -25.159 -2.944 33.723 1.00 0.00 WAT +ATOM 57309 H1 TIP3 17000 -24.845 -3.761 33.298 1.00 0.00 WAT +ATOM 57310 H2 TIP3 17000 -24.334 -2.445 33.840 1.00 0.00 WAT +ATOM 57311 OH2 TIP3 17001 -43.158 -3.411 36.494 1.00 0.00 WAT +ATOM 57312 H1 TIP3 17001 -44.017 -3.169 36.109 1.00 0.00 WAT +ATOM 57313 H2 TIP3 17001 -42.586 -2.693 36.141 1.00 0.00 WAT +ATOM 57314 OH2 TIP3 17002 -28.326 12.078 38.993 1.00 0.00 WAT +ATOM 57315 H1 TIP3 17002 -27.802 11.784 38.229 1.00 0.00 WAT +ATOM 57316 H2 TIP3 17002 -27.639 12.411 39.589 1.00 0.00 WAT +ATOM 57317 OH2 TIP3 17003 -41.551 11.217 42.642 1.00 0.00 WAT +ATOM 57318 H1 TIP3 17003 -41.278 11.182 43.577 1.00 0.00 WAT +ATOM 57319 H2 TIP3 17003 -40.693 11.019 42.232 1.00 0.00 WAT +ATOM 57320 OH2 TIP3 17004 -39.092 10.225 41.146 1.00 0.00 WAT +ATOM 57321 H1 TIP3 17004 -39.235 9.306 41.455 1.00 0.00 WAT +ATOM 57322 H2 TIP3 17004 -38.198 10.405 41.494 1.00 0.00 WAT +ATOM 57323 OH2 TIP3 17005 -36.344 10.689 42.125 1.00 0.00 WAT +ATOM 57324 H1 TIP3 17005 -36.086 9.807 41.819 1.00 0.00 WAT +ATOM 57325 H2 TIP3 17005 -36.261 10.583 43.080 1.00 0.00 WAT +ATOM 57326 OH2 TIP3 17006 -33.025 -3.315 41.221 1.00 0.00 WAT +ATOM 57327 H1 TIP3 17006 -33.596 -4.045 41.534 1.00 0.00 WAT +ATOM 57328 H2 TIP3 17006 -32.311 -3.812 40.770 1.00 0.00 WAT +ATOM 57329 OH2 TIP3 17007 -28.051 -4.585 41.489 1.00 0.00 WAT +ATOM 57330 H1 TIP3 17007 -27.216 -5.020 41.282 1.00 0.00 WAT +ATOM 57331 H2 TIP3 17007 -28.741 -5.207 41.245 1.00 0.00 WAT +ATOM 57332 OH2 TIP3 17008 -25.876 -4.304 39.553 1.00 0.00 WAT +ATOM 57333 H1 TIP3 17008 -25.125 -4.665 39.052 1.00 0.00 WAT +ATOM 57334 H2 TIP3 17008 -25.603 -3.385 39.728 1.00 0.00 WAT +ATOM 57335 OH2 TIP3 17009 -41.068 -4.833 38.854 1.00 0.00 WAT +ATOM 57336 H1 TIP3 17009 -41.807 -5.114 38.298 1.00 0.00 WAT +ATOM 57337 H2 TIP3 17009 -40.457 -5.584 38.746 1.00 0.00 WAT +ATOM 57338 OH2 TIP3 17010 -41.802 -5.228 34.699 1.00 0.00 WAT +ATOM 57339 H1 TIP3 17010 -41.316 -4.547 34.197 1.00 0.00 WAT +ATOM 57340 H2 TIP3 17010 -42.339 -4.682 35.302 1.00 0.00 WAT +ATOM 57341 OH2 TIP3 17011 -36.123 -4.916 38.915 1.00 0.00 WAT +ATOM 57342 H1 TIP3 17011 -35.228 -4.588 38.722 1.00 0.00 WAT +ATOM 57343 H2 TIP3 17011 -36.075 -5.042 39.873 1.00 0.00 WAT +ATOM 57344 OH2 TIP3 17012 -30.809 -4.780 39.978 1.00 0.00 WAT +ATOM 57345 H1 TIP3 17012 -30.300 -5.040 39.202 1.00 0.00 WAT +ATOM 57346 H2 TIP3 17012 -30.986 -5.630 40.412 1.00 0.00 WAT +ATOM 57347 OH2 TIP3 17013 -29.442 -4.836 36.160 1.00 0.00 WAT +ATOM 57348 H1 TIP3 17013 -30.263 -4.321 36.038 1.00 0.00 WAT +ATOM 57349 H2 TIP3 17013 -29.802 -5.730 36.290 1.00 0.00 WAT +ATOM 57350 OH2 TIP3 17014 -41.893 10.794 35.728 1.00 0.00 WAT +ATOM 57351 H1 TIP3 17014 -42.505 10.617 35.006 1.00 0.00 WAT +ATOM 57352 H2 TIP3 17014 -41.828 11.757 35.710 1.00 0.00 WAT +ATOM 57353 OH2 TIP3 17015 -40.043 -3.295 33.202 1.00 0.00 WAT +ATOM 57354 H1 TIP3 17015 -39.509 -3.939 32.706 1.00 0.00 WAT +ATOM 57355 H2 TIP3 17015 -39.424 -3.055 33.919 1.00 0.00 WAT +ATOM 57356 OH2 TIP3 17016 -35.010 -3.205 35.829 1.00 0.00 WAT +ATOM 57357 H1 TIP3 17016 -34.629 -3.776 36.518 1.00 0.00 WAT +ATOM 57358 H2 TIP3 17016 -34.791 -2.338 36.205 1.00 0.00 WAT +ATOM 57359 OH2 TIP3 17017 -32.959 12.595 34.025 1.00 0.00 WAT +ATOM 57360 H1 TIP3 17017 -31.982 12.600 34.012 1.00 0.00 WAT +ATOM 57361 H2 TIP3 17017 -33.132 11.904 33.365 1.00 0.00 WAT +ATOM 57362 OH2 TIP3 17018 -26.449 11.610 36.636 1.00 0.00 WAT +ATOM 57363 H1 TIP3 17018 -26.689 10.782 36.176 1.00 0.00 WAT +ATOM 57364 H2 TIP3 17018 -26.479 12.251 35.907 1.00 0.00 WAT +ATOM 57365 OH2 TIP3 17019 -40.093 11.821 32.720 1.00 0.00 WAT +ATOM 57366 H1 TIP3 17019 -40.404 11.948 33.627 1.00 0.00 WAT +ATOM 57367 H2 TIP3 17019 -39.427 11.122 32.834 1.00 0.00 WAT +ATOM 57368 OH2 TIP3 17020 -12.816 4.020 39.221 1.00 0.00 WAT +ATOM 57369 H1 TIP3 17020 -12.756 4.987 39.297 1.00 0.00 WAT +ATOM 57370 H2 TIP3 17020 -13.516 3.921 38.560 1.00 0.00 WAT +ATOM 57371 OH2 TIP3 17021 -13.849 3.420 42.463 1.00 0.00 WAT +ATOM 57372 H1 TIP3 17021 -13.905 2.679 43.091 1.00 0.00 WAT +ATOM 57373 H2 TIP3 17021 -13.967 2.978 41.612 1.00 0.00 WAT +ATOM 57374 OH2 TIP3 17022 -10.264 6.171 40.430 1.00 0.00 WAT +ATOM 57375 H1 TIP3 17022 -10.643 5.518 41.041 1.00 0.00 WAT +ATOM 57376 H2 TIP3 17022 -9.916 6.799 41.105 1.00 0.00 WAT +ATOM 57377 OH2 TIP3 17023 -20.737 7.647 42.468 1.00 0.00 WAT +ATOM 57378 H1 TIP3 17023 -21.006 6.740 42.235 1.00 0.00 WAT +ATOM 57379 H2 TIP3 17023 -19.779 7.490 42.583 1.00 0.00 WAT +ATOM 57380 OH2 TIP3 17024 -23.763 1.147 37.760 1.00 0.00 WAT +ATOM 57381 H1 TIP3 17024 -24.194 2.011 37.871 1.00 0.00 WAT +ATOM 57382 H2 TIP3 17024 -24.487 0.609 37.420 1.00 0.00 WAT +ATOM 57383 OH2 TIP3 17025 -23.015 3.495 39.745 1.00 0.00 WAT +ATOM 57384 H1 TIP3 17025 -22.811 2.718 40.299 1.00 0.00 WAT +ATOM 57385 H2 TIP3 17025 -22.184 3.611 39.272 1.00 0.00 WAT +ATOM 57386 OH2 TIP3 17026 -13.241 11.590 41.125 1.00 0.00 WAT +ATOM 57387 H1 TIP3 17026 -12.600 10.919 40.831 1.00 0.00 WAT +ATOM 57388 H2 TIP3 17026 -13.496 11.274 42.006 1.00 0.00 WAT +ATOM 57389 OH2 TIP3 17027 -15.817 5.699 42.773 1.00 0.00 WAT +ATOM 57390 H1 TIP3 17027 -15.373 5.028 42.232 1.00 0.00 WAT +ATOM 57391 H2 TIP3 17027 -15.019 6.065 43.210 1.00 0.00 WAT +ATOM 57392 OH2 TIP3 17028 -12.315 0.453 43.222 1.00 0.00 WAT +ATOM 57393 H1 TIP3 17028 -11.894 -0.399 43.423 1.00 0.00 WAT +ATOM 57394 H2 TIP3 17028 -12.251 0.503 42.250 1.00 0.00 WAT +ATOM 57395 OH2 TIP3 17029 -19.205 -1.683 40.420 1.00 0.00 WAT +ATOM 57396 H1 TIP3 17029 -19.038 -0.834 39.973 1.00 0.00 WAT +ATOM 57397 H2 TIP3 17029 -19.528 -2.209 39.663 1.00 0.00 WAT +ATOM 57398 OH2 TIP3 17030 -11.318 -1.483 38.642 1.00 0.00 WAT +ATOM 57399 H1 TIP3 17030 -10.793 -1.871 39.384 1.00 0.00 WAT +ATOM 57400 H2 TIP3 17030 -10.611 -1.030 38.162 1.00 0.00 WAT +ATOM 57401 OH2 TIP3 17031 -22.206 0.999 40.987 1.00 0.00 WAT +ATOM 57402 H1 TIP3 17031 -21.810 0.345 41.567 1.00 0.00 WAT +ATOM 57403 H2 TIP3 17031 -22.215 0.525 40.137 1.00 0.00 WAT +ATOM 57404 OH2 TIP3 17032 -17.159 2.401 40.554 1.00 0.00 WAT +ATOM 57405 H1 TIP3 17032 -16.413 1.841 40.832 1.00 0.00 WAT +ATOM 57406 H2 TIP3 17032 -17.609 1.814 39.915 1.00 0.00 WAT +ATOM 57407 OH2 TIP3 17033 -12.830 6.897 37.922 1.00 0.00 WAT +ATOM 57408 H1 TIP3 17033 -13.176 6.668 37.056 1.00 0.00 WAT +ATOM 57409 H2 TIP3 17033 -13.287 7.735 38.117 1.00 0.00 WAT +ATOM 57410 OH2 TIP3 17034 -9.567 -2.016 40.655 1.00 0.00 WAT +ATOM 57411 H1 TIP3 17034 -9.571 -2.943 41.001 1.00 0.00 WAT +ATOM 57412 H2 TIP3 17034 -9.057 -1.585 41.359 1.00 0.00 WAT +ATOM 57413 OH2 TIP3 17035 -19.953 -0.763 42.982 1.00 0.00 WAT +ATOM 57414 H1 TIP3 17035 -20.140 0.159 42.781 1.00 0.00 WAT +ATOM 57415 H2 TIP3 17035 -20.003 -1.206 42.112 1.00 0.00 WAT +ATOM 57416 OH2 TIP3 17036 -23.083 6.593 36.266 1.00 0.00 WAT +ATOM 57417 H1 TIP3 17036 -23.305 7.100 35.467 1.00 0.00 WAT +ATOM 57418 H2 TIP3 17036 -22.928 7.290 36.939 1.00 0.00 WAT +ATOM 57419 OH2 TIP3 17037 -9.559 7.645 42.516 1.00 0.00 WAT +ATOM 57420 H1 TIP3 17037 -10.212 7.566 43.239 1.00 0.00 WAT +ATOM 57421 H2 TIP3 17037 -9.043 8.398 42.814 1.00 0.00 WAT +ATOM 57422 OH2 TIP3 17038 -16.241 -5.303 41.775 1.00 0.00 WAT +ATOM 57423 H1 TIP3 17038 -16.287 -6.272 41.830 1.00 0.00 WAT +ATOM 57424 H2 TIP3 17038 -17.071 -5.046 42.223 1.00 0.00 WAT +ATOM 57425 OH2 TIP3 17039 -11.344 10.004 39.613 1.00 0.00 WAT +ATOM 57426 H1 TIP3 17039 -10.878 9.189 39.344 1.00 0.00 WAT +ATOM 57427 H2 TIP3 17039 -10.668 10.678 39.406 1.00 0.00 WAT +ATOM 57428 OH2 TIP3 17040 -9.865 7.813 38.211 1.00 0.00 WAT +ATOM 57429 H1 TIP3 17040 -10.450 7.361 37.589 1.00 0.00 WAT +ATOM 57430 H2 TIP3 17040 -9.926 7.212 38.982 1.00 0.00 WAT +ATOM 57431 OH2 TIP3 17041 -14.096 3.570 36.424 1.00 0.00 WAT +ATOM 57432 H1 TIP3 17041 -14.761 4.166 36.030 1.00 0.00 WAT +ATOM 57433 H2 TIP3 17041 -13.380 3.608 35.768 1.00 0.00 WAT +ATOM 57434 OH2 TIP3 17042 -13.811 1.787 33.433 1.00 0.00 WAT +ATOM 57435 H1 TIP3 17042 -13.128 2.068 34.070 1.00 0.00 WAT +ATOM 57436 H2 TIP3 17042 -13.303 1.167 32.890 1.00 0.00 WAT +ATOM 57437 OH2 TIP3 17043 -10.604 3.561 37.503 1.00 0.00 WAT +ATOM 57438 H1 TIP3 17043 -11.262 3.787 38.196 1.00 0.00 WAT +ATOM 57439 H2 TIP3 17043 -9.991 3.000 38.012 1.00 0.00 WAT +ATOM 57440 OH2 TIP3 17044 -18.959 4.379 39.238 1.00 0.00 WAT +ATOM 57441 H1 TIP3 17044 -19.330 3.918 38.461 1.00 0.00 WAT +ATOM 57442 H2 TIP3 17044 -18.400 3.695 39.639 1.00 0.00 WAT +ATOM 57443 OH2 TIP3 17045 -17.975 7.556 41.550 1.00 0.00 WAT +ATOM 57444 H1 TIP3 17045 -17.737 7.107 40.729 1.00 0.00 WAT +ATOM 57445 H2 TIP3 17045 -17.177 7.456 42.087 1.00 0.00 WAT +ATOM 57446 OH2 TIP3 17046 -18.795 3.227 42.696 1.00 0.00 WAT +ATOM 57447 H1 TIP3 17046 -18.111 3.072 42.016 1.00 0.00 WAT +ATOM 57448 H2 TIP3 17046 -18.268 3.435 43.476 1.00 0.00 WAT +ATOM 57449 OH2 TIP3 17047 -11.635 3.027 34.944 1.00 0.00 WAT +ATOM 57450 H1 TIP3 17047 -11.170 3.292 35.766 1.00 0.00 WAT +ATOM 57451 H2 TIP3 17047 -11.132 3.545 34.269 1.00 0.00 WAT +ATOM 57452 OH2 TIP3 17048 -14.183 9.611 38.521 1.00 0.00 WAT +ATOM 57453 H1 TIP3 17048 -13.693 9.927 39.289 1.00 0.00 WAT +ATOM 57454 H2 TIP3 17048 -14.680 10.395 38.245 1.00 0.00 WAT +ATOM 57455 OH2 TIP3 17049 -8.144 -5.346 34.553 1.00 0.00 WAT +ATOM 57456 H1 TIP3 17049 -9.067 -5.183 34.824 1.00 0.00 WAT +ATOM 57457 H2 TIP3 17049 -7.811 -4.439 34.447 1.00 0.00 WAT +ATOM 57458 OH2 TIP3 17050 -20.061 3.094 36.810 1.00 0.00 WAT +ATOM 57459 H1 TIP3 17050 -20.291 3.839 36.229 1.00 0.00 WAT +ATOM 57460 H2 TIP3 17050 -20.709 2.427 36.546 1.00 0.00 WAT +ATOM 57461 OH2 TIP3 17051 -6.816 8.920 33.012 1.00 0.00 WAT +ATOM 57462 H1 TIP3 17051 -6.606 9.863 33.155 1.00 0.00 WAT +ATOM 57463 H2 TIP3 17051 -5.954 8.498 33.198 1.00 0.00 WAT +ATOM 57464 OH2 TIP3 17052 -23.847 8.540 42.291 1.00 0.00 WAT +ATOM 57465 H1 TIP3 17052 -22.899 8.460 42.463 1.00 0.00 WAT +ATOM 57466 H2 TIP3 17052 -24.120 9.242 42.895 1.00 0.00 WAT +ATOM 57467 OH2 TIP3 17053 -14.629 12.330 36.987 1.00 0.00 WAT +ATOM 57468 H1 TIP3 17053 -14.623 12.456 36.024 1.00 0.00 WAT +ATOM 57469 H2 TIP3 17053 -14.614 13.239 37.325 1.00 0.00 WAT +ATOM 57470 OH2 TIP3 17054 -20.819 11.457 38.619 1.00 0.00 WAT +ATOM 57471 H1 TIP3 17054 -20.684 11.001 39.474 1.00 0.00 WAT +ATOM 57472 H2 TIP3 17054 -21.672 11.095 38.342 1.00 0.00 WAT +ATOM 57473 OH2 TIP3 17055 -11.352 11.754 34.161 1.00 0.00 WAT +ATOM 57474 H1 TIP3 17055 -10.757 11.098 33.750 1.00 0.00 WAT +ATOM 57475 H2 TIP3 17055 -11.411 11.409 35.079 1.00 0.00 WAT +ATOM 57476 OH2 TIP3 17056 -11.974 11.172 36.921 1.00 0.00 WAT +ATOM 57477 H1 TIP3 17056 -12.913 11.324 37.131 1.00 0.00 WAT +ATOM 57478 H2 TIP3 17056 -11.751 10.508 37.596 1.00 0.00 WAT +ATOM 57479 OH2 TIP3 17057 -18.670 -4.402 42.901 1.00 0.00 WAT +ATOM 57480 H1 TIP3 17057 -19.513 -4.510 42.424 1.00 0.00 WAT +ATOM 57481 H2 TIP3 17057 -18.640 -3.447 43.078 1.00 0.00 WAT +ATOM 57482 OH2 TIP3 17058 -10.097 4.100 32.932 1.00 0.00 WAT +ATOM 57483 H1 TIP3 17058 -10.264 3.886 31.998 1.00 0.00 WAT +ATOM 57484 H2 TIP3 17058 -9.152 4.336 32.904 1.00 0.00 WAT +ATOM 57485 OH2 TIP3 17059 -14.453 -2.126 33.448 1.00 0.00 WAT +ATOM 57486 H1 TIP3 17059 -14.937 -2.278 34.274 1.00 0.00 WAT +ATOM 57487 H2 TIP3 17059 -14.851 -2.812 32.883 1.00 0.00 WAT +ATOM 57488 OH2 TIP3 17060 -18.794 0.667 38.833 1.00 0.00 WAT +ATOM 57489 H1 TIP3 17060 -19.752 0.563 38.680 1.00 0.00 WAT +ATOM 57490 H2 TIP3 17060 -18.451 0.420 37.952 1.00 0.00 WAT +ATOM 57491 OH2 TIP3 17061 -13.206 1.212 37.638 1.00 0.00 WAT +ATOM 57492 H1 TIP3 17061 -13.619 2.025 37.277 1.00 0.00 WAT +ATOM 57493 H2 TIP3 17061 -12.521 1.035 36.973 1.00 0.00 WAT +ATOM 57494 OH2 TIP3 17062 -12.419 0.614 40.424 1.00 0.00 WAT +ATOM 57495 H1 TIP3 17062 -12.692 1.159 39.659 1.00 0.00 WAT +ATOM 57496 H2 TIP3 17062 -12.197 -0.215 39.956 1.00 0.00 WAT +ATOM 57497 OH2 TIP3 17063 -18.026 -1.640 32.353 1.00 0.00 WAT +ATOM 57498 H1 TIP3 17063 -18.358 -2.021 33.192 1.00 0.00 WAT +ATOM 57499 H2 TIP3 17063 -18.830 -1.589 31.823 1.00 0.00 WAT +ATOM 57500 OH2 TIP3 17064 -24.504 -1.726 39.409 1.00 0.00 WAT +ATOM 57501 H1 TIP3 17064 -23.972 -1.837 40.218 1.00 0.00 WAT +ATOM 57502 H2 TIP3 17064 -24.018 -2.224 38.737 1.00 0.00 WAT +ATOM 57503 OH2 TIP3 17065 -22.984 -1.385 35.119 1.00 0.00 WAT +ATOM 57504 H1 TIP3 17065 -22.425 -0.891 34.488 1.00 0.00 WAT +ATOM 57505 H2 TIP3 17065 -23.673 -0.726 35.321 1.00 0.00 WAT +ATOM 57506 OH2 TIP3 17066 -16.127 -1.701 39.844 1.00 0.00 WAT +ATOM 57507 H1 TIP3 17066 -17.056 -1.841 40.093 1.00 0.00 WAT +ATOM 57508 H2 TIP3 17066 -15.660 -2.011 40.639 1.00 0.00 WAT +ATOM 57509 OH2 TIP3 17067 -21.464 -0.521 38.522 1.00 0.00 WAT +ATOM 57510 H1 TIP3 17067 -22.301 -0.264 38.093 1.00 0.00 WAT +ATOM 57511 H2 TIP3 17067 -21.199 -1.322 38.032 1.00 0.00 WAT +ATOM 57512 OH2 TIP3 17068 -17.846 -0.218 36.207 1.00 0.00 WAT +ATOM 57513 H1 TIP3 17068 -16.878 -0.139 36.272 1.00 0.00 WAT +ATOM 57514 H2 TIP3 17068 -18.088 0.402 35.499 1.00 0.00 WAT +ATOM 57515 OH2 TIP3 17069 -11.703 -3.111 42.819 1.00 0.00 WAT +ATOM 57516 H1 TIP3 17069 -12.064 -2.761 43.647 1.00 0.00 WAT +ATOM 57517 H2 TIP3 17069 -12.440 -3.040 42.197 1.00 0.00 WAT +ATOM 57518 OH2 TIP3 17070 -19.403 1.057 33.993 1.00 0.00 WAT +ATOM 57519 H1 TIP3 17070 -19.995 0.733 33.298 1.00 0.00 WAT +ATOM 57520 H2 TIP3 17070 -18.587 1.218 33.491 1.00 0.00 WAT +ATOM 57521 OH2 TIP3 17071 -15.159 0.651 41.919 1.00 0.00 WAT +ATOM 57522 H1 TIP3 17071 -14.450 0.317 41.346 1.00 0.00 WAT +ATOM 57523 H2 TIP3 17071 -15.130 0.005 42.640 1.00 0.00 WAT +ATOM 57524 OH2 TIP3 17072 -19.721 -2.809 37.848 1.00 0.00 WAT +ATOM 57525 H1 TIP3 17072 -20.280 -3.589 38.003 1.00 0.00 WAT +ATOM 57526 H2 TIP3 17072 -18.918 -3.199 37.477 1.00 0.00 WAT +ATOM 57527 OH2 TIP3 17073 -15.934 5.625 35.823 1.00 0.00 WAT +ATOM 57528 H1 TIP3 17073 -16.689 5.107 35.471 1.00 0.00 WAT +ATOM 57529 H2 TIP3 17073 -16.119 5.647 36.788 1.00 0.00 WAT +ATOM 57530 OH2 TIP3 17074 -11.764 -1.527 33.570 1.00 0.00 WAT +ATOM 57531 H1 TIP3 17074 -12.746 -1.575 33.563 1.00 0.00 WAT +ATOM 57532 H2 TIP3 17074 -11.575 -0.827 34.229 1.00 0.00 WAT +ATOM 57533 OH2 TIP3 17075 -11.086 0.276 35.631 1.00 0.00 WAT +ATOM 57534 H1 TIP3 17075 -10.218 0.105 36.049 1.00 0.00 WAT +ATOM 57535 H2 TIP3 17075 -10.958 1.156 35.235 1.00 0.00 WAT +ATOM 57536 OH2 TIP3 17076 -20.923 4.740 41.748 1.00 0.00 WAT +ATOM 57537 H1 TIP3 17076 -20.343 4.843 40.981 1.00 0.00 WAT +ATOM 57538 H2 TIP3 17076 -20.442 4.042 42.233 1.00 0.00 WAT +ATOM 57539 OH2 TIP3 17077 -13.535 6.984 34.721 1.00 0.00 WAT +ATOM 57540 H1 TIP3 17077 -13.786 7.842 35.122 1.00 0.00 WAT +ATOM 57541 H2 TIP3 17077 -14.275 6.426 35.020 1.00 0.00 WAT +ATOM 57542 OH2 TIP3 17078 -6.489 0.254 35.392 1.00 0.00 WAT +ATOM 57543 H1 TIP3 17078 -7.050 0.066 34.616 1.00 0.00 WAT +ATOM 57544 H2 TIP3 17078 -6.368 1.216 35.260 1.00 0.00 WAT +ATOM 57545 OH2 TIP3 17079 -8.357 8.905 35.465 1.00 0.00 WAT +ATOM 57546 H1 TIP3 17079 -8.521 8.152 36.053 1.00 0.00 WAT +ATOM 57547 H2 TIP3 17079 -7.741 8.547 34.810 1.00 0.00 WAT +ATOM 57548 OH2 TIP3 17080 -11.155 4.362 42.481 1.00 0.00 WAT +ATOM 57549 H1 TIP3 17080 -12.057 4.059 42.687 1.00 0.00 WAT +ATOM 57550 H2 TIP3 17080 -10.789 3.592 42.003 1.00 0.00 WAT +ATOM 57551 OH2 TIP3 17081 -18.395 8.273 38.678 1.00 0.00 WAT +ATOM 57552 H1 TIP3 17081 -17.997 9.155 38.743 1.00 0.00 WAT +ATOM 57553 H2 TIP3 17081 -19.337 8.484 38.659 1.00 0.00 WAT +ATOM 57554 OH2 TIP3 17082 -22.425 3.100 33.498 1.00 0.00 WAT +ATOM 57555 H1 TIP3 17082 -21.845 3.767 33.909 1.00 0.00 WAT +ATOM 57556 H2 TIP3 17082 -23.295 3.353 33.863 1.00 0.00 WAT +ATOM 57557 OH2 TIP3 17083 -16.578 5.991 38.598 1.00 0.00 WAT +ATOM 57558 H1 TIP3 17083 -16.928 6.898 38.612 1.00 0.00 WAT +ATOM 57559 H2 TIP3 17083 -17.341 5.485 38.925 1.00 0.00 WAT +ATOM 57560 OH2 TIP3 17084 -17.959 11.214 38.114 1.00 0.00 WAT +ATOM 57561 H1 TIP3 17084 -18.918 11.349 38.197 1.00 0.00 WAT +ATOM 57562 H2 TIP3 17084 -17.619 12.090 38.384 1.00 0.00 WAT +ATOM 57563 OH2 TIP3 17085 -10.857 7.286 33.356 1.00 0.00 WAT +ATOM 57564 H1 TIP3 17085 -10.409 6.846 34.102 1.00 0.00 WAT +ATOM 57565 H2 TIP3 17085 -11.777 7.147 33.640 1.00 0.00 WAT +ATOM 57566 OH2 TIP3 17086 -5.962 11.652 33.641 1.00 0.00 WAT +ATOM 57567 H1 TIP3 17086 -5.252 12.318 33.719 1.00 0.00 WAT +ATOM 57568 H2 TIP3 17086 -6.724 12.172 33.942 1.00 0.00 WAT +ATOM 57569 OH2 TIP3 17087 -9.872 5.894 35.719 1.00 0.00 WAT +ATOM 57570 H1 TIP3 17087 -10.138 5.197 36.342 1.00 0.00 WAT +ATOM 57571 H2 TIP3 17087 -8.906 5.907 35.835 1.00 0.00 WAT +ATOM 57572 OH2 TIP3 17088 -16.598 8.314 31.893 1.00 0.00 WAT +ATOM 57573 H1 TIP3 17088 -16.264 7.491 31.488 1.00 0.00 WAT +ATOM 57574 H2 TIP3 17088 -17.013 7.966 32.703 1.00 0.00 WAT +ATOM 57575 OH2 TIP3 17089 -17.734 7.868 34.623 1.00 0.00 WAT +ATOM 57576 H1 TIP3 17089 -17.260 7.334 35.277 1.00 0.00 WAT +ATOM 57577 H2 TIP3 17089 -17.609 8.775 34.975 1.00 0.00 WAT +ATOM 57578 OH2 TIP3 17090 -20.908 5.311 35.031 1.00 0.00 WAT +ATOM 57579 H1 TIP3 17090 -21.639 5.678 35.568 1.00 0.00 WAT +ATOM 57580 H2 TIP3 17090 -20.438 6.125 34.787 1.00 0.00 WAT +ATOM 57581 OH2 TIP3 17091 -12.564 -2.803 36.321 1.00 0.00 WAT +ATOM 57582 H1 TIP3 17091 -12.412 -2.234 35.554 1.00 0.00 WAT +ATOM 57583 H2 TIP3 17091 -12.162 -2.288 37.044 1.00 0.00 WAT +ATOM 57584 OH2 TIP3 17092 -14.818 9.462 35.262 1.00 0.00 WAT +ATOM 57585 H1 TIP3 17092 -15.616 9.973 35.478 1.00 0.00 WAT +ATOM 57586 H2 TIP3 17092 -14.421 9.999 34.566 1.00 0.00 WAT +ATOM 57587 OH2 TIP3 17093 -15.197 -0.774 37.265 1.00 0.00 WAT +ATOM 57588 H1 TIP3 17093 -14.428 -0.195 37.444 1.00 0.00 WAT +ATOM 57589 H2 TIP3 17093 -15.500 -0.985 38.171 1.00 0.00 WAT +ATOM 57590 OH2 TIP3 17094 -14.659 -3.774 38.167 1.00 0.00 WAT +ATOM 57591 H1 TIP3 17094 -14.749 -3.169 38.924 1.00 0.00 WAT +ATOM 57592 H2 TIP3 17094 -13.872 -3.399 37.726 1.00 0.00 WAT +ATOM 57593 OH2 TIP3 17095 -17.599 10.566 35.270 1.00 0.00 WAT +ATOM 57594 H1 TIP3 17095 -17.660 11.391 34.743 1.00 0.00 WAT +ATOM 57595 H2 TIP3 17095 -17.747 10.895 36.177 1.00 0.00 WAT +ATOM 57596 OH2 TIP3 17096 -18.871 -2.764 34.733 1.00 0.00 WAT +ATOM 57597 H1 TIP3 17096 -18.858 -2.020 35.361 1.00 0.00 WAT +ATOM 57598 H2 TIP3 17096 -18.070 -3.253 35.010 1.00 0.00 WAT +ATOM 57599 OH2 TIP3 17097 -10.107 2.018 41.353 1.00 0.00 WAT +ATOM 57600 H1 TIP3 17097 -10.896 1.520 41.077 1.00 0.00 WAT +ATOM 57601 H2 TIP3 17097 -9.540 1.298 41.720 1.00 0.00 WAT +ATOM 57602 OH2 TIP3 17098 -20.475 8.131 33.767 1.00 0.00 WAT +ATOM 57603 H1 TIP3 17098 -19.755 8.621 34.199 1.00 0.00 WAT +ATOM 57604 H2 TIP3 17098 -19.954 7.592 33.152 1.00 0.00 WAT +ATOM 57605 OH2 TIP3 17099 -22.302 0.314 32.904 1.00 0.00 WAT +ATOM 57606 H1 TIP3 17099 -22.221 1.251 33.165 1.00 0.00 WAT +ATOM 57607 H2 TIP3 17099 -23.195 0.281 32.541 1.00 0.00 WAT +ATOM 57608 OH2 TIP3 17100 -8.806 11.786 43.175 1.00 0.00 WAT +ATOM 57609 H1 TIP3 17100 -9.082 12.240 42.363 1.00 0.00 WAT +ATOM 57610 H2 TIP3 17100 -7.935 11.445 42.904 1.00 0.00 WAT +ATOM 57611 OH2 TIP3 17101 -21.436 -4.706 41.716 1.00 0.00 WAT +ATOM 57612 H1 TIP3 17101 -21.594 -4.672 40.750 1.00 0.00 WAT +ATOM 57613 H2 TIP3 17101 -21.791 -5.571 41.959 1.00 0.00 WAT +ATOM 57614 OH2 TIP3 17102 -22.536 8.794 37.974 1.00 0.00 WAT +ATOM 57615 H1 TIP3 17102 -23.288 9.328 38.264 1.00 0.00 WAT +ATOM 57616 H2 TIP3 17102 -22.146 9.356 37.287 1.00 0.00 WAT +ATOM 57617 OH2 TIP3 17103 -14.377 10.070 32.387 1.00 0.00 WAT +ATOM 57618 H1 TIP3 17103 -15.127 9.440 32.360 1.00 0.00 WAT +ATOM 57619 H2 TIP3 17103 -13.661 9.493 32.080 1.00 0.00 WAT +ATOM 57620 OH2 TIP3 17104 -9.755 9.939 32.513 1.00 0.00 WAT +ATOM 57621 H1 TIP3 17104 -9.586 9.170 33.084 1.00 0.00 WAT +ATOM 57622 H2 TIP3 17104 -8.926 9.994 32.009 1.00 0.00 WAT +ATOM 57623 OH2 TIP3 17105 -18.933 5.781 32.268 1.00 0.00 WAT +ATOM 57624 H1 TIP3 17105 -18.804 5.196 33.034 1.00 0.00 WAT +ATOM 57625 H2 TIP3 17105 -18.062 5.711 31.835 1.00 0.00 WAT +ATOM 57626 OH2 TIP3 17106 -13.718 7.118 31.884 1.00 0.00 WAT +ATOM 57627 H1 TIP3 17106 -13.735 7.062 32.858 1.00 0.00 WAT +ATOM 57628 H2 TIP3 17106 -13.783 6.165 31.662 1.00 0.00 WAT +ATOM 57629 OH2 TIP3 17107 -17.855 3.869 34.613 1.00 0.00 WAT +ATOM 57630 H1 TIP3 17107 -18.478 3.368 35.161 1.00 0.00 WAT +ATOM 57631 H2 TIP3 17107 -17.560 3.178 33.984 1.00 0.00 WAT +ATOM 57632 OH2 TIP3 17108 -16.897 1.892 32.882 1.00 0.00 WAT +ATOM 57633 H1 TIP3 17108 -16.950 1.923 31.913 1.00 0.00 WAT +ATOM 57634 H2 TIP3 17108 -15.933 1.840 33.028 1.00 0.00 WAT +ATOM 57635 OH2 TIP3 17109 -7.412 4.390 32.206 1.00 0.00 WAT +ATOM 57636 H1 TIP3 17109 -7.457 3.965 31.338 1.00 0.00 WAT +ATOM 57637 H2 TIP3 17109 -7.468 5.336 31.959 1.00 0.00 WAT +ATOM 57638 OH2 TIP3 17110 -17.127 13.092 33.955 1.00 0.00 WAT +ATOM 57639 H1 TIP3 17110 -16.179 13.234 34.089 1.00 0.00 WAT +ATOM 57640 H2 TIP3 17110 -17.272 13.586 33.137 1.00 0.00 WAT +ATOM 57641 OH2 TIP3 17111 -23.234 7.516 33.496 1.00 0.00 WAT +ATOM 57642 H1 TIP3 17111 -22.282 7.702 33.643 1.00 0.00 WAT +ATOM 57643 H2 TIP3 17111 -23.202 6.726 32.921 1.00 0.00 WAT +ATOM 57644 OH2 TIP3 17112 -24.185 12.665 38.218 1.00 0.00 WAT +ATOM 57645 H1 TIP3 17112 -24.940 12.333 37.696 1.00 0.00 WAT +ATOM 57646 H2 TIP3 17112 -24.136 12.003 38.936 1.00 0.00 WAT +ATOM 57647 OH2 TIP3 17113 -23.824 10.696 40.205 1.00 0.00 WAT +ATOM 57648 H1 TIP3 17113 -24.142 9.821 40.485 1.00 0.00 WAT +ATOM 57649 H2 TIP3 17113 -23.488 11.007 41.065 1.00 0.00 WAT +ATOM 57650 OH2 TIP3 17114 -6.189 11.616 42.833 1.00 0.00 WAT +ATOM 57651 H1 TIP3 17114 -6.611 12.150 43.522 1.00 0.00 WAT +ATOM 57652 H2 TIP3 17114 -5.495 12.234 42.558 1.00 0.00 WAT +ATOM 57653 OH2 TIP3 17115 -7.005 5.769 36.131 1.00 0.00 WAT +ATOM 57654 H1 TIP3 17115 -6.098 6.100 36.286 1.00 0.00 WAT +ATOM 57655 H2 TIP3 17115 -7.086 5.137 36.863 1.00 0.00 WAT +ATOM 57656 OH2 TIP3 17116 -6.442 3.650 38.165 1.00 0.00 WAT +ATOM 57657 H1 TIP3 17116 -7.198 3.161 38.545 1.00 0.00 WAT +ATOM 57658 H2 TIP3 17116 -5.903 3.860 38.944 1.00 0.00 WAT +ATOM 57659 OH2 TIP3 17117 -6.883 6.019 43.286 1.00 0.00 WAT +ATOM 57660 H1 TIP3 17117 -6.210 5.565 42.768 1.00 0.00 WAT +ATOM 57661 H2 TIP3 17117 -6.903 6.910 42.912 1.00 0.00 WAT +ATOM 57662 OH2 TIP3 17118 -6.305 3.161 34.697 1.00 0.00 WAT +ATOM 57663 H1 TIP3 17118 -6.802 3.454 33.910 1.00 0.00 WAT +ATOM 57664 H2 TIP3 17118 -6.403 3.932 35.276 1.00 0.00 WAT +ATOM 57665 OH2 TIP3 17119 -8.047 0.751 32.943 1.00 0.00 WAT +ATOM 57666 H1 TIP3 17119 -7.742 1.318 32.222 1.00 0.00 WAT +ATOM 57667 H2 TIP3 17119 -8.266 -0.084 32.483 1.00 0.00 WAT +ATOM 57668 OH2 TIP3 17120 -8.630 1.876 38.925 1.00 0.00 WAT +ATOM 57669 H1 TIP3 17120 -8.673 0.916 38.785 1.00 0.00 WAT +ATOM 57670 H2 TIP3 17120 -8.990 1.966 39.829 1.00 0.00 WAT +ATOM 57671 OH2 TIP3 17121 -23.761 3.673 42.597 1.00 0.00 WAT +ATOM 57672 H1 TIP3 17121 -23.390 4.012 41.766 1.00 0.00 WAT +ATOM 57673 H2 TIP3 17121 -22.988 3.695 43.188 1.00 0.00 WAT +ATOM 57674 OH2 TIP3 17122 -8.552 -1.909 32.160 1.00 0.00 WAT +ATOM 57675 H1 TIP3 17122 -7.972 -2.426 32.746 1.00 0.00 WAT +ATOM 57676 H2 TIP3 17122 -9.349 -2.455 32.081 1.00 0.00 WAT +ATOM 57677 OH2 TIP3 17123 -8.737 -0.639 37.091 1.00 0.00 WAT +ATOM 57678 H1 TIP3 17123 -8.496 -1.585 37.159 1.00 0.00 WAT +ATOM 57679 H2 TIP3 17123 -7.926 -0.278 36.691 1.00 0.00 WAT +ATOM 57680 OH2 TIP3 17124 -8.498 0.100 42.236 1.00 0.00 WAT +ATOM 57681 H1 TIP3 17124 -7.547 0.000 42.405 1.00 0.00 WAT +ATOM 57682 H2 TIP3 17124 -8.895 -0.262 43.050 1.00 0.00 WAT +ATOM 57683 OH2 TIP3 17125 -8.255 -3.466 37.073 1.00 0.00 WAT +ATOM 57684 H1 TIP3 17125 -8.230 -3.736 38.009 1.00 0.00 WAT +ATOM 57685 H2 TIP3 17125 -9.067 -3.918 36.765 1.00 0.00 WAT +ATOM 57686 OH2 TIP3 17126 -23.003 -2.114 41.908 1.00 0.00 WAT +ATOM 57687 H1 TIP3 17126 -22.741 -3.041 42.033 1.00 0.00 WAT +ATOM 57688 H2 TIP3 17126 -22.457 -1.689 42.578 1.00 0.00 WAT +ATOM 57689 OH2 TIP3 17127 -24.609 0.731 43.027 1.00 0.00 WAT +ATOM 57690 H1 TIP3 17127 -24.193 0.371 42.230 1.00 0.00 WAT +ATOM 57691 H2 TIP3 17127 -24.347 1.672 42.972 1.00 0.00 WAT +ATOM 57692 OH2 TIP3 17128 -6.306 -2.976 33.745 1.00 0.00 WAT +ATOM 57693 H1 TIP3 17128 -5.977 -3.773 33.299 1.00 0.00 WAT +ATOM 57694 H2 TIP3 17128 -5.494 -2.449 33.840 1.00 0.00 WAT +ATOM 57695 OH2 TIP3 17129 -24.053 -3.253 36.920 1.00 0.00 WAT +ATOM 57696 H1 TIP3 17129 -25.005 -3.184 36.731 1.00 0.00 WAT +ATOM 57697 H2 TIP3 17129 -23.655 -2.629 36.283 1.00 0.00 WAT +ATOM 57698 OH2 TIP3 17130 -9.460 11.941 38.702 1.00 0.00 WAT +ATOM 57699 H1 TIP3 17130 -8.695 11.569 38.238 1.00 0.00 WAT +ATOM 57700 H2 TIP3 17130 -9.048 12.455 39.427 1.00 0.00 WAT +ATOM 57701 OH2 TIP3 17131 -22.451 11.136 42.602 1.00 0.00 WAT +ATOM 57702 H1 TIP3 17131 -22.108 11.120 43.520 1.00 0.00 WAT +ATOM 57703 H2 TIP3 17131 -21.621 10.907 42.133 1.00 0.00 WAT +ATOM 57704 OH2 TIP3 17132 -20.200 10.198 41.168 1.00 0.00 WAT +ATOM 57705 H1 TIP3 17132 -20.312 9.260 41.426 1.00 0.00 WAT +ATOM 57706 H2 TIP3 17132 -19.284 10.369 41.469 1.00 0.00 WAT +ATOM 57707 OH2 TIP3 17133 -17.506 10.677 42.129 1.00 0.00 WAT +ATOM 57708 H1 TIP3 17133 -17.204 9.804 41.840 1.00 0.00 WAT +ATOM 57709 H2 TIP3 17133 -17.386 10.604 43.083 1.00 0.00 WAT +ATOM 57710 OH2 TIP3 17134 -14.153 -3.317 41.247 1.00 0.00 WAT +ATOM 57711 H1 TIP3 17134 -14.740 -4.045 41.534 1.00 0.00 WAT +ATOM 57712 H2 TIP3 17134 -13.459 -3.813 40.762 1.00 0.00 WAT +ATOM 57713 OH2 TIP3 17135 -9.194 -4.574 41.280 1.00 0.00 WAT +ATOM 57714 H1 TIP3 17135 -8.410 -5.095 41.504 1.00 0.00 WAT +ATOM 57715 H2 TIP3 17135 -9.903 -5.210 41.403 1.00 0.00 WAT +ATOM 57716 OH2 TIP3 17136 -6.916 -4.334 39.527 1.00 0.00 WAT +ATOM 57717 H1 TIP3 17136 -6.178 -4.493 38.936 1.00 0.00 WAT +ATOM 57718 H2 TIP3 17136 -6.794 -3.404 39.784 1.00 0.00 WAT +ATOM 57719 OH2 TIP3 17137 -21.763 -4.696 38.876 1.00 0.00 WAT +ATOM 57720 H1 TIP3 17137 -22.619 -4.845 38.428 1.00 0.00 WAT +ATOM 57721 H2 TIP3 17137 -21.329 -5.558 38.737 1.00 0.00 WAT +ATOM 57722 OH2 TIP3 17138 -22.954 -5.207 34.767 1.00 0.00 WAT +ATOM 57723 H1 TIP3 17138 -22.445 -4.547 34.263 1.00 0.00 WAT +ATOM 57724 H2 TIP3 17138 -23.353 -4.668 35.469 1.00 0.00 WAT +ATOM 57725 OH2 TIP3 17139 -17.259 -4.928 38.904 1.00 0.00 WAT +ATOM 57726 H1 TIP3 17139 -16.365 -4.592 38.725 1.00 0.00 WAT +ATOM 57727 H2 TIP3 17139 -17.231 -5.034 39.865 1.00 0.00 WAT +ATOM 57728 OH2 TIP3 17140 -11.999 -4.780 39.973 1.00 0.00 WAT +ATOM 57729 H1 TIP3 17140 -11.445 -5.029 39.225 1.00 0.00 WAT +ATOM 57730 H2 TIP3 17140 -12.141 -5.632 40.416 1.00 0.00 WAT +ATOM 57731 OH2 TIP3 17141 -10.576 -4.843 36.143 1.00 0.00 WAT +ATOM 57732 H1 TIP3 17141 -11.382 -4.297 36.049 1.00 0.00 WAT +ATOM 57733 H2 TIP3 17141 -10.969 -5.723 36.275 1.00 0.00 WAT +ATOM 57734 OH2 TIP3 17142 -22.749 10.746 35.911 1.00 0.00 WAT +ATOM 57735 H1 TIP3 17142 -23.413 10.643 35.213 1.00 0.00 WAT +ATOM 57736 H2 TIP3 17142 -22.784 11.704 36.043 1.00 0.00 WAT +ATOM 57737 OH2 TIP3 17143 -21.229 -3.376 33.199 1.00 0.00 WAT +ATOM 57738 H1 TIP3 17143 -20.632 -3.957 32.697 1.00 0.00 WAT +ATOM 57739 H2 TIP3 17143 -20.632 -3.060 33.905 1.00 0.00 WAT +ATOM 57740 OH2 TIP3 17144 -16.139 -3.205 35.826 1.00 0.00 WAT +ATOM 57741 H1 TIP3 17144 -15.770 -3.763 36.531 1.00 0.00 WAT +ATOM 57742 H2 TIP3 17144 -15.958 -2.330 36.204 1.00 0.00 WAT +ATOM 57743 OH2 TIP3 17145 -14.095 12.591 34.040 1.00 0.00 WAT +ATOM 57744 H1 TIP3 17145 -13.119 12.589 34.018 1.00 0.00 WAT +ATOM 57745 H2 TIP3 17145 -14.289 11.919 33.367 1.00 0.00 WAT +ATOM 57746 OH2 TIP3 17146 -7.298 11.580 36.540 1.00 0.00 WAT +ATOM 57747 H1 TIP3 17146 -7.669 10.773 36.134 1.00 0.00 WAT +ATOM 57748 H2 TIP3 17146 -7.664 12.278 35.980 1.00 0.00 WAT +ATOM 57749 OH2 TIP3 17147 -21.336 11.675 32.714 1.00 0.00 WAT +ATOM 57750 H1 TIP3 17147 -21.601 11.983 33.594 1.00 0.00 WAT +ATOM 57751 H2 TIP3 17147 -20.548 11.141 32.907 1.00 0.00 WAT +ATOM 57752 OH2 TIP3 17148 6.355 4.304 38.595 1.00 0.00 WAT +ATOM 57753 H1 TIP3 17148 6.283 5.251 38.815 1.00 0.00 WAT +ATOM 57754 H2 TIP3 17148 5.451 4.068 38.358 1.00 0.00 WAT +ATOM 57755 OH2 TIP3 17149 5.533 3.206 43.031 1.00 0.00 WAT +ATOM 57756 H1 TIP3 17149 5.199 2.635 43.749 1.00 0.00 WAT +ATOM 57757 H2 TIP3 17149 5.653 2.557 42.327 1.00 0.00 WAT +ATOM 57758 OH2 TIP3 17150 8.655 6.181 40.348 1.00 0.00 WAT +ATOM 57759 H1 TIP3 17150 8.227 5.520 40.924 1.00 0.00 WAT +ATOM 57760 H2 TIP3 17150 9.088 6.715 41.042 1.00 0.00 WAT +ATOM 57761 OH2 TIP3 17151 -1.830 7.463 42.524 1.00 0.00 WAT +ATOM 57762 H1 TIP3 17151 -2.158 6.696 42.041 1.00 0.00 WAT +ATOM 57763 H2 TIP3 17151 -0.867 7.363 42.388 1.00 0.00 WAT +ATOM 57764 OH2 TIP3 17152 -4.930 1.211 37.845 1.00 0.00 WAT +ATOM 57765 H1 TIP3 17152 -5.410 2.057 37.808 1.00 0.00 WAT +ATOM 57766 H2 TIP3 17152 -5.573 0.609 37.452 1.00 0.00 WAT +ATOM 57767 OH2 TIP3 17153 -3.856 3.634 39.986 1.00 0.00 WAT +ATOM 57768 H1 TIP3 17153 -3.864 2.698 40.256 1.00 0.00 WAT +ATOM 57769 H2 TIP3 17153 -3.306 3.596 39.191 1.00 0.00 WAT +ATOM 57770 OH2 TIP3 17154 5.624 11.603 41.135 1.00 0.00 WAT +ATOM 57771 H1 TIP3 17154 6.242 10.924 40.806 1.00 0.00 WAT +ATOM 57772 H2 TIP3 17154 5.369 11.252 42.000 1.00 0.00 WAT +ATOM 57773 OH2 TIP3 17155 3.026 5.453 42.692 1.00 0.00 WAT +ATOM 57774 H1 TIP3 17155 3.666 5.201 42.016 1.00 0.00 WAT +ATOM 57775 H2 TIP3 17155 3.661 5.887 43.308 1.00 0.00 WAT +ATOM 57776 OH2 TIP3 17156 6.396 0.264 43.260 1.00 0.00 WAT +ATOM 57777 H1 TIP3 17156 6.917 -0.543 43.410 1.00 0.00 WAT +ATOM 57778 H2 TIP3 17156 6.582 0.442 42.322 1.00 0.00 WAT +ATOM 57779 OH2 TIP3 17157 -0.400 -1.678 40.438 1.00 0.00 WAT +ATOM 57780 H1 TIP3 17157 -0.151 -0.846 39.992 1.00 0.00 WAT +ATOM 57781 H2 TIP3 17157 -0.675 -2.207 39.663 1.00 0.00 WAT +ATOM 57782 OH2 TIP3 17158 7.537 -1.449 38.672 1.00 0.00 WAT +ATOM 57783 H1 TIP3 17158 8.073 -1.852 39.399 1.00 0.00 WAT +ATOM 57784 H2 TIP3 17158 8.246 -1.049 38.149 1.00 0.00 WAT +ATOM 57785 OH2 TIP3 17159 -3.331 0.971 40.989 1.00 0.00 WAT +ATOM 57786 H1 TIP3 17159 -2.994 0.257 41.535 1.00 0.00 WAT +ATOM 57787 H2 TIP3 17159 -3.337 0.535 40.115 1.00 0.00 WAT +ATOM 57788 OH2 TIP3 17160 5.922 7.108 37.981 1.00 0.00 WAT +ATOM 57789 H1 TIP3 17160 5.799 6.828 37.071 1.00 0.00 WAT +ATOM 57790 H2 TIP3 17160 5.456 7.967 38.019 1.00 0.00 WAT +ATOM 57791 OH2 TIP3 17161 9.261 -2.050 40.683 1.00 0.00 WAT +ATOM 57792 H1 TIP3 17161 9.263 -2.963 41.061 1.00 0.00 WAT +ATOM 57793 H2 TIP3 17161 9.817 -1.607 41.342 1.00 0.00 WAT +ATOM 57794 OH2 TIP3 17162 -1.126 -0.815 42.979 1.00 0.00 WAT +ATOM 57795 H1 TIP3 17162 -1.381 0.093 42.798 1.00 0.00 WAT +ATOM 57796 H2 TIP3 17162 -1.131 -1.239 42.095 1.00 0.00 WAT +ATOM 57797 OH2 TIP3 17163 -4.268 6.588 36.269 1.00 0.00 WAT +ATOM 57798 H1 TIP3 17163 -4.422 7.078 35.442 1.00 0.00 WAT +ATOM 57799 H2 TIP3 17163 -4.078 7.301 36.916 1.00 0.00 WAT +ATOM 57800 OH2 TIP3 17164 9.449 7.458 42.638 1.00 0.00 WAT +ATOM 57801 H1 TIP3 17164 8.929 7.211 43.426 1.00 0.00 WAT +ATOM 57802 H2 TIP3 17164 10.200 7.909 43.047 1.00 0.00 WAT +ATOM 57803 OH2 TIP3 17165 2.598 -5.300 41.758 1.00 0.00 WAT +ATOM 57804 H1 TIP3 17165 2.604 -6.269 41.825 1.00 0.00 WAT +ATOM 57805 H2 TIP3 17165 1.774 -5.072 42.229 1.00 0.00 WAT +ATOM 57806 OH2 TIP3 17166 7.510 10.009 39.611 1.00 0.00 WAT +ATOM 57807 H1 TIP3 17166 7.968 9.198 39.307 1.00 0.00 WAT +ATOM 57808 H2 TIP3 17166 8.198 10.684 39.452 1.00 0.00 WAT +ATOM 57809 OH2 TIP3 17167 8.951 7.870 38.221 1.00 0.00 WAT +ATOM 57810 H1 TIP3 17167 8.482 7.393 37.524 1.00 0.00 WAT +ATOM 57811 H2 TIP3 17167 8.921 7.207 38.944 1.00 0.00 WAT +ATOM 57812 OH2 TIP3 17168 4.596 3.530 36.323 1.00 0.00 WAT +ATOM 57813 H1 TIP3 17168 4.037 4.128 35.804 1.00 0.00 WAT +ATOM 57814 H2 TIP3 17168 5.436 3.577 35.832 1.00 0.00 WAT +ATOM 57815 OH2 TIP3 17169 5.031 1.743 33.472 1.00 0.00 WAT +ATOM 57816 H1 TIP3 17169 5.725 2.067 34.075 1.00 0.00 WAT +ATOM 57817 H2 TIP3 17169 5.558 1.186 32.879 1.00 0.00 WAT +ATOM 57818 OH2 TIP3 17170 8.587 3.476 37.327 1.00 0.00 WAT +ATOM 57819 H1 TIP3 17170 7.862 3.821 37.901 1.00 0.00 WAT +ATOM 57820 H2 TIP3 17170 9.058 2.890 37.952 1.00 0.00 WAT +ATOM 57821 OH2 TIP3 17171 0.801 7.219 41.631 1.00 0.00 WAT +ATOM 57822 H1 TIP3 17171 1.113 7.229 40.707 1.00 0.00 WAT +ATOM 57823 H2 TIP3 17171 1.569 7.591 42.106 1.00 0.00 WAT +ATOM 57824 OH2 TIP3 17172 7.198 3.057 34.965 1.00 0.00 WAT +ATOM 57825 H1 TIP3 17172 7.770 3.257 35.737 1.00 0.00 WAT +ATOM 57826 H2 TIP3 17172 7.698 3.532 34.255 1.00 0.00 WAT +ATOM 57827 OH2 TIP3 17173 4.575 9.607 38.555 1.00 0.00 WAT +ATOM 57828 H1 TIP3 17173 5.183 9.909 39.243 1.00 0.00 WAT +ATOM 57829 H2 TIP3 17173 4.196 10.434 38.218 1.00 0.00 WAT +ATOM 57830 OH2 TIP3 17174 10.662 -5.244 34.433 1.00 0.00 WAT +ATOM 57831 H1 TIP3 17174 9.794 -5.146 34.864 1.00 0.00 WAT +ATOM 57832 H2 TIP3 17174 11.017 -4.343 34.490 1.00 0.00 WAT +ATOM 57833 OH2 TIP3 17175 -1.212 3.281 37.141 1.00 0.00 WAT +ATOM 57834 H1 TIP3 17175 -1.318 3.983 36.480 1.00 0.00 WAT +ATOM 57835 H2 TIP3 17175 -1.661 2.536 36.727 1.00 0.00 WAT +ATOM 57836 OH2 TIP3 17176 12.041 8.888 32.978 1.00 0.00 WAT +ATOM 57837 H1 TIP3 17176 12.203 9.822 33.218 1.00 0.00 WAT +ATOM 57838 H2 TIP3 17176 12.910 8.482 33.169 1.00 0.00 WAT +ATOM 57839 OH2 TIP3 17177 -5.014 8.574 42.393 1.00 0.00 WAT +ATOM 57840 H1 TIP3 17177 -4.062 8.579 42.537 1.00 0.00 WAT +ATOM 57841 H2 TIP3 17177 -5.317 9.401 42.799 1.00 0.00 WAT +ATOM 57842 OH2 TIP3 17178 4.238 12.309 36.990 1.00 0.00 WAT +ATOM 57843 H1 TIP3 17178 4.241 12.415 36.019 1.00 0.00 WAT +ATOM 57844 H2 TIP3 17178 4.252 13.227 37.301 1.00 0.00 WAT +ATOM 57845 OH2 TIP3 17179 -1.982 11.385 38.584 1.00 0.00 WAT +ATOM 57846 H1 TIP3 17179 -1.815 11.034 39.478 1.00 0.00 WAT +ATOM 57847 H2 TIP3 17179 -2.861 11.031 38.399 1.00 0.00 WAT +ATOM 57848 OH2 TIP3 17180 7.554 11.771 34.189 1.00 0.00 WAT +ATOM 57849 H1 TIP3 17180 8.106 11.110 33.727 1.00 0.00 WAT +ATOM 57850 H2 TIP3 17180 7.478 11.372 35.079 1.00 0.00 WAT +ATOM 57851 OH2 TIP3 17181 6.916 11.169 36.966 1.00 0.00 WAT +ATOM 57852 H1 TIP3 17181 5.969 11.339 37.116 1.00 0.00 WAT +ATOM 57853 H2 TIP3 17181 7.085 10.464 37.614 1.00 0.00 WAT +ATOM 57854 OH2 TIP3 17182 0.175 -4.385 42.919 1.00 0.00 WAT +ATOM 57855 H1 TIP3 17182 -0.652 -4.515 42.422 1.00 0.00 WAT +ATOM 57856 H2 TIP3 17182 0.185 -3.429 43.076 1.00 0.00 WAT +ATOM 57857 OH2 TIP3 17183 8.769 4.088 32.955 1.00 0.00 WAT +ATOM 57858 H1 TIP3 17183 8.572 3.916 32.014 1.00 0.00 WAT +ATOM 57859 H2 TIP3 17183 9.710 4.334 32.900 1.00 0.00 WAT +ATOM 57860 OH2 TIP3 17184 4.389 -2.123 33.445 1.00 0.00 WAT +ATOM 57861 H1 TIP3 17184 3.930 -2.293 34.279 1.00 0.00 WAT +ATOM 57862 H2 TIP3 17184 4.007 -2.816 32.880 1.00 0.00 WAT +ATOM 57863 OH2 TIP3 17185 0.155 0.771 39.051 1.00 0.00 WAT +ATOM 57864 H1 TIP3 17185 -0.772 0.768 38.769 1.00 0.00 WAT +ATOM 57865 H2 TIP3 17185 0.603 0.622 38.198 1.00 0.00 WAT +ATOM 57866 OH2 TIP3 17186 5.649 1.255 37.659 1.00 0.00 WAT +ATOM 57867 H1 TIP3 17186 5.207 2.010 37.220 1.00 0.00 WAT +ATOM 57868 H2 TIP3 17186 6.346 1.041 37.014 1.00 0.00 WAT +ATOM 57869 OH2 TIP3 17187 6.423 0.668 40.405 1.00 0.00 WAT +ATOM 57870 H1 TIP3 17187 6.158 1.116 39.575 1.00 0.00 WAT +ATOM 57871 H2 TIP3 17187 6.649 -0.207 40.033 1.00 0.00 WAT +ATOM 57872 OH2 TIP3 17188 0.827 -1.611 32.382 1.00 0.00 WAT +ATOM 57873 H1 TIP3 17188 0.473 -2.043 33.183 1.00 0.00 WAT +ATOM 57874 H2 TIP3 17188 0.058 -1.570 31.803 1.00 0.00 WAT +ATOM 57875 OH2 TIP3 17189 -5.606 -1.687 39.410 1.00 0.00 WAT +ATOM 57876 H1 TIP3 17189 -5.095 -1.849 40.223 1.00 0.00 WAT +ATOM 57877 H2 TIP3 17189 -5.153 -2.215 38.738 1.00 0.00 WAT +ATOM 57878 OH2 TIP3 17190 -4.131 -1.394 35.136 1.00 0.00 WAT +ATOM 57879 H1 TIP3 17190 -3.573 -0.911 34.491 1.00 0.00 WAT +ATOM 57880 H2 TIP3 17190 -4.821 -0.731 35.311 1.00 0.00 WAT +ATOM 57881 OH2 TIP3 17191 2.752 -1.692 39.867 1.00 0.00 WAT +ATOM 57882 H1 TIP3 17191 1.829 -1.859 40.111 1.00 0.00 WAT +ATOM 57883 H2 TIP3 17191 3.236 -2.072 40.622 1.00 0.00 WAT +ATOM 57884 OH2 TIP3 17192 -2.574 -0.462 38.538 1.00 0.00 WAT +ATOM 57885 H1 TIP3 17192 -3.399 -0.240 38.076 1.00 0.00 WAT +ATOM 57886 H2 TIP3 17192 -2.244 -1.240 38.050 1.00 0.00 WAT +ATOM 57887 OH2 TIP3 17193 0.982 -0.117 36.298 1.00 0.00 WAT +ATOM 57888 H1 TIP3 17193 1.956 -0.158 36.313 1.00 0.00 WAT +ATOM 57889 H2 TIP3 17193 0.779 0.372 35.483 1.00 0.00 WAT +ATOM 57890 OH2 TIP3 17194 7.145 -3.026 42.820 1.00 0.00 WAT +ATOM 57891 H1 TIP3 17194 6.731 -2.809 43.665 1.00 0.00 WAT +ATOM 57892 H2 TIP3 17194 6.414 -3.025 42.189 1.00 0.00 WAT +ATOM 57893 OH2 TIP3 17195 -0.529 1.054 34.012 1.00 0.00 WAT +ATOM 57894 H1 TIP3 17195 -1.119 0.738 33.312 1.00 0.00 WAT +ATOM 57895 H2 TIP3 17195 0.277 1.249 33.501 1.00 0.00 WAT +ATOM 57896 OH2 TIP3 17196 3.516 0.851 41.922 1.00 0.00 WAT +ATOM 57897 H1 TIP3 17196 4.060 0.601 41.160 1.00 0.00 WAT +ATOM 57898 H2 TIP3 17196 3.682 0.105 42.515 1.00 0.00 WAT +ATOM 57899 OH2 TIP3 17197 -0.899 -2.816 37.886 1.00 0.00 WAT +ATOM 57900 H1 TIP3 17197 -1.404 -3.635 38.004 1.00 0.00 WAT +ATOM 57901 H2 TIP3 17197 -0.090 -3.131 37.457 1.00 0.00 WAT +ATOM 57902 OH2 TIP3 17198 2.808 5.712 35.841 1.00 0.00 WAT +ATOM 57903 H1 TIP3 17198 2.130 5.129 35.432 1.00 0.00 WAT +ATOM 57904 H2 TIP3 17198 2.783 5.447 36.771 1.00 0.00 WAT +ATOM 57905 OH2 TIP3 17199 7.087 -1.573 33.624 1.00 0.00 WAT +ATOM 57906 H1 TIP3 17199 6.106 -1.560 33.559 1.00 0.00 WAT +ATOM 57907 H2 TIP3 17199 7.285 -0.818 34.212 1.00 0.00 WAT +ATOM 57908 OH2 TIP3 17200 7.762 0.291 35.664 1.00 0.00 WAT +ATOM 57909 H1 TIP3 17200 8.641 0.107 36.051 1.00 0.00 WAT +ATOM 57910 H2 TIP3 17200 7.902 1.154 35.237 1.00 0.00 WAT +ATOM 57911 OH2 TIP3 17201 5.351 6.984 34.754 1.00 0.00 WAT +ATOM 57912 H1 TIP3 17201 5.086 7.861 35.096 1.00 0.00 WAT +ATOM 57913 H2 TIP3 17201 4.582 6.448 35.003 1.00 0.00 WAT +ATOM 57914 OH2 TIP3 17202 12.355 0.255 35.392 1.00 0.00 WAT +ATOM 57915 H1 TIP3 17202 11.804 0.071 34.606 1.00 0.00 WAT +ATOM 57916 H2 TIP3 17202 12.486 1.215 35.259 1.00 0.00 WAT +ATOM 57917 OH2 TIP3 17203 10.545 8.870 35.472 1.00 0.00 WAT +ATOM 57918 H1 TIP3 17203 10.358 8.098 36.026 1.00 0.00 WAT +ATOM 57919 H2 TIP3 17203 11.119 8.509 34.781 1.00 0.00 WAT +ATOM 57920 OH2 TIP3 17204 7.793 4.515 42.363 1.00 0.00 WAT +ATOM 57921 H1 TIP3 17204 6.991 4.131 42.777 1.00 0.00 WAT +ATOM 57922 H2 TIP3 17204 8.196 3.721 41.962 1.00 0.00 WAT +ATOM 57923 OH2 TIP3 17205 0.434 8.296 38.862 1.00 0.00 WAT +ATOM 57924 H1 TIP3 17205 0.902 9.137 38.707 1.00 0.00 WAT +ATOM 57925 H2 TIP3 17205 -0.464 8.542 38.610 1.00 0.00 WAT +ATOM 57926 OH2 TIP3 17206 -3.560 3.098 33.497 1.00 0.00 WAT +ATOM 57927 H1 TIP3 17206 -2.961 3.743 33.916 1.00 0.00 WAT +ATOM 57928 H2 TIP3 17206 -4.424 3.391 33.839 1.00 0.00 WAT +ATOM 57929 OH2 TIP3 17207 1.934 5.749 39.053 1.00 0.00 WAT +ATOM 57930 H1 TIP3 17207 1.969 6.658 38.715 1.00 0.00 WAT +ATOM 57931 H2 TIP3 17207 1.101 5.437 38.691 1.00 0.00 WAT +ATOM 57932 OH2 TIP3 17208 0.893 11.182 38.155 1.00 0.00 WAT +ATOM 57933 H1 TIP3 17208 -0.061 11.362 38.169 1.00 0.00 WAT +ATOM 57934 H2 TIP3 17208 1.254 12.063 38.388 1.00 0.00 WAT +ATOM 57935 OH2 TIP3 17209 8.021 7.298 33.365 1.00 0.00 WAT +ATOM 57936 H1 TIP3 17209 8.455 6.850 34.113 1.00 0.00 WAT +ATOM 57937 H2 TIP3 17209 7.095 7.154 33.620 1.00 0.00 WAT +ATOM 57938 OH2 TIP3 17210 12.762 11.559 33.903 1.00 0.00 WAT +ATOM 57939 H1 TIP3 17210 13.459 12.201 33.687 1.00 0.00 WAT +ATOM 57940 H2 TIP3 17210 11.991 12.156 33.892 1.00 0.00 WAT +ATOM 57941 OH2 TIP3 17211 8.993 5.934 35.781 1.00 0.00 WAT +ATOM 57942 H1 TIP3 17211 8.777 5.147 36.311 1.00 0.00 WAT +ATOM 57943 H2 TIP3 17211 9.966 5.907 35.809 1.00 0.00 WAT +ATOM 57944 OH2 TIP3 17212 2.248 8.358 31.925 1.00 0.00 WAT +ATOM 57945 H1 TIP3 17212 2.575 7.585 31.431 1.00 0.00 WAT +ATOM 57946 H2 TIP3 17212 1.847 7.938 32.701 1.00 0.00 WAT +ATOM 57947 OH2 TIP3 17213 1.068 7.877 34.713 1.00 0.00 WAT +ATOM 57948 H1 TIP3 17213 1.672 7.358 35.267 1.00 0.00 WAT +ATOM 57949 H2 TIP3 17213 1.280 8.798 34.970 1.00 0.00 WAT +ATOM 57950 OH2 TIP3 17214 -2.033 5.289 35.072 1.00 0.00 WAT +ATOM 57951 H1 TIP3 17214 -2.774 5.681 35.572 1.00 0.00 WAT +ATOM 57952 H2 TIP3 17214 -1.586 6.087 34.739 1.00 0.00 WAT +ATOM 57953 OH2 TIP3 17215 6.224 -2.761 36.320 1.00 0.00 WAT +ATOM 57954 H1 TIP3 17215 6.464 -2.255 35.527 1.00 0.00 WAT +ATOM 57955 H2 TIP3 17215 6.711 -2.289 37.018 1.00 0.00 WAT +ATOM 57956 OH2 TIP3 17216 4.047 9.479 35.296 1.00 0.00 WAT +ATOM 57957 H1 TIP3 17216 3.245 10.010 35.432 1.00 0.00 WAT +ATOM 57958 H2 TIP3 17216 4.436 9.928 34.527 1.00 0.00 WAT +ATOM 57959 OH2 TIP3 17217 3.621 -0.773 37.247 1.00 0.00 WAT +ATOM 57960 H1 TIP3 17217 4.419 -0.230 37.392 1.00 0.00 WAT +ATOM 57961 H2 TIP3 17217 3.356 -0.982 38.164 1.00 0.00 WAT +ATOM 57962 OH2 TIP3 17218 4.196 -3.773 38.159 1.00 0.00 WAT +ATOM 57963 H1 TIP3 17218 4.132 -3.177 38.925 1.00 0.00 WAT +ATOM 57964 H2 TIP3 17218 4.989 -3.410 37.715 1.00 0.00 WAT +ATOM 57965 OH2 TIP3 17219 1.307 10.626 35.248 1.00 0.00 WAT +ATOM 57966 H1 TIP3 17219 1.200 11.407 34.673 1.00 0.00 WAT +ATOM 57967 H2 TIP3 17219 1.161 10.997 36.136 1.00 0.00 WAT +ATOM 57968 OH2 TIP3 17220 -0.033 -2.773 34.766 1.00 0.00 WAT +ATOM 57969 H1 TIP3 17220 -0.001 -2.004 35.358 1.00 0.00 WAT +ATOM 57970 H2 TIP3 17220 0.793 -3.236 35.019 1.00 0.00 WAT +ATOM 57971 OH2 TIP3 17221 8.697 2.020 41.430 1.00 0.00 WAT +ATOM 57972 H1 TIP3 17221 7.979 1.489 41.042 1.00 0.00 WAT +ATOM 57973 H2 TIP3 17221 9.314 1.312 41.739 1.00 0.00 WAT +ATOM 57974 OH2 TIP3 17222 -1.644 8.069 33.817 1.00 0.00 WAT +ATOM 57975 H1 TIP3 17222 -0.921 8.596 34.201 1.00 0.00 WAT +ATOM 57976 H2 TIP3 17222 -1.137 7.604 33.132 1.00 0.00 WAT +ATOM 57977 OH2 TIP3 17223 -3.487 0.297 32.946 1.00 0.00 WAT +ATOM 57978 H1 TIP3 17223 -3.352 1.242 33.153 1.00 0.00 WAT +ATOM 57979 H2 TIP3 17223 -4.355 0.305 32.529 1.00 0.00 WAT +ATOM 57980 OH2 TIP3 17224 11.625 14.128 43.756 1.00 0.00 WAT +ATOM 57981 H1 TIP3 17224 11.381 14.831 43.138 1.00 0.00 WAT +ATOM 57982 H2 TIP3 17224 11.198 13.384 43.286 1.00 0.00 WAT +ATOM 57983 OH2 TIP3 17225 -2.604 -4.691 41.719 1.00 0.00 WAT +ATOM 57984 H1 TIP3 17225 -2.729 -4.693 40.748 1.00 0.00 WAT +ATOM 57985 H2 TIP3 17225 -2.928 -5.565 41.976 1.00 0.00 WAT +ATOM 57986 OH2 TIP3 17226 -3.679 8.776 37.963 1.00 0.00 WAT +ATOM 57987 H1 TIP3 17226 -4.420 9.327 38.253 1.00 0.00 WAT +ATOM 57988 H2 TIP3 17226 -3.274 9.340 37.286 1.00 0.00 WAT +ATOM 57989 OH2 TIP3 17227 4.488 10.022 32.518 1.00 0.00 WAT +ATOM 57990 H1 TIP3 17227 3.738 9.428 32.308 1.00 0.00 WAT +ATOM 57991 H2 TIP3 17227 5.180 9.621 31.969 1.00 0.00 WAT +ATOM 57992 OH2 TIP3 17228 9.120 9.964 32.560 1.00 0.00 WAT +ATOM 57993 H1 TIP3 17228 9.274 9.148 33.065 1.00 0.00 WAT +ATOM 57994 H2 TIP3 17228 9.904 9.995 31.984 1.00 0.00 WAT +ATOM 57995 OH2 TIP3 17229 -0.101 5.777 32.280 1.00 0.00 WAT +ATOM 57996 H1 TIP3 17229 0.081 5.170 33.014 1.00 0.00 WAT +ATOM 57997 H2 TIP3 17229 0.759 5.763 31.813 1.00 0.00 WAT +ATOM 57998 OH2 TIP3 17230 5.107 7.090 31.879 1.00 0.00 WAT +ATOM 57999 H1 TIP3 17230 5.125 7.076 32.850 1.00 0.00 WAT +ATOM 58000 H2 TIP3 17230 5.103 6.129 31.687 1.00 0.00 WAT +ATOM 58001 OH2 TIP3 17231 1.024 3.845 34.692 1.00 0.00 WAT +ATOM 58002 H1 TIP3 17231 0.425 3.282 35.200 1.00 0.00 WAT +ATOM 58003 H2 TIP3 17231 1.317 3.216 33.998 1.00 0.00 WAT +ATOM 58004 OH2 TIP3 17232 1.949 1.918 32.888 1.00 0.00 WAT +ATOM 58005 H1 TIP3 17232 1.911 1.947 31.915 1.00 0.00 WAT +ATOM 58006 H2 TIP3 17232 2.910 1.837 33.038 1.00 0.00 WAT +ATOM 58007 OH2 TIP3 17233 11.460 4.392 32.197 1.00 0.00 WAT +ATOM 58008 H1 TIP3 17233 11.369 3.969 31.331 1.00 0.00 WAT +ATOM 58009 H2 TIP3 17233 11.356 5.338 31.952 1.00 0.00 WAT +ATOM 58010 OH2 TIP3 17234 1.742 13.356 33.628 1.00 0.00 WAT +ATOM 58011 H1 TIP3 17234 2.677 13.313 33.864 1.00 0.00 WAT +ATOM 58012 H2 TIP3 17234 1.821 13.792 32.753 1.00 0.00 WAT +ATOM 58013 OH2 TIP3 17235 -4.378 7.501 33.513 1.00 0.00 WAT +ATOM 58014 H1 TIP3 17235 -3.425 7.713 33.635 1.00 0.00 WAT +ATOM 58015 H2 TIP3 17235 -4.334 6.730 32.913 1.00 0.00 WAT +ATOM 58016 OH2 TIP3 17236 -5.788 13.106 38.672 1.00 0.00 WAT +ATOM 58017 H1 TIP3 17236 -6.256 12.659 37.950 1.00 0.00 WAT +ATOM 58018 H2 TIP3 17236 -5.571 12.368 39.266 1.00 0.00 WAT +ATOM 58019 OH2 TIP3 17237 -4.908 10.739 40.157 1.00 0.00 WAT +ATOM 58020 H1 TIP3 17237 -5.248 9.901 40.501 1.00 0.00 WAT +ATOM 58021 H2 TIP3 17237 -4.582 11.136 40.987 1.00 0.00 WAT +ATOM 58022 OH2 TIP3 17238 12.623 11.699 42.716 1.00 0.00 WAT +ATOM 58023 H1 TIP3 17238 12.522 11.723 43.681 1.00 0.00 WAT +ATOM 58024 H2 TIP3 17238 13.511 12.066 42.628 1.00 0.00 WAT +ATOM 58025 OH2 TIP3 17239 11.843 5.780 36.135 1.00 0.00 WAT +ATOM 58026 H1 TIP3 17239 12.756 6.091 36.294 1.00 0.00 WAT +ATOM 58027 H2 TIP3 17239 11.761 5.133 36.859 1.00 0.00 WAT +ATOM 58028 OH2 TIP3 17240 12.339 3.731 38.124 1.00 0.00 WAT +ATOM 58029 H1 TIP3 17240 11.664 3.166 38.541 1.00 0.00 WAT +ATOM 58030 H2 TIP3 17240 13.021 3.814 38.822 1.00 0.00 WAT +ATOM 58031 OH2 TIP3 17241 12.086 6.019 43.291 1.00 0.00 WAT +ATOM 58032 H1 TIP3 17241 12.712 5.496 42.773 1.00 0.00 WAT +ATOM 58033 H2 TIP3 17241 12.180 6.902 42.909 1.00 0.00 WAT +ATOM 58034 OH2 TIP3 17242 12.560 3.156 34.690 1.00 0.00 WAT +ATOM 58035 H1 TIP3 17242 12.060 3.462 33.910 1.00 0.00 WAT +ATOM 58036 H2 TIP3 17242 12.450 3.908 35.291 1.00 0.00 WAT +ATOM 58037 OH2 TIP3 17243 10.819 0.739 32.949 1.00 0.00 WAT +ATOM 58038 H1 TIP3 17243 11.100 1.323 32.231 1.00 0.00 WAT +ATOM 58039 H2 TIP3 17243 10.596 -0.087 32.477 1.00 0.00 WAT +ATOM 58040 OH2 TIP3 17244 10.249 1.813 38.958 1.00 0.00 WAT +ATOM 58041 H1 TIP3 17244 10.200 0.852 38.817 1.00 0.00 WAT +ATOM 58042 H2 TIP3 17244 9.900 1.915 39.859 1.00 0.00 WAT +ATOM 58043 OH2 TIP3 17245 -4.891 3.839 42.619 1.00 0.00 WAT +ATOM 58044 H1 TIP3 17245 -4.497 3.955 41.736 1.00 0.00 WAT +ATOM 58045 H2 TIP3 17245 -4.128 3.684 43.203 1.00 0.00 WAT +ATOM 58046 OH2 TIP3 17246 10.306 -1.919 32.161 1.00 0.00 WAT +ATOM 58047 H1 TIP3 17246 10.896 -2.423 32.750 1.00 0.00 WAT +ATOM 58048 H2 TIP3 17246 9.514 -2.472 32.095 1.00 0.00 WAT +ATOM 58049 OH2 TIP3 17247 10.105 -0.647 37.104 1.00 0.00 WAT +ATOM 58050 H1 TIP3 17247 10.358 -1.594 37.160 1.00 0.00 WAT +ATOM 58051 H2 TIP3 17247 10.909 -0.276 36.700 1.00 0.00 WAT +ATOM 58052 OH2 TIP3 17248 10.355 0.106 42.218 1.00 0.00 WAT +ATOM 58053 H1 TIP3 17248 11.309 -0.016 42.350 1.00 0.00 WAT +ATOM 58054 H2 TIP3 17248 9.987 -0.266 43.042 1.00 0.00 WAT +ATOM 58055 OH2 TIP3 17249 10.585 -3.433 37.065 1.00 0.00 WAT +ATOM 58056 H1 TIP3 17249 10.718 -3.759 37.975 1.00 0.00 WAT +ATOM 58057 H2 TIP3 17249 9.785 -3.929 36.796 1.00 0.00 WAT +ATOM 58058 OH2 TIP3 17250 -4.148 -2.117 41.919 1.00 0.00 WAT +ATOM 58059 H1 TIP3 17250 -3.894 -3.050 42.028 1.00 0.00 WAT +ATOM 58060 H2 TIP3 17250 -3.582 -1.713 42.586 1.00 0.00 WAT +ATOM 58061 OH2 TIP3 17251 -5.757 0.716 43.028 1.00 0.00 WAT +ATOM 58062 H1 TIP3 17251 -5.347 0.352 42.228 1.00 0.00 WAT +ATOM 58063 H2 TIP3 17251 -5.493 1.651 42.981 1.00 0.00 WAT +ATOM 58064 OH2 TIP3 17252 12.546 -2.953 33.729 1.00 0.00 WAT +ATOM 58065 H1 TIP3 17252 12.877 -3.758 33.294 1.00 0.00 WAT +ATOM 58066 H2 TIP3 17252 13.361 -2.437 33.846 1.00 0.00 WAT +ATOM 58067 OH2 TIP3 17253 -5.220 -3.281 36.962 1.00 0.00 WAT +ATOM 58068 H1 TIP3 17253 -6.159 -3.178 36.723 1.00 0.00 WAT +ATOM 58069 H2 TIP3 17253 -4.778 -2.676 36.333 1.00 0.00 WAT +ATOM 58070 OH2 TIP3 17254 9.404 12.068 38.986 1.00 0.00 WAT +ATOM 58071 H1 TIP3 17254 9.932 11.798 38.214 1.00 0.00 WAT +ATOM 58072 H2 TIP3 17254 10.085 12.331 39.617 1.00 0.00 WAT +ATOM 58073 OH2 TIP3 17255 -3.415 11.322 42.516 1.00 0.00 WAT +ATOM 58074 H1 TIP3 17255 -3.304 10.975 43.402 1.00 0.00 WAT +ATOM 58075 H2 TIP3 17255 -2.565 11.097 42.082 1.00 0.00 WAT +ATOM 58076 OH2 TIP3 17256 -1.321 10.140 41.205 1.00 0.00 WAT +ATOM 58077 H1 TIP3 17256 -1.378 9.197 41.428 1.00 0.00 WAT +ATOM 58078 H2 TIP3 17256 -0.404 10.366 41.471 1.00 0.00 WAT +ATOM 58079 OH2 TIP3 17257 1.290 10.664 42.137 1.00 0.00 WAT +ATOM 58080 H1 TIP3 17257 1.771 9.874 41.869 1.00 0.00 WAT +ATOM 58081 H2 TIP3 17257 1.453 10.683 43.088 1.00 0.00 WAT +ATOM 58082 OH2 TIP3 17258 4.691 -3.331 41.233 1.00 0.00 WAT +ATOM 58083 H1 TIP3 17258 4.125 -4.072 41.525 1.00 0.00 WAT +ATOM 58084 H2 TIP3 17258 5.404 -3.810 40.759 1.00 0.00 WAT +ATOM 58085 OH2 TIP3 17259 9.640 -4.574 41.472 1.00 0.00 WAT +ATOM 58086 H1 TIP3 17259 10.492 -5.000 41.315 1.00 0.00 WAT +ATOM 58087 H2 TIP3 17259 8.985 -5.242 41.259 1.00 0.00 WAT +ATOM 58088 OH2 TIP3 17260 11.828 -4.295 39.544 1.00 0.00 WAT +ATOM 58089 H1 TIP3 17260 12.581 -4.675 39.060 1.00 0.00 WAT +ATOM 58090 H2 TIP3 17260 12.129 -3.381 39.714 1.00 0.00 WAT +ATOM 58091 OH2 TIP3 17261 -2.874 -4.856 38.889 1.00 0.00 WAT +ATOM 58092 H1 TIP3 17261 -3.685 -4.954 38.359 1.00 0.00 WAT +ATOM 58093 H2 TIP3 17261 -2.428 -5.693 38.697 1.00 0.00 WAT +ATOM 58094 OH2 TIP3 17262 -3.971 -5.246 34.793 1.00 0.00 WAT +ATOM 58095 H1 TIP3 17262 -3.476 -4.565 34.298 1.00 0.00 WAT +ATOM 58096 H2 TIP3 17262 -4.401 -4.724 35.486 1.00 0.00 WAT +ATOM 58097 OH2 TIP3 17263 1.573 -4.932 38.936 1.00 0.00 WAT +ATOM 58098 H1 TIP3 17263 2.453 -4.598 38.687 1.00 0.00 WAT +ATOM 58099 H2 TIP3 17263 1.689 -5.058 39.889 1.00 0.00 WAT +ATOM 58100 OH2 TIP3 17264 6.868 -4.778 39.968 1.00 0.00 WAT +ATOM 58101 H1 TIP3 17264 7.432 -5.010 39.220 1.00 0.00 WAT +ATOM 58102 H2 TIP3 17264 6.743 -5.633 40.409 1.00 0.00 WAT +ATOM 58103 OH2 TIP3 17265 8.260 -4.834 36.178 1.00 0.00 WAT +ATOM 58104 H1 TIP3 17265 7.438 -4.338 36.010 1.00 0.00 WAT +ATOM 58105 H2 TIP3 17265 7.915 -5.737 36.290 1.00 0.00 WAT +ATOM 58106 OH2 TIP3 17266 -3.980 10.754 35.890 1.00 0.00 WAT +ATOM 58107 H1 TIP3 17266 -4.617 10.638 35.171 1.00 0.00 WAT +ATOM 58108 H2 TIP3 17266 -3.948 11.717 35.950 1.00 0.00 WAT +ATOM 58109 OH2 TIP3 17267 -2.375 -3.404 33.210 1.00 0.00 WAT +ATOM 58110 H1 TIP3 17267 -1.764 -3.942 32.675 1.00 0.00 WAT +ATOM 58111 H2 TIP3 17267 -1.770 -3.060 33.896 1.00 0.00 WAT +ATOM 58112 OH2 TIP3 17268 2.667 -3.195 35.861 1.00 0.00 WAT +ATOM 58113 H1 TIP3 17268 3.095 -3.772 36.516 1.00 0.00 WAT +ATOM 58114 H2 TIP3 17268 2.944 -2.332 36.210 1.00 0.00 WAT +ATOM 58115 OH2 TIP3 17269 4.754 12.540 34.102 1.00 0.00 WAT +ATOM 58116 H1 TIP3 17269 5.724 12.581 34.015 1.00 0.00 WAT +ATOM 58117 H2 TIP3 17269 4.542 11.960 33.352 1.00 0.00 WAT +ATOM 58118 OH2 TIP3 17270 11.257 11.609 36.638 1.00 0.00 WAT +ATOM 58119 H1 TIP3 17270 11.033 10.761 36.203 1.00 0.00 WAT +ATOM 58120 H2 TIP3 17270 11.247 12.214 35.879 1.00 0.00 WAT +ATOM 58121 OH2 TIP3 17271 -2.520 11.620 32.739 1.00 0.00 WAT +ATOM 58122 H1 TIP3 17271 -2.641 11.952 33.638 1.00 0.00 WAT +ATOM 58123 H2 TIP3 17271 -1.674 11.140 32.807 1.00 0.00 WAT +ATOM 58124 OH2 TIP3 17272 24.910 4.042 39.185 1.00 0.00 WAT +ATOM 58125 H1 TIP3 17272 24.943 5.005 39.288 1.00 0.00 WAT +ATOM 58126 H2 TIP3 17272 24.135 3.934 38.615 1.00 0.00 WAT +ATOM 58127 OH2 TIP3 17273 23.932 3.399 42.459 1.00 0.00 WAT +ATOM 58128 H1 TIP3 17273 23.800 2.657 43.071 1.00 0.00 WAT +ATOM 58129 H2 TIP3 17273 23.708 3.003 41.607 1.00 0.00 WAT +ATOM 58130 OH2 TIP3 17274 27.471 6.174 40.433 1.00 0.00 WAT +ATOM 58131 H1 TIP3 17274 27.073 5.519 41.029 1.00 0.00 WAT +ATOM 58132 H2 TIP3 17274 27.803 6.798 41.116 1.00 0.00 WAT +ATOM 58133 OH2 TIP3 17275 16.951 7.601 42.498 1.00 0.00 WAT +ATOM 58134 H1 TIP3 17275 16.736 6.698 42.199 1.00 0.00 WAT +ATOM 58135 H2 TIP3 17275 17.925 7.499 42.545 1.00 0.00 WAT +ATOM 58136 OH2 TIP3 17276 13.934 1.109 37.779 1.00 0.00 WAT +ATOM 58137 H1 TIP3 17276 13.552 1.997 37.872 1.00 0.00 WAT +ATOM 58138 H2 TIP3 17276 13.208 0.625 37.368 1.00 0.00 WAT +ATOM 58139 OH2 TIP3 17277 14.690 3.479 39.750 1.00 0.00 WAT +ATOM 58140 H1 TIP3 17277 14.930 2.695 40.275 1.00 0.00 WAT +ATOM 58141 H2 TIP3 17277 15.533 3.678 39.318 1.00 0.00 WAT +ATOM 58142 OH2 TIP3 17278 24.234 11.167 41.150 1.00 0.00 WAT +ATOM 58143 H1 TIP3 17278 25.151 11.156 40.837 1.00 0.00 WAT +ATOM 58144 H2 TIP3 17278 24.335 11.282 42.100 1.00 0.00 WAT +ATOM 58145 OH2 TIP3 17279 21.916 5.696 42.836 1.00 0.00 WAT +ATOM 58146 H1 TIP3 17279 22.321 5.072 42.217 1.00 0.00 WAT +ATOM 58147 H2 TIP3 17279 22.733 6.079 43.217 1.00 0.00 WAT +ATOM 58148 OH2 TIP3 17280 25.394 0.441 43.221 1.00 0.00 WAT +ATOM 58149 H1 TIP3 17280 25.824 -0.412 43.391 1.00 0.00 WAT +ATOM 58150 H2 TIP3 17280 25.454 0.523 42.252 1.00 0.00 WAT +ATOM 58151 OH2 TIP3 17281 18.494 -1.677 40.434 1.00 0.00 WAT +ATOM 58152 H1 TIP3 17281 18.684 -0.834 39.976 1.00 0.00 WAT +ATOM 58153 H2 TIP3 17281 18.177 -2.197 39.669 1.00 0.00 WAT +ATOM 58154 OH2 TIP3 17282 26.391 -1.470 38.657 1.00 0.00 WAT +ATOM 58155 H1 TIP3 17282 26.920 -1.873 39.388 1.00 0.00 WAT +ATOM 58156 H2 TIP3 17282 27.097 -1.042 38.155 1.00 0.00 WAT +ATOM 58157 OH2 TIP3 17283 15.433 0.952 41.016 1.00 0.00 WAT +ATOM 58158 H1 TIP3 17283 15.971 0.345 41.528 1.00 0.00 WAT +ATOM 58159 H2 TIP3 17283 15.487 0.545 40.131 1.00 0.00 WAT +ATOM 58160 OH2 TIP3 17284 20.606 2.390 40.659 1.00 0.00 WAT +ATOM 58161 H1 TIP3 17284 21.302 1.740 40.854 1.00 0.00 WAT +ATOM 58162 H2 TIP3 17284 20.105 1.941 39.954 1.00 0.00 WAT +ATOM 58163 OH2 TIP3 17285 24.980 7.022 37.781 1.00 0.00 WAT +ATOM 58164 H1 TIP3 17285 24.289 6.551 37.293 1.00 0.00 WAT +ATOM 58165 H2 TIP3 17285 24.467 7.786 38.101 1.00 0.00 WAT +ATOM 58166 OH2 TIP3 17286 28.143 -2.067 40.674 1.00 0.00 WAT +ATOM 58167 H1 TIP3 17286 28.121 -2.971 41.069 1.00 0.00 WAT +ATOM 58168 H2 TIP3 17286 28.657 -1.610 41.357 1.00 0.00 WAT +ATOM 58169 OH2 TIP3 17287 17.716 -0.771 42.968 1.00 0.00 WAT +ATOM 58170 H1 TIP3 17287 17.646 0.165 42.753 1.00 0.00 WAT +ATOM 58171 H2 TIP3 17287 17.741 -1.205 42.092 1.00 0.00 WAT +ATOM 58172 OH2 TIP3 17288 14.592 6.595 36.278 1.00 0.00 WAT +ATOM 58173 H1 TIP3 17288 14.428 7.096 35.463 1.00 0.00 WAT +ATOM 58174 H2 TIP3 17288 14.777 7.293 36.942 1.00 0.00 WAT +ATOM 58175 OH2 TIP3 17289 28.207 7.569 42.574 1.00 0.00 WAT +ATOM 58176 H1 TIP3 17289 27.493 7.502 43.237 1.00 0.00 WAT +ATOM 58177 H2 TIP3 17289 28.573 8.432 42.784 1.00 0.00 WAT +ATOM 58178 OH2 TIP3 17290 21.469 -5.299 41.784 1.00 0.00 WAT +ATOM 58179 H1 TIP3 17290 21.433 -6.268 41.824 1.00 0.00 WAT +ATOM 58180 H2 TIP3 17290 20.635 -5.053 42.229 1.00 0.00 WAT +ATOM 58181 OH2 TIP3 17291 26.532 9.921 39.777 1.00 0.00 WAT +ATOM 58182 H1 TIP3 17291 26.909 9.183 39.271 1.00 0.00 WAT +ATOM 58183 H2 TIP3 17291 26.955 10.701 39.392 1.00 0.00 WAT +ATOM 58184 OH2 TIP3 17292 27.910 7.738 38.126 1.00 0.00 WAT +ATOM 58185 H1 TIP3 17292 27.156 7.395 37.619 1.00 0.00 WAT +ATOM 58186 H2 TIP3 17292 27.820 7.208 38.944 1.00 0.00 WAT +ATOM 58187 OH2 TIP3 17293 23.488 3.514 36.263 1.00 0.00 WAT +ATOM 58188 H1 TIP3 17293 22.785 4.196 36.206 1.00 0.00 WAT +ATOM 58189 H2 TIP3 17293 24.111 3.798 35.581 1.00 0.00 WAT +ATOM 58190 OH2 TIP3 17294 23.904 1.774 33.415 1.00 0.00 WAT +ATOM 58191 H1 TIP3 17294 24.543 2.060 34.094 1.00 0.00 WAT +ATOM 58192 H2 TIP3 17294 24.447 1.171 32.890 1.00 0.00 WAT +ATOM 58193 OH2 TIP3 17295 27.116 3.575 37.496 1.00 0.00 WAT +ATOM 58194 H1 TIP3 17295 26.429 3.803 38.160 1.00 0.00 WAT +ATOM 58195 H2 TIP3 17295 27.692 2.993 38.020 1.00 0.00 WAT +ATOM 58196 OH2 TIP3 17296 18.546 4.318 39.471 1.00 0.00 WAT +ATOM 58197 H1 TIP3 17296 18.476 4.218 38.508 1.00 0.00 WAT +ATOM 58198 H2 TIP3 17296 19.481 4.116 39.611 1.00 0.00 WAT +ATOM 58199 OH2 TIP3 17297 19.695 7.355 41.693 1.00 0.00 WAT +ATOM 58200 H1 TIP3 17297 19.728 7.353 40.717 1.00 0.00 WAT +ATOM 58201 H2 TIP3 17297 20.628 7.389 41.935 1.00 0.00 WAT +ATOM 58202 OH2 TIP3 17298 18.900 3.154 42.743 1.00 0.00 WAT +ATOM 58203 H1 TIP3 17298 19.519 3.056 41.990 1.00 0.00 WAT +ATOM 58204 H2 TIP3 17298 19.467 3.541 43.417 1.00 0.00 WAT +ATOM 58205 OH2 TIP3 17299 26.119 2.974 34.929 1.00 0.00 WAT +ATOM 58206 H1 TIP3 17299 26.494 3.298 35.774 1.00 0.00 WAT +ATOM 58207 H2 TIP3 17299 26.587 3.552 34.280 1.00 0.00 WAT +ATOM 58208 OH2 TIP3 17300 23.713 9.762 38.565 1.00 0.00 WAT +ATOM 58209 H1 TIP3 17300 23.938 10.054 39.464 1.00 0.00 WAT +ATOM 58210 H2 TIP3 17300 23.009 10.375 38.317 1.00 0.00 WAT +ATOM 58211 OH2 TIP3 17301 29.501 -5.227 34.404 1.00 0.00 WAT +ATOM 58212 H1 TIP3 17301 28.638 -5.160 34.854 1.00 0.00 WAT +ATOM 58213 H2 TIP3 17301 29.855 -4.334 34.522 1.00 0.00 WAT +ATOM 58214 OH2 TIP3 17302 17.672 3.054 36.809 1.00 0.00 WAT +ATOM 58215 H1 TIP3 17302 17.548 3.821 36.230 1.00 0.00 WAT +ATOM 58216 H2 TIP3 17302 16.989 2.454 36.490 1.00 0.00 WAT +ATOM 58217 OH2 TIP3 17303 30.915 8.906 32.906 1.00 0.00 WAT +ATOM 58218 H1 TIP3 17303 31.049 9.824 33.214 1.00 0.00 WAT +ATOM 58219 H2 TIP3 17303 31.760 8.490 33.166 1.00 0.00 WAT +ATOM 58220 OH2 TIP3 17304 13.822 8.501 42.468 1.00 0.00 WAT +ATOM 58221 H1 TIP3 17304 14.791 8.461 42.427 1.00 0.00 WAT +ATOM 58222 H2 TIP3 17304 13.665 9.399 42.788 1.00 0.00 WAT +ATOM 58223 OH2 TIP3 17305 22.820 12.689 37.013 1.00 0.00 WAT +ATOM 58224 H1 TIP3 17305 23.131 12.554 36.106 1.00 0.00 WAT +ATOM 58225 H2 TIP3 17305 23.416 13.361 37.377 1.00 0.00 WAT +ATOM 58226 OH2 TIP3 17306 16.841 11.506 38.649 1.00 0.00 WAT +ATOM 58227 H1 TIP3 17306 17.060 10.997 39.454 1.00 0.00 WAT +ATOM 58228 H2 TIP3 17306 16.045 11.047 38.349 1.00 0.00 WAT +ATOM 58229 OH2 TIP3 17307 26.346 11.739 34.113 1.00 0.00 WAT +ATOM 58230 H1 TIP3 17307 26.921 11.052 33.732 1.00 0.00 WAT +ATOM 58231 H2 TIP3 17307 26.289 11.449 35.048 1.00 0.00 WAT +ATOM 58232 OH2 TIP3 17308 25.786 11.199 36.965 1.00 0.00 WAT +ATOM 58233 H1 TIP3 17308 24.865 11.402 37.184 1.00 0.00 WAT +ATOM 58234 H2 TIP3 17308 25.882 10.418 37.531 1.00 0.00 WAT +ATOM 58235 OH2 TIP3 17309 19.026 -4.405 42.921 1.00 0.00 WAT +ATOM 58236 H1 TIP3 17309 18.198 -4.498 42.417 1.00 0.00 WAT +ATOM 58237 H2 TIP3 17309 19.088 -3.444 43.065 1.00 0.00 WAT +ATOM 58238 OH2 TIP3 17310 27.618 4.111 32.934 1.00 0.00 WAT +ATOM 58239 H1 TIP3 17310 27.446 3.894 31.999 1.00 0.00 WAT +ATOM 58240 H2 TIP3 17310 28.563 4.333 32.919 1.00 0.00 WAT +ATOM 58241 OH2 TIP3 17311 23.293 -2.145 33.451 1.00 0.00 WAT +ATOM 58242 H1 TIP3 17311 22.782 -2.237 34.269 1.00 0.00 WAT +ATOM 58243 H2 TIP3 17311 22.862 -2.820 32.897 1.00 0.00 WAT +ATOM 58244 OH2 TIP3 17312 18.925 0.585 38.859 1.00 0.00 WAT +ATOM 58245 H1 TIP3 17312 17.970 0.600 38.678 1.00 0.00 WAT +ATOM 58246 H2 TIP3 17312 19.269 0.452 37.956 1.00 0.00 WAT +ATOM 58247 OH2 TIP3 17313 24.457 1.300 37.600 1.00 0.00 WAT +ATOM 58248 H1 TIP3 17313 24.031 2.098 37.210 1.00 0.00 WAT +ATOM 58249 H2 TIP3 17313 25.127 1.113 36.925 1.00 0.00 WAT +ATOM 58250 OH2 TIP3 17314 25.289 0.629 40.400 1.00 0.00 WAT +ATOM 58251 H1 TIP3 17314 25.004 1.183 39.645 1.00 0.00 WAT +ATOM 58252 H2 TIP3 17314 25.509 -0.195 39.919 1.00 0.00 WAT +ATOM 58253 OH2 TIP3 17315 19.703 -1.711 32.329 1.00 0.00 WAT +ATOM 58254 H1 TIP3 17315 19.358 -2.021 33.191 1.00 0.00 WAT +ATOM 58255 H2 TIP3 17315 18.889 -1.563 31.833 1.00 0.00 WAT +ATOM 58256 OH2 TIP3 17316 13.155 -1.798 39.440 1.00 0.00 WAT +ATOM 58257 H1 TIP3 17316 13.740 -1.827 40.218 1.00 0.00 WAT +ATOM 58258 H2 TIP3 17316 13.694 -2.186 38.735 1.00 0.00 WAT +ATOM 58259 OH2 TIP3 17317 14.720 -1.386 35.121 1.00 0.00 WAT +ATOM 58260 H1 TIP3 17317 15.287 -0.895 34.492 1.00 0.00 WAT +ATOM 58261 H2 TIP3 17317 14.039 -0.718 35.319 1.00 0.00 WAT +ATOM 58262 OH2 TIP3 17318 21.594 -1.719 39.838 1.00 0.00 WAT +ATOM 58263 H1 TIP3 17318 20.659 -1.817 40.084 1.00 0.00 WAT +ATOM 58264 H2 TIP3 17318 22.047 -2.006 40.648 1.00 0.00 WAT +ATOM 58265 OH2 TIP3 17319 16.184 -0.561 38.572 1.00 0.00 WAT +ATOM 58266 H1 TIP3 17319 15.407 -0.246 38.075 1.00 0.00 WAT +ATOM 58267 H2 TIP3 17319 16.508 -1.309 38.037 1.00 0.00 WAT +ATOM 58268 OH2 TIP3 17320 19.882 -0.245 36.173 1.00 0.00 WAT +ATOM 58269 H1 TIP3 17320 20.838 -0.099 36.258 1.00 0.00 WAT +ATOM 58270 H2 TIP3 17320 19.599 0.412 35.512 1.00 0.00 WAT +ATOM 58271 OH2 TIP3 17321 26.012 -3.091 42.828 1.00 0.00 WAT +ATOM 58272 H1 TIP3 17321 25.629 -2.765 43.654 1.00 0.00 WAT +ATOM 58273 H2 TIP3 17321 25.281 -3.045 42.196 1.00 0.00 WAT +ATOM 58274 OH2 TIP3 17322 18.307 0.993 33.994 1.00 0.00 WAT +ATOM 58275 H1 TIP3 17322 17.739 0.758 33.247 1.00 0.00 WAT +ATOM 58276 H2 TIP3 17322 19.113 1.286 33.535 1.00 0.00 WAT +ATOM 58277 OH2 TIP3 17323 22.569 0.633 41.920 1.00 0.00 WAT +ATOM 58278 H1 TIP3 17323 23.274 0.311 41.337 1.00 0.00 WAT +ATOM 58279 H2 TIP3 17323 22.609 -0.013 42.640 1.00 0.00 WAT +ATOM 58280 OH2 TIP3 17324 17.989 -2.804 37.860 1.00 0.00 WAT +ATOM 58281 H1 TIP3 17324 17.443 -3.596 37.995 1.00 0.00 WAT +ATOM 58282 H2 TIP3 17324 18.791 -3.167 37.462 1.00 0.00 WAT +ATOM 58283 OH2 TIP3 17325 25.959 -1.479 33.529 1.00 0.00 WAT +ATOM 58284 H1 TIP3 17325 24.979 -1.573 33.556 1.00 0.00 WAT +ATOM 58285 H2 TIP3 17325 26.140 -0.824 34.237 1.00 0.00 WAT +ATOM 58286 OH2 TIP3 17326 26.624 0.262 35.614 1.00 0.00 WAT +ATOM 58287 H1 TIP3 17326 27.485 0.118 36.054 1.00 0.00 WAT +ATOM 58288 H2 TIP3 17326 26.712 1.171 35.266 1.00 0.00 WAT +ATOM 58289 OH2 TIP3 17327 16.848 4.735 41.688 1.00 0.00 WAT +ATOM 58290 H1 TIP3 17327 17.408 4.785 40.885 1.00 0.00 WAT +ATOM 58291 H2 TIP3 17327 17.336 4.039 42.168 1.00 0.00 WAT +ATOM 58292 OH2 TIP3 17328 23.887 6.873 34.703 1.00 0.00 WAT +ATOM 58293 H1 TIP3 17328 23.844 7.693 35.230 1.00 0.00 WAT +ATOM 58294 H2 TIP3 17328 23.186 6.378 35.173 1.00 0.00 WAT +ATOM 58295 OH2 TIP3 17329 31.244 0.241 35.370 1.00 0.00 WAT +ATOM 58296 H1 TIP3 17329 30.652 0.054 34.617 1.00 0.00 WAT +ATOM 58297 H2 TIP3 17329 31.342 1.205 35.257 1.00 0.00 WAT +ATOM 58298 OH2 TIP3 17330 29.423 8.889 35.456 1.00 0.00 WAT +ATOM 58299 H1 TIP3 17330 29.123 8.179 36.048 1.00 0.00 WAT +ATOM 58300 H2 TIP3 17330 29.983 8.423 34.824 1.00 0.00 WAT +ATOM 58301 OH2 TIP3 17331 26.562 4.352 42.510 1.00 0.00 WAT +ATOM 58302 H1 TIP3 17331 25.642 4.059 42.653 1.00 0.00 WAT +ATOM 58303 H2 TIP3 17331 26.926 3.599 42.005 1.00 0.00 WAT +ATOM 58304 OH2 TIP3 17332 19.101 8.460 39.182 1.00 0.00 WAT +ATOM 58305 H1 TIP3 17332 19.881 8.756 38.695 1.00 0.00 WAT +ATOM 58306 H2 TIP3 17332 18.433 8.424 38.493 1.00 0.00 WAT +ATOM 58307 OH2 TIP3 17333 15.291 3.095 33.494 1.00 0.00 WAT +ATOM 58308 H1 TIP3 17333 15.894 3.745 33.903 1.00 0.00 WAT +ATOM 58309 H2 TIP3 17333 14.431 3.383 33.851 1.00 0.00 WAT +ATOM 58310 OH2 TIP3 17334 19.794 11.238 38.037 1.00 0.00 WAT +ATOM 58311 H1 TIP3 17334 18.851 11.318 38.236 1.00 0.00 WAT +ATOM 58312 H2 TIP3 17334 20.148 12.093 38.333 1.00 0.00 WAT +ATOM 58313 OH2 TIP3 17335 26.823 7.305 33.403 1.00 0.00 WAT +ATOM 58314 H1 TIP3 17335 27.224 6.827 34.156 1.00 0.00 WAT +ATOM 58315 H2 TIP3 17335 25.887 7.130 33.596 1.00 0.00 WAT +ATOM 58316 OH2 TIP3 17336 31.648 11.544 33.858 1.00 0.00 WAT +ATOM 58317 H1 TIP3 17336 32.315 12.225 33.670 1.00 0.00 WAT +ATOM 58318 H2 TIP3 17336 30.867 12.118 33.964 1.00 0.00 WAT +ATOM 58319 OH2 TIP3 17337 27.853 5.860 35.648 1.00 0.00 WAT +ATOM 58320 H1 TIP3 17337 27.520 5.234 36.315 1.00 0.00 WAT +ATOM 58321 H2 TIP3 17337 28.791 5.923 35.885 1.00 0.00 WAT +ATOM 58322 OH2 TIP3 17338 21.147 8.328 31.862 1.00 0.00 WAT +ATOM 58323 H1 TIP3 17338 21.430 7.511 31.409 1.00 0.00 WAT +ATOM 58324 H2 TIP3 17338 20.765 7.962 32.683 1.00 0.00 WAT +ATOM 58325 OH2 TIP3 17339 20.185 7.755 34.599 1.00 0.00 WAT +ATOM 58326 H1 TIP3 17339 20.535 7.179 35.318 1.00 0.00 WAT +ATOM 58327 H2 TIP3 17339 20.223 8.630 35.023 1.00 0.00 WAT +ATOM 58328 OH2 TIP3 17340 16.755 5.290 34.992 1.00 0.00 WAT +ATOM 58329 H1 TIP3 17340 16.081 5.686 35.576 1.00 0.00 WAT +ATOM 58330 H2 TIP3 17340 17.323 6.053 34.798 1.00 0.00 WAT +ATOM 58331 OH2 TIP3 17341 25.147 -2.810 36.317 1.00 0.00 WAT +ATOM 58332 H1 TIP3 17341 25.275 -2.218 35.563 1.00 0.00 WAT +ATOM 58333 H2 TIP3 17341 25.538 -2.296 37.047 1.00 0.00 WAT +ATOM 58334 OH2 TIP3 17342 23.037 9.698 35.343 1.00 0.00 WAT +ATOM 58335 H1 TIP3 17342 22.106 9.937 35.463 1.00 0.00 WAT +ATOM 58336 H2 TIP3 17342 23.223 9.981 34.442 1.00 0.00 WAT +ATOM 58337 OH2 TIP3 17343 22.558 -0.789 37.267 1.00 0.00 WAT +ATOM 58338 H1 TIP3 17343 23.274 -0.144 37.437 1.00 0.00 WAT +ATOM 58339 H2 TIP3 17343 22.230 -0.967 38.170 1.00 0.00 WAT +ATOM 58340 OH2 TIP3 17344 23.055 -3.783 38.175 1.00 0.00 WAT +ATOM 58341 H1 TIP3 17344 22.939 -3.152 38.909 1.00 0.00 WAT +ATOM 58342 H2 TIP3 17344 23.832 -3.397 37.726 1.00 0.00 WAT +ATOM 58343 OH2 TIP3 17345 20.054 10.527 35.267 1.00 0.00 WAT +ATOM 58344 H1 TIP3 17345 20.035 11.371 34.772 1.00 0.00 WAT +ATOM 58345 H2 TIP3 17345 19.997 10.842 36.193 1.00 0.00 WAT +ATOM 58346 OH2 TIP3 17346 18.839 -2.763 34.744 1.00 0.00 WAT +ATOM 58347 H1 TIP3 17346 18.861 -1.993 35.341 1.00 0.00 WAT +ATOM 58348 H2 TIP3 17346 19.651 -3.233 35.020 1.00 0.00 WAT +ATOM 58349 OH2 TIP3 17347 27.599 2.020 41.352 1.00 0.00 WAT +ATOM 58350 H1 TIP3 17347 26.810 1.527 41.067 1.00 0.00 WAT +ATOM 58351 H2 TIP3 17347 28.164 1.295 41.716 1.00 0.00 WAT +ATOM 58352 OH2 TIP3 17348 17.294 8.131 33.827 1.00 0.00 WAT +ATOM 58353 H1 TIP3 17348 18.022 8.639 34.218 1.00 0.00 WAT +ATOM 58354 H2 TIP3 17348 17.794 7.576 33.206 1.00 0.00 WAT +ATOM 58355 OH2 TIP3 17349 15.391 0.295 32.914 1.00 0.00 WAT +ATOM 58356 H1 TIP3 17349 15.516 1.232 33.160 1.00 0.00 WAT +ATOM 58357 H2 TIP3 17349 14.507 0.305 32.529 1.00 0.00 WAT +ATOM 58358 OH2 TIP3 17350 28.972 11.722 43.286 1.00 0.00 WAT +ATOM 58359 H1 TIP3 17350 28.441 12.215 42.628 1.00 0.00 WAT +ATOM 58360 H2 TIP3 17350 29.771 11.517 42.785 1.00 0.00 WAT +ATOM 58361 OH2 TIP3 17351 16.267 -4.697 41.719 1.00 0.00 WAT +ATOM 58362 H1 TIP3 17351 16.123 -4.659 40.750 1.00 0.00 WAT +ATOM 58363 H2 TIP3 17351 15.918 -5.569 41.947 1.00 0.00 WAT +ATOM 58364 OH2 TIP3 17352 15.160 8.792 37.990 1.00 0.00 WAT +ATOM 58365 H1 TIP3 17352 14.408 9.356 38.213 1.00 0.00 WAT +ATOM 58366 H2 TIP3 17352 15.602 9.314 37.305 1.00 0.00 WAT +ATOM 58367 OH2 TIP3 17353 23.330 10.041 32.414 1.00 0.00 WAT +ATOM 58368 H1 TIP3 17353 22.551 9.446 32.349 1.00 0.00 WAT +ATOM 58369 H2 TIP3 17353 24.023 9.428 32.128 1.00 0.00 WAT +ATOM 58370 OH2 TIP3 17354 27.976 9.917 32.494 1.00 0.00 WAT +ATOM 58371 H1 TIP3 17354 28.094 9.152 33.083 1.00 0.00 WAT +ATOM 58372 H2 TIP3 17354 28.824 9.942 32.022 1.00 0.00 WAT +ATOM 58373 OH2 TIP3 17355 18.773 5.754 32.291 1.00 0.00 WAT +ATOM 58374 H1 TIP3 17355 18.936 5.191 33.079 1.00 0.00 WAT +ATOM 58375 H2 TIP3 17355 19.653 5.727 31.888 1.00 0.00 WAT +ATOM 58376 OH2 TIP3 17356 24.047 7.131 31.923 1.00 0.00 WAT +ATOM 58377 H1 TIP3 17356 23.872 7.053 32.886 1.00 0.00 WAT +ATOM 58378 H2 TIP3 17356 23.938 6.189 31.672 1.00 0.00 WAT +ATOM 58379 OH2 TIP3 17357 19.722 3.942 34.343 1.00 0.00 WAT +ATOM 58380 H1 TIP3 17357 19.536 3.649 35.244 1.00 0.00 WAT +ATOM 58381 H2 TIP3 17357 20.167 3.166 33.960 1.00 0.00 WAT +ATOM 58382 OH2 TIP3 17358 20.816 1.818 32.877 1.00 0.00 WAT +ATOM 58383 H1 TIP3 17358 20.762 1.962 31.916 1.00 0.00 WAT +ATOM 58384 H2 TIP3 17358 21.778 1.843 33.032 1.00 0.00 WAT +ATOM 58385 OH2 TIP3 17359 30.343 4.407 32.196 1.00 0.00 WAT +ATOM 58386 H1 TIP3 17359 30.186 3.972 31.349 1.00 0.00 WAT +ATOM 58387 H2 TIP3 17359 30.191 5.349 31.965 1.00 0.00 WAT +ATOM 58388 OH2 TIP3 17360 20.564 13.123 33.951 1.00 0.00 WAT +ATOM 58389 H1 TIP3 17360 21.508 13.241 34.132 1.00 0.00 WAT +ATOM 58390 H2 TIP3 17360 20.479 13.571 33.102 1.00 0.00 WAT +ATOM 58391 OH2 TIP3 17361 14.492 7.522 33.483 1.00 0.00 WAT +ATOM 58392 H1 TIP3 17361 15.447 7.674 33.645 1.00 0.00 WAT +ATOM 58393 H2 TIP3 17361 14.507 6.715 32.931 1.00 0.00 WAT +ATOM 58394 OH2 TIP3 17362 13.445 12.723 38.259 1.00 0.00 WAT +ATOM 58395 H1 TIP3 17362 12.753 12.316 37.703 1.00 0.00 WAT +ATOM 58396 H2 TIP3 17362 13.592 12.022 38.927 1.00 0.00 WAT +ATOM 58397 OH2 TIP3 17363 13.906 10.701 40.171 1.00 0.00 WAT +ATOM 58398 H1 TIP3 17363 13.573 9.833 40.440 1.00 0.00 WAT +ATOM 58399 H2 TIP3 17363 14.177 11.035 41.046 1.00 0.00 WAT +ATOM 58400 OH2 TIP3 17364 31.611 12.077 42.692 1.00 0.00 WAT +ATOM 58401 H1 TIP3 17364 31.352 11.961 43.622 1.00 0.00 WAT +ATOM 58402 H2 TIP3 17364 32.574 12.122 42.778 1.00 0.00 WAT +ATOM 58403 OH2 TIP3 17365 30.759 5.761 36.108 1.00 0.00 WAT +ATOM 58404 H1 TIP3 17365 31.656 6.054 36.344 1.00 0.00 WAT +ATOM 58405 H2 TIP3 17365 30.576 5.148 36.838 1.00 0.00 WAT +ATOM 58406 OH2 TIP3 17366 31.256 3.662 38.150 1.00 0.00 WAT +ATOM 58407 H1 TIP3 17366 30.502 3.175 38.539 1.00 0.00 WAT +ATOM 58408 H2 TIP3 17366 31.826 3.834 38.920 1.00 0.00 WAT +ATOM 58409 OH2 TIP3 17367 30.942 6.061 43.358 1.00 0.00 WAT +ATOM 58410 H1 TIP3 17367 31.459 5.542 42.732 1.00 0.00 WAT +ATOM 58411 H2 TIP3 17367 30.761 6.882 42.881 1.00 0.00 WAT +ATOM 58412 OH2 TIP3 17368 31.469 3.197 34.668 1.00 0.00 WAT +ATOM 58413 H1 TIP3 17368 30.919 3.465 33.909 1.00 0.00 WAT +ATOM 58414 H2 TIP3 17368 31.285 3.920 35.289 1.00 0.00 WAT +ATOM 58415 OH2 TIP3 17369 29.685 0.747 32.939 1.00 0.00 WAT +ATOM 58416 H1 TIP3 17369 29.960 1.305 32.202 1.00 0.00 WAT +ATOM 58417 H2 TIP3 17369 29.447 -0.093 32.497 1.00 0.00 WAT +ATOM 58418 OH2 TIP3 17370 29.110 1.865 38.935 1.00 0.00 WAT +ATOM 58419 H1 TIP3 17370 29.037 0.908 38.785 1.00 0.00 WAT +ATOM 58420 H2 TIP3 17370 28.725 1.963 39.826 1.00 0.00 WAT +ATOM 58421 OH2 TIP3 17371 13.959 3.743 42.624 1.00 0.00 WAT +ATOM 58422 H1 TIP3 17371 14.305 3.992 41.750 1.00 0.00 WAT +ATOM 58423 H2 TIP3 17371 14.773 3.710 43.156 1.00 0.00 WAT +ATOM 58424 OH2 TIP3 17372 29.181 -1.924 32.129 1.00 0.00 WAT +ATOM 58425 H1 TIP3 17372 29.758 -2.413 32.746 1.00 0.00 WAT +ATOM 58426 H2 TIP3 17372 28.367 -2.449 32.116 1.00 0.00 WAT +ATOM 58427 OH2 TIP3 17373 28.974 -0.634 37.094 1.00 0.00 WAT +ATOM 58428 H1 TIP3 17373 29.190 -1.588 37.165 1.00 0.00 WAT +ATOM 58429 H2 TIP3 17373 29.795 -0.299 36.696 1.00 0.00 WAT +ATOM 58430 OH2 TIP3 17374 29.216 0.101 42.235 1.00 0.00 WAT +ATOM 58431 H1 TIP3 17374 30.165 -0.008 42.401 1.00 0.00 WAT +ATOM 58432 H2 TIP3 17374 28.816 -0.288 43.035 1.00 0.00 WAT +ATOM 58433 OH2 TIP3 17375 29.448 -3.432 37.056 1.00 0.00 WAT +ATOM 58434 H1 TIP3 17375 29.589 -3.771 37.961 1.00 0.00 WAT +ATOM 58435 H2 TIP3 17375 28.645 -3.926 36.791 1.00 0.00 WAT +ATOM 58436 OH2 TIP3 17376 14.670 -2.129 41.941 1.00 0.00 WAT +ATOM 58437 H1 TIP3 17376 14.980 -3.045 42.036 1.00 0.00 WAT +ATOM 58438 H2 TIP3 17376 15.276 -1.675 42.536 1.00 0.00 WAT +ATOM 58439 OH2 TIP3 17377 13.113 0.740 43.029 1.00 0.00 WAT +ATOM 58440 H1 TIP3 17377 13.533 0.369 42.236 1.00 0.00 WAT +ATOM 58441 H2 TIP3 17377 13.391 1.674 42.965 1.00 0.00 WAT +ATOM 58442 OH2 TIP3 17378 31.417 -2.920 33.696 1.00 0.00 WAT +ATOM 58443 H1 TIP3 17378 31.722 -3.776 33.347 1.00 0.00 WAT +ATOM 58444 H2 TIP3 17378 32.258 -2.458 33.847 1.00 0.00 WAT +ATOM 58445 OH2 TIP3 17379 13.665 -3.260 36.907 1.00 0.00 WAT +ATOM 58446 H1 TIP3 17379 12.714 -3.176 36.725 1.00 0.00 WAT +ATOM 58447 H2 TIP3 17379 14.067 -2.628 36.279 1.00 0.00 WAT +ATOM 58448 OH2 TIP3 17380 28.320 12.173 38.906 1.00 0.00 WAT +ATOM 58449 H1 TIP3 17380 28.834 11.735 38.213 1.00 0.00 WAT +ATOM 58450 H2 TIP3 17380 28.965 12.328 39.602 1.00 0.00 WAT +ATOM 58451 OH2 TIP3 17381 15.326 11.097 42.599 1.00 0.00 WAT +ATOM 58452 H1 TIP3 17381 15.670 11.082 43.513 1.00 0.00 WAT +ATOM 58453 H2 TIP3 17381 16.152 10.854 42.120 1.00 0.00 WAT +ATOM 58454 OH2 TIP3 17382 17.511 10.231 41.238 1.00 0.00 WAT +ATOM 58455 H1 TIP3 17382 17.456 9.259 41.320 1.00 0.00 WAT +ATOM 58456 H2 TIP3 17382 18.461 10.374 41.427 1.00 0.00 WAT +ATOM 58457 OH2 TIP3 17383 20.183 10.742 42.128 1.00 0.00 WAT +ATOM 58458 H1 TIP3 17383 20.584 9.955 41.740 1.00 0.00 WAT +ATOM 58459 H2 TIP3 17383 20.353 10.600 43.066 1.00 0.00 WAT +ATOM 58460 OH2 TIP3 17384 23.566 -3.322 41.264 1.00 0.00 WAT +ATOM 58461 H1 TIP3 17384 22.974 -4.052 41.532 1.00 0.00 WAT +ATOM 58462 H2 TIP3 17384 24.253 -3.807 40.762 1.00 0.00 WAT +ATOM 58463 OH2 TIP3 17385 28.510 -4.594 41.526 1.00 0.00 WAT +ATOM 58464 H1 TIP3 17385 29.349 -5.005 41.285 1.00 0.00 WAT +ATOM 58465 H2 TIP3 17385 27.829 -5.200 41.221 1.00 0.00 WAT +ATOM 58466 OH2 TIP3 17386 30.649 -4.270 39.528 1.00 0.00 WAT +ATOM 58467 H1 TIP3 17386 31.416 -4.714 39.119 1.00 0.00 WAT +ATOM 58468 H2 TIP3 17386 30.978 -3.375 39.710 1.00 0.00 WAT +ATOM 58469 OH2 TIP3 17387 15.943 -4.706 38.896 1.00 0.00 WAT +ATOM 58470 H1 TIP3 17387 15.093 -4.840 38.432 1.00 0.00 WAT +ATOM 58471 H2 TIP3 17387 16.382 -5.561 38.731 1.00 0.00 WAT +ATOM 58472 OH2 TIP3 17388 14.764 -5.210 34.772 1.00 0.00 WAT +ATOM 58473 H1 TIP3 17388 15.271 -4.549 34.263 1.00 0.00 WAT +ATOM 58474 H2 TIP3 17388 14.360 -4.664 35.467 1.00 0.00 WAT +ATOM 58475 OH2 TIP3 17389 20.455 -4.949 38.907 1.00 0.00 WAT +ATOM 58476 H1 TIP3 17389 21.334 -4.581 38.714 1.00 0.00 WAT +ATOM 58477 H2 TIP3 17389 20.496 -5.037 39.869 1.00 0.00 WAT +ATOM 58478 OH2 TIP3 17390 25.769 -4.779 39.987 1.00 0.00 WAT +ATOM 58479 H1 TIP3 17390 26.270 -5.025 39.202 1.00 0.00 WAT +ATOM 58480 H2 TIP3 17390 25.589 -5.637 40.403 1.00 0.00 WAT +ATOM 58481 OH2 TIP3 17391 27.132 -4.843 36.155 1.00 0.00 WAT +ATOM 58482 H1 TIP3 17391 26.315 -4.314 36.057 1.00 0.00 WAT +ATOM 58483 H2 TIP3 17391 26.762 -5.732 36.295 1.00 0.00 WAT +ATOM 58484 OH2 TIP3 17392 14.937 10.748 35.936 1.00 0.00 WAT +ATOM 58485 H1 TIP3 17392 14.304 10.630 35.212 1.00 0.00 WAT +ATOM 58486 H2 TIP3 17392 14.943 11.712 36.010 1.00 0.00 WAT +ATOM 58487 OH2 TIP3 17393 16.477 -3.393 33.209 1.00 0.00 WAT +ATOM 58488 H1 TIP3 17393 17.092 -3.944 32.697 1.00 0.00 WAT +ATOM 58489 H2 TIP3 17393 17.069 -3.053 33.907 1.00 0.00 WAT +ATOM 58490 OH2 TIP3 17394 21.566 -3.216 35.832 1.00 0.00 WAT +ATOM 58491 H1 TIP3 17394 21.952 -3.755 36.542 1.00 0.00 WAT +ATOM 58492 H2 TIP3 17394 21.744 -2.331 36.188 1.00 0.00 WAT +ATOM 58493 OH2 TIP3 17395 23.647 12.666 33.970 1.00 0.00 WAT +ATOM 58494 H1 TIP3 17395 24.617 12.591 34.022 1.00 0.00 WAT +ATOM 58495 H2 TIP3 17395 23.433 11.900 33.418 1.00 0.00 WAT +ATOM 58496 OH2 TIP3 17396 30.202 11.583 36.604 1.00 0.00 WAT +ATOM 58497 H1 TIP3 17396 29.892 10.758 36.176 1.00 0.00 WAT +ATOM 58498 H2 TIP3 17396 29.987 12.243 35.925 1.00 0.00 WAT +ATOM 58499 OH2 TIP3 17397 16.390 11.711 32.733 1.00 0.00 WAT +ATOM 58500 H1 TIP3 17397 16.148 11.967 33.634 1.00 0.00 WAT +ATOM 58501 H2 TIP3 17397 17.150 11.124 32.880 1.00 0.00 WAT +ATOM 58502 OH2 TIP3 17398 42.148 3.406 42.225 1.00 0.00 WAT +ATOM 58503 H1 TIP3 17398 42.647 3.023 42.966 1.00 0.00 WAT +ATOM 58504 H2 TIP3 17398 42.350 2.800 41.501 1.00 0.00 WAT +ATOM 58505 OH2 TIP3 17399 32.802 1.229 37.787 1.00 0.00 WAT +ATOM 58506 H1 TIP3 17399 32.280 2.049 37.827 1.00 0.00 WAT +ATOM 58507 H2 TIP3 17399 32.140 0.594 37.487 1.00 0.00 WAT +ATOM 58508 OH2 TIP3 17400 33.724 3.576 39.889 1.00 0.00 WAT +ATOM 58509 H1 TIP3 17400 33.782 2.688 40.291 1.00 0.00 WAT +ATOM 58510 H2 TIP3 17400 34.364 3.500 39.173 1.00 0.00 WAT +ATOM 58511 OH2 TIP3 17401 40.516 5.642 42.506 1.00 0.00 WAT +ATOM 58512 H1 TIP3 17401 41.028 4.887 42.136 1.00 0.00 WAT +ATOM 58513 H2 TIP3 17401 41.257 6.024 43.036 1.00 0.00 WAT +ATOM 58514 OH2 TIP3 17402 37.364 -1.684 40.419 1.00 0.00 WAT +ATOM 58515 H1 TIP3 17402 37.527 -0.854 39.940 1.00 0.00 WAT +ATOM 58516 H2 TIP3 17402 37.064 -2.257 39.688 1.00 0.00 WAT +ATOM 58517 OH2 TIP3 17403 34.375 1.011 40.974 1.00 0.00 WAT +ATOM 58518 H1 TIP3 17403 34.733 0.350 41.571 1.00 0.00 WAT +ATOM 58519 H2 TIP3 17403 34.336 0.511 40.139 1.00 0.00 WAT +ATOM 58520 OH2 TIP3 17404 39.375 2.389 40.569 1.00 0.00 WAT +ATOM 58521 H1 TIP3 17404 40.158 1.851 40.815 1.00 0.00 WAT +ATOM 58522 H2 TIP3 17404 38.946 1.780 39.937 1.00 0.00 WAT +ATOM 58523 OH2 TIP3 17405 36.661 -0.766 43.004 1.00 0.00 WAT +ATOM 58524 H1 TIP3 17405 36.424 0.141 42.791 1.00 0.00 WAT +ATOM 58525 H2 TIP3 17405 36.565 -1.235 42.153 1.00 0.00 WAT +ATOM 58526 OH2 TIP3 17406 33.526 6.599 36.267 1.00 0.00 WAT +ATOM 58527 H1 TIP3 17406 33.242 7.076 35.469 1.00 0.00 WAT +ATOM 58528 H2 TIP3 17406 33.638 7.311 36.930 1.00 0.00 WAT +ATOM 58529 OH2 TIP3 17407 40.432 -5.327 41.868 1.00 0.00 WAT +ATOM 58530 H1 TIP3 17407 40.271 -6.287 41.857 1.00 0.00 WAT +ATOM 58531 H2 TIP3 17407 39.568 -5.000 42.181 1.00 0.00 WAT +ATOM 58532 OH2 TIP3 17408 42.676 3.470 36.340 1.00 0.00 WAT +ATOM 58533 H1 TIP3 17408 42.000 4.122 36.098 1.00 0.00 WAT +ATOM 58534 H2 TIP3 17408 43.318 3.592 35.639 1.00 0.00 WAT +ATOM 58535 OH2 TIP3 17409 42.905 1.925 33.495 1.00 0.00 WAT +ATOM 58536 H1 TIP3 17409 43.655 1.830 34.103 1.00 0.00 WAT +ATOM 58537 H2 TIP3 17409 42.922 1.099 32.999 1.00 0.00 WAT +ATOM 58538 OH2 TIP3 17410 37.629 4.410 39.267 1.00 0.00 WAT +ATOM 58539 H1 TIP3 17410 37.195 3.960 38.513 1.00 0.00 WAT +ATOM 58540 H2 TIP3 17410 38.129 3.674 39.668 1.00 0.00 WAT +ATOM 58541 OH2 TIP3 17411 37.844 3.265 42.742 1.00 0.00 WAT +ATOM 58542 H1 TIP3 17411 38.489 2.996 42.060 1.00 0.00 WAT +ATOM 58543 H2 TIP3 17411 38.392 3.353 43.531 1.00 0.00 WAT +ATOM 58544 OH2 TIP3 17412 42.425 9.580 38.504 1.00 0.00 WAT +ATOM 58545 H1 TIP3 17412 42.987 10.051 39.145 1.00 0.00 WAT +ATOM 58546 H2 TIP3 17412 42.016 10.313 38.026 1.00 0.00 WAT +ATOM 58547 OH2 TIP3 17413 36.477 3.145 36.840 1.00 0.00 WAT +ATOM 58548 H1 TIP3 17413 36.252 3.841 36.196 1.00 0.00 WAT +ATOM 58549 H2 TIP3 17413 35.893 2.423 36.565 1.00 0.00 WAT +ATOM 58550 OH2 TIP3 17414 32.650 8.607 42.253 1.00 0.00 WAT +ATOM 58551 H1 TIP3 17414 33.552 8.497 42.558 1.00 0.00 WAT +ATOM 58552 H2 TIP3 17414 32.298 9.262 42.872 1.00 0.00 WAT +ATOM 58553 OH2 TIP3 17415 41.838 12.327 36.985 1.00 0.00 WAT +ATOM 58554 H1 TIP3 17415 42.047 12.372 36.040 1.00 0.00 WAT +ATOM 58555 H2 TIP3 17415 42.063 13.206 37.313 1.00 0.00 WAT +ATOM 58556 OH2 TIP3 17416 35.747 11.456 38.641 1.00 0.00 WAT +ATOM 58557 H1 TIP3 17416 35.841 10.994 39.494 1.00 0.00 WAT +ATOM 58558 H2 TIP3 17416 34.901 11.103 38.329 1.00 0.00 WAT +ATOM 58559 OH2 TIP3 17417 37.912 -4.372 42.915 1.00 0.00 WAT +ATOM 58560 H1 TIP3 17417 37.096 -4.570 42.428 1.00 0.00 WAT +ATOM 58561 H2 TIP3 17417 37.839 -3.422 43.080 1.00 0.00 WAT +ATOM 58562 OH2 TIP3 17418 42.280 -2.047 33.501 1.00 0.00 WAT +ATOM 58563 H1 TIP3 17418 41.730 -2.290 34.265 1.00 0.00 WAT +ATOM 58564 H2 TIP3 17418 42.023 -2.753 32.887 1.00 0.00 WAT +ATOM 58565 OH2 TIP3 17419 37.761 0.702 38.821 1.00 0.00 WAT +ATOM 58566 H1 TIP3 17419 36.806 0.548 38.680 1.00 0.00 WAT +ATOM 58567 H2 TIP3 17419 38.111 0.428 37.950 1.00 0.00 WAT +ATOM 58568 OH2 TIP3 17420 42.761 1.157 38.378 1.00 0.00 WAT +ATOM 58569 H1 TIP3 17420 42.735 2.073 38.054 1.00 0.00 WAT +ATOM 58570 H2 TIP3 17420 43.690 1.007 38.597 1.00 0.00 WAT +ATOM 58571 OH2 TIP3 17421 38.591 -1.555 32.367 1.00 0.00 WAT +ATOM 58572 H1 TIP3 17421 38.249 -1.975 33.184 1.00 0.00 WAT +ATOM 58573 H2 TIP3 17421 37.824 -1.583 31.785 1.00 0.00 WAT +ATOM 58574 OH2 TIP3 17422 32.135 -1.624 39.395 1.00 0.00 WAT +ATOM 58575 H1 TIP3 17422 32.603 -1.866 40.213 1.00 0.00 WAT +ATOM 58576 H2 TIP3 17422 32.497 -2.222 38.719 1.00 0.00 WAT +ATOM 58577 OH2 TIP3 17423 33.594 -1.382 35.107 1.00 0.00 WAT +ATOM 58578 H1 TIP3 17423 34.141 -0.884 34.471 1.00 0.00 WAT +ATOM 58579 H2 TIP3 17423 32.894 -0.736 35.315 1.00 0.00 WAT +ATOM 58580 OH2 TIP3 17424 40.478 -1.820 39.845 1.00 0.00 WAT +ATOM 58581 H1 TIP3 17424 39.537 -1.975 40.035 1.00 0.00 WAT +ATOM 58582 H2 TIP3 17424 40.866 -1.982 40.716 1.00 0.00 WAT +ATOM 58583 OH2 TIP3 17425 35.152 -0.501 38.478 1.00 0.00 WAT +ATOM 58584 H1 TIP3 17425 34.272 -0.319 38.107 1.00 0.00 WAT +ATOM 58585 H2 TIP3 17425 35.391 -1.349 38.056 1.00 0.00 WAT +ATOM 58586 OH2 TIP3 17426 38.732 -0.200 36.225 1.00 0.00 WAT +ATOM 58587 H1 TIP3 17426 39.700 -0.118 36.257 1.00 0.00 WAT +ATOM 58588 H2 TIP3 17426 38.470 0.387 35.496 1.00 0.00 WAT +ATOM 58589 OH2 TIP3 17427 37.211 1.102 33.982 1.00 0.00 WAT +ATOM 58590 H1 TIP3 17427 36.592 0.741 33.328 1.00 0.00 WAT +ATOM 58591 H2 TIP3 17427 38.030 1.146 33.464 1.00 0.00 WAT +ATOM 58592 OH2 TIP3 17428 41.279 0.588 41.529 1.00 0.00 WAT +ATOM 58593 H1 TIP3 17428 41.880 0.134 40.919 1.00 0.00 WAT +ATOM 58594 H2 TIP3 17428 41.524 0.184 42.376 1.00 0.00 WAT +ATOM 58595 OH2 TIP3 17429 36.759 -2.908 37.845 1.00 0.00 WAT +ATOM 58596 H1 TIP3 17429 36.249 -3.715 38.044 1.00 0.00 WAT +ATOM 58597 H2 TIP3 17429 37.600 -3.292 37.561 1.00 0.00 WAT +ATOM 58598 OH2 TIP3 17430 40.666 5.531 35.843 1.00 0.00 WAT +ATOM 58599 H1 TIP3 17430 39.942 4.994 35.447 1.00 0.00 WAT +ATOM 58600 H2 TIP3 17430 40.526 5.427 36.794 1.00 0.00 WAT +ATOM 58601 OH2 TIP3 17431 35.829 5.074 41.716 1.00 0.00 WAT +ATOM 58602 H1 TIP3 17431 36.103 4.834 40.824 1.00 0.00 WAT +ATOM 58603 H2 TIP3 17431 36.003 4.251 42.199 1.00 0.00 WAT +ATOM 58604 OH2 TIP3 17432 42.869 6.900 34.819 1.00 0.00 WAT +ATOM 58605 H1 TIP3 17432 42.600 7.793 35.116 1.00 0.00 WAT +ATOM 58606 H2 TIP3 17432 42.109 6.372 35.133 1.00 0.00 WAT +ATOM 58607 OH2 TIP3 17433 38.112 8.312 39.296 1.00 0.00 WAT +ATOM 58608 H1 TIP3 17433 38.604 9.085 38.955 1.00 0.00 WAT +ATOM 58609 H2 TIP3 17433 37.284 8.404 38.802 1.00 0.00 WAT +ATOM 58610 OH2 TIP3 17434 34.136 3.105 33.492 1.00 0.00 WAT +ATOM 58611 H1 TIP3 17434 34.710 3.772 33.907 1.00 0.00 WAT +ATOM 58612 H2 TIP3 17434 33.265 3.331 33.878 1.00 0.00 WAT +ATOM 58613 OH2 TIP3 17435 39.889 6.044 39.068 1.00 0.00 WAT +ATOM 58614 H1 TIP3 17435 39.700 6.853 38.574 1.00 0.00 WAT +ATOM 58615 H2 TIP3 17435 39.144 5.454 38.855 1.00 0.00 WAT +ATOM 58616 OH2 TIP3 17436 38.587 11.171 38.132 1.00 0.00 WAT +ATOM 58617 H1 TIP3 17436 37.636 11.357 38.203 1.00 0.00 WAT +ATOM 58618 H2 TIP3 17436 38.973 12.038 38.367 1.00 0.00 WAT +ATOM 58619 OH2 TIP3 17437 39.938 8.380 31.937 1.00 0.00 WAT +ATOM 58620 H1 TIP3 17437 40.292 7.618 31.439 1.00 0.00 WAT +ATOM 58621 H2 TIP3 17437 39.554 7.930 32.707 1.00 0.00 WAT +ATOM 58622 OH2 TIP3 17438 38.822 7.810 34.723 1.00 0.00 WAT +ATOM 58623 H1 TIP3 17438 39.409 7.303 35.299 1.00 0.00 WAT +ATOM 58624 H2 TIP3 17438 38.998 8.736 34.993 1.00 0.00 WAT +ATOM 58625 OH2 TIP3 17439 35.687 5.309 35.057 1.00 0.00 WAT +ATOM 58626 H1 TIP3 17439 34.937 5.682 35.566 1.00 0.00 WAT +ATOM 58627 H2 TIP3 17439 36.120 6.123 34.752 1.00 0.00 WAT +ATOM 58628 OH2 TIP3 17440 41.658 9.463 35.217 1.00 0.00 WAT +ATOM 58629 H1 TIP3 17440 40.876 10.004 35.428 1.00 0.00 WAT +ATOM 58630 H2 TIP3 17440 42.111 10.024 34.579 1.00 0.00 WAT +ATOM 58631 OH2 TIP3 17441 41.381 -0.850 37.270 1.00 0.00 WAT +ATOM 58632 H1 TIP3 17441 42.003 -0.177 37.625 1.00 0.00 WAT +ATOM 58633 H2 TIP3 17441 40.993 -1.137 38.117 1.00 0.00 WAT +ATOM 58634 OH2 TIP3 17442 41.987 -3.842 38.497 1.00 0.00 WAT +ATOM 58635 H1 TIP3 17442 41.642 -3.048 38.956 1.00 0.00 WAT +ATOM 58636 H2 TIP3 17442 42.704 -3.472 37.952 1.00 0.00 WAT +ATOM 58637 OH2 TIP3 17443 38.952 10.544 35.276 1.00 0.00 WAT +ATOM 58638 H1 TIP3 17443 38.908 11.350 34.720 1.00 0.00 WAT +ATOM 58639 H2 TIP3 17443 38.810 10.910 36.169 1.00 0.00 WAT +ATOM 58640 OH2 TIP3 17444 37.689 -2.724 34.680 1.00 0.00 WAT +ATOM 58641 H1 TIP3 17444 37.695 -2.054 35.384 1.00 0.00 WAT +ATOM 58642 H2 TIP3 17444 38.363 -3.358 34.980 1.00 0.00 WAT +ATOM 58643 OH2 TIP3 17445 36.108 8.107 33.805 1.00 0.00 WAT +ATOM 58644 H1 TIP3 17445 36.841 8.596 34.214 1.00 0.00 WAT +ATOM 58645 H2 TIP3 17445 36.604 7.600 33.143 1.00 0.00 WAT +ATOM 58646 OH2 TIP3 17446 34.276 0.332 32.884 1.00 0.00 WAT +ATOM 58647 H1 TIP3 17446 34.343 1.268 33.154 1.00 0.00 WAT +ATOM 58648 H2 TIP3 17446 33.363 0.271 32.581 1.00 0.00 WAT +ATOM 58649 OH2 TIP3 17447 35.031 -4.674 41.650 1.00 0.00 WAT +ATOM 58650 H1 TIP3 17447 35.029 -4.780 40.676 1.00 0.00 WAT +ATOM 58651 H2 TIP3 17447 34.816 -5.570 41.945 1.00 0.00 WAT +ATOM 58652 OH2 TIP3 17448 34.088 8.826 37.990 1.00 0.00 WAT +ATOM 58653 H1 TIP3 17448 33.302 9.304 38.293 1.00 0.00 WAT +ATOM 58654 H2 TIP3 17448 34.384 9.383 37.251 1.00 0.00 WAT +ATOM 58655 OH2 TIP3 17449 42.309 10.028 32.251 1.00 0.00 WAT +ATOM 58656 H1 TIP3 17449 41.478 9.509 32.261 1.00 0.00 WAT +ATOM 58657 H2 TIP3 17449 42.943 9.301 32.120 1.00 0.00 WAT +ATOM 58658 OH2 TIP3 17450 37.632 5.804 32.275 1.00 0.00 WAT +ATOM 58659 H1 TIP3 17450 37.774 5.187 33.011 1.00 0.00 WAT +ATOM 58660 H2 TIP3 17450 38.486 5.737 31.807 1.00 0.00 WAT +ATOM 58661 OH2 TIP3 17451 42.597 7.110 31.829 1.00 0.00 WAT +ATOM 58662 H1 TIP3 17451 42.789 7.211 32.778 1.00 0.00 WAT +ATOM 58663 H2 TIP3 17451 42.449 6.151 31.771 1.00 0.00 WAT +ATOM 58664 OH2 TIP3 17452 38.745 3.836 34.641 1.00 0.00 WAT +ATOM 58665 H1 TIP3 17452 38.068 3.341 35.127 1.00 0.00 WAT +ATOM 58666 H2 TIP3 17452 39.026 3.162 33.987 1.00 0.00 WAT +ATOM 58667 OH2 TIP3 17453 39.799 1.897 32.903 1.00 0.00 WAT +ATOM 58668 H1 TIP3 17453 39.691 1.893 31.936 1.00 0.00 WAT +ATOM 58669 H2 TIP3 17453 40.762 1.972 32.992 1.00 0.00 WAT +ATOM 58670 OH2 TIP3 17454 39.567 13.074 33.984 1.00 0.00 WAT +ATOM 58671 H1 TIP3 17454 40.526 13.163 34.051 1.00 0.00 WAT +ATOM 58672 H2 TIP3 17454 39.397 13.572 33.172 1.00 0.00 WAT +ATOM 58673 OH2 TIP3 17455 33.335 7.518 33.493 1.00 0.00 WAT +ATOM 58674 H1 TIP3 17455 34.288 7.694 33.643 1.00 0.00 WAT +ATOM 58675 H2 TIP3 17455 33.360 6.722 32.926 1.00 0.00 WAT +ATOM 58676 OH2 TIP3 17456 32.385 12.678 38.201 1.00 0.00 WAT +ATOM 58677 H1 TIP3 17456 31.641 12.324 37.673 1.00 0.00 WAT +ATOM 58678 H2 TIP3 17456 32.423 12.032 38.934 1.00 0.00 WAT +ATOM 58679 OH2 TIP3 17457 32.768 10.694 40.190 1.00 0.00 WAT +ATOM 58680 H1 TIP3 17457 32.444 9.829 40.494 1.00 0.00 WAT +ATOM 58681 H2 TIP3 17457 32.942 11.087 41.064 1.00 0.00 WAT +ATOM 58682 OH2 TIP3 17458 32.790 3.745 42.600 1.00 0.00 WAT +ATOM 58683 H1 TIP3 17458 33.187 3.998 41.749 1.00 0.00 WAT +ATOM 58684 H2 TIP3 17458 33.555 3.697 43.200 1.00 0.00 WAT +ATOM 58685 OH2 TIP3 17459 33.549 -2.105 41.923 1.00 0.00 WAT +ATOM 58686 H1 TIP3 17459 33.784 -3.049 41.992 1.00 0.00 WAT +ATOM 58687 H2 TIP3 17459 34.145 -1.737 42.584 1.00 0.00 WAT +ATOM 58688 OH2 TIP3 17460 31.968 0.719 43.037 1.00 0.00 WAT +ATOM 58689 H1 TIP3 17460 32.357 0.333 42.238 1.00 0.00 WAT +ATOM 58690 H2 TIP3 17460 32.226 1.656 42.955 1.00 0.00 WAT +ATOM 58691 OH2 TIP3 17461 32.516 -3.155 36.995 1.00 0.00 WAT +ATOM 58692 H1 TIP3 17461 31.578 -3.198 36.744 1.00 0.00 WAT +ATOM 58693 H2 TIP3 17461 32.917 -2.623 36.281 1.00 0.00 WAT +ATOM 58694 OH2 TIP3 17462 34.174 11.130 42.657 1.00 0.00 WAT +ATOM 58695 H1 TIP3 17462 34.517 11.139 43.572 1.00 0.00 WAT +ATOM 58696 H2 TIP3 17462 35.001 10.925 42.176 1.00 0.00 WAT +ATOM 58697 OH2 TIP3 17463 36.350 10.139 41.277 1.00 0.00 WAT +ATOM 58698 H1 TIP3 17463 36.295 9.187 41.415 1.00 0.00 WAT +ATOM 58699 H2 TIP3 17463 37.277 10.342 41.527 1.00 0.00 WAT +ATOM 58700 OH2 TIP3 17464 39.020 10.633 42.091 1.00 0.00 WAT +ATOM 58701 H1 TIP3 17464 39.505 9.803 41.959 1.00 0.00 WAT +ATOM 58702 H2 TIP3 17464 39.115 10.729 43.047 1.00 0.00 WAT +ATOM 58703 OH2 TIP3 17465 42.677 -3.619 41.321 1.00 0.00 WAT +ATOM 58704 H1 TIP3 17465 41.924 -4.170 41.611 1.00 0.00 WAT +ATOM 58705 H2 TIP3 17465 42.940 -4.092 40.523 1.00 0.00 WAT +ATOM 58706 OH2 TIP3 17466 35.030 -5.115 38.829 1.00 0.00 WAT +ATOM 58707 H1 TIP3 17466 34.150 -5.269 38.432 1.00 0.00 WAT +ATOM 58708 H2 TIP3 17466 35.459 -5.972 38.681 1.00 0.00 WAT +ATOM 58709 OH2 TIP3 17467 33.483 -5.165 34.693 1.00 0.00 WAT +ATOM 58710 H1 TIP3 17467 34.120 -4.558 34.280 1.00 0.00 WAT +ATOM 58711 H2 TIP3 17467 33.247 -4.704 35.512 1.00 0.00 WAT +ATOM 58712 OH2 TIP3 17468 39.296 -4.625 38.866 1.00 0.00 WAT +ATOM 58713 H1 TIP3 17468 40.259 -4.701 38.759 1.00 0.00 WAT +ATOM 58714 H2 TIP3 17468 39.128 -5.299 39.533 1.00 0.00 WAT +ATOM 58715 OH2 TIP3 17469 33.830 10.742 35.919 1.00 0.00 WAT +ATOM 58716 H1 TIP3 17469 33.160 10.617 35.229 1.00 0.00 WAT +ATOM 58717 H2 TIP3 17469 33.762 11.699 36.046 1.00 0.00 WAT +ATOM 58718 OH2 TIP3 17470 35.353 -3.332 33.166 1.00 0.00 WAT +ATOM 58719 H1 TIP3 17470 35.912 -3.985 32.714 1.00 0.00 WAT +ATOM 58720 H2 TIP3 17470 35.947 -3.047 33.888 1.00 0.00 WAT +ATOM 58721 OH2 TIP3 17471 40.840 -3.191 35.762 1.00 0.00 WAT +ATOM 58722 H1 TIP3 17471 40.578 -3.887 36.383 1.00 0.00 WAT +ATOM 58723 H2 TIP3 17471 40.534 -2.389 36.214 1.00 0.00 WAT +ATOM 58724 OH2 TIP3 17472 42.630 12.386 34.027 1.00 0.00 WAT +ATOM 58725 H1 TIP3 17472 43.509 12.766 33.852 1.00 0.00 WAT +ATOM 58726 H2 TIP3 17472 42.493 11.804 33.259 1.00 0.00 WAT +ATOM 58727 OH2 TIP3 17473 35.252 11.720 32.719 1.00 0.00 WAT +ATOM 58728 H1 TIP3 17473 34.964 11.965 33.612 1.00 0.00 WAT +ATOM 58729 H2 TIP3 17473 36.001 11.127 32.895 1.00 0.00 WAT +ATOM 58730 OH2 TIP3 17474 -31.731 22.871 39.283 1.00 0.00 WAT +ATOM 58731 H1 TIP3 17474 -31.608 23.835 39.308 1.00 0.00 WAT +ATOM 58732 H2 TIP3 17474 -32.362 22.781 38.556 1.00 0.00 WAT +ATOM 58733 OH2 TIP3 17475 -32.715 22.273 42.473 1.00 0.00 WAT +ATOM 58734 H1 TIP3 17475 -32.758 21.502 43.061 1.00 0.00 WAT +ATOM 58735 H2 TIP3 17475 -32.789 21.875 41.594 1.00 0.00 WAT +ATOM 58736 OH2 TIP3 17476 -29.177 25.043 40.388 1.00 0.00 WAT +ATOM 58737 H1 TIP3 17476 -29.542 24.361 40.973 1.00 0.00 WAT +ATOM 58738 H2 TIP3 17476 -28.804 25.633 41.080 1.00 0.00 WAT +ATOM 58739 OH2 TIP3 17477 -39.528 26.521 42.475 1.00 0.00 WAT +ATOM 58740 H1 TIP3 17477 -39.883 25.648 42.254 1.00 0.00 WAT +ATOM 58741 H2 TIP3 17477 -38.574 26.310 42.492 1.00 0.00 WAT +ATOM 58742 OH2 TIP3 17478 -42.231 20.271 36.469 1.00 0.00 WAT +ATOM 58743 H1 TIP3 17478 -42.385 21.057 37.017 1.00 0.00 WAT +ATOM 58744 H2 TIP3 17478 -43.062 19.798 36.607 1.00 0.00 WAT +ATOM 58745 OH2 TIP3 17479 -41.940 22.073 39.325 1.00 0.00 WAT +ATOM 58746 H1 TIP3 17479 -41.941 21.802 40.253 1.00 0.00 WAT +ATOM 58747 H2 TIP3 17479 -41.204 22.696 39.323 1.00 0.00 WAT +ATOM 58748 OH2 TIP3 17480 -32.082 30.440 41.120 1.00 0.00 WAT +ATOM 58749 H1 TIP3 17480 -31.456 29.752 40.837 1.00 0.00 WAT +ATOM 58750 H2 TIP3 17480 -32.363 30.139 41.999 1.00 0.00 WAT +ATOM 58751 OH2 TIP3 17481 -34.665 24.544 42.803 1.00 0.00 WAT +ATOM 58752 H1 TIP3 17481 -34.225 23.892 42.234 1.00 0.00 WAT +ATOM 58753 H2 TIP3 17481 -33.859 24.927 43.209 1.00 0.00 WAT +ATOM 58754 OH2 TIP3 17482 -31.205 19.280 43.230 1.00 0.00 WAT +ATOM 58755 H1 TIP3 17482 -30.739 18.445 43.389 1.00 0.00 WAT +ATOM 58756 H2 TIP3 17482 -31.097 19.399 42.267 1.00 0.00 WAT +ATOM 58757 OH2 TIP3 17483 -38.076 17.175 40.416 1.00 0.00 WAT +ATOM 58758 H1 TIP3 17483 -37.885 18.023 39.975 1.00 0.00 WAT +ATOM 58759 H2 TIP3 17483 -38.405 16.652 39.661 1.00 0.00 WAT +ATOM 58760 OH2 TIP3 17484 -30.183 17.375 38.715 1.00 0.00 WAT +ATOM 58761 H1 TIP3 17484 -29.626 16.931 39.395 1.00 0.00 WAT +ATOM 58762 H2 TIP3 17484 -29.493 17.793 38.174 1.00 0.00 WAT +ATOM 58763 OH2 TIP3 17485 -41.215 19.803 41.089 1.00 0.00 WAT +ATOM 58764 H1 TIP3 17485 -40.728 19.219 41.675 1.00 0.00 WAT +ATOM 58765 H2 TIP3 17485 -41.070 19.373 40.229 1.00 0.00 WAT +ATOM 58766 OH2 TIP3 17486 -36.018 21.258 40.545 1.00 0.00 WAT +ATOM 58767 H1 TIP3 17486 -35.263 20.711 40.828 1.00 0.00 WAT +ATOM 58768 H2 TIP3 17486 -36.465 20.657 39.920 1.00 0.00 WAT +ATOM 58769 OH2 TIP3 17487 -31.743 25.726 37.943 1.00 0.00 WAT +ATOM 58770 H1 TIP3 17487 -32.008 25.539 37.040 1.00 0.00 WAT +ATOM 58771 H2 TIP3 17487 -32.152 26.593 38.113 1.00 0.00 WAT +ATOM 58772 OH2 TIP3 17488 -28.383 16.575 40.733 1.00 0.00 WAT +ATOM 58773 H1 TIP3 17488 -28.558 15.908 41.414 1.00 0.00 WAT +ATOM 58774 H2 TIP3 17488 -27.842 17.192 41.259 1.00 0.00 WAT +ATOM 58775 OH2 TIP3 17489 -38.768 18.097 42.974 1.00 0.00 WAT +ATOM 58776 H1 TIP3 17489 -38.985 19.018 42.793 1.00 0.00 WAT +ATOM 58777 H2 TIP3 17489 -38.856 17.662 42.104 1.00 0.00 WAT +ATOM 58778 OH2 TIP3 17490 -41.832 25.344 36.304 1.00 0.00 WAT +ATOM 58779 H1 TIP3 17490 -42.634 25.557 35.788 1.00 0.00 WAT +ATOM 58780 H2 TIP3 17490 -41.874 25.992 37.033 1.00 0.00 WAT +ATOM 58781 OH2 TIP3 17491 -28.406 26.355 42.586 1.00 0.00 WAT +ATOM 58782 H1 TIP3 17491 -29.036 26.237 43.324 1.00 0.00 WAT +ATOM 58783 H2 TIP3 17491 -27.721 26.886 42.998 1.00 0.00 WAT +ATOM 58784 OH2 TIP3 17492 -35.098 13.549 41.780 1.00 0.00 WAT +ATOM 58785 H1 TIP3 17492 -35.146 12.578 41.820 1.00 0.00 WAT +ATOM 58786 H2 TIP3 17492 -35.932 13.800 42.223 1.00 0.00 WAT +ATOM 58787 OH2 TIP3 17493 -30.192 28.844 39.646 1.00 0.00 WAT +ATOM 58788 H1 TIP3 17493 -29.732 28.036 39.340 1.00 0.00 WAT +ATOM 58789 H2 TIP3 17493 -29.524 29.527 39.451 1.00 0.00 WAT +ATOM 58790 OH2 TIP3 17494 -28.775 26.726 38.224 1.00 0.00 WAT +ATOM 58791 H1 TIP3 17494 -29.225 26.210 37.542 1.00 0.00 WAT +ATOM 58792 H2 TIP3 17494 -28.801 26.087 38.968 1.00 0.00 WAT +ATOM 58793 OH2 TIP3 17495 -32.971 22.410 36.413 1.00 0.00 WAT +ATOM 58794 H1 TIP3 17495 -33.605 23.040 36.023 1.00 0.00 WAT +ATOM 58795 H2 TIP3 17495 -32.220 22.472 35.796 1.00 0.00 WAT +ATOM 58796 OH2 TIP3 17496 -32.672 20.623 33.432 1.00 0.00 WAT +ATOM 58797 H1 TIP3 17496 -32.017 20.930 34.088 1.00 0.00 WAT +ATOM 58798 H2 TIP3 17496 -32.114 20.047 32.889 1.00 0.00 WAT +ATOM 58799 OH2 TIP3 17497 -29.506 22.431 37.484 1.00 0.00 WAT +ATOM 58800 H1 TIP3 17497 -30.096 22.630 38.236 1.00 0.00 WAT +ATOM 58801 H2 TIP3 17497 -28.816 21.896 37.935 1.00 0.00 WAT +ATOM 58802 OH2 TIP3 17498 -37.768 23.247 39.222 1.00 0.00 WAT +ATOM 58803 H1 TIP3 17498 -38.168 22.780 38.466 1.00 0.00 WAT +ATOM 58804 H2 TIP3 17498 -37.218 22.557 39.627 1.00 0.00 WAT +ATOM 58805 OH2 TIP3 17499 -36.835 26.312 41.589 1.00 0.00 WAT +ATOM 58806 H1 TIP3 17499 -36.586 25.990 40.713 1.00 0.00 WAT +ATOM 58807 H2 TIP3 17499 -35.988 26.351 42.054 1.00 0.00 WAT +ATOM 58808 OH2 TIP3 17500 -37.678 21.953 42.698 1.00 0.00 WAT +ATOM 58809 H1 TIP3 17500 -36.977 21.912 42.021 1.00 0.00 WAT +ATOM 58810 H2 TIP3 17500 -37.241 22.412 43.426 1.00 0.00 WAT +ATOM 58811 OH2 TIP3 17501 -30.533 21.957 34.921 1.00 0.00 WAT +ATOM 58812 H1 TIP3 17501 -30.034 22.148 35.745 1.00 0.00 WAT +ATOM 58813 H2 TIP3 17501 -29.990 22.448 34.258 1.00 0.00 WAT +ATOM 58814 OH2 TIP3 17502 -33.026 28.479 38.510 1.00 0.00 WAT +ATOM 58815 H1 TIP3 17502 -32.561 28.785 39.297 1.00 0.00 WAT +ATOM 58816 H2 TIP3 17502 -33.534 29.261 38.246 1.00 0.00 WAT +ATOM 58817 OH2 TIP3 17503 -27.066 13.579 34.430 1.00 0.00 WAT +ATOM 58818 H1 TIP3 17503 -27.905 13.724 34.904 1.00 0.00 WAT +ATOM 58819 H2 TIP3 17503 -26.686 14.475 34.422 1.00 0.00 WAT +ATOM 58820 OH2 TIP3 17504 -38.893 21.912 36.745 1.00 0.00 WAT +ATOM 58821 H1 TIP3 17504 -39.158 22.705 36.250 1.00 0.00 WAT +ATOM 58822 H2 TIP3 17504 -39.626 21.308 36.563 1.00 0.00 WAT +ATOM 58823 OH2 TIP3 17505 -25.665 27.758 32.933 1.00 0.00 WAT +ATOM 58824 H1 TIP3 17505 -25.505 28.679 33.220 1.00 0.00 WAT +ATOM 58825 H2 TIP3 17505 -24.810 27.335 33.154 1.00 0.00 WAT +ATOM 58826 OH2 TIP3 17506 -42.921 27.496 42.163 1.00 0.00 WAT +ATOM 58827 H1 TIP3 17506 -42.076 27.114 42.433 1.00 0.00 WAT +ATOM 58828 H2 TIP3 17506 -43.054 28.112 42.894 1.00 0.00 WAT +ATOM 58829 OH2 TIP3 17507 -33.467 31.182 36.982 1.00 0.00 WAT +ATOM 58830 H1 TIP3 17507 -33.479 31.327 36.022 1.00 0.00 WAT +ATOM 58831 H2 TIP3 17507 -33.473 32.087 37.337 1.00 0.00 WAT +ATOM 58832 OH2 TIP3 17508 -39.769 30.285 38.610 1.00 0.00 WAT +ATOM 58833 H1 TIP3 17508 -39.502 29.908 39.476 1.00 0.00 WAT +ATOM 58834 H2 TIP3 17508 -40.585 29.786 38.462 1.00 0.00 WAT +ATOM 58835 OH2 TIP3 17509 -30.211 30.593 34.153 1.00 0.00 WAT +ATOM 58836 H1 TIP3 17509 -29.616 29.943 33.734 1.00 0.00 WAT +ATOM 58837 H2 TIP3 17509 -30.253 30.250 35.070 1.00 0.00 WAT +ATOM 58838 OH2 TIP3 17510 -30.793 30.037 36.966 1.00 0.00 WAT +ATOM 58839 H1 TIP3 17510 -31.740 30.195 37.140 1.00 0.00 WAT +ATOM 58840 H2 TIP3 17510 -30.625 29.318 37.600 1.00 0.00 WAT +ATOM 58841 OH2 TIP3 17511 -37.533 14.445 42.914 1.00 0.00 WAT +ATOM 58842 H1 TIP3 17511 -38.366 14.301 42.425 1.00 0.00 WAT +ATOM 58843 H2 TIP3 17511 -37.521 15.407 43.051 1.00 0.00 WAT +ATOM 58844 OH2 TIP3 17512 -28.959 23.033 32.911 1.00 0.00 WAT +ATOM 58845 H1 TIP3 17512 -29.071 22.744 31.989 1.00 0.00 WAT +ATOM 58846 H2 TIP3 17512 -27.993 23.130 32.973 1.00 0.00 WAT +ATOM 58847 OH2 TIP3 17513 -33.387 16.803 33.371 1.00 0.00 WAT +ATOM 58848 H1 TIP3 17513 -33.774 16.639 34.243 1.00 0.00 WAT +ATOM 58849 H2 TIP3 17513 -33.693 16.023 32.879 1.00 0.00 WAT +ATOM 58850 OH2 TIP3 17514 -37.673 19.491 38.838 1.00 0.00 WAT +ATOM 58851 H1 TIP3 17514 -38.630 19.449 38.661 1.00 0.00 WAT +ATOM 58852 H2 TIP3 17514 -37.319 19.298 37.950 1.00 0.00 WAT +ATOM 58853 OH2 TIP3 17515 -32.094 20.056 37.625 1.00 0.00 WAT +ATOM 58854 H1 TIP3 17515 -32.485 20.884 37.272 1.00 0.00 WAT +ATOM 58855 H2 TIP3 17515 -31.367 19.911 36.995 1.00 0.00 WAT +ATOM 58856 OH2 TIP3 17516 -31.290 19.468 40.433 1.00 0.00 WAT +ATOM 58857 H1 TIP3 17516 -31.542 20.035 39.677 1.00 0.00 WAT +ATOM 58858 H2 TIP3 17516 -31.045 18.656 39.942 1.00 0.00 WAT +ATOM 58859 OH2 TIP3 17517 -36.991 17.147 32.290 1.00 0.00 WAT +ATOM 58860 H1 TIP3 17517 -37.113 16.828 33.211 1.00 0.00 WAT +ATOM 58861 H2 TIP3 17517 -37.906 17.193 32.001 1.00 0.00 WAT +ATOM 58862 OH2 TIP3 17518 -43.205 17.182 39.382 1.00 0.00 WAT +ATOM 58863 H1 TIP3 17518 -42.971 17.012 40.313 1.00 0.00 WAT +ATOM 58864 H2 TIP3 17518 -42.767 16.451 38.941 1.00 0.00 WAT +ATOM 58865 OH2 TIP3 17519 -42.071 17.547 35.228 1.00 0.00 WAT +ATOM 58866 H1 TIP3 17519 -41.456 17.897 34.566 1.00 0.00 WAT +ATOM 58867 H2 TIP3 17519 -42.876 18.044 35.052 1.00 0.00 WAT +ATOM 58868 OH2 TIP3 17520 -34.993 17.133 39.839 1.00 0.00 WAT +ATOM 58869 H1 TIP3 17520 -35.912 17.011 40.127 1.00 0.00 WAT +ATOM 58870 H2 TIP3 17520 -34.500 16.865 40.633 1.00 0.00 WAT +ATOM 58871 OH2 TIP3 17521 -40.395 18.358 38.463 1.00 0.00 WAT +ATOM 58872 H1 TIP3 17521 -41.177 18.465 37.906 1.00 0.00 WAT +ATOM 58873 H2 TIP3 17521 -40.025 17.519 38.128 1.00 0.00 WAT +ATOM 58874 OH2 TIP3 17522 -36.717 18.615 36.157 1.00 0.00 WAT +ATOM 58875 H1 TIP3 17522 -35.753 18.682 36.297 1.00 0.00 WAT +ATOM 58876 H2 TIP3 17522 -36.908 19.322 35.521 1.00 0.00 WAT +ATOM 58877 OH2 TIP3 17523 -30.552 15.759 42.806 1.00 0.00 WAT +ATOM 58878 H1 TIP3 17523 -30.925 16.086 43.637 1.00 0.00 WAT +ATOM 58879 H2 TIP3 17523 -31.292 15.821 42.185 1.00 0.00 WAT +ATOM 58880 OH2 TIP3 17524 -38.287 19.932 33.909 1.00 0.00 WAT +ATOM 58881 H1 TIP3 17524 -38.831 19.528 33.220 1.00 0.00 WAT +ATOM 58882 H2 TIP3 17524 -37.442 20.092 33.454 1.00 0.00 WAT +ATOM 58883 OH2 TIP3 17525 -34.022 19.493 41.900 1.00 0.00 WAT +ATOM 58884 H1 TIP3 17525 -33.283 19.198 41.344 1.00 0.00 WAT +ATOM 58885 H2 TIP3 17525 -33.964 18.867 42.636 1.00 0.00 WAT +ATOM 58886 OH2 TIP3 17526 -38.726 16.007 37.895 1.00 0.00 WAT +ATOM 58887 H1 TIP3 17526 -39.147 15.143 37.999 1.00 0.00 WAT +ATOM 58888 H2 TIP3 17526 -37.875 15.766 37.500 1.00 0.00 WAT +ATOM 58889 OH2 TIP3 17527 -34.784 24.483 35.820 1.00 0.00 WAT +ATOM 58890 H1 TIP3 17527 -35.552 23.979 35.480 1.00 0.00 WAT +ATOM 58891 H2 TIP3 17527 -34.960 24.518 36.787 1.00 0.00 WAT +ATOM 58892 OH2 TIP3 17528 -30.629 17.289 33.556 1.00 0.00 WAT +ATOM 58893 H1 TIP3 17528 -31.609 17.318 33.546 1.00 0.00 WAT +ATOM 58894 H2 TIP3 17528 -30.388 18.010 34.176 1.00 0.00 WAT +ATOM 58895 OH2 TIP3 17529 -29.994 19.157 35.573 1.00 0.00 WAT +ATOM 58896 H1 TIP3 17529 -29.138 18.967 36.011 1.00 0.00 WAT +ATOM 58897 H2 TIP3 17529 -29.812 20.024 35.169 1.00 0.00 WAT +ATOM 58898 OH2 TIP3 17530 -39.722 23.384 41.502 1.00 0.00 WAT +ATOM 58899 H1 TIP3 17530 -39.041 23.671 40.873 1.00 0.00 WAT +ATOM 58900 H2 TIP3 17530 -39.181 22.835 42.102 1.00 0.00 WAT +ATOM 58901 OH2 TIP3 17531 -32.392 25.844 34.713 1.00 0.00 WAT +ATOM 58902 H1 TIP3 17531 -32.641 26.701 35.117 1.00 0.00 WAT +ATOM 58903 H2 TIP3 17531 -33.127 25.283 35.020 1.00 0.00 WAT +ATOM 58904 OH2 TIP3 17532 -27.182 27.716 35.443 1.00 0.00 WAT +ATOM 58905 H1 TIP3 17532 -27.399 26.971 36.025 1.00 0.00 WAT +ATOM 58906 H2 TIP3 17532 -26.566 27.317 34.816 1.00 0.00 WAT +ATOM 58907 OH2 TIP3 17533 -30.027 23.235 42.479 1.00 0.00 WAT +ATOM 58908 H1 TIP3 17533 -30.920 22.907 42.683 1.00 0.00 WAT +ATOM 58909 H2 TIP3 17533 -29.636 22.472 42.009 1.00 0.00 WAT +ATOM 58910 OH2 TIP3 17534 -37.254 27.128 38.706 1.00 0.00 WAT +ATOM 58911 H1 TIP3 17534 -36.860 28.013 38.761 1.00 0.00 WAT +ATOM 58912 H2 TIP3 17534 -38.197 27.341 38.693 1.00 0.00 WAT +ATOM 58913 OH2 TIP3 17535 -41.514 22.114 33.597 1.00 0.00 WAT +ATOM 58914 H1 TIP3 17535 -40.804 22.667 33.980 1.00 0.00 WAT +ATOM 58915 H2 TIP3 17535 -42.281 22.679 33.764 1.00 0.00 WAT +ATOM 58916 OH2 TIP3 17536 -35.438 24.848 38.584 1.00 0.00 WAT +ATOM 58917 H1 TIP3 17536 -35.773 25.760 38.609 1.00 0.00 WAT +ATOM 58918 H2 TIP3 17536 -36.206 24.352 38.917 1.00 0.00 WAT +ATOM 58919 OH2 TIP3 17537 -36.808 30.074 38.086 1.00 0.00 WAT +ATOM 58920 H1 TIP3 17537 -37.762 30.191 38.212 1.00 0.00 WAT +ATOM 58921 H2 TIP3 17537 -36.466 30.938 38.392 1.00 0.00 WAT +ATOM 58922 OH2 TIP3 17538 -29.715 26.167 33.370 1.00 0.00 WAT +ATOM 58923 H1 TIP3 17538 -29.255 25.710 34.099 1.00 0.00 WAT +ATOM 58924 H2 TIP3 17538 -30.631 26.003 33.654 1.00 0.00 WAT +ATOM 58925 OH2 TIP3 17539 -24.950 30.413 33.895 1.00 0.00 WAT +ATOM 58926 H1 TIP3 17539 -24.252 31.057 33.689 1.00 0.00 WAT +ATOM 58927 H2 TIP3 17539 -25.716 31.016 33.914 1.00 0.00 WAT +ATOM 58928 OH2 TIP3 17540 -28.703 24.794 35.752 1.00 0.00 WAT +ATOM 58929 H1 TIP3 17540 -28.983 24.050 36.315 1.00 0.00 WAT +ATOM 58930 H2 TIP3 17540 -27.733 24.726 35.820 1.00 0.00 WAT +ATOM 58931 OH2 TIP3 17541 -35.447 27.183 31.914 1.00 0.00 WAT +ATOM 58932 H1 TIP3 17541 -35.133 26.377 31.466 1.00 0.00 WAT +ATOM 58933 H2 TIP3 17541 -35.861 26.813 32.714 1.00 0.00 WAT +ATOM 58934 OH2 TIP3 17542 -36.602 26.719 34.633 1.00 0.00 WAT +ATOM 58935 H1 TIP3 17542 -36.116 26.200 35.291 1.00 0.00 WAT +ATOM 58936 H2 TIP3 17542 -36.480 27.633 34.971 1.00 0.00 WAT +ATOM 58937 OH2 TIP3 17543 -39.862 24.131 34.990 1.00 0.00 WAT +ATOM 58938 H1 TIP3 17543 -40.565 24.535 35.555 1.00 0.00 WAT +ATOM 58939 H2 TIP3 17543 -39.366 24.936 34.769 1.00 0.00 WAT +ATOM 58940 OH2 TIP3 17544 -31.478 16.105 36.302 1.00 0.00 WAT +ATOM 58941 H1 TIP3 17544 -31.211 16.643 35.541 1.00 0.00 WAT +ATOM 58942 H2 TIP3 17544 -31.012 16.553 37.030 1.00 0.00 WAT +ATOM 58943 OH2 TIP3 17545 -33.673 28.315 35.261 1.00 0.00 WAT +ATOM 58944 H1 TIP3 17545 -34.465 28.831 35.487 1.00 0.00 WAT +ATOM 58945 H2 TIP3 17545 -33.285 28.849 34.557 1.00 0.00 WAT +ATOM 58946 OH2 TIP3 17546 -34.096 18.085 37.255 1.00 0.00 WAT +ATOM 58947 H1 TIP3 17546 -33.309 18.654 37.396 1.00 0.00 WAT +ATOM 58948 H2 TIP3 17546 -34.349 17.877 38.176 1.00 0.00 WAT +ATOM 58949 OH2 TIP3 17547 -33.498 15.077 38.173 1.00 0.00 WAT +ATOM 58950 H1 TIP3 17547 -33.609 15.692 38.919 1.00 0.00 WAT +ATOM 58951 H2 TIP3 17547 -32.722 15.470 37.726 1.00 0.00 WAT +ATOM 58952 OH2 TIP3 17548 -36.466 29.420 35.271 1.00 0.00 WAT +ATOM 58953 H1 TIP3 17548 -36.516 30.247 34.747 1.00 0.00 WAT +ATOM 58954 H2 TIP3 17548 -36.593 29.749 36.182 1.00 0.00 WAT +ATOM 58955 OH2 TIP3 17549 -37.707 16.122 34.771 1.00 0.00 WAT +ATOM 58956 H1 TIP3 17549 -37.647 16.887 35.373 1.00 0.00 WAT +ATOM 58957 H2 TIP3 17549 -36.924 15.607 35.055 1.00 0.00 WAT +ATOM 58958 OH2 TIP3 17550 -28.977 20.853 41.474 1.00 0.00 WAT +ATOM 58959 H1 TIP3 17550 -29.715 20.389 41.045 1.00 0.00 WAT +ATOM 58960 H2 TIP3 17550 -28.394 20.100 41.725 1.00 0.00 WAT +ATOM 58961 OH2 TIP3 17551 -39.302 26.995 33.814 1.00 0.00 WAT +ATOM 58962 H1 TIP3 17551 -38.546 27.431 34.238 1.00 0.00 WAT +ATOM 58963 H2 TIP3 17551 -38.835 26.437 33.177 1.00 0.00 WAT +ATOM 58964 OH2 TIP3 17552 -41.015 19.168 32.770 1.00 0.00 WAT +ATOM 58965 H1 TIP3 17552 -41.007 20.052 33.176 1.00 0.00 WAT +ATOM 58966 H2 TIP3 17552 -41.945 18.993 32.618 1.00 0.00 WAT +ATOM 58967 OH2 TIP3 17553 -27.638 30.661 43.154 1.00 0.00 WAT +ATOM 58968 H1 TIP3 17553 -28.281 30.494 42.458 1.00 0.00 WAT +ATOM 58969 H2 TIP3 17553 -26.821 30.260 42.840 1.00 0.00 WAT +ATOM 58970 OH2 TIP3 17554 -40.234 14.016 41.679 1.00 0.00 WAT +ATOM 58971 H1 TIP3 17554 -40.589 14.076 40.774 1.00 0.00 WAT +ATOM 58972 H2 TIP3 17554 -40.733 13.275 42.054 1.00 0.00 WAT +ATOM 58973 OH2 TIP3 17555 -41.390 27.696 37.950 1.00 0.00 WAT +ATOM 58974 H1 TIP3 17555 -42.274 28.084 38.041 1.00 0.00 WAT +ATOM 58975 H2 TIP3 17555 -41.030 28.175 37.194 1.00 0.00 WAT +ATOM 58976 OH2 TIP3 17556 -33.229 28.921 32.395 1.00 0.00 WAT +ATOM 58977 H1 TIP3 17556 -33.989 28.302 32.355 1.00 0.00 WAT +ATOM 58978 H2 TIP3 17556 -32.521 28.338 32.084 1.00 0.00 WAT +ATOM 58979 OH2 TIP3 17557 -28.600 28.798 32.513 1.00 0.00 WAT +ATOM 58980 H1 TIP3 17557 -28.459 28.019 33.079 1.00 0.00 WAT +ATOM 58981 H2 TIP3 17557 -27.767 28.831 32.014 1.00 0.00 WAT +ATOM 58982 OH2 TIP3 17558 -37.810 24.615 32.274 1.00 0.00 WAT +ATOM 58983 H1 TIP3 17558 -37.618 24.059 33.049 1.00 0.00 WAT +ATOM 58984 H2 TIP3 17558 -36.949 24.607 31.821 1.00 0.00 WAT +ATOM 58985 OH2 TIP3 17559 -32.567 25.966 31.874 1.00 0.00 WAT +ATOM 58986 H1 TIP3 17559 -32.587 25.932 32.849 1.00 0.00 WAT +ATOM 58987 H2 TIP3 17559 -32.619 25.007 31.674 1.00 0.00 WAT +ATOM 58988 OH2 TIP3 17560 -36.740 22.732 34.590 1.00 0.00 WAT +ATOM 58989 H1 TIP3 17560 -37.340 22.241 35.173 1.00 0.00 WAT +ATOM 58990 H2 TIP3 17560 -36.434 22.030 33.984 1.00 0.00 WAT +ATOM 58991 OH2 TIP3 17561 -35.761 20.702 32.834 1.00 0.00 WAT +ATOM 58992 H1 TIP3 17561 -35.756 20.854 31.871 1.00 0.00 WAT +ATOM 58993 H2 TIP3 17561 -34.804 20.682 33.031 1.00 0.00 WAT +ATOM 58994 OH2 TIP3 17562 -26.162 23.267 32.188 1.00 0.00 WAT +ATOM 58995 H1 TIP3 17562 -26.309 22.806 31.351 1.00 0.00 WAT +ATOM 58996 H2 TIP3 17562 -26.330 24.198 31.940 1.00 0.00 WAT +ATOM 58997 OH2 TIP3 17563 -35.993 31.960 33.959 1.00 0.00 WAT +ATOM 58998 H1 TIP3 17563 -35.045 32.095 34.095 1.00 0.00 WAT +ATOM 58999 H2 TIP3 17563 -36.125 32.430 33.126 1.00 0.00 WAT +ATOM 59000 OH2 TIP3 17564 -41.973 26.894 33.053 1.00 0.00 WAT +ATOM 59001 H1 TIP3 17564 -41.204 26.798 33.647 1.00 0.00 WAT +ATOM 59002 H2 TIP3 17564 -42.204 25.977 32.845 1.00 0.00 WAT +ATOM 59003 OH2 TIP3 17565 -42.751 29.638 40.171 1.00 0.00 WAT +ATOM 59004 H1 TIP3 17565 -42.746 28.743 40.558 1.00 0.00 WAT +ATOM 59005 H2 TIP3 17565 -42.438 30.115 40.962 1.00 0.00 WAT +ATOM 59006 OH2 TIP3 17566 -24.884 31.024 42.719 1.00 0.00 WAT +ATOM 59007 H1 TIP3 17566 -25.123 30.869 43.650 1.00 0.00 WAT +ATOM 59008 H2 TIP3 17566 -23.918 30.951 42.774 1.00 0.00 WAT +ATOM 59009 OH2 TIP3 17567 -25.859 24.685 36.154 1.00 0.00 WAT +ATOM 59010 H1 TIP3 17567 -24.937 24.898 36.377 1.00 0.00 WAT +ATOM 59011 H2 TIP3 17567 -25.998 23.948 36.780 1.00 0.00 WAT +ATOM 59012 OH2 TIP3 17568 -25.431 22.780 38.253 1.00 0.00 WAT +ATOM 59013 H1 TIP3 17568 -25.870 21.916 38.289 1.00 0.00 WAT +ATOM 59014 H2 TIP3 17568 -24.644 22.622 38.806 1.00 0.00 WAT +ATOM 59015 OH2 TIP3 17569 -25.644 24.918 43.313 1.00 0.00 WAT +ATOM 59016 H1 TIP3 17569 -25.077 24.368 42.757 1.00 0.00 WAT +ATOM 59017 H2 TIP3 17569 -25.612 25.774 42.868 1.00 0.00 WAT +ATOM 59018 OH2 TIP3 17570 -25.628 21.931 34.689 1.00 0.00 WAT +ATOM 59019 H1 TIP3 17570 -25.683 22.433 33.864 1.00 0.00 WAT +ATOM 59020 H2 TIP3 17570 -25.163 22.492 35.313 1.00 0.00 WAT +ATOM 59021 OH2 TIP3 17571 -27.143 19.610 32.896 1.00 0.00 WAT +ATOM 59022 H1 TIP3 17571 -26.427 20.122 32.511 1.00 0.00 WAT +ATOM 59023 H2 TIP3 17571 -26.931 18.696 32.655 1.00 0.00 WAT +ATOM 59024 OH2 TIP3 17572 -27.744 20.701 38.862 1.00 0.00 WAT +ATOM 59025 H1 TIP3 17572 -27.526 19.762 38.750 1.00 0.00 WAT +ATOM 59026 H2 TIP3 17572 -27.851 20.796 39.820 1.00 0.00 WAT +ATOM 59027 OH2 TIP3 17573 -42.168 23.522 43.174 1.00 0.00 WAT +ATOM 59028 H1 TIP3 17573 -42.671 23.258 42.385 1.00 0.00 WAT +ATOM 59029 H2 TIP3 17573 -41.409 22.928 43.132 1.00 0.00 WAT +ATOM 59030 OH2 TIP3 17574 -27.353 16.860 32.056 1.00 0.00 WAT +ATOM 59031 H1 TIP3 17574 -26.770 16.473 32.740 1.00 0.00 WAT +ATOM 59032 H2 TIP3 17574 -28.197 16.416 32.200 1.00 0.00 WAT +ATOM 59033 OH2 TIP3 17575 -27.685 18.230 37.102 1.00 0.00 WAT +ATOM 59034 H1 TIP3 17575 -27.312 17.327 37.127 1.00 0.00 WAT +ATOM 59035 H2 TIP3 17575 -26.876 18.737 36.888 1.00 0.00 WAT +ATOM 59036 OH2 TIP3 17576 -27.397 18.841 42.203 1.00 0.00 WAT +ATOM 59037 H1 TIP3 17576 -26.435 18.841 42.330 1.00 0.00 WAT +ATOM 59038 H2 TIP3 17576 -27.730 18.787 43.115 1.00 0.00 WAT +ATOM 59039 OH2 TIP3 17577 -27.092 15.385 37.061 1.00 0.00 WAT +ATOM 59040 H1 TIP3 17577 -26.992 15.089 37.983 1.00 0.00 WAT +ATOM 59041 H2 TIP3 17577 -27.912 14.927 36.795 1.00 0.00 WAT +ATOM 59042 OH2 TIP3 17578 -41.684 16.906 41.936 1.00 0.00 WAT +ATOM 59043 H1 TIP3 17578 -41.696 15.950 42.097 1.00 0.00 WAT +ATOM 59044 H2 TIP3 17578 -41.113 17.194 42.657 1.00 0.00 WAT +ATOM 59045 OH2 TIP3 17579 -43.433 19.446 43.180 1.00 0.00 WAT +ATOM 59046 H1 TIP3 17579 -43.071 18.988 42.406 1.00 0.00 WAT +ATOM 59047 H2 TIP3 17579 -43.003 20.307 43.109 1.00 0.00 WAT +ATOM 59048 OH2 TIP3 17580 -25.271 15.852 33.659 1.00 0.00 WAT +ATOM 59049 H1 TIP3 17580 -24.797 15.090 33.286 1.00 0.00 WAT +ATOM 59050 H2 TIP3 17580 -24.532 16.419 33.969 1.00 0.00 WAT +ATOM 59051 OH2 TIP3 17581 -43.156 15.420 36.479 1.00 0.00 WAT +ATOM 59052 H1 TIP3 17581 -44.006 15.730 36.133 1.00 0.00 WAT +ATOM 59053 H2 TIP3 17581 -42.565 16.133 36.140 1.00 0.00 WAT +ATOM 59054 OH2 TIP3 17582 -28.267 30.878 39.065 1.00 0.00 WAT +ATOM 59055 H1 TIP3 17582 -27.831 30.618 38.234 1.00 0.00 WAT +ATOM 59056 H2 TIP3 17582 -27.554 31.357 39.503 1.00 0.00 WAT +ATOM 59057 OH2 TIP3 17583 -41.545 29.969 42.645 1.00 0.00 WAT +ATOM 59058 H1 TIP3 17583 -41.353 30.025 43.594 1.00 0.00 WAT +ATOM 59059 H2 TIP3 17583 -40.637 30.003 42.307 1.00 0.00 WAT +ATOM 59060 OH2 TIP3 17584 -39.043 29.037 41.055 1.00 0.00 WAT +ATOM 59061 H1 TIP3 17584 -39.239 28.169 41.461 1.00 0.00 WAT +ATOM 59062 H2 TIP3 17584 -38.214 29.285 41.501 1.00 0.00 WAT +ATOM 59063 OH2 TIP3 17585 -36.329 29.557 42.114 1.00 0.00 WAT +ATOM 59064 H1 TIP3 17585 -36.081 28.663 41.847 1.00 0.00 WAT +ATOM 59065 H2 TIP3 17585 -36.268 29.495 43.075 1.00 0.00 WAT +ATOM 59066 OH2 TIP3 17586 -33.005 15.530 41.256 1.00 0.00 WAT +ATOM 59067 H1 TIP3 17586 -33.602 14.804 41.527 1.00 0.00 WAT +ATOM 59068 H2 TIP3 17586 -32.314 15.039 40.769 1.00 0.00 WAT +ATOM 59069 OH2 TIP3 17587 -28.009 13.552 41.573 1.00 0.00 WAT +ATOM 59070 H1 TIP3 17587 -27.260 13.987 41.126 1.00 0.00 WAT +ATOM 59071 H2 TIP3 17587 -28.774 13.888 41.086 1.00 0.00 WAT +ATOM 59072 OH2 TIP3 17588 -25.994 14.517 39.615 1.00 0.00 WAT +ATOM 59073 H1 TIP3 17588 -25.255 14.132 39.114 1.00 0.00 WAT +ATOM 59074 H2 TIP3 17588 -25.643 15.423 39.778 1.00 0.00 WAT +ATOM 59075 OH2 TIP3 17589 -41.079 14.026 38.848 1.00 0.00 WAT +ATOM 59076 H1 TIP3 17589 -41.798 13.710 38.289 1.00 0.00 WAT +ATOM 59077 H2 TIP3 17589 -40.444 13.291 38.769 1.00 0.00 WAT +ATOM 59078 OH2 TIP3 17590 -41.833 13.637 34.669 1.00 0.00 WAT +ATOM 59079 H1 TIP3 17590 -41.326 14.317 34.188 1.00 0.00 WAT +ATOM 59080 H2 TIP3 17590 -42.340 14.188 35.295 1.00 0.00 WAT +ATOM 59081 OH2 TIP3 17591 -36.139 13.946 38.917 1.00 0.00 WAT +ATOM 59082 H1 TIP3 17591 -35.246 14.273 38.711 1.00 0.00 WAT +ATOM 59083 H2 TIP3 17591 -36.073 13.816 39.874 1.00 0.00 WAT +ATOM 59084 OH2 TIP3 17592 -30.680 14.070 40.040 1.00 0.00 WAT +ATOM 59085 H1 TIP3 17592 -30.254 13.814 39.211 1.00 0.00 WAT +ATOM 59086 H2 TIP3 17592 -30.914 13.207 40.421 1.00 0.00 WAT +ATOM 59087 OH2 TIP3 17593 -29.459 14.024 36.167 1.00 0.00 WAT +ATOM 59088 H1 TIP3 17593 -30.281 14.524 36.018 1.00 0.00 WAT +ATOM 59089 H2 TIP3 17593 -29.800 13.124 36.306 1.00 0.00 WAT +ATOM 59090 OH2 TIP3 17594 -41.942 29.663 35.755 1.00 0.00 WAT +ATOM 59091 H1 TIP3 17594 -42.428 29.453 34.951 1.00 0.00 WAT +ATOM 59092 H2 TIP3 17594 -41.806 30.616 35.680 1.00 0.00 WAT +ATOM 59093 OH2 TIP3 17595 -40.028 15.580 33.187 1.00 0.00 WAT +ATOM 59094 H1 TIP3 17595 -39.491 14.918 32.721 1.00 0.00 WAT +ATOM 59095 H2 TIP3 17595 -39.428 15.819 33.922 1.00 0.00 WAT +ATOM 59096 OH2 TIP3 17596 -35.015 15.662 35.838 1.00 0.00 WAT +ATOM 59097 H1 TIP3 17596 -34.621 15.083 36.512 1.00 0.00 WAT +ATOM 59098 H2 TIP3 17596 -34.767 16.525 36.209 1.00 0.00 WAT +ATOM 59099 OH2 TIP3 17597 -32.948 31.447 34.032 1.00 0.00 WAT +ATOM 59100 H1 TIP3 17597 -31.973 31.444 34.015 1.00 0.00 WAT +ATOM 59101 H2 TIP3 17597 -33.140 30.771 33.364 1.00 0.00 WAT +ATOM 59102 OH2 TIP3 17598 -26.455 30.462 36.639 1.00 0.00 WAT +ATOM 59103 H1 TIP3 17598 -26.681 29.618 36.198 1.00 0.00 WAT +ATOM 59104 H2 TIP3 17598 -26.490 31.081 35.893 1.00 0.00 WAT +ATOM 59105 OH2 TIP3 17599 -40.107 30.636 32.709 1.00 0.00 WAT +ATOM 59106 H1 TIP3 17599 -40.395 30.817 33.613 1.00 0.00 WAT +ATOM 59107 H2 TIP3 17599 -39.398 29.985 32.846 1.00 0.00 WAT +ATOM 59108 OH2 TIP3 17600 -12.818 22.880 39.231 1.00 0.00 WAT +ATOM 59109 H1 TIP3 17600 -12.760 23.848 39.284 1.00 0.00 WAT +ATOM 59110 H2 TIP3 17600 -13.510 22.765 38.564 1.00 0.00 WAT +ATOM 59111 OH2 TIP3 17601 -13.804 22.273 42.461 1.00 0.00 WAT +ATOM 59112 H1 TIP3 17601 -13.901 21.538 43.090 1.00 0.00 WAT +ATOM 59113 H2 TIP3 17601 -13.969 21.842 41.612 1.00 0.00 WAT +ATOM 59114 OH2 TIP3 17602 -10.273 25.022 40.422 1.00 0.00 WAT +ATOM 59115 H1 TIP3 17602 -10.662 24.352 41.008 1.00 0.00 WAT +ATOM 59116 H2 TIP3 17602 -9.919 25.625 41.111 1.00 0.00 WAT +ATOM 59117 OH2 TIP3 17603 -20.741 26.506 42.448 1.00 0.00 WAT +ATOM 59118 H1 TIP3 17603 -20.996 25.589 42.235 1.00 0.00 WAT +ATOM 59119 H2 TIP3 17603 -19.785 26.359 42.585 1.00 0.00 WAT +ATOM 59120 OH2 TIP3 17604 -22.954 22.347 39.793 1.00 0.00 WAT +ATOM 59121 H1 TIP3 17604 -22.791 21.518 40.275 1.00 0.00 WAT +ATOM 59122 H2 TIP3 17604 -22.200 22.379 39.196 1.00 0.00 WAT +ATOM 59123 OH2 TIP3 17605 -13.387 30.332 41.097 1.00 0.00 WAT +ATOM 59124 H1 TIP3 17605 -12.619 29.785 40.861 1.00 0.00 WAT +ATOM 59125 H2 TIP3 17605 -13.547 30.090 42.028 1.00 0.00 WAT +ATOM 59126 OH2 TIP3 17606 -15.803 24.541 42.789 1.00 0.00 WAT +ATOM 59127 H1 TIP3 17606 -15.350 23.901 42.220 1.00 0.00 WAT +ATOM 59128 H2 TIP3 17606 -15.010 24.933 43.211 1.00 0.00 WAT +ATOM 59129 OH2 TIP3 17607 -12.311 19.306 43.225 1.00 0.00 WAT +ATOM 59130 H1 TIP3 17607 -11.890 18.451 43.414 1.00 0.00 WAT +ATOM 59131 H2 TIP3 17607 -12.252 19.368 42.254 1.00 0.00 WAT +ATOM 59132 OH2 TIP3 17608 -19.248 17.201 40.429 1.00 0.00 WAT +ATOM 59133 H1 TIP3 17608 -19.060 18.040 39.970 1.00 0.00 WAT +ATOM 59134 H2 TIP3 17608 -19.547 16.667 39.663 1.00 0.00 WAT +ATOM 59135 OH2 TIP3 17609 -11.283 17.398 38.719 1.00 0.00 WAT +ATOM 59136 H1 TIP3 17609 -10.735 16.923 39.383 1.00 0.00 WAT +ATOM 59137 H2 TIP3 17609 -10.595 17.788 38.161 1.00 0.00 WAT +ATOM 59138 OH2 TIP3 17610 -22.200 19.808 40.991 1.00 0.00 WAT +ATOM 59139 H1 TIP3 17610 -21.791 19.128 41.528 1.00 0.00 WAT +ATOM 59140 H2 TIP3 17610 -22.211 19.377 40.114 1.00 0.00 WAT +ATOM 59141 OH2 TIP3 17611 -17.157 21.254 40.543 1.00 0.00 WAT +ATOM 59142 H1 TIP3 17611 -16.418 20.688 40.828 1.00 0.00 WAT +ATOM 59143 H2 TIP3 17611 -17.615 20.666 39.913 1.00 0.00 WAT +ATOM 59144 OH2 TIP3 17612 -12.829 25.751 37.928 1.00 0.00 WAT +ATOM 59145 H1 TIP3 17612 -13.172 25.502 37.067 1.00 0.00 WAT +ATOM 59146 H2 TIP3 17612 -13.287 26.591 38.110 1.00 0.00 WAT +ATOM 59147 OH2 TIP3 17613 -9.457 16.509 40.716 1.00 0.00 WAT +ATOM 59148 H1 TIP3 17613 -9.855 16.025 41.458 1.00 0.00 WAT +ATOM 59149 H2 TIP3 17613 -8.851 17.083 41.212 1.00 0.00 WAT +ATOM 59150 OH2 TIP3 17614 -19.965 18.104 42.987 1.00 0.00 WAT +ATOM 59151 H1 TIP3 17614 -20.115 19.030 42.770 1.00 0.00 WAT +ATOM 59152 H2 TIP3 17614 -19.988 17.659 42.116 1.00 0.00 WAT +ATOM 59153 OH2 TIP3 17615 -23.041 25.448 36.247 1.00 0.00 WAT +ATOM 59154 H1 TIP3 17615 -23.351 25.947 35.476 1.00 0.00 WAT +ATOM 59155 H2 TIP3 17615 -22.940 26.134 36.939 1.00 0.00 WAT +ATOM 59156 OH2 TIP3 17616 -9.451 26.338 42.596 1.00 0.00 WAT +ATOM 59157 H1 TIP3 17616 -10.182 26.227 43.240 1.00 0.00 WAT +ATOM 59158 H2 TIP3 17616 -9.285 27.278 42.747 1.00 0.00 WAT +ATOM 59159 OH2 TIP3 17617 -16.239 13.559 41.780 1.00 0.00 WAT +ATOM 59160 H1 TIP3 17617 -16.276 12.589 41.826 1.00 0.00 WAT +ATOM 59161 H2 TIP3 17617 -17.075 13.803 42.225 1.00 0.00 WAT +ATOM 59162 OH2 TIP3 17618 -11.317 28.832 39.648 1.00 0.00 WAT +ATOM 59163 H1 TIP3 17618 -10.846 28.040 39.322 1.00 0.00 WAT +ATOM 59164 H2 TIP3 17618 -10.671 29.538 39.467 1.00 0.00 WAT +ATOM 59165 OH2 TIP3 17619 -9.884 26.686 38.227 1.00 0.00 WAT +ATOM 59166 H1 TIP3 17619 -10.421 26.225 37.566 1.00 0.00 WAT +ATOM 59167 H2 TIP3 17619 -9.948 26.056 38.975 1.00 0.00 WAT +ATOM 59168 OH2 TIP3 17620 -14.088 22.440 36.430 1.00 0.00 WAT +ATOM 59169 H1 TIP3 17620 -14.766 23.009 36.019 1.00 0.00 WAT +ATOM 59170 H2 TIP3 17620 -13.384 22.457 35.760 1.00 0.00 WAT +ATOM 59171 OH2 TIP3 17621 -13.811 20.617 33.475 1.00 0.00 WAT +ATOM 59172 H1 TIP3 17621 -13.103 20.924 34.070 1.00 0.00 WAT +ATOM 59173 H2 TIP3 17621 -13.315 20.033 32.885 1.00 0.00 WAT +ATOM 59174 OH2 TIP3 17622 -10.606 22.422 37.500 1.00 0.00 WAT +ATOM 59175 H1 TIP3 17622 -11.261 22.634 38.198 1.00 0.00 WAT +ATOM 59176 H2 TIP3 17622 -9.983 21.859 37.997 1.00 0.00 WAT +ATOM 59177 OH2 TIP3 17623 -18.939 23.246 39.230 1.00 0.00 WAT +ATOM 59178 H1 TIP3 17623 -19.343 22.793 38.465 1.00 0.00 WAT +ATOM 59179 H2 TIP3 17623 -18.401 22.544 39.628 1.00 0.00 WAT +ATOM 59180 OH2 TIP3 17624 -17.985 26.428 41.520 1.00 0.00 WAT +ATOM 59181 H1 TIP3 17624 -17.694 25.918 40.756 1.00 0.00 WAT +ATOM 59182 H2 TIP3 17624 -17.211 26.410 42.103 1.00 0.00 WAT +ATOM 59183 OH2 TIP3 17625 -18.802 22.020 42.706 1.00 0.00 WAT +ATOM 59184 H1 TIP3 17625 -18.117 21.933 42.018 1.00 0.00 WAT +ATOM 59185 H2 TIP3 17625 -18.303 22.353 43.461 1.00 0.00 WAT +ATOM 59186 OH2 TIP3 17626 -11.630 21.878 34.936 1.00 0.00 WAT +ATOM 59187 H1 TIP3 17626 -11.163 22.151 35.754 1.00 0.00 WAT +ATOM 59188 H2 TIP3 17626 -11.136 22.399 34.256 1.00 0.00 WAT +ATOM 59189 OH2 TIP3 17627 -14.111 28.507 38.510 1.00 0.00 WAT +ATOM 59190 H1 TIP3 17627 -13.699 28.763 39.347 1.00 0.00 WAT +ATOM 59191 H2 TIP3 17627 -14.735 29.223 38.351 1.00 0.00 WAT +ATOM 59192 OH2 TIP3 17628 -8.228 13.639 34.462 1.00 0.00 WAT +ATOM 59193 H1 TIP3 17628 -9.089 13.765 34.908 1.00 0.00 WAT +ATOM 59194 H2 TIP3 17628 -7.837 14.521 34.535 1.00 0.00 WAT +ATOM 59195 OH2 TIP3 17629 -20.071 21.930 36.818 1.00 0.00 WAT +ATOM 59196 H1 TIP3 17629 -20.309 22.672 36.236 1.00 0.00 WAT +ATOM 59197 H2 TIP3 17629 -20.725 21.262 36.566 1.00 0.00 WAT +ATOM 59198 OH2 TIP3 17630 -6.813 27.748 32.985 1.00 0.00 WAT +ATOM 59199 H1 TIP3 17630 -6.645 28.683 33.218 1.00 0.00 WAT +ATOM 59200 H2 TIP3 17630 -5.945 27.340 33.174 1.00 0.00 WAT +ATOM 59201 OH2 TIP3 17631 -23.882 27.381 42.367 1.00 0.00 WAT +ATOM 59202 H1 TIP3 17631 -22.919 27.303 42.436 1.00 0.00 WAT +ATOM 59203 H2 TIP3 17631 -24.058 28.178 42.881 1.00 0.00 WAT +ATOM 59204 OH2 TIP3 17632 -14.805 31.836 37.112 1.00 0.00 WAT +ATOM 59205 H1 TIP3 17632 -14.807 31.269 36.322 1.00 0.00 WAT +ATOM 59206 H2 TIP3 17632 -14.060 32.413 36.932 1.00 0.00 WAT +ATOM 59207 OH2 TIP3 17633 -20.796 30.315 38.640 1.00 0.00 WAT +ATOM 59208 H1 TIP3 17633 -20.686 29.845 39.493 1.00 0.00 WAT +ATOM 59209 H2 TIP3 17633 -21.624 29.927 38.320 1.00 0.00 WAT +ATOM 59210 OH2 TIP3 17634 -11.367 30.614 34.119 1.00 0.00 WAT +ATOM 59211 H1 TIP3 17634 -10.775 29.975 33.674 1.00 0.00 WAT +ATOM 59212 H2 TIP3 17634 -11.389 30.247 35.025 1.00 0.00 WAT +ATOM 59213 OH2 TIP3 17635 -11.939 30.050 36.969 1.00 0.00 WAT +ATOM 59214 H1 TIP3 17635 -12.879 30.109 37.176 1.00 0.00 WAT +ATOM 59215 H2 TIP3 17635 -11.707 29.316 37.563 1.00 0.00 WAT +ATOM 59216 OH2 TIP3 17636 -18.673 14.452 42.908 1.00 0.00 WAT +ATOM 59217 H1 TIP3 17636 -19.512 14.346 42.423 1.00 0.00 WAT +ATOM 59218 H2 TIP3 17636 -18.634 15.409 43.073 1.00 0.00 WAT +ATOM 59219 OH2 TIP3 17637 -10.094 22.945 32.910 1.00 0.00 WAT +ATOM 59220 H1 TIP3 17637 -10.274 22.745 31.973 1.00 0.00 WAT +ATOM 59221 H2 TIP3 17637 -9.151 23.180 32.870 1.00 0.00 WAT +ATOM 59222 OH2 TIP3 17638 -14.423 16.711 33.459 1.00 0.00 WAT +ATOM 59223 H1 TIP3 17638 -14.930 16.595 34.277 1.00 0.00 WAT +ATOM 59224 H2 TIP3 17638 -14.846 16.042 32.893 1.00 0.00 WAT +ATOM 59225 OH2 TIP3 17639 -18.824 19.503 38.834 1.00 0.00 WAT +ATOM 59226 H1 TIP3 17639 -19.783 19.455 38.661 1.00 0.00 WAT +ATOM 59227 H2 TIP3 17639 -18.480 19.266 37.950 1.00 0.00 WAT +ATOM 59228 OH2 TIP3 17640 -13.209 20.072 37.638 1.00 0.00 WAT +ATOM 59229 H1 TIP3 17640 -13.623 20.883 37.273 1.00 0.00 WAT +ATOM 59230 H2 TIP3 17640 -12.524 19.895 36.973 1.00 0.00 WAT +ATOM 59231 OH2 TIP3 17641 -12.414 19.468 40.423 1.00 0.00 WAT +ATOM 59232 H1 TIP3 17641 -12.694 20.019 39.665 1.00 0.00 WAT +ATOM 59233 H2 TIP3 17641 -12.185 18.647 39.942 1.00 0.00 WAT +ATOM 59234 OH2 TIP3 17642 -18.000 17.148 32.344 1.00 0.00 WAT +ATOM 59235 H1 TIP3 17642 -18.362 16.817 33.191 1.00 0.00 WAT +ATOM 59236 H2 TIP3 17642 -18.805 17.313 31.837 1.00 0.00 WAT +ATOM 59237 OH2 TIP3 17643 -24.547 16.815 39.674 1.00 0.00 WAT +ATOM 59238 H1 TIP3 17643 -23.866 16.840 40.369 1.00 0.00 WAT +ATOM 59239 H2 TIP3 17643 -24.041 16.833 38.850 1.00 0.00 WAT +ATOM 59240 OH2 TIP3 17644 -23.167 17.403 34.767 1.00 0.00 WAT +ATOM 59241 H1 TIP3 17644 -22.488 17.963 34.359 1.00 0.00 WAT +ATOM 59242 H2 TIP3 17644 -23.562 18.049 35.405 1.00 0.00 WAT +ATOM 59243 OH2 TIP3 17645 -16.123 17.147 39.842 1.00 0.00 WAT +ATOM 59244 H1 TIP3 17645 -17.056 17.022 40.083 1.00 0.00 WAT +ATOM 59245 H2 TIP3 17645 -15.670 16.850 40.649 1.00 0.00 WAT +ATOM 59246 OH2 TIP3 17646 -21.625 18.451 38.478 1.00 0.00 WAT +ATOM 59247 H1 TIP3 17646 -22.451 18.680 37.981 1.00 0.00 WAT +ATOM 59248 H2 TIP3 17646 -21.342 17.646 38.013 1.00 0.00 WAT +ATOM 59249 OH2 TIP3 17647 -17.847 18.625 36.199 1.00 0.00 WAT +ATOM 59250 H1 TIP3 17647 -16.883 18.736 36.256 1.00 0.00 WAT +ATOM 59251 H2 TIP3 17647 -18.117 19.242 35.495 1.00 0.00 WAT +ATOM 59252 OH2 TIP3 17648 -11.688 15.801 42.733 1.00 0.00 WAT +ATOM 59253 H1 TIP3 17648 -12.024 16.060 43.607 1.00 0.00 WAT +ATOM 59254 H2 TIP3 17648 -12.490 15.803 42.187 1.00 0.00 WAT +ATOM 59255 OH2 TIP3 17649 -19.380 19.880 33.989 1.00 0.00 WAT +ATOM 59256 H1 TIP3 17649 -20.004 19.633 33.287 1.00 0.00 WAT +ATOM 59257 H2 TIP3 17649 -18.581 20.072 33.470 1.00 0.00 WAT +ATOM 59258 OH2 TIP3 17650 -15.155 19.510 41.912 1.00 0.00 WAT +ATOM 59259 H1 TIP3 17650 -14.445 19.174 41.343 1.00 0.00 WAT +ATOM 59260 H2 TIP3 17650 -15.129 18.868 42.638 1.00 0.00 WAT +ATOM 59261 OH2 TIP3 17651 -19.773 16.124 37.899 1.00 0.00 WAT +ATOM 59262 H1 TIP3 17651 -20.349 15.347 38.012 1.00 0.00 WAT +ATOM 59263 H2 TIP3 17651 -19.008 15.754 37.441 1.00 0.00 WAT +ATOM 59264 OH2 TIP3 17652 -15.942 24.500 35.826 1.00 0.00 WAT +ATOM 59265 H1 TIP3 17652 -16.684 23.969 35.461 1.00 0.00 WAT +ATOM 59266 H2 TIP3 17652 -16.127 24.491 36.790 1.00 0.00 WAT +ATOM 59267 OH2 TIP3 17653 -11.748 17.359 33.548 1.00 0.00 WAT +ATOM 59268 H1 TIP3 17653 -12.730 17.284 33.558 1.00 0.00 WAT +ATOM 59269 H2 TIP3 17653 -11.570 18.036 34.234 1.00 0.00 WAT +ATOM 59270 OH2 TIP3 17654 -11.082 19.124 35.635 1.00 0.00 WAT +ATOM 59271 H1 TIP3 17654 -10.215 18.952 36.052 1.00 0.00 WAT +ATOM 59272 H2 TIP3 17654 -10.953 20.007 35.243 1.00 0.00 WAT +ATOM 59273 OH2 TIP3 17655 -20.904 23.622 41.787 1.00 0.00 WAT +ATOM 59274 H1 TIP3 17655 -20.381 23.706 40.978 1.00 0.00 WAT +ATOM 59275 H2 TIP3 17655 -20.437 22.886 42.225 1.00 0.00 WAT +ATOM 59276 OH2 TIP3 17656 -13.539 25.847 34.724 1.00 0.00 WAT +ATOM 59277 H1 TIP3 17656 -13.746 26.684 35.175 1.00 0.00 WAT +ATOM 59278 H2 TIP3 17656 -14.279 25.282 35.013 1.00 0.00 WAT +ATOM 59279 OH2 TIP3 17657 -6.511 19.119 35.416 1.00 0.00 WAT +ATOM 59280 H1 TIP3 17657 -7.043 18.913 34.627 1.00 0.00 WAT +ATOM 59281 H2 TIP3 17657 -6.367 20.075 35.266 1.00 0.00 WAT +ATOM 59282 OH2 TIP3 17658 -8.324 27.725 35.461 1.00 0.00 WAT +ATOM 59283 H1 TIP3 17658 -8.507 26.956 36.021 1.00 0.00 WAT +ATOM 59284 H2 TIP3 17658 -7.738 27.364 34.780 1.00 0.00 WAT +ATOM 59285 OH2 TIP3 17659 -11.138 23.200 42.510 1.00 0.00 WAT +ATOM 59286 H1 TIP3 17659 -12.061 22.921 42.660 1.00 0.00 WAT +ATOM 59287 H2 TIP3 17659 -10.786 22.440 42.004 1.00 0.00 WAT +ATOM 59288 OH2 TIP3 17660 -18.387 27.153 38.603 1.00 0.00 WAT +ATOM 59289 H1 TIP3 17660 -17.993 28.014 38.789 1.00 0.00 WAT +ATOM 59290 H2 TIP3 17660 -19.332 27.346 38.657 1.00 0.00 WAT +ATOM 59291 OH2 TIP3 17661 -22.438 22.000 33.492 1.00 0.00 WAT +ATOM 59292 H1 TIP3 17661 -21.849 22.646 33.921 1.00 0.00 WAT +ATOM 59293 H2 TIP3 17661 -23.295 22.231 33.878 1.00 0.00 WAT +ATOM 59294 OH2 TIP3 17662 -16.580 24.860 38.623 1.00 0.00 WAT +ATOM 59295 H1 TIP3 17662 -16.958 25.756 38.609 1.00 0.00 WAT +ATOM 59296 H2 TIP3 17662 -17.341 24.335 38.924 1.00 0.00 WAT +ATOM 59297 OH2 TIP3 17663 -17.929 30.227 38.083 1.00 0.00 WAT +ATOM 59298 H1 TIP3 17663 -18.895 30.193 38.197 1.00 0.00 WAT +ATOM 59299 H2 TIP3 17663 -17.686 30.949 38.671 1.00 0.00 WAT +ATOM 59300 OH2 TIP3 17664 -10.833 26.160 33.364 1.00 0.00 WAT +ATOM 59301 H1 TIP3 17664 -10.409 25.703 34.113 1.00 0.00 WAT +ATOM 59302 H2 TIP3 17664 -11.763 26.008 33.601 1.00 0.00 WAT +ATOM 59303 OH2 TIP3 17665 -6.099 30.417 33.900 1.00 0.00 WAT +ATOM 59304 H1 TIP3 17665 -5.392 31.053 33.698 1.00 0.00 WAT +ATOM 59305 H2 TIP3 17665 -6.861 31.024 33.897 1.00 0.00 WAT +ATOM 59306 OH2 TIP3 17666 -9.869 24.757 35.736 1.00 0.00 WAT +ATOM 59307 H1 TIP3 17666 -10.137 24.043 36.339 1.00 0.00 WAT +ATOM 59308 H2 TIP3 17666 -8.901 24.744 35.833 1.00 0.00 WAT +ATOM 59309 OH2 TIP3 17667 -16.582 27.208 31.948 1.00 0.00 WAT +ATOM 59310 H1 TIP3 17667 -16.310 26.421 31.439 1.00 0.00 WAT +ATOM 59311 H2 TIP3 17667 -17.028 26.795 32.709 1.00 0.00 WAT +ATOM 59312 OH2 TIP3 17668 -17.724 26.734 34.628 1.00 0.00 WAT +ATOM 59313 H1 TIP3 17668 -17.277 26.180 35.285 1.00 0.00 WAT +ATOM 59314 H2 TIP3 17668 -17.620 27.632 35.004 1.00 0.00 WAT +ATOM 59315 OH2 TIP3 17669 -20.906 24.161 35.031 1.00 0.00 WAT +ATOM 59316 H1 TIP3 17669 -21.634 24.531 35.574 1.00 0.00 WAT +ATOM 59317 H2 TIP3 17669 -20.446 24.977 34.775 1.00 0.00 WAT +ATOM 59318 OH2 TIP3 17670 -12.586 16.065 36.326 1.00 0.00 WAT +ATOM 59319 H1 TIP3 17670 -12.427 16.627 35.555 1.00 0.00 WAT +ATOM 59320 H2 TIP3 17670 -12.154 16.566 37.038 1.00 0.00 WAT +ATOM 59321 OH2 TIP3 17671 -14.767 28.584 35.375 1.00 0.00 WAT +ATOM 59322 H1 TIP3 17671 -15.699 28.862 35.360 1.00 0.00 WAT +ATOM 59323 H2 TIP3 17671 -14.467 28.819 34.484 1.00 0.00 WAT +ATOM 59324 OH2 TIP3 17672 -15.185 18.068 37.267 1.00 0.00 WAT +ATOM 59325 H1 TIP3 17672 -14.428 18.662 37.442 1.00 0.00 WAT +ATOM 59326 H2 TIP3 17672 -15.503 17.879 38.171 1.00 0.00 WAT +ATOM 59327 OH2 TIP3 17673 -14.639 15.071 38.184 1.00 0.00 WAT +ATOM 59328 H1 TIP3 17673 -14.766 15.709 38.908 1.00 0.00 WAT +ATOM 59329 H2 TIP3 17673 -13.882 15.471 37.712 1.00 0.00 WAT +ATOM 59330 OH2 TIP3 17674 -17.559 29.429 35.296 1.00 0.00 WAT +ATOM 59331 H1 TIP3 17674 -17.673 30.224 34.734 1.00 0.00 WAT +ATOM 59332 H2 TIP3 17674 -17.739 29.790 36.186 1.00 0.00 WAT +ATOM 59333 OH2 TIP3 17675 -18.869 16.095 34.760 1.00 0.00 WAT +ATOM 59334 H1 TIP3 17675 -18.856 16.868 35.349 1.00 0.00 WAT +ATOM 59335 H2 TIP3 17675 -18.056 15.629 35.040 1.00 0.00 WAT +ATOM 59336 OH2 TIP3 17676 -10.103 20.883 41.357 1.00 0.00 WAT +ATOM 59337 H1 TIP3 17676 -10.888 20.384 41.069 1.00 0.00 WAT +ATOM 59338 H2 TIP3 17676 -9.537 20.161 41.723 1.00 0.00 WAT +ATOM 59339 OH2 TIP3 17677 -20.468 26.977 33.799 1.00 0.00 WAT +ATOM 59340 H1 TIP3 17677 -19.720 27.446 34.206 1.00 0.00 WAT +ATOM 59341 H2 TIP3 17677 -19.987 26.459 33.134 1.00 0.00 WAT +ATOM 59342 OH2 TIP3 17678 -22.235 19.264 32.741 1.00 0.00 WAT +ATOM 59343 H1 TIP3 17678 -22.229 20.152 33.144 1.00 0.00 WAT +ATOM 59344 H2 TIP3 17678 -23.178 19.076 32.678 1.00 0.00 WAT +ATOM 59345 OH2 TIP3 17679 -8.751 30.541 43.296 1.00 0.00 WAT +ATOM 59346 H1 TIP3 17679 -9.315 30.958 42.623 1.00 0.00 WAT +ATOM 59347 H2 TIP3 17679 -7.888 30.535 42.855 1.00 0.00 WAT +ATOM 59348 OH2 TIP3 17680 -21.444 14.153 41.722 1.00 0.00 WAT +ATOM 59349 H1 TIP3 17680 -21.593 14.187 40.753 1.00 0.00 WAT +ATOM 59350 H2 TIP3 17680 -21.789 13.280 41.955 1.00 0.00 WAT +ATOM 59351 OH2 TIP3 17681 -22.513 27.679 37.993 1.00 0.00 WAT +ATOM 59352 H1 TIP3 17681 -23.290 28.190 38.256 1.00 0.00 WAT +ATOM 59353 H2 TIP3 17681 -22.162 28.208 37.261 1.00 0.00 WAT +ATOM 59354 OH2 TIP3 17682 -14.376 28.877 32.498 1.00 0.00 WAT +ATOM 59355 H1 TIP3 17682 -15.135 28.275 32.332 1.00 0.00 WAT +ATOM 59356 H2 TIP3 17682 -13.661 28.362 32.088 1.00 0.00 WAT +ATOM 59357 OH2 TIP3 17683 -9.740 28.811 32.534 1.00 0.00 WAT +ATOM 59358 H1 TIP3 17683 -9.586 28.013 33.069 1.00 0.00 WAT +ATOM 59359 H2 TIP3 17683 -8.937 28.842 31.985 1.00 0.00 WAT +ATOM 59360 OH2 TIP3 17684 -18.941 24.659 32.273 1.00 0.00 WAT +ATOM 59361 H1 TIP3 17684 -18.804 24.049 33.016 1.00 0.00 WAT +ATOM 59362 H2 TIP3 17684 -18.083 24.586 31.813 1.00 0.00 WAT +ATOM 59363 OH2 TIP3 17685 -13.707 25.967 31.885 1.00 0.00 WAT +ATOM 59364 H1 TIP3 17685 -13.749 25.912 32.856 1.00 0.00 WAT +ATOM 59365 H2 TIP3 17685 -13.756 25.013 31.662 1.00 0.00 WAT +ATOM 59366 OH2 TIP3 17686 -17.834 22.712 34.636 1.00 0.00 WAT +ATOM 59367 H1 TIP3 17686 -18.485 22.223 35.161 1.00 0.00 WAT +ATOM 59368 H2 TIP3 17686 -17.563 22.030 33.987 1.00 0.00 WAT +ATOM 59369 OH2 TIP3 17687 -16.903 20.735 32.867 1.00 0.00 WAT +ATOM 59370 H1 TIP3 17687 -16.957 20.812 31.897 1.00 0.00 WAT +ATOM 59371 H2 TIP3 17687 -15.940 20.704 33.010 1.00 0.00 WAT +ATOM 59372 OH2 TIP3 17688 -7.397 23.181 32.123 1.00 0.00 WAT +ATOM 59373 H1 TIP3 17688 -7.634 22.882 31.227 1.00 0.00 WAT +ATOM 59374 H2 TIP3 17688 -7.421 24.149 31.983 1.00 0.00 WAT +ATOM 59375 OH2 TIP3 17689 -17.123 32.005 33.995 1.00 0.00 WAT +ATOM 59376 H1 TIP3 17689 -16.157 32.062 34.031 1.00 0.00 WAT +ATOM 59377 H2 TIP3 17689 -17.306 32.412 33.139 1.00 0.00 WAT +ATOM 59378 OH2 TIP3 17690 -23.239 26.390 33.456 1.00 0.00 WAT +ATOM 59379 H1 TIP3 17690 -22.290 26.550 33.645 1.00 0.00 WAT +ATOM 59380 H2 TIP3 17690 -23.205 25.574 32.917 1.00 0.00 WAT +ATOM 59381 OH2 TIP3 17691 -24.181 31.526 38.204 1.00 0.00 WAT +ATOM 59382 H1 TIP3 17691 -24.943 31.178 37.701 1.00 0.00 WAT +ATOM 59383 H2 TIP3 17691 -24.126 30.879 38.938 1.00 0.00 WAT +ATOM 59384 OH2 TIP3 17692 -23.832 29.559 40.191 1.00 0.00 WAT +ATOM 59385 H1 TIP3 17692 -24.095 28.670 40.475 1.00 0.00 WAT +ATOM 59386 H2 TIP3 17692 -23.573 29.921 41.058 1.00 0.00 WAT +ATOM 59387 OH2 TIP3 17693 -6.172 30.828 42.714 1.00 0.00 WAT +ATOM 59388 H1 TIP3 17693 -6.325 30.839 43.679 1.00 0.00 WAT +ATOM 59389 H2 TIP3 17693 -5.241 31.079 42.687 1.00 0.00 WAT +ATOM 59390 OH2 TIP3 17694 -7.009 24.628 36.137 1.00 0.00 WAT +ATOM 59391 H1 TIP3 17694 -6.097 24.947 36.287 1.00 0.00 WAT +ATOM 59392 H2 TIP3 17694 -7.083 23.985 36.866 1.00 0.00 WAT +ATOM 59393 OH2 TIP3 17695 -6.523 22.585 38.142 1.00 0.00 WAT +ATOM 59394 H1 TIP3 17695 -7.203 22.013 38.544 1.00 0.00 WAT +ATOM 59395 H2 TIP3 17695 -5.850 22.660 38.846 1.00 0.00 WAT +ATOM 59396 OH2 TIP3 17696 -6.373 24.998 43.415 1.00 0.00 WAT +ATOM 59397 H1 TIP3 17696 -6.314 24.325 42.714 1.00 0.00 WAT +ATOM 59398 H2 TIP3 17696 -6.927 25.683 43.005 1.00 0.00 WAT +ATOM 59399 OH2 TIP3 17697 -6.324 22.005 34.696 1.00 0.00 WAT +ATOM 59400 H1 TIP3 17697 -6.793 22.313 33.899 1.00 0.00 WAT +ATOM 59401 H2 TIP3 17697 -6.412 22.773 35.281 1.00 0.00 WAT +ATOM 59402 OH2 TIP3 17698 -8.139 19.564 32.893 1.00 0.00 WAT +ATOM 59403 H1 TIP3 17698 -7.694 20.142 32.253 1.00 0.00 WAT +ATOM 59404 H2 TIP3 17698 -8.195 18.727 32.409 1.00 0.00 WAT +ATOM 59405 OH2 TIP3 17699 -8.668 20.700 38.900 1.00 0.00 WAT +ATOM 59406 H1 TIP3 17699 -8.680 19.738 38.774 1.00 0.00 WAT +ATOM 59407 H2 TIP3 17699 -8.995 20.796 39.814 1.00 0.00 WAT +ATOM 59408 OH2 TIP3 17700 -23.766 22.562 42.630 1.00 0.00 WAT +ATOM 59409 H1 TIP3 17700 -23.455 22.833 41.748 1.00 0.00 WAT +ATOM 59410 H2 TIP3 17700 -22.942 22.585 43.144 1.00 0.00 WAT +ATOM 59411 OH2 TIP3 17701 -8.355 16.774 31.816 1.00 0.00 WAT +ATOM 59412 H1 TIP3 17701 -7.843 16.442 32.585 1.00 0.00 WAT +ATOM 59413 H2 TIP3 17701 -9.233 16.387 31.962 1.00 0.00 WAT +ATOM 59414 OH2 TIP3 17702 -8.738 18.156 37.105 1.00 0.00 WAT +ATOM 59415 H1 TIP3 17702 -8.476 17.219 37.237 1.00 0.00 WAT +ATOM 59416 H2 TIP3 17702 -7.929 18.510 36.692 1.00 0.00 WAT +ATOM 59417 OH2 TIP3 17703 -8.532 18.910 42.206 1.00 0.00 WAT +ATOM 59418 H1 TIP3 17703 -7.591 18.713 42.340 1.00 0.00 WAT +ATOM 59419 H2 TIP3 17703 -8.925 18.563 43.028 1.00 0.00 WAT +ATOM 59420 OH2 TIP3 17704 -8.233 15.376 37.318 1.00 0.00 WAT +ATOM 59421 H1 TIP3 17704 -8.063 14.955 38.174 1.00 0.00 WAT +ATOM 59422 H2 TIP3 17704 -9.028 14.893 37.017 1.00 0.00 WAT +ATOM 59423 OH2 TIP3 17705 -22.981 16.684 42.037 1.00 0.00 WAT +ATOM 59424 H1 TIP3 17705 -22.648 15.775 42.133 1.00 0.00 WAT +ATOM 59425 H2 TIP3 17705 -22.402 17.159 42.639 1.00 0.00 WAT +ATOM 59426 OH2 TIP3 17706 -24.616 19.593 43.036 1.00 0.00 WAT +ATOM 59427 H1 TIP3 17706 -24.225 19.225 42.227 1.00 0.00 WAT +ATOM 59428 H2 TIP3 17706 -24.343 20.530 42.964 1.00 0.00 WAT +ATOM 59429 OH2 TIP3 17707 -6.332 16.019 33.657 1.00 0.00 WAT +ATOM 59430 H1 TIP3 17707 -6.019 15.161 33.335 1.00 0.00 WAT +ATOM 59431 H2 TIP3 17707 -5.496 16.433 33.942 1.00 0.00 WAT +ATOM 59432 OH2 TIP3 17708 -24.008 15.535 36.795 1.00 0.00 WAT +ATOM 59433 H1 TIP3 17708 -24.966 15.704 36.805 1.00 0.00 WAT +ATOM 59434 H2 TIP3 17708 -23.681 16.293 36.283 1.00 0.00 WAT +ATOM 59435 OH2 TIP3 17709 -9.429 30.942 39.081 1.00 0.00 WAT +ATOM 59436 H1 TIP3 17709 -9.039 30.678 38.229 1.00 0.00 WAT +ATOM 59437 H2 TIP3 17709 -8.657 31.305 39.530 1.00 0.00 WAT +ATOM 59438 OH2 TIP3 17710 -22.397 29.918 42.616 1.00 0.00 WAT +ATOM 59439 H1 TIP3 17710 -22.042 29.961 43.532 1.00 0.00 WAT +ATOM 59440 H2 TIP3 17710 -21.560 29.738 42.141 1.00 0.00 WAT +ATOM 59441 OH2 TIP3 17711 -20.160 29.043 41.134 1.00 0.00 WAT +ATOM 59442 H1 TIP3 17711 -20.299 28.117 41.422 1.00 0.00 WAT +ATOM 59443 H2 TIP3 17711 -19.269 29.222 41.502 1.00 0.00 WAT +ATOM 59444 OH2 TIP3 17712 -17.501 29.565 42.096 1.00 0.00 WAT +ATOM 59445 H1 TIP3 17712 -17.144 28.689 41.900 1.00 0.00 WAT +ATOM 59446 H2 TIP3 17712 -17.357 29.613 43.051 1.00 0.00 WAT +ATOM 59447 OH2 TIP3 17713 -14.147 15.534 41.273 1.00 0.00 WAT +ATOM 59448 H1 TIP3 17713 -14.754 14.815 41.543 1.00 0.00 WAT +ATOM 59449 H2 TIP3 17713 -13.476 15.037 40.765 1.00 0.00 WAT +ATOM 59450 OH2 TIP3 17714 -8.863 13.456 40.896 1.00 0.00 WAT +ATOM 59451 H1 TIP3 17714 -8.154 14.096 41.087 1.00 0.00 WAT +ATOM 59452 H2 TIP3 17714 -9.666 13.977 41.046 1.00 0.00 WAT +ATOM 59453 OH2 TIP3 17715 -21.752 14.162 38.884 1.00 0.00 WAT +ATOM 59454 H1 TIP3 17715 -22.611 14.045 38.429 1.00 0.00 WAT +ATOM 59455 H2 TIP3 17715 -21.335 13.298 38.721 1.00 0.00 WAT +ATOM 59456 OH2 TIP3 17716 -22.958 13.657 34.762 1.00 0.00 WAT +ATOM 59457 H1 TIP3 17716 -22.466 14.325 34.250 1.00 0.00 WAT +ATOM 59458 H2 TIP3 17716 -23.364 14.205 35.462 1.00 0.00 WAT +ATOM 59459 OH2 TIP3 17717 -17.255 13.922 38.909 1.00 0.00 WAT +ATOM 59460 H1 TIP3 17717 -16.364 14.264 38.731 1.00 0.00 WAT +ATOM 59461 H2 TIP3 17717 -17.229 13.815 39.870 1.00 0.00 WAT +ATOM 59462 OH2 TIP3 17718 -11.812 14.086 40.060 1.00 0.00 WAT +ATOM 59463 H1 TIP3 17718 -11.440 13.820 39.211 1.00 0.00 WAT +ATOM 59464 H2 TIP3 17718 -12.045 13.231 40.458 1.00 0.00 WAT +ATOM 59465 OH2 TIP3 17719 -10.549 14.048 36.167 1.00 0.00 WAT +ATOM 59466 H1 TIP3 17719 -11.377 14.551 36.041 1.00 0.00 WAT +ATOM 59467 H2 TIP3 17719 -10.896 13.155 36.342 1.00 0.00 WAT +ATOM 59468 OH2 TIP3 17720 -22.742 29.608 35.922 1.00 0.00 WAT +ATOM 59469 H1 TIP3 17720 -23.394 29.474 35.218 1.00 0.00 WAT +ATOM 59470 H2 TIP3 17720 -22.802 30.567 36.034 1.00 0.00 WAT +ATOM 59471 OH2 TIP3 17721 -21.195 15.423 33.162 1.00 0.00 WAT +ATOM 59472 H1 TIP3 17721 -20.545 14.891 32.674 1.00 0.00 WAT +ATOM 59473 H2 TIP3 17721 -20.650 15.772 33.892 1.00 0.00 WAT +ATOM 59474 OH2 TIP3 17722 -16.140 15.641 35.821 1.00 0.00 WAT +ATOM 59475 H1 TIP3 17722 -15.779 15.086 36.531 1.00 0.00 WAT +ATOM 59476 H2 TIP3 17722 -15.964 16.519 36.194 1.00 0.00 WAT +ATOM 59477 OH2 TIP3 17723 -14.100 31.482 34.042 1.00 0.00 WAT +ATOM 59478 H1 TIP3 17723 -13.126 31.446 34.024 1.00 0.00 WAT +ATOM 59479 H2 TIP3 17723 -14.307 30.756 33.432 1.00 0.00 WAT +ATOM 59480 OH2 TIP3 17724 -7.618 30.461 36.646 1.00 0.00 WAT +ATOM 59481 H1 TIP3 17724 -7.826 29.624 36.185 1.00 0.00 WAT +ATOM 59482 H2 TIP3 17724 -7.607 31.086 35.904 1.00 0.00 WAT +ATOM 59483 OH2 TIP3 17725 -21.317 30.577 32.724 1.00 0.00 WAT +ATOM 59484 H1 TIP3 17725 -21.580 30.822 33.623 1.00 0.00 WAT +ATOM 59485 H2 TIP3 17725 -20.579 29.967 32.880 1.00 0.00 WAT +ATOM 59486 OH2 TIP3 17726 6.024 22.882 39.245 1.00 0.00 WAT +ATOM 59487 H1 TIP3 17726 6.097 23.851 39.276 1.00 0.00 WAT +ATOM 59488 H2 TIP3 17726 5.356 22.767 38.553 1.00 0.00 WAT +ATOM 59489 OH2 TIP3 17727 5.022 22.274 42.470 1.00 0.00 WAT +ATOM 59490 H1 TIP3 17727 4.943 21.509 43.063 1.00 0.00 WAT +ATOM 59491 H2 TIP3 17727 4.898 21.872 41.599 1.00 0.00 WAT +ATOM 59492 OH2 TIP3 17728 8.566 25.026 40.396 1.00 0.00 WAT +ATOM 59493 H1 TIP3 17728 8.173 24.359 40.979 1.00 0.00 WAT +ATOM 59494 H2 TIP3 17728 8.922 25.624 41.091 1.00 0.00 WAT +ATOM 59495 OH2 TIP3 17729 -1.920 26.427 42.458 1.00 0.00 WAT +ATOM 59496 H1 TIP3 17729 -2.066 25.517 42.137 1.00 0.00 WAT +ATOM 59497 H2 TIP3 17729 -0.947 26.373 42.566 1.00 0.00 WAT +ATOM 59498 OH2 TIP3 17730 -4.955 20.026 37.825 1.00 0.00 WAT +ATOM 59499 H1 TIP3 17730 -5.404 20.884 37.826 1.00 0.00 WAT +ATOM 59500 H2 TIP3 17730 -5.608 19.451 37.412 1.00 0.00 WAT +ATOM 59501 OH2 TIP3 17731 -4.141 22.360 39.814 1.00 0.00 WAT +ATOM 59502 H1 TIP3 17731 -3.941 21.499 40.230 1.00 0.00 WAT +ATOM 59503 H2 TIP3 17731 -3.365 22.473 39.248 1.00 0.00 WAT +ATOM 59504 OH2 TIP3 17732 5.605 30.428 41.116 1.00 0.00 WAT +ATOM 59505 H1 TIP3 17732 6.253 29.760 40.832 1.00 0.00 WAT +ATOM 59506 H2 TIP3 17732 5.361 30.132 42.008 1.00 0.00 WAT +ATOM 59507 OH2 TIP3 17733 3.045 24.562 42.794 1.00 0.00 WAT +ATOM 59508 H1 TIP3 17733 3.466 23.899 42.225 1.00 0.00 WAT +ATOM 59509 H2 TIP3 17733 3.858 24.924 43.204 1.00 0.00 WAT +ATOM 59510 OH2 TIP3 17734 6.543 19.303 43.234 1.00 0.00 WAT +ATOM 59511 H1 TIP3 17734 6.953 18.438 43.393 1.00 0.00 WAT +ATOM 59512 H2 TIP3 17734 6.591 19.383 42.263 1.00 0.00 WAT +ATOM 59513 OH2 TIP3 17735 -0.225 17.141 40.365 1.00 0.00 WAT +ATOM 59514 H1 TIP3 17735 -0.169 18.020 39.955 1.00 0.00 WAT +ATOM 59515 H2 TIP3 17735 -0.608 16.626 39.626 1.00 0.00 WAT +ATOM 59516 OH2 TIP3 17736 7.564 17.417 38.723 1.00 0.00 WAT +ATOM 59517 H1 TIP3 17736 8.129 16.949 39.378 1.00 0.00 WAT +ATOM 59518 H2 TIP3 17736 8.238 17.809 38.149 1.00 0.00 WAT +ATOM 59519 OH2 TIP3 17737 -3.440 19.834 40.991 1.00 0.00 WAT +ATOM 59520 H1 TIP3 17737 -2.976 19.186 41.525 1.00 0.00 WAT +ATOM 59521 H2 TIP3 17737 -3.412 19.396 40.119 1.00 0.00 WAT +ATOM 59522 OH2 TIP3 17738 1.674 21.252 40.574 1.00 0.00 WAT +ATOM 59523 H1 TIP3 17738 2.434 20.701 40.830 1.00 0.00 WAT +ATOM 59524 H2 TIP3 17738 1.238 20.676 39.915 1.00 0.00 WAT +ATOM 59525 OH2 TIP3 17739 5.990 25.732 37.939 1.00 0.00 WAT +ATOM 59526 H1 TIP3 17739 5.721 25.527 37.040 1.00 0.00 WAT +ATOM 59527 H2 TIP3 17739 5.549 26.584 38.105 1.00 0.00 WAT +ATOM 59528 OH2 TIP3 17740 9.365 16.588 40.720 1.00 0.00 WAT +ATOM 59529 H1 TIP3 17740 9.030 15.955 41.375 1.00 0.00 WAT +ATOM 59530 H2 TIP3 17740 9.876 17.182 41.296 1.00 0.00 WAT +ATOM 59531 OH2 TIP3 17741 -1.128 17.959 42.991 1.00 0.00 WAT +ATOM 59532 H1 TIP3 17741 -1.680 18.746 42.971 1.00 0.00 WAT +ATOM 59533 H2 TIP3 17741 -1.442 17.437 42.233 1.00 0.00 WAT +ATOM 59534 OH2 TIP3 17742 -4.277 25.459 36.278 1.00 0.00 WAT +ATOM 59535 H1 TIP3 17742 -4.424 25.946 35.449 1.00 0.00 WAT +ATOM 59536 H2 TIP3 17742 -4.080 26.164 36.927 1.00 0.00 WAT +ATOM 59537 OH2 TIP3 17743 9.319 26.339 42.591 1.00 0.00 WAT +ATOM 59538 H1 TIP3 17743 8.669 26.248 43.316 1.00 0.00 WAT +ATOM 59539 H2 TIP3 17743 9.948 26.954 42.976 1.00 0.00 WAT +ATOM 59540 OH2 TIP3 17744 2.611 13.582 41.839 1.00 0.00 WAT +ATOM 59541 H1 TIP3 17744 2.552 12.615 41.831 1.00 0.00 WAT +ATOM 59542 H2 TIP3 17744 1.737 13.828 42.207 1.00 0.00 WAT +ATOM 59543 OH2 TIP3 17745 7.522 28.844 39.649 1.00 0.00 WAT +ATOM 59544 H1 TIP3 17745 7.984 28.038 39.342 1.00 0.00 WAT +ATOM 59545 H2 TIP3 17745 8.186 29.530 39.449 1.00 0.00 WAT +ATOM 59546 OH2 TIP3 17746 8.955 26.701 38.227 1.00 0.00 WAT +ATOM 59547 H1 TIP3 17746 8.460 26.222 37.548 1.00 0.00 WAT +ATOM 59548 H2 TIP3 17746 8.895 26.065 38.971 1.00 0.00 WAT +ATOM 59549 OH2 TIP3 17747 4.764 22.453 36.432 1.00 0.00 WAT +ATOM 59550 H1 TIP3 17747 4.097 23.005 35.987 1.00 0.00 WAT +ATOM 59551 H2 TIP3 17747 5.481 22.444 35.774 1.00 0.00 WAT +ATOM 59552 OH2 TIP3 17748 5.035 20.598 33.481 1.00 0.00 WAT +ATOM 59553 H1 TIP3 17748 5.754 20.918 34.055 1.00 0.00 WAT +ATOM 59554 H2 TIP3 17748 5.529 20.028 32.874 1.00 0.00 WAT +ATOM 59555 OH2 TIP3 17749 8.256 22.431 37.502 1.00 0.00 WAT +ATOM 59556 H1 TIP3 17749 7.597 22.643 38.194 1.00 0.00 WAT +ATOM 59557 H2 TIP3 17749 8.868 21.856 37.996 1.00 0.00 WAT +ATOM 59558 OH2 TIP3 17750 -0.151 23.227 39.262 1.00 0.00 WAT +ATOM 59559 H1 TIP3 17750 -0.495 22.775 38.464 1.00 0.00 WAT +ATOM 59560 H2 TIP3 17750 0.446 22.556 39.632 1.00 0.00 WAT +ATOM 59561 OH2 TIP3 17751 0.837 26.339 41.583 1.00 0.00 WAT +ATOM 59562 H1 TIP3 17751 1.096 25.991 40.718 1.00 0.00 WAT +ATOM 59563 H2 TIP3 17751 1.671 26.313 42.074 1.00 0.00 WAT +ATOM 59564 OH2 TIP3 17752 0.069 22.130 42.715 1.00 0.00 WAT +ATOM 59565 H1 TIP3 17752 0.701 21.893 42.007 1.00 0.00 WAT +ATOM 59566 H2 TIP3 17752 0.659 22.275 43.463 1.00 0.00 WAT +ATOM 59567 OH2 TIP3 17753 7.206 21.890 34.942 1.00 0.00 WAT +ATOM 59568 H1 TIP3 17753 7.697 22.140 35.752 1.00 0.00 WAT +ATOM 59569 H2 TIP3 17753 7.711 22.391 34.254 1.00 0.00 WAT +ATOM 59570 OH2 TIP3 17754 4.672 28.474 38.530 1.00 0.00 WAT +ATOM 59571 H1 TIP3 17754 5.154 28.803 39.298 1.00 0.00 WAT +ATOM 59572 H2 TIP3 17754 4.184 29.257 38.231 1.00 0.00 WAT +ATOM 59573 OH2 TIP3 17755 10.674 13.609 34.444 1.00 0.00 WAT +ATOM 59574 H1 TIP3 17755 9.788 13.695 34.840 1.00 0.00 WAT +ATOM 59575 H2 TIP3 17755 11.009 14.517 34.500 1.00 0.00 WAT +ATOM 59576 OH2 TIP3 17756 -1.258 21.987 36.858 1.00 0.00 WAT +ATOM 59577 H1 TIP3 17756 -1.423 22.680 36.197 1.00 0.00 WAT +ATOM 59578 H2 TIP3 17756 -1.810 21.262 36.533 1.00 0.00 WAT +ATOM 59579 OH2 TIP3 17757 12.041 27.745 32.983 1.00 0.00 WAT +ATOM 59580 H1 TIP3 17757 12.205 28.678 33.223 1.00 0.00 WAT +ATOM 59581 H2 TIP3 17757 12.908 27.336 33.173 1.00 0.00 WAT +ATOM 59582 OH2 TIP3 17758 -4.800 27.344 42.849 1.00 0.00 WAT +ATOM 59583 H1 TIP3 17758 -3.929 27.355 42.416 1.00 0.00 WAT +ATOM 59584 H2 TIP3 17758 -5.039 28.281 42.775 1.00 0.00 WAT +ATOM 59585 OH2 TIP3 17759 4.221 31.181 36.992 1.00 0.00 WAT +ATOM 59586 H1 TIP3 17759 4.234 31.300 36.027 1.00 0.00 WAT +ATOM 59587 H2 TIP3 17759 4.245 32.094 37.322 1.00 0.00 WAT +ATOM 59588 OH2 TIP3 17760 -1.979 30.332 38.617 1.00 0.00 WAT +ATOM 59589 H1 TIP3 17760 -1.812 29.871 39.463 1.00 0.00 WAT +ATOM 59590 H2 TIP3 17760 -2.809 29.925 38.333 1.00 0.00 WAT +ATOM 59591 OH2 TIP3 17761 7.520 30.604 34.173 1.00 0.00 WAT +ATOM 59592 H1 TIP3 17761 8.101 29.952 33.733 1.00 0.00 WAT +ATOM 59593 H2 TIP3 17761 7.465 30.231 35.076 1.00 0.00 WAT +ATOM 59594 OH2 TIP3 17762 6.918 30.041 36.985 1.00 0.00 WAT +ATOM 59595 H1 TIP3 17762 5.965 30.185 37.128 1.00 0.00 WAT +ATOM 59596 H2 TIP3 17762 7.073 29.307 37.604 1.00 0.00 WAT +ATOM 59597 OH2 TIP3 17763 0.127 14.455 42.830 1.00 0.00 WAT +ATOM 59598 H1 TIP3 17763 -0.724 14.323 42.351 1.00 0.00 WAT +ATOM 59599 H2 TIP3 17763 0.114 15.406 43.006 1.00 0.00 WAT +ATOM 59600 OH2 TIP3 17764 8.780 22.966 32.961 1.00 0.00 WAT +ATOM 59601 H1 TIP3 17764 8.562 22.774 32.028 1.00 0.00 WAT +ATOM 59602 H2 TIP3 17764 9.726 23.184 32.885 1.00 0.00 WAT +ATOM 59603 OH2 TIP3 17765 4.311 16.548 33.246 1.00 0.00 WAT +ATOM 59604 H1 TIP3 17765 3.796 16.391 34.049 1.00 0.00 WAT +ATOM 59605 H2 TIP3 17765 3.920 15.878 32.644 1.00 0.00 WAT +ATOM 59606 OH2 TIP3 17766 0.062 19.557 38.820 1.00 0.00 WAT +ATOM 59607 H1 TIP3 17766 -0.889 19.405 38.657 1.00 0.00 WAT +ATOM 59608 H2 TIP3 17766 0.423 19.292 37.948 1.00 0.00 WAT +ATOM 59609 OH2 TIP3 17767 5.668 20.080 37.644 1.00 0.00 WAT +ATOM 59610 H1 TIP3 17767 5.244 20.877 37.262 1.00 0.00 WAT +ATOM 59611 H2 TIP3 17767 6.339 19.880 36.968 1.00 0.00 WAT +ATOM 59612 OH2 TIP3 17768 6.443 19.473 40.422 1.00 0.00 WAT +ATOM 59613 H1 TIP3 17768 6.166 20.021 39.661 1.00 0.00 WAT +ATOM 59614 H2 TIP3 17768 6.671 18.651 39.939 1.00 0.00 WAT +ATOM 59615 OH2 TIP3 17769 0.644 17.447 32.581 1.00 0.00 WAT +ATOM 59616 H1 TIP3 17769 0.561 16.660 33.142 1.00 0.00 WAT +ATOM 59617 H2 TIP3 17769 0.403 17.107 31.714 1.00 0.00 WAT +ATOM 59618 OH2 TIP3 17770 -5.345 17.165 39.479 1.00 0.00 WAT +ATOM 59619 H1 TIP3 17770 -5.387 16.731 40.348 1.00 0.00 WAT +ATOM 59620 H2 TIP3 17770 -5.269 16.404 38.897 1.00 0.00 WAT +ATOM 59621 OH2 TIP3 17771 -4.152 17.480 35.108 1.00 0.00 WAT +ATOM 59622 H1 TIP3 17771 -3.559 17.963 34.494 1.00 0.00 WAT +ATOM 59623 H2 TIP3 17771 -4.799 18.172 35.317 1.00 0.00 WAT +ATOM 59624 OH2 TIP3 17772 2.750 17.136 39.849 1.00 0.00 WAT +ATOM 59625 H1 TIP3 17772 1.802 17.037 40.056 1.00 0.00 WAT +ATOM 59626 H2 TIP3 17772 3.163 16.842 40.675 1.00 0.00 WAT +ATOM 59627 OH2 TIP3 17773 -2.546 18.386 38.482 1.00 0.00 WAT +ATOM 59628 H1 TIP3 17773 -3.460 18.508 38.171 1.00 0.00 WAT +ATOM 59629 H2 TIP3 17773 -2.299 17.530 38.082 1.00 0.00 WAT +ATOM 59630 OH2 TIP3 17774 1.006 18.697 36.253 1.00 0.00 WAT +ATOM 59631 H1 TIP3 17774 1.980 18.704 36.262 1.00 0.00 WAT +ATOM 59632 H2 TIP3 17774 0.776 19.215 35.464 1.00 0.00 WAT +ATOM 59633 OH2 TIP3 17775 7.206 15.842 42.766 1.00 0.00 WAT +ATOM 59634 H1 TIP3 17775 6.808 16.059 43.622 1.00 0.00 WAT +ATOM 59635 H2 TIP3 17775 6.430 15.766 42.185 1.00 0.00 WAT +ATOM 59636 OH2 TIP3 17776 -0.566 19.974 33.980 1.00 0.00 WAT +ATOM 59637 H1 TIP3 17776 -1.097 19.537 33.296 1.00 0.00 WAT +ATOM 59638 H2 TIP3 17776 0.281 20.055 33.509 1.00 0.00 WAT +ATOM 59639 OH2 TIP3 17777 3.710 19.518 41.944 1.00 0.00 WAT +ATOM 59640 H1 TIP3 17777 4.382 19.178 41.332 1.00 0.00 WAT +ATOM 59641 H2 TIP3 17777 3.728 18.838 42.633 1.00 0.00 WAT +ATOM 59642 OH2 TIP3 17778 -0.916 16.019 37.924 1.00 0.00 WAT +ATOM 59643 H1 TIP3 17778 -1.480 15.228 38.020 1.00 0.00 WAT +ATOM 59644 H2 TIP3 17778 -0.175 15.685 37.399 1.00 0.00 WAT +ATOM 59645 OH2 TIP3 17779 2.888 24.519 35.813 1.00 0.00 WAT +ATOM 59646 H1 TIP3 17779 2.157 23.968 35.458 1.00 0.00 WAT +ATOM 59647 H2 TIP3 17779 2.749 24.467 36.781 1.00 0.00 WAT +ATOM 59648 OH2 TIP3 17780 6.985 17.278 33.615 1.00 0.00 WAT +ATOM 59649 H1 TIP3 17780 6.008 17.249 33.520 1.00 0.00 WAT +ATOM 59650 H2 TIP3 17780 7.145 18.042 34.201 1.00 0.00 WAT +ATOM 59651 OH2 TIP3 17781 7.750 19.139 35.662 1.00 0.00 WAT +ATOM 59652 H1 TIP3 17781 8.638 18.950 36.021 1.00 0.00 WAT +ATOM 59653 H2 TIP3 17781 7.888 19.985 35.200 1.00 0.00 WAT +ATOM 59654 OH2 TIP3 17782 -2.054 23.637 41.775 1.00 0.00 WAT +ATOM 59655 H1 TIP3 17782 -1.515 23.695 40.969 1.00 0.00 WAT +ATOM 59656 H2 TIP3 17782 -1.566 22.921 42.233 1.00 0.00 WAT +ATOM 59657 OH2 TIP3 17783 5.333 25.844 34.748 1.00 0.00 WAT +ATOM 59658 H1 TIP3 17783 5.060 26.702 35.133 1.00 0.00 WAT +ATOM 59659 H2 TIP3 17783 4.587 25.278 35.013 1.00 0.00 WAT +ATOM 59660 OH2 TIP3 17784 12.359 19.114 35.398 1.00 0.00 WAT +ATOM 59661 H1 TIP3 17784 11.814 18.909 34.613 1.00 0.00 WAT +ATOM 59662 H2 TIP3 17784 12.479 20.072 35.246 1.00 0.00 WAT +ATOM 59663 OH2 TIP3 17785 10.568 27.738 35.482 1.00 0.00 WAT +ATOM 59664 H1 TIP3 17785 10.339 26.963 36.016 1.00 0.00 WAT +ATOM 59665 H2 TIP3 17785 11.107 27.361 34.773 1.00 0.00 WAT +ATOM 59666 OH2 TIP3 17786 7.688 23.223 42.495 1.00 0.00 WAT +ATOM 59667 H1 TIP3 17786 6.782 22.910 42.672 1.00 0.00 WAT +ATOM 59668 H2 TIP3 17786 8.066 22.467 42.005 1.00 0.00 WAT +ATOM 59669 OH2 TIP3 17787 0.446 27.137 38.738 1.00 0.00 WAT +ATOM 59670 H1 TIP3 17787 0.872 28.009 38.729 1.00 0.00 WAT +ATOM 59671 H2 TIP3 17787 -0.479 27.371 38.604 1.00 0.00 WAT +ATOM 59672 OH2 TIP3 17788 -3.568 21.987 33.515 1.00 0.00 WAT +ATOM 59673 H1 TIP3 17788 -2.960 22.633 33.922 1.00 0.00 WAT +ATOM 59674 H2 TIP3 17788 -4.428 22.283 33.859 1.00 0.00 WAT +ATOM 59675 OH2 TIP3 17789 2.285 24.847 38.668 1.00 0.00 WAT +ATOM 59676 H1 TIP3 17789 1.938 25.752 38.616 1.00 0.00 WAT +ATOM 59677 H2 TIP3 17789 1.500 24.346 38.937 1.00 0.00 WAT +ATOM 59678 OH2 TIP3 17790 0.894 30.058 38.138 1.00 0.00 WAT +ATOM 59679 H1 TIP3 17790 -0.060 30.229 38.187 1.00 0.00 WAT +ATOM 59680 H2 TIP3 17790 1.258 30.930 38.393 1.00 0.00 WAT +ATOM 59681 OH2 TIP3 17791 8.019 26.172 33.372 1.00 0.00 WAT +ATOM 59682 H1 TIP3 17791 8.446 25.697 34.108 1.00 0.00 WAT +ATOM 59683 H2 TIP3 17791 7.091 26.010 33.614 1.00 0.00 WAT +ATOM 59684 OH2 TIP3 17792 12.766 30.414 33.903 1.00 0.00 WAT +ATOM 59685 H1 TIP3 17792 13.458 31.059 33.679 1.00 0.00 WAT +ATOM 59686 H2 TIP3 17792 11.993 31.008 33.901 1.00 0.00 WAT +ATOM 59687 OH2 TIP3 17793 8.991 24.790 35.762 1.00 0.00 WAT +ATOM 59688 H1 TIP3 17793 8.715 24.051 36.331 1.00 0.00 WAT +ATOM 59689 H2 TIP3 17793 9.961 24.742 35.832 1.00 0.00 WAT +ATOM 59690 OH2 TIP3 17794 2.257 27.206 31.934 1.00 0.00 WAT +ATOM 59691 H1 TIP3 17794 2.554 26.419 31.440 1.00 0.00 WAT +ATOM 59692 H2 TIP3 17794 1.838 26.794 32.708 1.00 0.00 WAT +ATOM 59693 OH2 TIP3 17795 1.085 26.717 34.664 1.00 0.00 WAT +ATOM 59694 H1 TIP3 17795 1.627 26.176 35.259 1.00 0.00 WAT +ATOM 59695 H2 TIP3 17795 1.257 27.625 34.989 1.00 0.00 WAT +ATOM 59696 OH2 TIP3 17796 -2.071 24.164 35.024 1.00 0.00 WAT +ATOM 59697 H1 TIP3 17796 -2.772 24.553 35.579 1.00 0.00 WAT +ATOM 59698 H2 TIP3 17796 -1.569 24.954 34.765 1.00 0.00 WAT +ATOM 59699 OH2 TIP3 17797 6.225 16.077 36.338 1.00 0.00 WAT +ATOM 59700 H1 TIP3 17797 6.429 16.562 35.522 1.00 0.00 WAT +ATOM 59701 H2 TIP3 17797 6.710 16.585 37.008 1.00 0.00 WAT +ATOM 59702 OH2 TIP3 17798 4.057 28.345 35.283 1.00 0.00 WAT +ATOM 59703 H1 TIP3 17798 3.241 28.844 35.452 1.00 0.00 WAT +ATOM 59704 H2 TIP3 17798 4.419 28.811 34.517 1.00 0.00 WAT +ATOM 59705 OH2 TIP3 17799 3.660 18.084 37.269 1.00 0.00 WAT +ATOM 59706 H1 TIP3 17799 4.438 18.653 37.436 1.00 0.00 WAT +ATOM 59707 H2 TIP3 17799 3.351 17.891 38.174 1.00 0.00 WAT +ATOM 59708 OH2 TIP3 17800 4.232 15.073 38.209 1.00 0.00 WAT +ATOM 59709 H1 TIP3 17800 4.076 15.761 38.879 1.00 0.00 WAT +ATOM 59710 H2 TIP3 17800 4.969 15.468 37.699 1.00 0.00 WAT +ATOM 59711 OH2 TIP3 17801 1.251 29.423 35.280 1.00 0.00 WAT +ATOM 59712 H1 TIP3 17801 1.196 30.237 34.736 1.00 0.00 WAT +ATOM 59713 H2 TIP3 17801 1.134 29.773 36.182 1.00 0.00 WAT +ATOM 59714 OH2 TIP3 17802 -0.105 15.976 34.866 1.00 0.00 WAT +ATOM 59715 H1 TIP3 17802 0.004 16.833 35.307 1.00 0.00 WAT +ATOM 59716 H2 TIP3 17802 0.764 15.559 35.026 1.00 0.00 WAT +ATOM 59717 OH2 TIP3 17803 8.742 20.874 41.385 1.00 0.00 WAT +ATOM 59718 H1 TIP3 17803 7.961 20.386 41.069 1.00 0.00 WAT +ATOM 59719 H2 TIP3 17803 9.312 20.140 41.713 1.00 0.00 WAT +ATOM 59720 OH2 TIP3 17804 -1.627 26.975 33.806 1.00 0.00 WAT +ATOM 59721 H1 TIP3 17804 -0.878 27.445 34.213 1.00 0.00 WAT +ATOM 59722 H2 TIP3 17804 -1.136 26.464 33.141 1.00 0.00 WAT +ATOM 59723 OH2 TIP3 17805 -3.527 19.226 33.019 1.00 0.00 WAT +ATOM 59724 H1 TIP3 17805 -3.364 20.169 33.217 1.00 0.00 WAT +ATOM 59725 H2 TIP3 17805 -4.394 19.252 32.608 1.00 0.00 WAT +ATOM 59726 OH2 TIP3 17806 10.085 30.583 43.220 1.00 0.00 WAT +ATOM 59727 H1 TIP3 17806 9.475 30.609 42.474 1.00 0.00 WAT +ATOM 59728 H2 TIP3 17806 10.926 30.320 42.831 1.00 0.00 WAT +ATOM 59729 OH2 TIP3 17807 -2.375 14.205 41.662 1.00 0.00 WAT +ATOM 59730 H1 TIP3 17807 -2.784 14.491 40.828 1.00 0.00 WAT +ATOM 59731 H2 TIP3 17807 -3.148 13.857 42.129 1.00 0.00 WAT +ATOM 59732 OH2 TIP3 17808 -3.682 27.676 38.023 1.00 0.00 WAT +ATOM 59733 H1 TIP3 17808 -4.456 28.228 38.186 1.00 0.00 WAT +ATOM 59734 H2 TIP3 17808 -3.250 28.165 37.306 1.00 0.00 WAT +ATOM 59735 OH2 TIP3 17809 4.483 28.907 32.439 1.00 0.00 WAT +ATOM 59736 H1 TIP3 17809 3.732 28.283 32.338 1.00 0.00 WAT +ATOM 59737 H2 TIP3 17809 5.201 28.365 32.072 1.00 0.00 WAT +ATOM 59738 OH2 TIP3 17810 9.122 28.823 32.549 1.00 0.00 WAT +ATOM 59739 H1 TIP3 17810 9.252 28.004 33.057 1.00 0.00 WAT +ATOM 59740 H2 TIP3 17810 9.918 28.840 31.988 1.00 0.00 WAT +ATOM 59741 OH2 TIP3 17811 -0.087 24.643 32.274 1.00 0.00 WAT +ATOM 59742 H1 TIP3 17811 0.073 24.036 33.016 1.00 0.00 WAT +ATOM 59743 H2 TIP3 17811 0.773 24.592 31.813 1.00 0.00 WAT +ATOM 59744 OH2 TIP3 17812 5.133 25.977 31.895 1.00 0.00 WAT +ATOM 59745 H1 TIP3 17812 5.109 25.923 32.867 1.00 0.00 WAT +ATOM 59746 H2 TIP3 17812 5.107 25.020 31.676 1.00 0.00 WAT +ATOM 59747 OH2 TIP3 17813 0.995 22.738 34.643 1.00 0.00 WAT +ATOM 59748 H1 TIP3 17813 0.396 22.179 35.158 1.00 0.00 WAT +ATOM 59749 H2 TIP3 17813 1.316 22.088 33.979 1.00 0.00 WAT +ATOM 59750 OH2 TIP3 17814 1.972 20.813 32.914 1.00 0.00 WAT +ATOM 59751 H1 TIP3 17814 1.901 20.694 31.952 1.00 0.00 WAT +ATOM 59752 H2 TIP3 17814 2.930 20.692 33.051 1.00 0.00 WAT +ATOM 59753 OH2 TIP3 17815 11.458 23.254 32.201 1.00 0.00 WAT +ATOM 59754 H1 TIP3 17815 11.383 22.807 31.344 1.00 0.00 WAT +ATOM 59755 H2 TIP3 17815 11.358 24.192 31.930 1.00 0.00 WAT +ATOM 59756 OH2 TIP3 17816 1.714 31.962 33.962 1.00 0.00 WAT +ATOM 59757 H1 TIP3 17816 2.667 32.078 34.090 1.00 0.00 WAT +ATOM 59758 H2 TIP3 17816 1.590 32.416 33.119 1.00 0.00 WAT +ATOM 59759 OH2 TIP3 17817 -4.370 26.363 33.510 1.00 0.00 WAT +ATOM 59760 H1 TIP3 17817 -3.415 26.556 33.635 1.00 0.00 WAT +ATOM 59761 H2 TIP3 17817 -4.341 25.581 32.922 1.00 0.00 WAT +ATOM 59762 OH2 TIP3 17818 -5.359 31.546 38.220 1.00 0.00 WAT +ATOM 59763 H1 TIP3 17818 -6.093 31.180 37.691 1.00 0.00 WAT +ATOM 59764 H2 TIP3 17818 -5.270 30.877 38.928 1.00 0.00 WAT +ATOM 59765 OH2 TIP3 17819 -4.977 29.579 40.179 1.00 0.00 WAT +ATOM 59766 H1 TIP3 17819 -5.277 28.694 40.408 1.00 0.00 WAT +ATOM 59767 H2 TIP3 17819 -4.692 29.905 41.054 1.00 0.00 WAT +ATOM 59768 OH2 TIP3 17820 12.784 30.959 42.712 1.00 0.00 WAT +ATOM 59769 H1 TIP3 17820 12.563 30.856 43.655 1.00 0.00 WAT +ATOM 59770 H2 TIP3 17820 13.752 30.980 42.763 1.00 0.00 WAT +ATOM 59771 OH2 TIP3 17821 11.851 24.631 36.135 1.00 0.00 WAT +ATOM 59772 H1 TIP3 17821 12.761 24.945 36.298 1.00 0.00 WAT +ATOM 59773 H2 TIP3 17821 11.763 23.984 36.858 1.00 0.00 WAT +ATOM 59774 OH2 TIP3 17822 12.351 22.569 38.134 1.00 0.00 WAT +ATOM 59775 H1 TIP3 17822 11.652 22.020 38.539 1.00 0.00 WAT +ATOM 59776 H2 TIP3 17822 12.996 22.677 38.858 1.00 0.00 WAT +ATOM 59777 OH2 TIP3 17823 12.072 24.910 43.315 1.00 0.00 WAT +ATOM 59778 H1 TIP3 17823 12.649 24.388 42.747 1.00 0.00 WAT +ATOM 59779 H2 TIP3 17823 12.063 25.774 42.883 1.00 0.00 WAT +ATOM 59780 OH2 TIP3 17824 12.559 22.025 34.697 1.00 0.00 WAT +ATOM 59781 H1 TIP3 17824 12.053 22.295 33.907 1.00 0.00 WAT +ATOM 59782 H2 TIP3 17824 12.440 22.798 35.269 1.00 0.00 WAT +ATOM 59783 OH2 TIP3 17825 10.837 19.600 32.951 1.00 0.00 WAT +ATOM 59784 H1 TIP3 17825 11.109 20.165 32.215 1.00 0.00 WAT +ATOM 59785 H2 TIP3 17825 10.591 18.768 32.498 1.00 0.00 WAT +ATOM 59786 OH2 TIP3 17826 10.228 20.725 38.927 1.00 0.00 WAT +ATOM 59787 H1 TIP3 17826 10.181 19.768 38.759 1.00 0.00 WAT +ATOM 59788 H2 TIP3 17826 9.859 20.802 39.825 1.00 0.00 WAT +ATOM 59789 OH2 TIP3 17827 -4.926 22.781 42.550 1.00 0.00 WAT +ATOM 59790 H1 TIP3 17827 -4.521 22.817 41.662 1.00 0.00 WAT +ATOM 59791 H2 TIP3 17827 -4.169 22.547 43.119 1.00 0.00 WAT +ATOM 59792 OH2 TIP3 17828 10.280 16.947 32.180 1.00 0.00 WAT +ATOM 59793 H1 TIP3 17828 10.862 16.412 32.746 1.00 0.00 WAT +ATOM 59794 H2 TIP3 17828 9.494 16.388 32.061 1.00 0.00 WAT +ATOM 59795 OH2 TIP3 17829 10.120 18.217 37.118 1.00 0.00 WAT +ATOM 59796 H1 TIP3 17829 10.350 17.263 37.155 1.00 0.00 WAT +ATOM 59797 H2 TIP3 17829 10.919 18.570 36.688 1.00 0.00 WAT +ATOM 59798 OH2 TIP3 17830 10.346 18.903 42.185 1.00 0.00 WAT +ATOM 59799 H1 TIP3 17830 11.301 18.867 42.351 1.00 0.00 WAT +ATOM 59800 H2 TIP3 17830 9.973 18.677 43.055 1.00 0.00 WAT +ATOM 59801 OH2 TIP3 17831 10.575 15.429 37.072 1.00 0.00 WAT +ATOM 59802 H1 TIP3 17831 10.689 15.079 37.972 1.00 0.00 WAT +ATOM 59803 H2 TIP3 17831 9.788 14.927 36.772 1.00 0.00 WAT +ATOM 59804 OH2 TIP3 17832 -5.739 19.550 43.035 1.00 0.00 WAT +ATOM 59805 H1 TIP3 17832 -5.365 19.117 42.251 1.00 0.00 WAT +ATOM 59806 H2 TIP3 17832 -5.427 20.461 42.918 1.00 0.00 WAT +ATOM 59807 OH2 TIP3 17833 12.560 15.898 33.753 1.00 0.00 WAT +ATOM 59808 H1 TIP3 17833 12.858 15.094 33.294 1.00 0.00 WAT +ATOM 59809 H2 TIP3 17833 13.380 16.415 33.807 1.00 0.00 WAT +ATOM 59810 OH2 TIP3 17834 -5.154 15.382 36.624 1.00 0.00 WAT +ATOM 59811 H1 TIP3 17834 -6.069 15.622 36.832 1.00 0.00 WAT +ATOM 59812 H2 TIP3 17834 -4.767 16.204 36.265 1.00 0.00 WAT +ATOM 59813 OH2 TIP3 17835 9.452 30.882 39.072 1.00 0.00 WAT +ATOM 59814 H1 TIP3 17835 9.865 30.623 38.228 1.00 0.00 WAT +ATOM 59815 H2 TIP3 17835 10.181 31.347 39.494 1.00 0.00 WAT +ATOM 59816 OH2 TIP3 17836 -3.560 29.861 42.589 1.00 0.00 WAT +ATOM 59817 H1 TIP3 17836 -3.207 29.993 43.502 1.00 0.00 WAT +ATOM 59818 H2 TIP3 17836 -2.708 29.707 42.128 1.00 0.00 WAT +ATOM 59819 OH2 TIP3 17837 -1.330 29.052 41.161 1.00 0.00 WAT +ATOM 59820 H1 TIP3 17837 -1.388 28.106 41.390 1.00 0.00 WAT +ATOM 59821 H2 TIP3 17837 -0.413 29.257 41.450 1.00 0.00 WAT +ATOM 59822 OH2 TIP3 17838 1.301 29.509 42.133 1.00 0.00 WAT +ATOM 59823 H1 TIP3 17838 1.682 28.669 41.843 1.00 0.00 WAT +ATOM 59824 H2 TIP3 17838 1.495 29.482 43.078 1.00 0.00 WAT +ATOM 59825 OH2 TIP3 17839 4.732 15.521 41.322 1.00 0.00 WAT +ATOM 59826 H1 TIP3 17839 4.100 14.811 41.558 1.00 0.00 WAT +ATOM 59827 H2 TIP3 17839 5.356 15.042 40.747 1.00 0.00 WAT +ATOM 59828 OH2 TIP3 17840 9.789 13.586 41.652 1.00 0.00 WAT +ATOM 59829 H1 TIP3 17840 10.431 13.946 41.017 1.00 0.00 WAT +ATOM 59830 H2 TIP3 17840 8.938 13.742 41.212 1.00 0.00 WAT +ATOM 59831 OH2 TIP3 17841 11.777 14.600 39.685 1.00 0.00 WAT +ATOM 59832 H1 TIP3 17841 12.470 14.136 39.178 1.00 0.00 WAT +ATOM 59833 H2 TIP3 17841 12.115 15.516 39.701 1.00 0.00 WAT +ATOM 59834 OH2 TIP3 17842 -2.974 14.168 38.738 1.00 0.00 WAT +ATOM 59835 H1 TIP3 17842 -3.908 14.009 38.500 1.00 0.00 WAT +ATOM 59836 H2 TIP3 17842 -2.607 13.270 38.771 1.00 0.00 WAT +ATOM 59837 OH2 TIP3 17843 -4.192 13.705 34.634 1.00 0.00 WAT +ATOM 59838 H1 TIP3 17843 -3.548 14.329 34.248 1.00 0.00 WAT +ATOM 59839 H2 TIP3 17843 -4.493 14.215 35.420 1.00 0.00 WAT +ATOM 59840 OH2 TIP3 17844 1.626 13.863 38.891 1.00 0.00 WAT +ATOM 59841 H1 TIP3 17844 2.498 14.258 38.727 1.00 0.00 WAT +ATOM 59842 H2 TIP3 17844 1.597 13.851 39.856 1.00 0.00 WAT +ATOM 59843 OH2 TIP3 17845 7.118 14.054 40.093 1.00 0.00 WAT +ATOM 59844 H1 TIP3 17845 7.436 13.833 39.208 1.00 0.00 WAT +ATOM 59845 H2 TIP3 17845 6.797 13.195 40.414 1.00 0.00 WAT +ATOM 59846 OH2 TIP3 17846 8.265 14.033 36.178 1.00 0.00 WAT +ATOM 59847 H1 TIP3 17846 7.435 14.516 36.009 1.00 0.00 WAT +ATOM 59848 H2 TIP3 17846 7.934 13.123 36.277 1.00 0.00 WAT +ATOM 59849 OH2 TIP3 17847 -3.931 29.597 35.951 1.00 0.00 WAT +ATOM 59850 H1 TIP3 17847 -4.540 29.487 35.206 1.00 0.00 WAT +ATOM 59851 H2 TIP3 17847 -3.924 30.561 36.029 1.00 0.00 WAT +ATOM 59852 OH2 TIP3 17848 -2.348 15.506 33.135 1.00 0.00 WAT +ATOM 59853 H1 TIP3 17848 -1.740 14.935 32.632 1.00 0.00 WAT +ATOM 59854 H2 TIP3 17848 -1.750 15.827 33.842 1.00 0.00 WAT +ATOM 59855 OH2 TIP3 17849 2.701 15.628 35.838 1.00 0.00 WAT +ATOM 59856 H1 TIP3 17849 3.087 15.092 36.548 1.00 0.00 WAT +ATOM 59857 H2 TIP3 17849 2.929 16.515 36.154 1.00 0.00 WAT +ATOM 59858 OH2 TIP3 17850 4.757 31.440 34.043 1.00 0.00 WAT +ATOM 59859 H1 TIP3 17850 5.732 31.451 34.007 1.00 0.00 WAT +ATOM 59860 H2 TIP3 17850 4.566 30.771 33.366 1.00 0.00 WAT +ATOM 59861 OH2 TIP3 17851 11.251 30.464 36.643 1.00 0.00 WAT +ATOM 59862 H1 TIP3 17851 11.034 29.615 36.205 1.00 0.00 WAT +ATOM 59863 H2 TIP3 17851 11.232 31.073 35.888 1.00 0.00 WAT +ATOM 59864 OH2 TIP3 17852 -2.485 30.545 32.730 1.00 0.00 WAT +ATOM 59865 H1 TIP3 17852 -2.692 30.830 33.630 1.00 0.00 WAT +ATOM 59866 H2 TIP3 17852 -1.701 29.984 32.861 1.00 0.00 WAT +ATOM 59867 OH2 TIP3 17853 24.791 22.906 39.354 1.00 0.00 WAT +ATOM 59868 H1 TIP3 17853 24.937 23.862 39.261 1.00 0.00 WAT +ATOM 59869 H2 TIP3 17853 24.236 22.717 38.582 1.00 0.00 WAT +ATOM 59870 OH2 TIP3 17854 23.677 21.987 42.530 1.00 0.00 WAT +ATOM 59871 H1 TIP3 17854 24.317 21.316 42.833 1.00 0.00 WAT +ATOM 59872 H2 TIP3 17854 23.881 22.019 41.577 1.00 0.00 WAT +ATOM 59873 OH2 TIP3 17855 27.427 25.046 40.380 1.00 0.00 WAT +ATOM 59874 H1 TIP3 17855 27.029 24.364 40.948 1.00 0.00 WAT +ATOM 59875 H2 TIP3 17855 27.773 25.632 41.091 1.00 0.00 WAT +ATOM 59876 OH2 TIP3 17856 17.018 26.475 42.535 1.00 0.00 WAT +ATOM 59877 H1 TIP3 17856 16.729 25.584 42.256 1.00 0.00 WAT +ATOM 59878 H2 TIP3 17856 17.984 26.341 42.471 1.00 0.00 WAT +ATOM 59879 OH2 TIP3 17857 13.916 20.018 37.826 1.00 0.00 WAT +ATOM 59880 H1 TIP3 17857 13.475 20.883 37.825 1.00 0.00 WAT +ATOM 59881 H2 TIP3 17857 13.258 19.466 37.384 1.00 0.00 WAT +ATOM 59882 OH2 TIP3 17858 14.726 22.380 39.804 1.00 0.00 WAT +ATOM 59883 H1 TIP3 17858 14.898 21.535 40.256 1.00 0.00 WAT +ATOM 59884 H2 TIP3 17858 15.484 22.441 39.210 1.00 0.00 WAT +ATOM 59885 OH2 TIP3 17859 24.479 30.437 41.123 1.00 0.00 WAT +ATOM 59886 H1 TIP3 17859 25.112 29.755 40.839 1.00 0.00 WAT +ATOM 59887 H2 TIP3 17859 24.211 30.138 42.006 1.00 0.00 WAT +ATOM 59888 OH2 TIP3 17860 21.903 24.504 42.865 1.00 0.00 WAT +ATOM 59889 H1 TIP3 17860 22.308 23.979 42.161 1.00 0.00 WAT +ATOM 59890 H2 TIP3 17860 22.718 24.917 43.228 1.00 0.00 WAT +ATOM 59891 OH2 TIP3 17861 25.328 19.417 43.262 1.00 0.00 WAT +ATOM 59892 H1 TIP3 17861 25.690 18.549 43.510 1.00 0.00 WAT +ATOM 59893 H2 TIP3 17861 25.400 19.376 42.292 1.00 0.00 WAT +ATOM 59894 OH2 TIP3 17862 18.455 17.205 40.441 1.00 0.00 WAT +ATOM 59895 H1 TIP3 17862 18.750 17.995 39.956 1.00 0.00 WAT +ATOM 59896 H2 TIP3 17862 18.214 16.631 39.686 1.00 0.00 WAT +ATOM 59897 OH2 TIP3 17863 26.591 17.809 38.725 1.00 0.00 WAT +ATOM 59898 H1 TIP3 17863 26.880 17.058 39.278 1.00 0.00 WAT +ATOM 59899 H2 TIP3 17863 27.306 17.862 38.078 1.00 0.00 WAT +ATOM 59900 OH2 TIP3 17864 15.544 19.846 41.003 1.00 0.00 WAT +ATOM 59901 H1 TIP3 17864 15.908 19.124 41.520 1.00 0.00 WAT +ATOM 59902 H2 TIP3 17864 15.504 19.426 40.122 1.00 0.00 WAT +ATOM 59903 OH2 TIP3 17865 20.522 21.212 40.525 1.00 0.00 WAT +ATOM 59904 H1 TIP3 17865 21.296 20.646 40.657 1.00 0.00 WAT +ATOM 59905 H2 TIP3 17865 20.046 20.681 39.852 1.00 0.00 WAT +ATOM 59906 OH2 TIP3 17866 24.879 25.755 37.926 1.00 0.00 WAT +ATOM 59907 H1 TIP3 17866 24.548 25.503 37.060 1.00 0.00 WAT +ATOM 59908 H2 TIP3 17866 24.412 26.592 38.098 1.00 0.00 WAT +ATOM 59909 OH2 TIP3 17867 28.344 16.571 40.679 1.00 0.00 WAT +ATOM 59910 H1 TIP3 17867 27.948 15.891 41.245 1.00 0.00 WAT +ATOM 59911 H2 TIP3 17867 28.710 17.163 41.356 1.00 0.00 WAT +ATOM 59912 OH2 TIP3 17868 17.701 18.030 42.942 1.00 0.00 WAT +ATOM 59913 H1 TIP3 17868 17.513 18.956 42.762 1.00 0.00 WAT +ATOM 59914 H2 TIP3 17868 17.740 17.625 42.048 1.00 0.00 WAT +ATOM 59915 OH2 TIP3 17869 14.612 25.453 36.268 1.00 0.00 WAT +ATOM 59916 H1 TIP3 17869 14.416 25.940 35.449 1.00 0.00 WAT +ATOM 59917 H2 TIP3 17869 14.774 26.161 36.924 1.00 0.00 WAT +ATOM 59918 OH2 TIP3 17870 28.145 26.372 42.580 1.00 0.00 WAT +ATOM 59919 H1 TIP3 17870 27.523 26.263 43.326 1.00 0.00 WAT +ATOM 59920 H2 TIP3 17870 28.829 26.917 42.978 1.00 0.00 WAT +ATOM 59921 OH2 TIP3 17871 21.595 13.700 41.987 1.00 0.00 WAT +ATOM 59922 H1 TIP3 17871 21.690 12.757 41.795 1.00 0.00 WAT +ATOM 59923 H2 TIP3 17871 20.663 13.801 42.230 1.00 0.00 WAT +ATOM 59924 OH2 TIP3 17872 26.373 28.843 39.666 1.00 0.00 WAT +ATOM 59925 H1 TIP3 17872 26.829 28.036 39.355 1.00 0.00 WAT +ATOM 59926 H2 TIP3 17872 27.028 29.532 39.452 1.00 0.00 WAT +ATOM 59927 OH2 TIP3 17873 27.826 26.696 38.181 1.00 0.00 WAT +ATOM 59928 H1 TIP3 17873 27.271 26.202 37.561 1.00 0.00 WAT +ATOM 59929 H2 TIP3 17873 27.785 26.094 38.955 1.00 0.00 WAT +ATOM 59930 OH2 TIP3 17874 23.623 22.502 36.434 1.00 0.00 WAT +ATOM 59931 H1 TIP3 17874 22.941 22.998 35.950 1.00 0.00 WAT +ATOM 59932 H2 TIP3 17874 24.329 22.437 35.768 1.00 0.00 WAT +ATOM 59933 OH2 TIP3 17875 23.889 20.632 33.485 1.00 0.00 WAT +ATOM 59934 H1 TIP3 17875 24.615 20.922 34.065 1.00 0.00 WAT +ATOM 59935 H2 TIP3 17875 24.356 20.011 32.908 1.00 0.00 WAT +ATOM 59936 OH2 TIP3 17876 27.118 22.445 37.501 1.00 0.00 WAT +ATOM 59937 H1 TIP3 17876 26.457 22.623 38.195 1.00 0.00 WAT +ATOM 59938 H2 TIP3 17876 27.715 21.834 37.973 1.00 0.00 WAT +ATOM 59939 OH2 TIP3 17877 18.692 23.200 39.294 1.00 0.00 WAT +ATOM 59940 H1 TIP3 17877 18.330 22.804 38.473 1.00 0.00 WAT +ATOM 59941 H2 TIP3 17877 19.334 22.529 39.572 1.00 0.00 WAT +ATOM 59942 OH2 TIP3 17878 19.692 26.257 41.629 1.00 0.00 WAT +ATOM 59943 H1 TIP3 17878 19.925 26.005 40.722 1.00 0.00 WAT +ATOM 59944 H2 TIP3 17878 20.558 26.387 42.041 1.00 0.00 WAT +ATOM 59945 OH2 TIP3 17879 19.753 21.854 43.142 1.00 0.00 WAT +ATOM 59946 H1 TIP3 17879 19.682 21.876 42.167 1.00 0.00 WAT +ATOM 59947 H2 TIP3 17879 19.220 22.638 43.395 1.00 0.00 WAT +ATOM 59948 OH2 TIP3 17880 26.065 21.903 34.939 1.00 0.00 WAT +ATOM 59949 H1 TIP3 17880 26.553 22.136 35.754 1.00 0.00 WAT +ATOM 59950 H2 TIP3 17880 26.560 22.422 34.260 1.00 0.00 WAT +ATOM 59951 OH2 TIP3 17881 23.561 28.481 38.518 1.00 0.00 WAT +ATOM 59952 H1 TIP3 17881 24.019 28.815 39.298 1.00 0.00 WAT +ATOM 59953 H2 TIP3 17881 23.055 29.253 38.220 1.00 0.00 WAT +ATOM 59954 OH2 TIP3 17882 29.515 13.591 34.465 1.00 0.00 WAT +ATOM 59955 H1 TIP3 17882 28.603 13.686 34.808 1.00 0.00 WAT +ATOM 59956 H2 TIP3 17882 29.841 14.502 34.534 1.00 0.00 WAT +ATOM 59957 OH2 TIP3 17883 17.592 21.992 36.859 1.00 0.00 WAT +ATOM 59958 H1 TIP3 17883 17.424 22.696 36.207 1.00 0.00 WAT +ATOM 59959 H2 TIP3 17883 17.037 21.275 36.521 1.00 0.00 WAT +ATOM 59960 OH2 TIP3 17884 30.986 27.843 32.915 1.00 0.00 WAT +ATOM 59961 H1 TIP3 17884 31.108 28.715 33.317 1.00 0.00 WAT +ATOM 59962 H2 TIP3 17884 31.820 27.382 33.146 1.00 0.00 WAT +ATOM 59963 OH2 TIP3 17885 13.843 27.358 42.408 1.00 0.00 WAT +ATOM 59964 H1 TIP3 17885 14.809 27.342 42.436 1.00 0.00 WAT +ATOM 59965 H2 TIP3 17885 13.640 28.192 42.851 1.00 0.00 WAT +ATOM 59966 OH2 TIP3 17886 23.106 31.196 37.015 1.00 0.00 WAT +ATOM 59967 H1 TIP3 17886 23.020 31.298 36.056 1.00 0.00 WAT +ATOM 59968 H2 TIP3 17886 23.103 32.114 37.333 1.00 0.00 WAT +ATOM 59969 OH2 TIP3 17887 16.888 30.325 38.622 1.00 0.00 WAT +ATOM 59970 H1 TIP3 17887 17.025 29.861 39.472 1.00 0.00 WAT +ATOM 59971 H2 TIP3 17887 16.055 29.934 38.324 1.00 0.00 WAT +ATOM 59972 OH2 TIP3 17888 26.382 30.533 34.087 1.00 0.00 WAT +ATOM 59973 H1 TIP3 17888 26.692 29.703 33.684 1.00 0.00 WAT +ATOM 59974 H2 TIP3 17888 26.286 30.265 35.026 1.00 0.00 WAT +ATOM 59975 OH2 TIP3 17889 25.791 30.104 36.929 1.00 0.00 WAT +ATOM 59976 H1 TIP3 17889 24.842 30.264 37.099 1.00 0.00 WAT +ATOM 59977 H2 TIP3 17889 25.944 29.367 37.543 1.00 0.00 WAT +ATOM 59978 OH2 TIP3 17890 19.044 14.510 42.936 1.00 0.00 WAT +ATOM 59979 H1 TIP3 17890 18.257 14.254 42.428 1.00 0.00 WAT +ATOM 59980 H2 TIP3 17890 18.921 15.459 43.040 1.00 0.00 WAT +ATOM 59981 OH2 TIP3 17891 27.643 23.018 32.957 1.00 0.00 WAT +ATOM 59982 H1 TIP3 17891 27.399 22.789 32.037 1.00 0.00 WAT +ATOM 59983 H2 TIP3 17891 28.602 23.158 32.864 1.00 0.00 WAT +ATOM 59984 OH2 TIP3 17892 23.258 16.735 33.452 1.00 0.00 WAT +ATOM 59985 H1 TIP3 17892 22.831 16.569 34.305 1.00 0.00 WAT +ATOM 59986 H2 TIP3 17892 22.858 16.031 32.913 1.00 0.00 WAT +ATOM 59987 OH2 TIP3 17893 18.919 19.568 38.828 1.00 0.00 WAT +ATOM 59988 H1 TIP3 17893 17.974 19.401 38.657 1.00 0.00 WAT +ATOM 59989 H2 TIP3 17893 19.296 19.290 37.965 1.00 0.00 WAT +ATOM 59990 OH2 TIP3 17894 24.563 20.175 37.711 1.00 0.00 WAT +ATOM 59991 H1 TIP3 17894 24.076 20.871 37.229 1.00 0.00 WAT +ATOM 59992 H2 TIP3 17894 25.192 19.860 37.041 1.00 0.00 WAT +ATOM 59993 OH2 TIP3 17895 25.249 19.540 40.437 1.00 0.00 WAT +ATOM 59994 H1 TIP3 17895 25.007 20.010 39.612 1.00 0.00 WAT +ATOM 59995 H2 TIP3 17895 25.537 18.697 40.014 1.00 0.00 WAT +ATOM 59996 OH2 TIP3 17896 19.707 17.197 32.358 1.00 0.00 WAT +ATOM 59997 H1 TIP3 17896 19.355 16.820 33.190 1.00 0.00 WAT +ATOM 59998 H2 TIP3 17896 18.910 17.298 31.824 1.00 0.00 WAT +ATOM 59999 OH2 TIP3 17897 13.178 17.092 39.448 1.00 0.00 WAT +ATOM 60000 H1 TIP3 17897 13.771 16.980 40.211 1.00 0.00 WAT +ATOM 60001 H2 TIP3 17897 13.655 16.664 38.717 1.00 0.00 WAT +ATOM 60002 OH2 TIP3 17898 14.746 17.487 35.150 1.00 0.00 WAT +ATOM 60003 H1 TIP3 17898 15.281 17.960 34.480 1.00 0.00 WAT +ATOM 60004 H2 TIP3 17898 14.031 18.128 35.302 1.00 0.00 WAT +ATOM 60005 OH2 TIP3 17899 21.615 17.288 40.079 1.00 0.00 WAT +ATOM 60006 H1 TIP3 17899 20.758 16.843 40.079 1.00 0.00 WAT +ATOM 60007 H2 TIP3 17899 22.192 16.602 40.452 1.00 0.00 WAT +ATOM 60008 OH2 TIP3 17900 16.232 18.337 38.540 1.00 0.00 WAT +ATOM 60009 H1 TIP3 17900 15.413 18.571 38.068 1.00 0.00 WAT +ATOM 60010 H2 TIP3 17900 16.535 17.537 38.068 1.00 0.00 WAT +ATOM 60011 OH2 TIP3 17901 19.845 18.704 36.262 1.00 0.00 WAT +ATOM 60012 H1 TIP3 17901 20.819 18.668 36.325 1.00 0.00 WAT +ATOM 60013 H2 TIP3 17901 19.677 19.243 35.472 1.00 0.00 WAT +ATOM 60014 OH2 TIP3 17902 25.808 16.056 42.562 1.00 0.00 WAT +ATOM 60015 H1 TIP3 17902 25.278 15.975 43.362 1.00 0.00 WAT +ATOM 60016 H2 TIP3 17902 25.261 15.633 41.876 1.00 0.00 WAT +ATOM 60017 OH2 TIP3 17903 18.312 19.935 33.990 1.00 0.00 WAT +ATOM 60018 H1 TIP3 17903 17.724 19.607 33.292 1.00 0.00 WAT +ATOM 60019 H2 TIP3 17903 19.128 20.089 33.483 1.00 0.00 WAT +ATOM 60020 OH2 TIP3 17904 22.599 19.333 42.072 1.00 0.00 WAT +ATOM 60021 H1 TIP3 17904 23.099 19.129 41.261 1.00 0.00 WAT +ATOM 60022 H2 TIP3 17904 22.749 18.504 42.556 1.00 0.00 WAT +ATOM 60023 OH2 TIP3 17905 18.009 16.054 37.880 1.00 0.00 WAT +ATOM 60024 H1 TIP3 17905 17.457 15.262 37.990 1.00 0.00 WAT +ATOM 60025 H2 TIP3 17905 18.811 15.687 37.478 1.00 0.00 WAT +ATOM 60026 OH2 TIP3 17906 21.722 24.550 35.811 1.00 0.00 WAT +ATOM 60027 H1 TIP3 17906 21.014 23.977 35.439 1.00 0.00 WAT +ATOM 60028 H2 TIP3 17906 21.606 24.441 36.774 1.00 0.00 WAT +ATOM 60029 OH2 TIP3 17907 25.960 17.338 33.549 1.00 0.00 WAT +ATOM 60030 H1 TIP3 17907 24.986 17.208 33.613 1.00 0.00 WAT +ATOM 60031 H2 TIP3 17907 26.135 17.983 34.263 1.00 0.00 WAT +ATOM 60032 OH2 TIP3 17908 26.631 19.133 35.610 1.00 0.00 WAT +ATOM 60033 H1 TIP3 17908 27.486 18.966 36.051 1.00 0.00 WAT +ATOM 60034 H2 TIP3 17908 26.770 20.000 35.193 1.00 0.00 WAT +ATOM 60035 OH2 TIP3 17909 16.799 23.644 41.720 1.00 0.00 WAT +ATOM 60036 H1 TIP3 17909 17.354 23.694 40.924 1.00 0.00 WAT +ATOM 60037 H2 TIP3 17909 17.042 22.790 42.088 1.00 0.00 WAT +ATOM 60038 OH2 TIP3 17910 24.195 25.852 34.764 1.00 0.00 WAT +ATOM 60039 H1 TIP3 17910 23.905 26.697 35.159 1.00 0.00 WAT +ATOM 60040 H2 TIP3 17910 23.459 25.265 35.008 1.00 0.00 WAT +ATOM 60041 OH2 TIP3 17911 31.240 19.097 35.363 1.00 0.00 WAT +ATOM 60042 H1 TIP3 17911 30.662 18.925 34.594 1.00 0.00 WAT +ATOM 60043 H2 TIP3 17911 31.359 20.060 35.250 1.00 0.00 WAT +ATOM 60044 OH2 TIP3 17912 29.560 27.838 35.535 1.00 0.00 WAT +ATOM 60045 H1 TIP3 17912 29.187 27.144 36.106 1.00 0.00 WAT +ATOM 60046 H2 TIP3 17912 29.969 27.317 34.834 1.00 0.00 WAT +ATOM 60047 OH2 TIP3 17913 26.484 23.251 42.381 1.00 0.00 WAT +ATOM 60048 H1 TIP3 17913 25.814 22.870 42.954 1.00 0.00 WAT +ATOM 60049 H2 TIP3 17913 26.908 22.459 41.989 1.00 0.00 WAT +ATOM 60050 OH2 TIP3 17914 19.315 27.140 38.770 1.00 0.00 WAT +ATOM 60051 H1 TIP3 17914 19.706 28.028 38.718 1.00 0.00 WAT +ATOM 60052 H2 TIP3 17914 18.380 27.332 38.624 1.00 0.00 WAT +ATOM 60053 OH2 TIP3 17915 15.297 21.946 33.517 1.00 0.00 WAT +ATOM 60054 H1 TIP3 17915 15.876 22.624 33.907 1.00 0.00 WAT +ATOM 60055 H2 TIP3 17915 14.420 22.234 33.830 1.00 0.00 WAT +ATOM 60056 OH2 TIP3 17916 21.143 24.862 38.738 1.00 0.00 WAT +ATOM 60057 H1 TIP3 17916 20.789 25.758 38.617 1.00 0.00 WAT +ATOM 60058 H2 TIP3 17916 20.341 24.356 38.935 1.00 0.00 WAT +ATOM 60059 OH2 TIP3 17917 19.749 30.058 38.134 1.00 0.00 WAT +ATOM 60060 H1 TIP3 17917 18.791 30.207 38.198 1.00 0.00 WAT +ATOM 60061 H2 TIP3 17917 20.095 30.936 38.390 1.00 0.00 WAT +ATOM 60062 OH2 TIP3 17918 26.945 26.272 33.407 1.00 0.00 WAT +ATOM 60063 H1 TIP3 17918 27.288 25.693 34.120 1.00 0.00 WAT +ATOM 60064 H2 TIP3 17918 25.997 26.068 33.515 1.00 0.00 WAT +ATOM 60065 OH2 TIP3 17919 31.228 30.751 33.940 1.00 0.00 WAT +ATOM 60066 H1 TIP3 17919 32.109 30.938 33.568 1.00 0.00 WAT +ATOM 60067 H2 TIP3 17919 31.129 31.584 34.417 1.00 0.00 WAT +ATOM 60068 OH2 TIP3 17920 27.870 24.812 35.733 1.00 0.00 WAT +ATOM 60069 H1 TIP3 17920 27.553 24.083 36.294 1.00 0.00 WAT +ATOM 60070 H2 TIP3 17920 28.833 24.751 35.860 1.00 0.00 WAT +ATOM 60071 OH2 TIP3 17921 21.161 27.216 31.983 1.00 0.00 WAT +ATOM 60072 H1 TIP3 17921 21.342 26.463 31.390 1.00 0.00 WAT +ATOM 60073 H2 TIP3 17921 20.682 26.770 32.703 1.00 0.00 WAT +ATOM 60074 OH2 TIP3 17922 19.939 26.727 34.665 1.00 0.00 WAT +ATOM 60075 H1 TIP3 17922 20.467 26.173 35.261 1.00 0.00 WAT +ATOM 60076 H2 TIP3 17922 20.107 27.631 35.000 1.00 0.00 WAT +ATOM 60077 OH2 TIP3 17923 16.820 24.159 35.055 1.00 0.00 WAT +ATOM 60078 H1 TIP3 17923 16.083 24.543 35.569 1.00 0.00 WAT +ATOM 60079 H2 TIP3 17923 17.277 24.961 34.754 1.00 0.00 WAT +ATOM 60080 OH2 TIP3 17924 24.992 15.930 36.170 1.00 0.00 WAT +ATOM 60081 H1 TIP3 17924 25.347 16.715 35.749 1.00 0.00 WAT +ATOM 60082 H2 TIP3 17924 25.028 16.134 37.125 1.00 0.00 WAT +ATOM 60083 OH2 TIP3 17925 22.962 28.416 35.294 1.00 0.00 WAT +ATOM 60084 H1 TIP3 17925 22.093 28.825 35.440 1.00 0.00 WAT +ATOM 60085 H2 TIP3 17925 23.207 28.762 34.424 1.00 0.00 WAT +ATOM 60086 OH2 TIP3 17926 22.453 18.125 37.323 1.00 0.00 WAT +ATOM 60087 H1 TIP3 17926 23.323 18.531 37.470 1.00 0.00 WAT +ATOM 60088 H2 TIP3 17926 22.278 17.753 38.208 1.00 0.00 WAT +ATOM 60089 OH2 TIP3 17927 20.161 29.424 35.288 1.00 0.00 WAT +ATOM 60090 H1 TIP3 17927 20.042 30.224 34.734 1.00 0.00 WAT +ATOM 60091 H2 TIP3 17927 19.978 29.768 36.182 1.00 0.00 WAT +ATOM 60092 OH2 TIP3 17928 18.859 16.090 34.748 1.00 0.00 WAT +ATOM 60093 H1 TIP3 17928 18.880 16.839 35.366 1.00 0.00 WAT +ATOM 60094 H2 TIP3 17928 19.660 15.601 35.029 1.00 0.00 WAT +ATOM 60095 OH2 TIP3 17929 27.574 20.866 41.417 1.00 0.00 WAT +ATOM 60096 H1 TIP3 17929 26.828 20.360 41.045 1.00 0.00 WAT +ATOM 60097 H2 TIP3 17929 28.161 20.132 41.724 1.00 0.00 WAT +ATOM 60098 OH2 TIP3 17930 17.235 26.975 33.789 1.00 0.00 WAT +ATOM 60099 H1 TIP3 17930 17.991 27.429 34.199 1.00 0.00 WAT +ATOM 60100 H2 TIP3 17930 17.713 26.458 33.120 1.00 0.00 WAT +ATOM 60101 OH2 TIP3 17931 15.370 19.141 32.957 1.00 0.00 WAT +ATOM 60102 H1 TIP3 17931 15.492 20.087 33.165 1.00 0.00 WAT +ATOM 60103 H2 TIP3 17931 14.525 19.143 32.491 1.00 0.00 WAT +ATOM 60104 OH2 TIP3 17932 28.903 30.683 43.153 1.00 0.00 WAT +ATOM 60105 H1 TIP3 17932 28.281 30.467 42.453 1.00 0.00 WAT +ATOM 60106 H2 TIP3 17932 29.747 30.315 42.864 1.00 0.00 WAT +ATOM 60107 OH2 TIP3 17933 16.206 14.170 41.731 1.00 0.00 WAT +ATOM 60108 H1 TIP3 17933 16.112 14.172 40.756 1.00 0.00 WAT +ATOM 60109 H2 TIP3 17933 15.960 13.262 41.962 1.00 0.00 WAT +ATOM 60110 OH2 TIP3 17934 15.201 27.674 38.002 1.00 0.00 WAT +ATOM 60111 H1 TIP3 17934 14.420 28.191 38.240 1.00 0.00 WAT +ATOM 60112 H2 TIP3 17934 15.567 28.199 37.274 1.00 0.00 WAT +ATOM 60113 OH2 TIP3 17935 23.361 28.878 32.468 1.00 0.00 WAT +ATOM 60114 H1 TIP3 17935 22.565 28.308 32.354 1.00 0.00 WAT +ATOM 60115 H2 TIP3 17935 24.027 28.289 32.073 1.00 0.00 WAT +ATOM 60116 OH2 TIP3 17936 28.188 28.805 32.670 1.00 0.00 WAT +ATOM 60117 H1 TIP3 17936 28.053 27.914 33.051 1.00 0.00 WAT +ATOM 60118 H2 TIP3 17936 28.725 28.612 31.877 1.00 0.00 WAT +ATOM 60119 OH2 TIP3 17937 18.770 24.681 32.282 1.00 0.00 WAT +ATOM 60120 H1 TIP3 17937 18.930 24.034 32.988 1.00 0.00 WAT +ATOM 60121 H2 TIP3 17937 19.599 24.592 31.766 1.00 0.00 WAT +ATOM 60122 OH2 TIP3 17938 24.084 26.005 31.915 1.00 0.00 WAT +ATOM 60123 H1 TIP3 17938 23.937 25.869 32.868 1.00 0.00 WAT +ATOM 60124 H2 TIP3 17938 23.968 25.082 31.601 1.00 0.00 WAT +ATOM 60125 OH2 TIP3 17939 19.895 22.705 34.660 1.00 0.00 WAT +ATOM 60126 H1 TIP3 17939 19.246 22.178 35.147 1.00 0.00 WAT +ATOM 60127 H2 TIP3 17939 20.174 22.060 33.976 1.00 0.00 WAT +ATOM 60128 OH2 TIP3 17940 20.806 20.759 32.870 1.00 0.00 WAT +ATOM 60129 H1 TIP3 17940 20.758 20.815 31.894 1.00 0.00 WAT +ATOM 60130 H2 TIP3 17940 21.769 20.701 33.008 1.00 0.00 WAT +ATOM 60131 OH2 TIP3 17941 30.303 23.274 32.182 1.00 0.00 WAT +ATOM 60132 H1 TIP3 17941 30.211 22.805 31.338 1.00 0.00 WAT +ATOM 60133 H2 TIP3 17941 30.241 24.203 31.887 1.00 0.00 WAT +ATOM 60134 OH2 TIP3 17942 20.567 31.979 33.976 1.00 0.00 WAT +ATOM 60135 H1 TIP3 17942 21.522 32.107 34.044 1.00 0.00 WAT +ATOM 60136 H2 TIP3 17942 20.385 32.393 33.123 1.00 0.00 WAT +ATOM 60137 OH2 TIP3 17943 14.483 26.364 33.507 1.00 0.00 WAT +ATOM 60138 H1 TIP3 17943 15.440 26.550 33.622 1.00 0.00 WAT +ATOM 60139 H2 TIP3 17943 14.496 25.580 32.920 1.00 0.00 WAT +ATOM 60140 OH2 TIP3 17944 13.519 31.536 38.208 1.00 0.00 WAT +ATOM 60141 H1 TIP3 17944 12.772 31.177 37.691 1.00 0.00 WAT +ATOM 60142 H2 TIP3 17944 13.586 30.879 38.930 1.00 0.00 WAT +ATOM 60143 OH2 TIP3 17945 13.885 29.556 40.190 1.00 0.00 WAT +ATOM 60144 H1 TIP3 17945 13.601 28.673 40.469 1.00 0.00 WAT +ATOM 60145 H2 TIP3 17945 14.129 29.922 41.060 1.00 0.00 WAT +ATOM 60146 OH2 TIP3 17946 31.651 30.986 42.725 1.00 0.00 WAT +ATOM 60147 H1 TIP3 17946 31.448 30.849 43.668 1.00 0.00 WAT +ATOM 60148 H2 TIP3 17946 32.621 30.970 42.760 1.00 0.00 WAT +ATOM 60149 OH2 TIP3 17947 30.726 24.626 36.126 1.00 0.00 WAT +ATOM 60150 H1 TIP3 17947 31.633 24.928 36.319 1.00 0.00 WAT +ATOM 60151 H2 TIP3 17947 30.608 23.985 36.851 1.00 0.00 WAT +ATOM 60152 OH2 TIP3 17948 31.192 22.578 38.124 1.00 0.00 WAT +ATOM 60153 H1 TIP3 17948 30.504 22.024 38.541 1.00 0.00 WAT +ATOM 60154 H2 TIP3 17948 31.859 22.671 38.835 1.00 0.00 WAT +ATOM 60155 OH2 TIP3 17949 30.867 24.895 43.271 1.00 0.00 WAT +ATOM 60156 H1 TIP3 17949 31.523 24.384 42.781 1.00 0.00 WAT +ATOM 60157 H2 TIP3 17949 30.955 25.780 42.893 1.00 0.00 WAT +ATOM 60158 OH2 TIP3 17950 31.447 22.034 34.677 1.00 0.00 WAT +ATOM 60159 H1 TIP3 17950 30.910 22.307 33.911 1.00 0.00 WAT +ATOM 60160 H2 TIP3 17950 31.296 22.773 35.287 1.00 0.00 WAT +ATOM 60161 OH2 TIP3 17951 29.709 19.591 32.942 1.00 0.00 WAT +ATOM 60162 H1 TIP3 17951 29.957 20.166 32.205 1.00 0.00 WAT +ATOM 60163 H2 TIP3 17951 29.449 18.767 32.486 1.00 0.00 WAT +ATOM 60164 OH2 TIP3 17952 29.087 20.713 38.927 1.00 0.00 WAT +ATOM 60165 H1 TIP3 17952 29.006 19.757 38.762 1.00 0.00 WAT +ATOM 60166 H2 TIP3 17952 28.714 20.795 39.822 1.00 0.00 WAT +ATOM 60167 OH2 TIP3 17953 13.943 22.532 42.614 1.00 0.00 WAT +ATOM 60168 H1 TIP3 17953 14.274 22.842 41.753 1.00 0.00 WAT +ATOM 60169 H2 TIP3 17953 14.732 22.582 43.177 1.00 0.00 WAT +ATOM 60170 OH2 TIP3 17954 29.181 16.918 32.129 1.00 0.00 WAT +ATOM 60171 H1 TIP3 17954 29.730 16.437 32.774 1.00 0.00 WAT +ATOM 60172 H2 TIP3 17954 28.349 16.419 32.117 1.00 0.00 WAT +ATOM 60173 OH2 TIP3 17955 29.011 18.212 37.065 1.00 0.00 WAT +ATOM 60174 H1 TIP3 17955 29.224 17.258 37.145 1.00 0.00 WAT +ATOM 60175 H2 TIP3 17955 29.828 18.544 36.656 1.00 0.00 WAT +ATOM 60176 OH2 TIP3 17956 29.201 18.923 42.212 1.00 0.00 WAT +ATOM 60177 H1 TIP3 17956 30.151 18.830 42.378 1.00 0.00 WAT +ATOM 60178 H2 TIP3 17956 28.807 18.629 43.052 1.00 0.00 WAT +ATOM 60179 OH2 TIP3 17957 29.442 15.396 37.096 1.00 0.00 WAT +ATOM 60180 H1 TIP3 17957 29.413 15.083 38.014 1.00 0.00 WAT +ATOM 60181 H2 TIP3 17957 28.643 14.953 36.739 1.00 0.00 WAT +ATOM 60182 OH2 TIP3 17958 14.675 16.723 41.945 1.00 0.00 WAT +ATOM 60183 H1 TIP3 17958 14.946 15.789 42.014 1.00 0.00 WAT +ATOM 60184 H2 TIP3 17958 15.305 17.122 42.552 1.00 0.00 WAT +ATOM 60185 OH2 TIP3 17959 13.133 19.583 43.043 1.00 0.00 WAT +ATOM 60186 H1 TIP3 17959 13.521 19.214 42.234 1.00 0.00 WAT +ATOM 60187 H2 TIP3 17959 13.386 20.524 42.967 1.00 0.00 WAT +ATOM 60188 OH2 TIP3 17960 31.412 15.913 33.737 1.00 0.00 WAT +ATOM 60189 H1 TIP3 17960 31.720 15.099 33.305 1.00 0.00 WAT +ATOM 60190 H2 TIP3 17960 32.234 16.422 33.827 1.00 0.00 WAT +ATOM 60191 OH2 TIP3 17961 13.648 15.662 36.964 1.00 0.00 WAT +ATOM 60192 H1 TIP3 17961 12.709 15.674 36.713 1.00 0.00 WAT +ATOM 60193 H2 TIP3 17961 14.067 16.229 36.286 1.00 0.00 WAT +ATOM 60194 OH2 TIP3 17962 28.280 30.911 39.080 1.00 0.00 WAT +ATOM 60195 H1 TIP3 17962 28.710 30.685 38.235 1.00 0.00 WAT +ATOM 60196 H2 TIP3 17962 29.002 31.354 39.540 1.00 0.00 WAT +ATOM 60197 OH2 TIP3 17963 15.313 29.904 42.628 1.00 0.00 WAT +ATOM 60198 H1 TIP3 17963 15.677 29.967 43.537 1.00 0.00 WAT +ATOM 60199 H2 TIP3 17963 16.147 29.742 42.139 1.00 0.00 WAT +ATOM 60200 OH2 TIP3 17964 17.525 29.056 41.158 1.00 0.00 WAT +ATOM 60201 H1 TIP3 17964 17.416 28.121 41.415 1.00 0.00 WAT +ATOM 60202 H2 TIP3 17964 18.437 29.242 41.466 1.00 0.00 WAT +ATOM 60203 OH2 TIP3 17965 20.183 29.530 42.128 1.00 0.00 WAT +ATOM 60204 H1 TIP3 17965 20.546 28.681 41.850 1.00 0.00 WAT +ATOM 60205 H2 TIP3 17965 20.332 29.497 43.081 1.00 0.00 WAT +ATOM 60206 OH2 TIP3 17966 28.159 13.741 41.447 1.00 0.00 WAT +ATOM 60207 H1 TIP3 17966 28.975 14.042 41.018 1.00 0.00 WAT +ATOM 60208 H2 TIP3 17966 27.489 13.850 40.753 1.00 0.00 WAT +ATOM 60209 OH2 TIP3 17967 30.687 14.534 39.787 1.00 0.00 WAT +ATOM 60210 H1 TIP3 17967 31.307 14.187 39.126 1.00 0.00 WAT +ATOM 60211 H2 TIP3 17967 30.859 15.489 39.781 1.00 0.00 WAT +ATOM 60212 OH2 TIP3 17968 15.943 14.157 38.894 1.00 0.00 WAT +ATOM 60213 H1 TIP3 17968 15.085 14.016 38.448 1.00 0.00 WAT +ATOM 60214 H2 TIP3 17968 16.372 13.292 38.743 1.00 0.00 WAT +ATOM 60215 OH2 TIP3 17969 14.767 13.643 34.768 1.00 0.00 WAT +ATOM 60216 H1 TIP3 17969 15.280 14.298 34.257 1.00 0.00 WAT +ATOM 60217 H2 TIP3 17969 14.357 14.192 35.453 1.00 0.00 WAT +ATOM 60218 OH2 TIP3 17970 20.542 14.100 38.928 1.00 0.00 WAT +ATOM 60219 H1 TIP3 17970 21.492 14.238 38.787 1.00 0.00 WAT +ATOM 60220 H2 TIP3 17970 20.546 13.773 39.832 1.00 0.00 WAT +ATOM 60221 OH2 TIP3 17971 27.114 14.071 36.062 1.00 0.00 WAT +ATOM 60222 H1 TIP3 17971 26.278 14.589 36.072 1.00 0.00 WAT +ATOM 60223 H2 TIP3 17971 26.790 13.231 36.433 1.00 0.00 WAT +ATOM 60224 OH2 TIP3 17972 14.954 29.602 35.937 1.00 0.00 WAT +ATOM 60225 H1 TIP3 17972 14.316 29.473 35.218 1.00 0.00 WAT +ATOM 60226 H2 TIP3 17972 14.920 30.565 36.025 1.00 0.00 WAT +ATOM 60227 OH2 TIP3 17973 16.486 15.473 33.220 1.00 0.00 WAT +ATOM 60228 H1 TIP3 17973 17.084 14.907 32.702 1.00 0.00 WAT +ATOM 60229 H2 TIP3 17973 17.092 15.795 33.915 1.00 0.00 WAT +ATOM 60230 OH2 TIP3 17974 21.529 15.643 35.888 1.00 0.00 WAT +ATOM 60231 H1 TIP3 17974 21.918 14.963 36.458 1.00 0.00 WAT +ATOM 60232 H2 TIP3 17974 21.857 16.456 36.304 1.00 0.00 WAT +ATOM 60233 OH2 TIP3 17975 23.647 31.517 33.921 1.00 0.00 WAT +ATOM 60234 H1 TIP3 17975 24.604 31.381 34.021 1.00 0.00 WAT +ATOM 60235 H2 TIP3 17975 23.398 30.756 33.373 1.00 0.00 WAT +ATOM 60236 OH2 TIP3 17976 29.955 30.597 36.666 1.00 0.00 WAT +ATOM 60237 H1 TIP3 17976 29.813 29.740 36.211 1.00 0.00 WAT +ATOM 60238 H2 TIP3 17976 29.991 31.217 35.934 1.00 0.00 WAT +ATOM 60239 OH2 TIP3 17977 16.388 30.565 32.727 1.00 0.00 WAT +ATOM 60240 H1 TIP3 17977 16.141 30.819 33.628 1.00 0.00 WAT +ATOM 60241 H2 TIP3 17977 17.143 29.972 32.873 1.00 0.00 WAT +ATOM 60242 OH2 TIP3 17978 42.670 22.118 42.088 1.00 0.00 WAT +ATOM 60243 H1 TIP3 17978 42.524 21.689 42.945 1.00 0.00 WAT +ATOM 60244 H2 TIP3 17978 42.203 21.539 41.471 1.00 0.00 WAT +ATOM 60245 OH2 TIP3 17979 35.832 26.496 42.455 1.00 0.00 WAT +ATOM 60246 H1 TIP3 17979 35.581 25.580 42.243 1.00 0.00 WAT +ATOM 60247 H2 TIP3 17979 36.796 26.363 42.536 1.00 0.00 WAT +ATOM 60248 OH2 TIP3 17980 32.812 20.012 37.765 1.00 0.00 WAT +ATOM 60249 H1 TIP3 17980 32.363 20.866 37.866 1.00 0.00 WAT +ATOM 60250 H2 TIP3 17980 32.095 19.452 37.445 1.00 0.00 WAT +ATOM 60251 OH2 TIP3 17981 33.548 22.352 39.745 1.00 0.00 WAT +ATOM 60252 H1 TIP3 17981 33.758 21.571 40.290 1.00 0.00 WAT +ATOM 60253 H2 TIP3 17981 34.377 22.475 39.269 1.00 0.00 WAT +ATOM 60254 OH2 TIP3 17982 40.635 24.280 42.828 1.00 0.00 WAT +ATOM 60255 H1 TIP3 17982 41.164 23.855 42.138 1.00 0.00 WAT +ATOM 60256 H2 TIP3 17982 41.358 24.775 43.273 1.00 0.00 WAT +ATOM 60257 OH2 TIP3 17983 37.409 17.162 40.407 1.00 0.00 WAT +ATOM 60258 H1 TIP3 17983 37.534 18.029 39.981 1.00 0.00 WAT +ATOM 60259 H2 TIP3 17983 37.053 16.655 39.652 1.00 0.00 WAT +ATOM 60260 OH2 TIP3 17984 34.361 19.861 40.993 1.00 0.00 WAT +ATOM 60261 H1 TIP3 17984 34.758 19.195 41.559 1.00 0.00 WAT +ATOM 60262 H2 TIP3 17984 34.330 19.394 40.139 1.00 0.00 WAT +ATOM 60263 OH2 TIP3 17985 39.437 21.244 40.533 1.00 0.00 WAT +ATOM 60264 H1 TIP3 17985 40.148 20.630 40.810 1.00 0.00 WAT +ATOM 60265 H2 TIP3 17985 38.941 20.665 39.925 1.00 0.00 WAT +ATOM 60266 OH2 TIP3 17986 36.641 18.090 43.002 1.00 0.00 WAT +ATOM 60267 H1 TIP3 17986 36.460 19.015 42.802 1.00 0.00 WAT +ATOM 60268 H2 TIP3 17986 36.563 17.645 42.139 1.00 0.00 WAT +ATOM 60269 OH2 TIP3 17987 33.481 25.453 36.262 1.00 0.00 WAT +ATOM 60270 H1 TIP3 17987 33.253 25.963 35.471 1.00 0.00 WAT +ATOM 60271 H2 TIP3 17987 33.642 26.144 36.941 1.00 0.00 WAT +ATOM 60272 OH2 TIP3 17988 40.354 13.535 41.757 1.00 0.00 WAT +ATOM 60273 H1 TIP3 17988 40.250 12.573 41.816 1.00 0.00 WAT +ATOM 60274 H2 TIP3 17988 39.539 13.845 42.199 1.00 0.00 WAT +ATOM 60275 OH2 TIP3 17989 42.660 22.303 36.309 1.00 0.00 WAT +ATOM 60276 H1 TIP3 17989 41.978 22.984 36.168 1.00 0.00 WAT +ATOM 60277 H2 TIP3 17989 43.302 22.545 35.642 1.00 0.00 WAT +ATOM 60278 OH2 TIP3 17990 42.910 20.781 33.506 1.00 0.00 WAT +ATOM 60279 H1 TIP3 17990 43.663 20.717 34.113 1.00 0.00 WAT +ATOM 60280 H2 TIP3 17990 42.949 19.970 32.993 1.00 0.00 WAT +ATOM 60281 OH2 TIP3 17991 37.583 23.207 39.269 1.00 0.00 WAT +ATOM 60282 H1 TIP3 17991 37.237 22.767 38.469 1.00 0.00 WAT +ATOM 60283 H2 TIP3 17991 38.197 22.543 39.622 1.00 0.00 WAT +ATOM 60284 OH2 TIP3 17992 38.550 26.317 41.548 1.00 0.00 WAT +ATOM 60285 H1 TIP3 17992 38.927 25.923 40.753 1.00 0.00 WAT +ATOM 60286 H2 TIP3 17992 39.322 26.434 42.127 1.00 0.00 WAT +ATOM 60287 OH2 TIP3 17993 37.903 21.855 42.811 1.00 0.00 WAT +ATOM 60288 H1 TIP3 17993 38.494 21.963 42.043 1.00 0.00 WAT +ATOM 60289 H2 TIP3 17993 38.150 22.591 43.387 1.00 0.00 WAT +ATOM 60290 OH2 TIP3 17994 42.487 28.424 38.463 1.00 0.00 WAT +ATOM 60291 H1 TIP3 17994 42.998 28.866 39.165 1.00 0.00 WAT +ATOM 60292 H2 TIP3 17994 41.997 29.156 38.077 1.00 0.00 WAT +ATOM 60293 OH2 TIP3 17995 36.507 21.934 36.803 1.00 0.00 WAT +ATOM 60294 H1 TIP3 17995 36.291 22.687 36.227 1.00 0.00 WAT +ATOM 60295 H2 TIP3 17995 35.839 21.286 36.541 1.00 0.00 WAT +ATOM 60296 OH2 TIP3 17996 32.695 27.390 42.324 1.00 0.00 WAT +ATOM 60297 H1 TIP3 17996 33.652 27.306 42.449 1.00 0.00 WAT +ATOM 60298 H2 TIP3 17996 32.485 28.149 42.883 1.00 0.00 WAT +ATOM 60299 OH2 TIP3 17997 41.664 31.279 36.839 1.00 0.00 WAT +ATOM 60300 H1 TIP3 17997 42.172 31.242 36.019 1.00 0.00 WAT +ATOM 60301 H2 TIP3 17997 42.061 32.021 37.318 1.00 0.00 WAT +ATOM 60302 OH2 TIP3 17998 35.729 30.310 38.630 1.00 0.00 WAT +ATOM 60303 H1 TIP3 17998 35.917 29.875 39.488 1.00 0.00 WAT +ATOM 60304 H2 TIP3 17998 34.882 29.908 38.400 1.00 0.00 WAT +ATOM 60305 OH2 TIP3 17999 37.904 14.443 42.901 1.00 0.00 WAT +ATOM 60306 H1 TIP3 17999 37.056 14.345 42.430 1.00 0.00 WAT +ATOM 60307 H2 TIP3 17999 37.943 15.399 43.085 1.00 0.00 WAT +ATOM 60308 OH2 TIP3 18000 42.330 16.783 33.487 1.00 0.00 WAT +ATOM 60309 H1 TIP3 18000 41.727 16.637 34.230 1.00 0.00 WAT +ATOM 60310 H2 TIP3 18000 42.005 16.114 32.866 1.00 0.00 WAT +ATOM 60311 OH2 TIP3 18001 37.768 19.515 38.839 1.00 0.00 WAT +ATOM 60312 H1 TIP3 18001 36.807 19.424 38.691 1.00 0.00 WAT +ATOM 60313 H2 TIP3 18001 38.099 19.295 37.948 1.00 0.00 WAT +ATOM 60314 OH2 TIP3 18002 42.791 19.988 38.335 1.00 0.00 WAT +ATOM 60315 H1 TIP3 18002 42.706 20.932 38.112 1.00 0.00 WAT +ATOM 60316 H2 TIP3 18002 43.707 19.920 38.637 1.00 0.00 WAT +ATOM 60317 OH2 TIP3 18003 38.646 17.171 32.346 1.00 0.00 WAT +ATOM 60318 H1 TIP3 18003 38.233 16.835 33.166 1.00 0.00 WAT +ATOM 60319 H2 TIP3 18003 37.874 17.363 31.798 1.00 0.00 WAT +ATOM 60320 OH2 TIP3 18004 32.100 17.192 39.389 1.00 0.00 WAT +ATOM 60321 H1 TIP3 18004 32.569 16.988 40.216 1.00 0.00 WAT +ATOM 60322 H2 TIP3 18004 32.508 16.609 38.732 1.00 0.00 WAT +ATOM 60323 OH2 TIP3 18005 33.602 17.475 35.124 1.00 0.00 WAT +ATOM 60324 H1 TIP3 18005 34.134 17.972 34.471 1.00 0.00 WAT +ATOM 60325 H2 TIP3 18005 32.898 18.121 35.320 1.00 0.00 WAT +ATOM 60326 OH2 TIP3 18006 40.447 16.965 39.856 1.00 0.00 WAT +ATOM 60327 H1 TIP3 18006 39.503 16.972 40.089 1.00 0.00 WAT +ATOM 60328 H2 TIP3 18006 40.855 16.984 40.733 1.00 0.00 WAT +ATOM 60329 OH2 TIP3 18007 35.114 18.336 38.517 1.00 0.00 WAT +ATOM 60330 H1 TIP3 18007 34.259 18.587 38.120 1.00 0.00 WAT +ATOM 60331 H2 TIP3 18007 35.352 17.529 38.026 1.00 0.00 WAT +ATOM 60332 OH2 TIP3 18008 38.744 18.603 36.176 1.00 0.00 WAT +ATOM 60333 H1 TIP3 18008 39.692 18.796 36.239 1.00 0.00 WAT +ATOM 60334 H2 TIP3 18008 38.426 19.217 35.489 1.00 0.00 WAT +ATOM 60335 OH2 TIP3 18009 37.229 19.880 33.982 1.00 0.00 WAT +ATOM 60336 H1 TIP3 18009 36.606 19.634 33.278 1.00 0.00 WAT +ATOM 60337 H2 TIP3 18009 38.035 20.042 33.464 1.00 0.00 WAT +ATOM 60338 OH2 TIP3 18010 41.307 19.437 41.520 1.00 0.00 WAT +ATOM 60339 H1 TIP3 18010 41.975 19.005 40.967 1.00 0.00 WAT +ATOM 60340 H2 TIP3 18010 41.503 19.062 42.395 1.00 0.00 WAT +ATOM 60341 OH2 TIP3 18011 36.851 16.039 37.844 1.00 0.00 WAT +ATOM 60342 H1 TIP3 18011 36.258 15.284 38.001 1.00 0.00 WAT +ATOM 60343 H2 TIP3 18011 37.634 15.615 37.473 1.00 0.00 WAT +ATOM 60344 OH2 TIP3 18012 40.689 24.371 35.851 1.00 0.00 WAT +ATOM 60345 H1 TIP3 18012 39.927 23.871 35.488 1.00 0.00 WAT +ATOM 60346 H2 TIP3 18012 40.472 24.437 36.808 1.00 0.00 WAT +ATOM 60347 OH2 TIP3 18013 35.633 23.553 41.733 1.00 0.00 WAT +ATOM 60348 H1 TIP3 18013 36.245 23.688 40.993 1.00 0.00 WAT +ATOM 60349 H2 TIP3 18013 36.086 22.853 42.229 1.00 0.00 WAT +ATOM 60350 OH2 TIP3 18014 42.871 25.741 34.825 1.00 0.00 WAT +ATOM 60351 H1 TIP3 18014 42.625 26.637 35.132 1.00 0.00 WAT +ATOM 60352 H2 TIP3 18014 42.100 25.229 35.148 1.00 0.00 WAT +ATOM 60353 OH2 TIP3 18015 38.160 27.127 38.652 1.00 0.00 WAT +ATOM 60354 H1 TIP3 18015 38.584 27.988 38.764 1.00 0.00 WAT +ATOM 60355 H2 TIP3 18015 37.224 27.357 38.669 1.00 0.00 WAT +ATOM 60356 OH2 TIP3 18016 34.154 21.953 33.499 1.00 0.00 WAT +ATOM 60357 H1 TIP3 18016 34.729 22.622 33.914 1.00 0.00 WAT +ATOM 60358 H2 TIP3 18016 33.280 22.202 33.857 1.00 0.00 WAT +ATOM 60359 OH2 TIP3 18017 39.940 24.819 38.566 1.00 0.00 WAT +ATOM 60360 H1 TIP3 18017 39.651 25.746 38.601 1.00 0.00 WAT +ATOM 60361 H2 TIP3 18017 39.159 24.358 38.913 1.00 0.00 WAT +ATOM 60362 OH2 TIP3 18018 38.601 30.082 37.918 1.00 0.00 WAT +ATOM 60363 H1 TIP3 18018 37.664 30.182 38.153 1.00 0.00 WAT +ATOM 60364 H2 TIP3 18018 38.990 30.884 38.319 1.00 0.00 WAT +ATOM 60365 OH2 TIP3 18019 39.932 27.331 32.031 1.00 0.00 WAT +ATOM 60366 H1 TIP3 18019 40.225 26.715 31.331 1.00 0.00 WAT +ATOM 60367 H2 TIP3 18019 39.600 26.705 32.691 1.00 0.00 WAT +ATOM 60368 OH2 TIP3 18020 38.756 26.770 34.838 1.00 0.00 WAT +ATOM 60369 H1 TIP3 18020 39.301 26.175 35.373 1.00 0.00 WAT +ATOM 60370 H2 TIP3 18020 39.115 27.637 35.068 1.00 0.00 WAT +ATOM 60371 OH2 TIP3 18021 35.649 24.144 35.040 1.00 0.00 WAT +ATOM 60372 H1 TIP3 18021 34.943 24.546 35.586 1.00 0.00 WAT +ATOM 60373 H2 TIP3 18021 36.153 24.929 34.773 1.00 0.00 WAT +ATOM 60374 OH2 TIP3 18022 41.701 28.317 35.214 1.00 0.00 WAT +ATOM 60375 H1 TIP3 18022 41.006 28.937 35.454 1.00 0.00 WAT +ATOM 60376 H2 TIP3 18022 42.120 28.743 34.453 1.00 0.00 WAT +ATOM 60377 OH2 TIP3 18023 41.412 17.947 37.259 1.00 0.00 WAT +ATOM 60378 H1 TIP3 18023 42.018 18.654 37.579 1.00 0.00 WAT +ATOM 60379 H2 TIP3 18023 41.006 17.721 38.115 1.00 0.00 WAT +ATOM 60380 OH2 TIP3 18024 41.909 15.045 38.437 1.00 0.00 WAT +ATOM 60381 H1 TIP3 18024 41.654 15.825 38.977 1.00 0.00 WAT +ATOM 60382 H2 TIP3 18024 42.710 15.377 37.993 1.00 0.00 WAT +ATOM 60383 OH2 TIP3 18025 38.901 29.890 35.133 1.00 0.00 WAT +ATOM 60384 H1 TIP3 18025 39.650 30.481 35.067 1.00 0.00 WAT +ATOM 60385 H2 TIP3 18025 38.743 29.886 36.103 1.00 0.00 WAT +ATOM 60386 OH2 TIP3 18026 37.687 16.097 34.716 1.00 0.00 WAT +ATOM 60387 H1 TIP3 18026 37.680 16.846 35.338 1.00 0.00 WAT +ATOM 60388 H2 TIP3 18026 38.491 15.620 34.983 1.00 0.00 WAT +ATOM 60389 OH2 TIP3 18027 36.112 27.009 33.785 1.00 0.00 WAT +ATOM 60390 H1 TIP3 18027 36.890 27.361 34.257 1.00 0.00 WAT +ATOM 60391 H2 TIP3 18027 36.570 26.465 33.123 1.00 0.00 WAT +ATOM 60392 OH2 TIP3 18028 34.243 19.154 32.929 1.00 0.00 WAT +ATOM 60393 H1 TIP3 18028 34.350 20.096 33.157 1.00 0.00 WAT +ATOM 60394 H2 TIP3 18028 33.364 19.142 32.532 1.00 0.00 WAT +ATOM 60395 OH2 TIP3 18029 35.159 14.134 41.704 1.00 0.00 WAT +ATOM 60396 H1 TIP3 18029 34.976 14.189 40.744 1.00 0.00 WAT +ATOM 60397 H2 TIP3 18029 34.733 13.302 41.952 1.00 0.00 WAT +ATOM 60398 OH2 TIP3 18030 34.007 27.653 37.946 1.00 0.00 WAT +ATOM 60399 H1 TIP3 18030 33.284 28.216 38.254 1.00 0.00 WAT +ATOM 60400 H2 TIP3 18030 34.444 28.209 37.285 1.00 0.00 WAT +ATOM 60401 OH2 TIP3 18031 42.278 28.867 32.424 1.00 0.00 WAT +ATOM 60402 H1 TIP3 18031 41.466 28.339 32.258 1.00 0.00 WAT +ATOM 60403 H2 TIP3 18031 42.934 28.207 32.139 1.00 0.00 WAT +ATOM 60404 OH2 TIP3 18032 37.575 24.712 32.336 1.00 0.00 WAT +ATOM 60405 H1 TIP3 18032 37.776 24.046 33.013 1.00 0.00 WAT +ATOM 60406 H2 TIP3 18032 38.384 24.652 31.778 1.00 0.00 WAT +ATOM 60407 OH2 TIP3 18033 42.608 26.001 31.884 1.00 0.00 WAT +ATOM 60408 H1 TIP3 18033 42.757 26.010 32.845 1.00 0.00 WAT +ATOM 60409 H2 TIP3 18033 42.419 25.063 31.721 1.00 0.00 WAT +ATOM 60410 OH2 TIP3 18034 38.717 22.693 34.622 1.00 0.00 WAT +ATOM 60411 H1 TIP3 18034 38.082 22.185 35.149 1.00 0.00 WAT +ATOM 60412 H2 TIP3 18034 39.015 22.020 33.979 1.00 0.00 WAT +ATOM 60413 OH2 TIP3 18035 39.790 20.697 32.884 1.00 0.00 WAT +ATOM 60414 H1 TIP3 18035 39.692 20.795 31.915 1.00 0.00 WAT +ATOM 60415 H2 TIP3 18035 40.736 20.878 32.993 1.00 0.00 WAT +ATOM 60416 OH2 TIP3 18036 33.330 26.406 33.446 1.00 0.00 WAT +ATOM 60417 H1 TIP3 18036 34.284 26.542 33.633 1.00 0.00 WAT +ATOM 60418 H2 TIP3 18036 33.341 25.570 32.933 1.00 0.00 WAT +ATOM 60419 OH2 TIP3 18037 32.381 31.440 38.101 1.00 0.00 WAT +ATOM 60420 H1 TIP3 18037 31.510 31.185 37.748 1.00 0.00 WAT +ATOM 60421 H2 TIP3 18037 32.441 30.867 38.893 1.00 0.00 WAT +ATOM 60422 OH2 TIP3 18038 32.739 29.551 40.183 1.00 0.00 WAT +ATOM 60423 H1 TIP3 18038 32.478 28.668 40.494 1.00 0.00 WAT +ATOM 60424 H2 TIP3 18038 33.014 29.923 41.043 1.00 0.00 WAT +ATOM 60425 OH2 TIP3 18039 32.797 22.569 42.621 1.00 0.00 WAT +ATOM 60426 H1 TIP3 18039 33.162 22.865 41.771 1.00 0.00 WAT +ATOM 60427 H2 TIP3 18039 33.589 22.556 43.186 1.00 0.00 WAT +ATOM 60428 OH2 TIP3 18040 33.551 16.745 41.927 1.00 0.00 WAT +ATOM 60429 H1 TIP3 18040 33.808 15.816 42.041 1.00 0.00 WAT +ATOM 60430 H2 TIP3 18040 34.122 17.167 42.577 1.00 0.00 WAT +ATOM 60431 OH2 TIP3 18041 31.966 19.591 43.038 1.00 0.00 WAT +ATOM 60432 H1 TIP3 18041 32.354 19.222 42.230 1.00 0.00 WAT +ATOM 60433 H2 TIP3 18041 32.232 20.528 42.968 1.00 0.00 WAT +ATOM 60434 OH2 TIP3 18042 32.510 15.614 36.936 1.00 0.00 WAT +ATOM 60435 H1 TIP3 18042 31.557 15.651 36.739 1.00 0.00 WAT +ATOM 60436 H2 TIP3 18042 32.896 16.227 36.280 1.00 0.00 WAT +ATOM 60437 OH2 TIP3 18043 34.175 29.937 42.609 1.00 0.00 WAT +ATOM 60438 H1 TIP3 18043 34.510 29.980 43.533 1.00 0.00 WAT +ATOM 60439 H2 TIP3 18043 35.018 29.738 42.153 1.00 0.00 WAT +ATOM 60440 OH2 TIP3 18044 36.396 29.041 41.118 1.00 0.00 WAT +ATOM 60441 H1 TIP3 18044 36.267 28.119 41.419 1.00 0.00 WAT +ATOM 60442 H2 TIP3 18044 37.290 29.232 41.479 1.00 0.00 WAT +ATOM 60443 OH2 TIP3 18045 38.999 29.503 42.126 1.00 0.00 WAT +ATOM 60444 H1 TIP3 18045 39.418 28.667 41.881 1.00 0.00 WAT +ATOM 60445 H2 TIP3 18045 39.211 29.540 43.068 1.00 0.00 WAT +ATOM 60446 OH2 TIP3 18046 42.679 15.211 41.334 1.00 0.00 WAT +ATOM 60447 H1 TIP3 18046 41.905 14.676 41.581 1.00 0.00 WAT +ATOM 60448 H2 TIP3 18046 42.979 14.756 40.542 1.00 0.00 WAT +ATOM 60449 OH2 TIP3 18047 34.818 14.168 38.861 1.00 0.00 WAT +ATOM 60450 H1 TIP3 18047 33.945 14.034 38.437 1.00 0.00 WAT +ATOM 60451 H2 TIP3 18047 35.221 13.291 38.732 1.00 0.00 WAT +ATOM 60452 OH2 TIP3 18048 33.636 13.640 34.772 1.00 0.00 WAT +ATOM 60453 H1 TIP3 18048 34.113 14.317 34.258 1.00 0.00 WAT +ATOM 60454 H2 TIP3 18048 33.203 14.170 35.461 1.00 0.00 WAT +ATOM 60455 OH2 TIP3 18049 39.349 13.932 38.852 1.00 0.00 WAT +ATOM 60456 H1 TIP3 18049 40.259 14.267 38.744 1.00 0.00 WAT +ATOM 60457 H2 TIP3 18049 39.309 13.846 39.814 1.00 0.00 WAT +ATOM 60458 OH2 TIP3 18050 33.808 29.603 35.833 1.00 0.00 WAT +ATOM 60459 H1 TIP3 18050 33.105 29.470 35.192 1.00 0.00 WAT +ATOM 60460 H2 TIP3 18050 33.708 30.540 36.055 1.00 0.00 WAT +ATOM 60461 OH2 TIP3 18051 35.326 15.476 33.187 1.00 0.00 WAT +ATOM 60462 H1 TIP3 18051 35.940 14.911 32.688 1.00 0.00 WAT +ATOM 60463 H2 TIP3 18051 35.911 15.812 33.893 1.00 0.00 WAT +ATOM 60464 OH2 TIP3 18052 40.676 15.655 35.771 1.00 0.00 WAT +ATOM 60465 H1 TIP3 18052 40.676 15.057 36.533 1.00 0.00 WAT +ATOM 60466 H2 TIP3 18052 40.577 16.521 36.204 1.00 0.00 WAT +ATOM 60467 OH2 TIP3 18053 42.315 31.381 33.915 1.00 0.00 WAT +ATOM 60468 H1 TIP3 18053 43.225 31.734 33.907 1.00 0.00 WAT +ATOM 60469 H2 TIP3 18053 42.366 30.677 33.240 1.00 0.00 WAT +ATOM 60470 OH2 TIP3 18054 35.300 30.624 32.760 1.00 0.00 WAT +ATOM 60471 H1 TIP3 18054 35.008 30.772 33.670 1.00 0.00 WAT +ATOM 60472 H2 TIP3 18054 35.901 29.870 32.861 1.00 0.00 WAT +ATOM 60473 OH2 TIP3 18055 -31.621 41.925 38.950 1.00 0.00 WAT +ATOM 60474 H1 TIP3 18055 -31.800 42.862 39.143 1.00 0.00 WAT +ATOM 60475 H2 TIP3 18055 -32.389 41.676 38.418 1.00 0.00 WAT +ATOM 60476 OH2 TIP3 18056 -33.010 41.195 42.515 1.00 0.00 WAT +ATOM 60477 H1 TIP3 18056 -32.770 40.452 43.084 1.00 0.00 WAT +ATOM 60478 H2 TIP3 18056 -32.857 40.858 41.627 1.00 0.00 WAT +ATOM 60479 OH2 TIP3 18057 -42.162 39.045 36.645 1.00 0.00 WAT +ATOM 60480 H1 TIP3 18057 -42.447 39.901 36.986 1.00 0.00 WAT +ATOM 60481 H2 TIP3 18057 -43.004 38.583 36.556 1.00 0.00 WAT +ATOM 60482 OH2 TIP3 18058 -41.936 41.182 39.585 1.00 0.00 WAT +ATOM 60483 H1 TIP3 18058 -41.848 40.461 40.230 1.00 0.00 WAT +ATOM 60484 H2 TIP3 18058 -41.017 41.286 39.321 1.00 0.00 WAT +ATOM 60485 OH2 TIP3 18059 -31.186 38.169 43.225 1.00 0.00 WAT +ATOM 60486 H1 TIP3 18059 -30.746 37.324 43.419 1.00 0.00 WAT +ATOM 60487 H2 TIP3 18059 -31.109 38.228 42.255 1.00 0.00 WAT +ATOM 60488 OH2 TIP3 18060 -38.003 36.012 40.380 1.00 0.00 WAT +ATOM 60489 H1 TIP3 18060 -37.883 36.883 39.965 1.00 0.00 WAT +ATOM 60490 H2 TIP3 18060 -38.397 35.504 39.649 1.00 0.00 WAT +ATOM 60491 OH2 TIP3 18061 -30.173 36.227 38.645 1.00 0.00 WAT +ATOM 60492 H1 TIP3 18061 -29.648 35.833 39.385 1.00 0.00 WAT +ATOM 60493 H2 TIP3 18061 -29.466 36.683 38.168 1.00 0.00 WAT +ATOM 60494 OH2 TIP3 18062 -41.212 38.720 40.959 1.00 0.00 WAT +ATOM 60495 H1 TIP3 18062 -40.819 38.215 41.683 1.00 0.00 WAT +ATOM 60496 H2 TIP3 18062 -41.048 38.126 40.204 1.00 0.00 WAT +ATOM 60497 OH2 TIP3 18063 -36.007 40.128 40.584 1.00 0.00 WAT +ATOM 60498 H1 TIP3 18063 -35.283 39.536 40.862 1.00 0.00 WAT +ATOM 60499 H2 TIP3 18063 -36.497 39.553 39.966 1.00 0.00 WAT +ATOM 60500 OH2 TIP3 18064 -28.427 35.653 40.665 1.00 0.00 WAT +ATOM 60501 H1 TIP3 18064 -28.437 34.751 41.067 1.00 0.00 WAT +ATOM 60502 H2 TIP3 18064 -27.912 36.119 41.345 1.00 0.00 WAT +ATOM 60503 OH2 TIP3 18065 -38.626 37.107 42.963 1.00 0.00 WAT +ATOM 60504 H1 TIP3 18065 -39.091 37.928 42.780 1.00 0.00 WAT +ATOM 60505 H2 TIP3 18065 -38.932 36.505 42.262 1.00 0.00 WAT +ATOM 60506 OH2 TIP3 18066 -35.080 32.401 41.780 1.00 0.00 WAT +ATOM 60507 H1 TIP3 18066 -35.168 31.435 41.833 1.00 0.00 WAT +ATOM 60508 H2 TIP3 18066 -35.918 32.691 42.201 1.00 0.00 WAT +ATOM 60509 OH2 TIP3 18067 -33.088 41.436 36.365 1.00 0.00 WAT +ATOM 60510 H1 TIP3 18067 -33.722 41.799 35.734 1.00 0.00 WAT +ATOM 60511 H2 TIP3 18067 -32.305 41.333 35.797 1.00 0.00 WAT +ATOM 60512 OH2 TIP3 18068 -32.669 39.432 33.532 1.00 0.00 WAT +ATOM 60513 H1 TIP3 18068 -31.946 39.784 34.083 1.00 0.00 WAT +ATOM 60514 H2 TIP3 18068 -32.169 38.919 32.883 1.00 0.00 WAT +ATOM 60515 OH2 TIP3 18069 -29.366 41.411 37.377 1.00 0.00 WAT +ATOM 60516 H1 TIP3 18069 -30.026 41.622 38.070 1.00 0.00 WAT +ATOM 60517 H2 TIP3 18069 -28.707 40.904 37.886 1.00 0.00 WAT +ATOM 60518 OH2 TIP3 18070 -37.936 42.108 39.340 1.00 0.00 WAT +ATOM 60519 H1 TIP3 18070 -38.069 41.818 38.421 1.00 0.00 WAT +ATOM 60520 H2 TIP3 18070 -37.123 41.633 39.579 1.00 0.00 WAT +ATOM 60521 OH2 TIP3 18071 -37.658 41.036 42.814 1.00 0.00 WAT +ATOM 60522 H1 TIP3 18071 -36.965 40.798 42.171 1.00 0.00 WAT +ATOM 60523 H2 TIP3 18071 -37.151 41.360 43.569 1.00 0.00 WAT +ATOM 60524 OH2 TIP3 18072 -30.553 40.731 35.015 1.00 0.00 WAT +ATOM 60525 H1 TIP3 18072 -29.994 41.011 35.777 1.00 0.00 WAT +ATOM 60526 H2 TIP3 18072 -30.084 41.189 34.271 1.00 0.00 WAT +ATOM 60527 OH2 TIP3 18073 -27.057 32.463 34.430 1.00 0.00 WAT +ATOM 60528 H1 TIP3 18073 -27.928 32.562 34.860 1.00 0.00 WAT +ATOM 60529 H2 TIP3 18073 -26.700 33.363 34.502 1.00 0.00 WAT +ATOM 60530 OH2 TIP3 18074 -38.989 40.888 36.821 1.00 0.00 WAT +ATOM 60531 H1 TIP3 18074 -39.137 41.652 36.225 1.00 0.00 WAT +ATOM 60532 H2 TIP3 18074 -39.594 40.223 36.466 1.00 0.00 WAT +ATOM 60533 OH2 TIP3 18075 -37.472 33.304 42.843 1.00 0.00 WAT +ATOM 60534 H1 TIP3 18075 -38.341 33.076 42.458 1.00 0.00 WAT +ATOM 60535 H2 TIP3 18075 -37.644 34.207 43.154 1.00 0.00 WAT +ATOM 60536 OH2 TIP3 18076 -29.161 41.758 32.952 1.00 0.00 WAT +ATOM 60537 H1 TIP3 18076 -29.213 41.590 31.995 1.00 0.00 WAT +ATOM 60538 H2 TIP3 18076 -28.275 42.161 33.028 1.00 0.00 WAT +ATOM 60539 OH2 TIP3 18077 -33.286 35.569 33.447 1.00 0.00 WAT +ATOM 60540 H1 TIP3 18077 -33.783 35.461 34.272 1.00 0.00 WAT +ATOM 60541 H2 TIP3 18077 -33.709 34.890 32.894 1.00 0.00 WAT +ATOM 60542 OH2 TIP3 18078 -37.677 38.363 38.821 1.00 0.00 WAT +ATOM 60543 H1 TIP3 18078 -38.634 38.303 38.651 1.00 0.00 WAT +ATOM 60544 H2 TIP3 18078 -37.324 38.148 37.937 1.00 0.00 WAT +ATOM 60545 OH2 TIP3 18079 -32.065 38.977 37.639 1.00 0.00 WAT +ATOM 60546 H1 TIP3 18079 -32.514 39.748 37.247 1.00 0.00 WAT +ATOM 60547 H2 TIP3 18079 -31.387 38.782 36.971 1.00 0.00 WAT +ATOM 60548 OH2 TIP3 18080 -31.283 38.322 40.423 1.00 0.00 WAT +ATOM 60549 H1 TIP3 18080 -31.537 38.859 39.647 1.00 0.00 WAT +ATOM 60550 H2 TIP3 18080 -31.049 37.488 39.969 1.00 0.00 WAT +ATOM 60551 OH2 TIP3 18081 -36.851 35.980 32.358 1.00 0.00 WAT +ATOM 60552 H1 TIP3 18081 -37.230 35.647 33.195 1.00 0.00 WAT +ATOM 60553 H2 TIP3 18081 -37.639 36.210 31.851 1.00 0.00 WAT +ATOM 60554 OH2 TIP3 18082 -43.183 36.044 39.301 1.00 0.00 WAT +ATOM 60555 H1 TIP3 18082 -43.069 35.899 40.258 1.00 0.00 WAT +ATOM 60556 H2 TIP3 18082 -42.668 35.315 38.950 1.00 0.00 WAT +ATOM 60557 OH2 TIP3 18083 -42.117 36.418 35.185 1.00 0.00 WAT +ATOM 60558 H1 TIP3 18083 -41.481 36.735 34.516 1.00 0.00 WAT +ATOM 60559 H2 TIP3 18083 -42.830 37.048 35.053 1.00 0.00 WAT +ATOM 60560 OH2 TIP3 18084 -34.995 35.988 39.835 1.00 0.00 WAT +ATOM 60561 H1 TIP3 18084 -35.922 35.884 40.117 1.00 0.00 WAT +ATOM 60562 H2 TIP3 18084 -34.519 35.717 40.638 1.00 0.00 WAT +ATOM 60563 OH2 TIP3 18085 -40.404 37.215 38.474 1.00 0.00 WAT +ATOM 60564 H1 TIP3 18085 -41.142 37.359 37.863 1.00 0.00 WAT +ATOM 60565 H2 TIP3 18085 -40.026 36.379 38.140 1.00 0.00 WAT +ATOM 60566 OH2 TIP3 18086 -36.712 37.479 36.193 1.00 0.00 WAT +ATOM 60567 H1 TIP3 18086 -35.746 37.574 36.274 1.00 0.00 WAT +ATOM 60568 H2 TIP3 18086 -36.951 38.104 35.487 1.00 0.00 WAT +ATOM 60569 OH2 TIP3 18087 -30.571 34.602 42.822 1.00 0.00 WAT +ATOM 60570 H1 TIP3 18087 -30.931 34.947 43.651 1.00 0.00 WAT +ATOM 60571 H2 TIP3 18087 -31.305 34.678 42.198 1.00 0.00 WAT +ATOM 60572 OH2 TIP3 18088 -38.250 38.780 33.987 1.00 0.00 WAT +ATOM 60573 H1 TIP3 18088 -38.818 38.458 33.270 1.00 0.00 WAT +ATOM 60574 H2 TIP3 18088 -37.427 38.961 33.496 1.00 0.00 WAT +ATOM 60575 OH2 TIP3 18089 -34.035 38.333 41.890 1.00 0.00 WAT +ATOM 60576 H1 TIP3 18089 -33.284 38.035 41.354 1.00 0.00 WAT +ATOM 60577 H2 TIP3 18089 -33.992 37.716 42.635 1.00 0.00 WAT +ATOM 60578 OH2 TIP3 18090 -38.745 34.870 37.886 1.00 0.00 WAT +ATOM 60579 H1 TIP3 18090 -39.146 34.000 38.010 1.00 0.00 WAT +ATOM 60580 H2 TIP3 18090 -37.900 34.642 37.473 1.00 0.00 WAT +ATOM 60581 OH2 TIP3 18091 -35.230 43.657 36.051 1.00 0.00 WAT +ATOM 60582 H1 TIP3 18091 -35.596 42.981 35.451 1.00 0.00 WAT +ATOM 60583 H2 TIP3 18091 -34.688 43.172 36.679 1.00 0.00 WAT +ATOM 60584 OH2 TIP3 18092 -30.605 36.191 33.542 1.00 0.00 WAT +ATOM 60585 H1 TIP3 18092 -31.588 36.139 33.548 1.00 0.00 WAT +ATOM 60586 H2 TIP3 18092 -30.415 36.876 34.216 1.00 0.00 WAT +ATOM 60587 OH2 TIP3 18093 -29.934 37.963 35.634 1.00 0.00 WAT +ATOM 60588 H1 TIP3 18093 -29.070 37.806 36.064 1.00 0.00 WAT +ATOM 60589 H2 TIP3 18093 -29.822 38.854 35.259 1.00 0.00 WAT +ATOM 60590 OH2 TIP3 18094 -39.678 42.128 41.481 1.00 0.00 WAT +ATOM 60591 H1 TIP3 18094 -38.995 42.311 40.801 1.00 0.00 WAT +ATOM 60592 H2 TIP3 18094 -39.107 41.616 42.098 1.00 0.00 WAT +ATOM 60593 OH2 TIP3 18095 -25.343 37.962 35.370 1.00 0.00 WAT +ATOM 60594 H1 TIP3 18095 -25.913 37.791 34.594 1.00 0.00 WAT +ATOM 60595 H2 TIP3 18095 -25.219 38.923 35.255 1.00 0.00 WAT +ATOM 60596 OH2 TIP3 18096 -30.223 42.163 42.213 1.00 0.00 WAT +ATOM 60597 H1 TIP3 18096 -30.945 41.846 42.773 1.00 0.00 WAT +ATOM 60598 H2 TIP3 18096 -29.702 41.364 42.018 1.00 0.00 WAT +ATOM 60599 OH2 TIP3 18097 -41.659 40.932 33.705 1.00 0.00 WAT +ATOM 60600 H1 TIP3 18097 -40.877 41.434 33.988 1.00 0.00 WAT +ATOM 60601 H2 TIP3 18097 -42.316 41.646 33.709 1.00 0.00 WAT +ATOM 60602 OH2 TIP3 18098 -39.582 -43.912 35.249 1.00 0.00 WAT +ATOM 60603 H1 TIP3 18098 -40.506 -43.586 35.276 1.00 0.00 WAT +ATOM 60604 H2 TIP3 18098 -39.113 -43.098 35.014 1.00 0.00 WAT +ATOM 60605 OH2 TIP3 18099 -31.426 34.912 36.318 1.00 0.00 WAT +ATOM 60606 H1 TIP3 18099 -31.270 35.489 35.557 1.00 0.00 WAT +ATOM 60607 H2 TIP3 18099 -31.013 35.415 37.043 1.00 0.00 WAT +ATOM 60608 OH2 TIP3 18100 -34.052 36.944 37.267 1.00 0.00 WAT +ATOM 60609 H1 TIP3 18100 -33.276 37.508 37.452 1.00 0.00 WAT +ATOM 60610 H2 TIP3 18100 -34.356 36.725 38.171 1.00 0.00 WAT +ATOM 60611 OH2 TIP3 18101 -33.514 33.933 38.164 1.00 0.00 WAT +ATOM 60612 H1 TIP3 18101 -33.615 34.529 38.928 1.00 0.00 WAT +ATOM 60613 H2 TIP3 18101 -32.725 34.316 37.735 1.00 0.00 WAT +ATOM 60614 OH2 TIP3 18102 -37.737 34.955 34.787 1.00 0.00 WAT +ATOM 60615 H1 TIP3 18102 -37.672 35.748 35.347 1.00 0.00 WAT +ATOM 60616 H2 TIP3 18102 -36.925 34.476 35.051 1.00 0.00 WAT +ATOM 60617 OH2 TIP3 18103 -28.949 39.699 41.339 1.00 0.00 WAT +ATOM 60618 H1 TIP3 18103 -29.736 39.201 41.065 1.00 0.00 WAT +ATOM 60619 H2 TIP3 18103 -28.374 38.981 41.698 1.00 0.00 WAT +ATOM 60620 OH2 TIP3 18104 -41.175 37.971 32.979 1.00 0.00 WAT +ATOM 60621 H1 TIP3 18104 -41.054 38.908 33.187 1.00 0.00 WAT +ATOM 60622 H2 TIP3 18104 -41.987 37.943 32.467 1.00 0.00 WAT +ATOM 60623 OH2 TIP3 18105 -40.128 32.691 41.611 1.00 0.00 WAT +ATOM 60624 H1 TIP3 18105 -40.626 32.966 40.828 1.00 0.00 WAT +ATOM 60625 H2 TIP3 18105 -40.796 32.266 42.167 1.00 0.00 WAT +ATOM 60626 OH2 TIP3 18106 -36.594 41.605 34.587 1.00 0.00 WAT +ATOM 60627 H1 TIP3 18106 -37.275 41.200 35.137 1.00 0.00 WAT +ATOM 60628 H2 TIP3 18106 -36.459 40.927 33.897 1.00 0.00 WAT +ATOM 60629 OH2 TIP3 18107 -35.784 39.559 32.830 1.00 0.00 WAT +ATOM 60630 H1 TIP3 18107 -35.810 39.718 31.867 1.00 0.00 WAT +ATOM 60631 H2 TIP3 18107 -34.825 39.564 33.001 1.00 0.00 WAT +ATOM 60632 OH2 TIP3 18108 -26.476 41.891 32.057 1.00 0.00 WAT +ATOM 60633 H1 TIP3 18108 -26.583 41.847 31.094 1.00 0.00 WAT +ATOM 60634 H2 TIP3 18108 -26.460 42.850 32.248 1.00 0.00 WAT +ATOM 60635 OH2 TIP3 18109 -25.689 43.584 36.423 1.00 0.00 WAT +ATOM 60636 H1 TIP3 18109 -24.729 43.621 36.334 1.00 0.00 WAT +ATOM 60637 H2 TIP3 18109 -25.840 42.785 36.952 1.00 0.00 WAT +ATOM 60638 OH2 TIP3 18110 -25.283 41.320 38.118 1.00 0.00 WAT +ATOM 60639 H1 TIP3 18110 -26.078 40.910 38.511 1.00 0.00 WAT +ATOM 60640 H2 TIP3 18110 -24.733 41.507 38.903 1.00 0.00 WAT +ATOM 60641 OH2 TIP3 18111 -25.119 40.939 34.613 1.00 0.00 WAT +ATOM 60642 H1 TIP3 18111 -25.758 41.169 33.912 1.00 0.00 WAT +ATOM 60643 H2 TIP3 18111 -25.262 41.661 35.239 1.00 0.00 WAT +ATOM 60644 OH2 TIP3 18112 -26.857 38.427 32.952 1.00 0.00 WAT +ATOM 60645 H1 TIP3 18112 -26.663 39.069 32.255 1.00 0.00 WAT +ATOM 60646 H2 TIP3 18112 -27.094 37.623 32.451 1.00 0.00 WAT +ATOM 60647 OH2 TIP3 18113 -27.590 39.657 38.851 1.00 0.00 WAT +ATOM 60648 H1 TIP3 18113 -27.598 38.693 38.738 1.00 0.00 WAT +ATOM 60649 H2 TIP3 18113 -27.913 39.755 39.769 1.00 0.00 WAT +ATOM 60650 OH2 TIP3 18114 -42.353 41.709 42.802 1.00 0.00 WAT +ATOM 60651 H1 TIP3 18114 -42.196 41.880 41.864 1.00 0.00 WAT +ATOM 60652 H2 TIP3 18114 -41.458 41.516 43.111 1.00 0.00 WAT +ATOM 60653 OH2 TIP3 18115 -27.386 35.766 32.122 1.00 0.00 WAT +ATOM 60654 H1 TIP3 18115 -26.817 35.299 32.762 1.00 0.00 WAT +ATOM 60655 H2 TIP3 18115 -28.207 35.254 32.126 1.00 0.00 WAT +ATOM 60656 OH2 TIP3 18116 -27.585 37.070 37.088 1.00 0.00 WAT +ATOM 60657 H1 TIP3 18116 -27.350 36.122 37.172 1.00 0.00 WAT +ATOM 60658 H2 TIP3 18116 -26.767 37.420 36.694 1.00 0.00 WAT +ATOM 60659 OH2 TIP3 18117 -27.342 37.780 42.223 1.00 0.00 WAT +ATOM 60660 H1 TIP3 18117 -26.390 37.722 42.403 1.00 0.00 WAT +ATOM 60661 H2 TIP3 18117 -27.733 37.476 43.063 1.00 0.00 WAT +ATOM 60662 OH2 TIP3 18118 -27.113 34.262 37.064 1.00 0.00 WAT +ATOM 60663 H1 TIP3 18118 -27.026 33.960 37.987 1.00 0.00 WAT +ATOM 60664 H2 TIP3 18118 -27.923 33.788 36.784 1.00 0.00 WAT +ATOM 60665 OH2 TIP3 18119 -41.659 35.735 41.926 1.00 0.00 WAT +ATOM 60666 H1 TIP3 18119 -41.867 34.835 42.219 1.00 0.00 WAT +ATOM 60667 H2 TIP3 18119 -41.107 36.009 42.668 1.00 0.00 WAT +ATOM 60668 OH2 TIP3 18120 -43.520 38.251 43.150 1.00 0.00 WAT +ATOM 60669 H1 TIP3 18120 -43.057 37.833 42.413 1.00 0.00 WAT +ATOM 60670 H2 TIP3 18120 -43.081 39.108 43.215 1.00 0.00 WAT +ATOM 60671 OH2 TIP3 18121 -25.165 34.761 33.730 1.00 0.00 WAT +ATOM 60672 H1 TIP3 18121 -24.841 33.955 33.294 1.00 0.00 WAT +ATOM 60673 H2 TIP3 18121 -24.351 35.279 33.834 1.00 0.00 WAT +ATOM 60674 OH2 TIP3 18122 -43.116 34.249 36.427 1.00 0.00 WAT +ATOM 60675 H1 TIP3 18122 -43.968 34.682 36.292 1.00 0.00 WAT +ATOM 60676 H2 TIP3 18122 -42.521 34.967 36.109 1.00 0.00 WAT +ATOM 60677 OH2 TIP3 18123 -33.006 34.391 41.242 1.00 0.00 WAT +ATOM 60678 H1 TIP3 18123 -33.601 33.671 41.534 1.00 0.00 WAT +ATOM 60679 H2 TIP3 18123 -32.312 33.888 40.769 1.00 0.00 WAT +ATOM 60680 OH2 TIP3 18124 -28.057 33.129 41.471 1.00 0.00 WAT +ATOM 60681 H1 TIP3 18124 -27.220 32.682 41.304 1.00 0.00 WAT +ATOM 60682 H2 TIP3 18124 -28.744 32.494 41.251 1.00 0.00 WAT +ATOM 60683 OH2 TIP3 18125 -25.870 33.405 39.556 1.00 0.00 WAT +ATOM 60684 H1 TIP3 18125 -25.120 33.057 39.047 1.00 0.00 WAT +ATOM 60685 H2 TIP3 18125 -25.608 34.327 39.736 1.00 0.00 WAT +ATOM 60686 OH2 TIP3 18126 -41.119 32.913 38.805 1.00 0.00 WAT +ATOM 60687 H1 TIP3 18126 -41.796 32.488 38.270 1.00 0.00 WAT +ATOM 60688 H2 TIP3 18126 -40.435 32.222 38.829 1.00 0.00 WAT +ATOM 60689 OH2 TIP3 18127 -41.979 32.463 34.625 1.00 0.00 WAT +ATOM 60690 H1 TIP3 18127 -41.388 33.079 34.147 1.00 0.00 WAT +ATOM 60691 H2 TIP3 18127 -42.366 33.071 35.288 1.00 0.00 WAT +ATOM 60692 OH2 TIP3 18128 -36.120 32.765 38.903 1.00 0.00 WAT +ATOM 60693 H1 TIP3 18128 -35.235 33.128 38.737 1.00 0.00 WAT +ATOM 60694 H2 TIP3 18128 -36.116 32.701 39.870 1.00 0.00 WAT +ATOM 60695 OH2 TIP3 18129 -30.814 32.928 39.977 1.00 0.00 WAT +ATOM 60696 H1 TIP3 18129 -30.295 32.671 39.208 1.00 0.00 WAT +ATOM 60697 H2 TIP3 18129 -30.990 32.078 40.411 1.00 0.00 WAT +ATOM 60698 OH2 TIP3 18130 -29.438 32.869 36.140 1.00 0.00 WAT +ATOM 60699 H1 TIP3 18130 -30.252 33.405 36.054 1.00 0.00 WAT +ATOM 60700 H2 TIP3 18130 -29.814 31.987 36.307 1.00 0.00 WAT +ATOM 60701 OH2 TIP3 18131 -40.071 34.325 33.236 1.00 0.00 WAT +ATOM 60702 H1 TIP3 18131 -39.464 33.791 32.698 1.00 0.00 WAT +ATOM 60703 H2 TIP3 18131 -39.463 34.658 33.925 1.00 0.00 WAT +ATOM 60704 OH2 TIP3 18132 -35.002 34.500 35.829 1.00 0.00 WAT +ATOM 60705 H1 TIP3 18132 -34.625 33.948 36.536 1.00 0.00 WAT +ATOM 60706 H2 TIP3 18132 -34.804 35.377 36.194 1.00 0.00 WAT +ATOM 60707 OH2 TIP3 18133 -14.213 41.153 42.439 1.00 0.00 WAT +ATOM 60708 H1 TIP3 18133 -13.851 40.480 43.030 1.00 0.00 WAT +ATOM 60709 H2 TIP3 18133 -13.969 40.833 41.559 1.00 0.00 WAT +ATOM 60710 OH2 TIP3 18134 -23.750 38.877 37.761 1.00 0.00 WAT +ATOM 60711 H1 TIP3 18134 -24.209 39.729 37.875 1.00 0.00 WAT +ATOM 60712 H2 TIP3 18134 -24.465 38.314 37.445 1.00 0.00 WAT +ATOM 60713 OH2 TIP3 18135 -22.868 41.287 39.730 1.00 0.00 WAT +ATOM 60714 H1 TIP3 18135 -22.833 40.542 40.359 1.00 0.00 WAT +ATOM 60715 H2 TIP3 18135 -22.053 41.125 39.243 1.00 0.00 WAT +ATOM 60716 OH2 TIP3 18136 -12.522 38.122 42.987 1.00 0.00 WAT +ATOM 60717 H1 TIP3 18136 -11.960 37.381 43.272 1.00 0.00 WAT +ATOM 60718 H2 TIP3 18136 -12.212 38.308 42.084 1.00 0.00 WAT +ATOM 60719 OH2 TIP3 18137 -18.809 35.960 40.365 1.00 0.00 WAT +ATOM 60720 H1 TIP3 18137 -18.661 36.846 39.990 1.00 0.00 WAT +ATOM 60721 H2 TIP3 18137 -19.268 35.524 39.624 1.00 0.00 WAT +ATOM 60722 OH2 TIP3 18138 -11.303 35.928 38.505 1.00 0.00 WAT +ATOM 60723 H1 TIP3 18138 -10.818 35.788 39.344 1.00 0.00 WAT +ATOM 60724 H2 TIP3 18138 -11.128 36.869 38.364 1.00 0.00 WAT +ATOM 60725 OH2 TIP3 18139 -22.240 38.700 41.006 1.00 0.00 WAT +ATOM 60726 H1 TIP3 18139 -21.820 38.086 41.616 1.00 0.00 WAT +ATOM 60727 H2 TIP3 18139 -22.211 38.202 40.171 1.00 0.00 WAT +ATOM 60728 OH2 TIP3 18140 -17.168 40.124 40.635 1.00 0.00 WAT +ATOM 60729 H1 TIP3 18140 -16.379 39.579 40.814 1.00 0.00 WAT +ATOM 60730 H2 TIP3 18140 -17.633 39.576 39.977 1.00 0.00 WAT +ATOM 60731 OH2 TIP3 18141 -9.577 35.507 40.731 1.00 0.00 WAT +ATOM 60732 H1 TIP3 18141 -9.570 34.714 41.294 1.00 0.00 WAT +ATOM 60733 H2 TIP3 18141 -9.054 36.112 41.295 1.00 0.00 WAT +ATOM 60734 OH2 TIP3 18142 -20.014 36.874 42.820 1.00 0.00 WAT +ATOM 60735 H1 TIP3 18142 -20.011 37.828 42.685 1.00 0.00 WAT +ATOM 60736 H2 TIP3 18142 -19.915 36.508 41.922 1.00 0.00 WAT +ATOM 60737 OH2 TIP3 18143 -16.226 32.538 41.472 1.00 0.00 WAT +ATOM 60738 H1 TIP3 18143 -16.042 31.618 41.727 1.00 0.00 WAT +ATOM 60739 H2 TIP3 18143 -16.947 32.759 42.102 1.00 0.00 WAT +ATOM 60740 OH2 TIP3 18144 -14.446 40.953 35.963 1.00 0.00 WAT +ATOM 60741 H1 TIP3 18144 -14.825 41.858 35.966 1.00 0.00 WAT +ATOM 60742 H2 TIP3 18144 -13.516 41.111 36.145 1.00 0.00 WAT +ATOM 60743 OH2 TIP3 18145 -13.711 39.436 33.282 1.00 0.00 WAT +ATOM 60744 H1 TIP3 18145 -13.423 39.824 34.135 1.00 0.00 WAT +ATOM 60745 H2 TIP3 18145 -12.877 39.098 32.970 1.00 0.00 WAT +ATOM 60746 OH2 TIP3 18146 -10.599 41.561 37.405 1.00 0.00 WAT +ATOM 60747 H1 TIP3 18146 -11.233 41.719 38.116 1.00 0.00 WAT +ATOM 60748 H2 TIP3 18146 -9.939 41.017 37.869 1.00 0.00 WAT +ATOM 60749 OH2 TIP3 18147 -19.144 42.069 39.363 1.00 0.00 WAT +ATOM 60750 H1 TIP3 18147 -19.223 41.803 38.431 1.00 0.00 WAT +ATOM 60751 H2 TIP3 18147 -18.268 41.719 39.594 1.00 0.00 WAT +ATOM 60752 OH2 TIP3 18148 -18.775 40.846 42.858 1.00 0.00 WAT +ATOM 60753 H1 TIP3 18148 -18.114 40.808 42.139 1.00 0.00 WAT +ATOM 60754 H2 TIP3 18148 -18.375 41.451 43.496 1.00 0.00 WAT +ATOM 60755 OH2 TIP3 18149 -11.503 40.505 35.031 1.00 0.00 WAT +ATOM 60756 H1 TIP3 18149 -11.099 40.882 35.845 1.00 0.00 WAT +ATOM 60757 H2 TIP3 18149 -11.093 41.080 34.345 1.00 0.00 WAT +ATOM 60758 OH2 TIP3 18150 -8.215 32.476 34.427 1.00 0.00 WAT +ATOM 60759 H1 TIP3 18150 -9.063 32.578 34.898 1.00 0.00 WAT +ATOM 60760 H2 TIP3 18150 -7.838 33.368 34.503 1.00 0.00 WAT +ATOM 60761 OH2 TIP3 18151 -20.088 40.878 36.780 1.00 0.00 WAT +ATOM 60762 H1 TIP3 18151 -20.263 41.669 36.228 1.00 0.00 WAT +ATOM 60763 H2 TIP3 18151 -20.760 40.258 36.475 1.00 0.00 WAT +ATOM 60764 OH2 TIP3 18152 -18.597 33.297 42.856 1.00 0.00 WAT +ATOM 60765 H1 TIP3 18152 -19.474 33.190 42.450 1.00 0.00 WAT +ATOM 60766 H2 TIP3 18152 -18.579 34.243 43.097 1.00 0.00 WAT +ATOM 60767 OH2 TIP3 18153 -10.347 41.816 32.931 1.00 0.00 WAT +ATOM 60768 H1 TIP3 18153 -10.267 41.521 32.011 1.00 0.00 WAT +ATOM 60769 H2 TIP3 18153 -9.468 42.213 33.092 1.00 0.00 WAT +ATOM 60770 OH2 TIP3 18154 -14.275 35.556 33.326 1.00 0.00 WAT +ATOM 60771 H1 TIP3 18154 -14.627 35.567 34.228 1.00 0.00 WAT +ATOM 60772 H2 TIP3 18154 -14.777 34.812 32.938 1.00 0.00 WAT +ATOM 60773 OH2 TIP3 18155 -18.787 38.362 38.829 1.00 0.00 WAT +ATOM 60774 H1 TIP3 18155 -19.750 38.274 38.698 1.00 0.00 WAT +ATOM 60775 H2 TIP3 18155 -18.466 38.203 37.926 1.00 0.00 WAT +ATOM 60776 OH2 TIP3 18156 -17.866 36.003 32.337 1.00 0.00 WAT +ATOM 60777 H1 TIP3 18156 -18.292 35.686 33.156 1.00 0.00 WAT +ATOM 60778 H2 TIP3 18156 -18.628 36.231 31.788 1.00 0.00 WAT +ATOM 60779 OH2 TIP3 18157 -24.511 35.986 39.407 1.00 0.00 WAT +ATOM 60780 H1 TIP3 18157 -23.982 35.892 40.220 1.00 0.00 WAT +ATOM 60781 H2 TIP3 18157 -24.014 35.486 38.745 1.00 0.00 WAT +ATOM 60782 OH2 TIP3 18158 -22.976 36.332 35.132 1.00 0.00 WAT +ATOM 60783 H1 TIP3 18158 -22.438 36.822 34.477 1.00 0.00 WAT +ATOM 60784 H2 TIP3 18158 -23.674 36.985 35.320 1.00 0.00 WAT +ATOM 60785 OH2 TIP3 18159 -21.469 37.160 38.565 1.00 0.00 WAT +ATOM 60786 H1 TIP3 18159 -22.290 37.451 38.130 1.00 0.00 WAT +ATOM 60787 H2 TIP3 18159 -21.213 36.371 38.059 1.00 0.00 WAT +ATOM 60788 OH2 TIP3 18160 -17.718 37.454 36.166 1.00 0.00 WAT +ATOM 60789 H1 TIP3 18160 -16.799 37.734 36.294 1.00 0.00 WAT +ATOM 60790 H2 TIP3 18160 -18.057 38.086 35.509 1.00 0.00 WAT +ATOM 60791 OH2 TIP3 18161 -12.181 34.362 42.769 1.00 0.00 WAT +ATOM 60792 H1 TIP3 18161 -12.198 34.974 43.522 1.00 0.00 WAT +ATOM 60793 H2 TIP3 18161 -12.340 34.920 42.008 1.00 0.00 WAT +ATOM 60794 OH2 TIP3 18162 -19.387 38.680 33.999 1.00 0.00 WAT +ATOM 60795 H1 TIP3 18162 -19.952 38.453 33.244 1.00 0.00 WAT +ATOM 60796 H2 TIP3 18162 -18.574 38.963 33.545 1.00 0.00 WAT +ATOM 60797 OH2 TIP3 18163 -15.218 38.105 41.619 1.00 0.00 WAT +ATOM 60798 H1 TIP3 18163 -14.362 38.195 41.151 1.00 0.00 WAT +ATOM 60799 H2 TIP3 18163 -14.941 37.780 42.486 1.00 0.00 WAT +ATOM 60800 OH2 TIP3 18164 -19.654 34.836 37.892 1.00 0.00 WAT +ATOM 60801 H1 TIP3 18164 -20.325 34.134 37.974 1.00 0.00 WAT +ATOM 60802 H2 TIP3 18164 -19.126 34.554 37.135 1.00 0.00 WAT +ATOM 60803 OH2 TIP3 18165 -15.869 43.273 35.930 1.00 0.00 WAT +ATOM 60804 H1 TIP3 18165 -16.620 42.923 35.414 1.00 0.00 WAT +ATOM 60805 H2 TIP3 18165 -16.246 43.384 36.814 1.00 0.00 WAT +ATOM 60806 OH2 TIP3 18166 -11.297 37.606 35.142 1.00 0.00 WAT +ATOM 60807 H1 TIP3 18166 -10.567 37.473 35.773 1.00 0.00 WAT +ATOM 60808 H2 TIP3 18166 -11.363 38.581 35.151 1.00 0.00 WAT +ATOM 60809 OH2 TIP3 18167 -20.648 42.361 41.635 1.00 0.00 WAT +ATOM 60810 H1 TIP3 18167 -20.033 42.376 40.870 1.00 0.00 WAT +ATOM 60811 H2 TIP3 18167 -20.252 41.626 42.142 1.00 0.00 WAT +ATOM 60812 OH2 TIP3 18168 -6.469 37.963 35.385 1.00 0.00 WAT +ATOM 60813 H1 TIP3 18168 -7.053 37.791 34.618 1.00 0.00 WAT +ATOM 60814 H2 TIP3 18168 -6.354 38.924 35.270 1.00 0.00 WAT +ATOM 60815 OH2 TIP3 18169 -11.218 41.913 42.441 1.00 0.00 WAT +ATOM 60816 H1 TIP3 18169 -12.086 41.680 42.778 1.00 0.00 WAT +ATOM 60817 H2 TIP3 18169 -10.874 41.096 42.025 1.00 0.00 WAT +ATOM 60818 OH2 TIP3 18170 -22.485 40.946 33.422 1.00 0.00 WAT +ATOM 60819 H1 TIP3 18170 -21.893 41.545 33.904 1.00 0.00 WAT +ATOM 60820 H2 TIP3 18170 -23.335 41.109 33.883 1.00 0.00 WAT +ATOM 60821 OH2 TIP3 18171 -20.720 -43.858 35.288 1.00 0.00 WAT +ATOM 60822 H1 TIP3 18171 -21.627 -43.514 35.418 1.00 0.00 WAT +ATOM 60823 H2 TIP3 18171 -20.256 -43.050 35.026 1.00 0.00 WAT +ATOM 60824 OH2 TIP3 18172 -12.573 34.961 36.129 1.00 0.00 WAT +ATOM 60825 H1 TIP3 18172 -12.410 35.766 35.611 1.00 0.00 WAT +ATOM 60826 H2 TIP3 18172 -12.289 35.276 37.014 1.00 0.00 WAT +ATOM 60827 OH2 TIP3 18173 -14.969 36.976 37.613 1.00 0.00 WAT +ATOM 60828 H1 TIP3 18173 -14.187 37.557 37.576 1.00 0.00 WAT +ATOM 60829 H2 TIP3 18173 -15.301 37.244 38.476 1.00 0.00 WAT +ATOM 60830 OH2 TIP3 18174 -18.850 34.964 34.780 1.00 0.00 WAT +ATOM 60831 H1 TIP3 18174 -18.781 35.787 35.295 1.00 0.00 WAT +ATOM 60832 H2 TIP3 18174 -17.996 34.538 35.005 1.00 0.00 WAT +ATOM 60833 OH2 TIP3 18175 -10.229 39.579 41.318 1.00 0.00 WAT +ATOM 60834 H1 TIP3 18175 -10.939 39.220 40.743 1.00 0.00 WAT +ATOM 60835 H2 TIP3 18175 -9.695 38.793 41.568 1.00 0.00 WAT +ATOM 60836 OH2 TIP3 18176 -22.347 38.002 32.942 1.00 0.00 WAT +ATOM 60837 H1 TIP3 18176 -22.210 38.945 33.128 1.00 0.00 WAT +ATOM 60838 H2 TIP3 18176 -23.206 38.004 32.504 1.00 0.00 WAT +ATOM 60839 OH2 TIP3 18177 -21.412 32.994 41.708 1.00 0.00 WAT +ATOM 60840 H1 TIP3 18177 -21.609 33.028 40.752 1.00 0.00 WAT +ATOM 60841 H2 TIP3 18177 -21.792 32.149 41.980 1.00 0.00 WAT +ATOM 60842 OH2 TIP3 18178 -17.887 41.678 34.576 1.00 0.00 WAT +ATOM 60843 H1 TIP3 18178 -18.401 41.165 35.212 1.00 0.00 WAT +ATOM 60844 H2 TIP3 18178 -17.569 40.993 33.963 1.00 0.00 WAT +ATOM 60845 OH2 TIP3 18179 -16.886 39.554 32.882 1.00 0.00 WAT +ATOM 60846 H1 TIP3 18179 -16.902 39.691 31.917 1.00 0.00 WAT +ATOM 60847 H2 TIP3 18179 -15.935 39.642 33.070 1.00 0.00 WAT +ATOM 60848 OH2 TIP3 18180 -7.586 41.851 32.118 1.00 0.00 WAT +ATOM 60849 H1 TIP3 18180 -7.716 41.764 31.163 1.00 0.00 WAT +ATOM 60850 H2 TIP3 18180 -7.613 42.824 32.246 1.00 0.00 WAT +ATOM 60851 OH2 TIP3 18181 -6.748 43.488 36.322 1.00 0.00 WAT +ATOM 60852 H1 TIP3 18181 -5.798 43.561 36.454 1.00 0.00 WAT +ATOM 60853 H2 TIP3 18181 -7.003 42.799 36.956 1.00 0.00 WAT +ATOM 60854 OH2 TIP3 18182 -6.431 41.326 38.130 1.00 0.00 WAT +ATOM 60855 H1 TIP3 18182 -7.224 40.891 38.503 1.00 0.00 WAT +ATOM 60856 H2 TIP3 18182 -5.904 41.524 38.927 1.00 0.00 WAT +ATOM 60857 OH2 TIP3 18183 -6.238 40.965 34.614 1.00 0.00 WAT +ATOM 60858 H1 TIP3 18183 -6.873 41.174 33.901 1.00 0.00 WAT +ATOM 60859 H2 TIP3 18183 -6.440 41.670 35.249 1.00 0.00 WAT +ATOM 60860 OH2 TIP3 18184 -7.856 38.357 32.937 1.00 0.00 WAT +ATOM 60861 H1 TIP3 18184 -7.807 39.080 32.296 1.00 0.00 WAT +ATOM 60862 H2 TIP3 18184 -8.248 37.639 32.416 1.00 0.00 WAT +ATOM 60863 OH2 TIP3 18185 -8.678 39.650 38.851 1.00 0.00 WAT +ATOM 60864 H1 TIP3 18185 -8.869 38.717 38.663 1.00 0.00 WAT +ATOM 60865 H2 TIP3 18185 -9.102 39.772 39.721 1.00 0.00 WAT +ATOM 60866 OH2 TIP3 18186 -23.822 41.331 42.679 1.00 0.00 WAT +ATOM 60867 H1 TIP3 18186 -23.667 41.889 41.905 1.00 0.00 WAT +ATOM 60868 H2 TIP3 18186 -23.044 41.515 43.228 1.00 0.00 WAT +ATOM 60869 OH2 TIP3 18187 -8.587 35.614 32.007 1.00 0.00 WAT +ATOM 60870 H1 TIP3 18187 -7.977 35.291 32.697 1.00 0.00 WAT +ATOM 60871 H2 TIP3 18187 -9.433 35.223 32.247 1.00 0.00 WAT +ATOM 60872 OH2 TIP3 18188 -8.919 37.149 36.985 1.00 0.00 WAT +ATOM 60873 H1 TIP3 18188 -8.649 36.229 37.158 1.00 0.00 WAT +ATOM 60874 H2 TIP3 18188 -8.097 37.537 36.655 1.00 0.00 WAT +ATOM 60875 OH2 TIP3 18189 -8.536 37.694 42.188 1.00 0.00 WAT +ATOM 60876 H1 TIP3 18189 -7.583 37.793 42.348 1.00 0.00 WAT +ATOM 60877 H2 TIP3 18189 -8.899 37.667 43.090 1.00 0.00 WAT +ATOM 60878 OH2 TIP3 18190 -8.233 34.272 37.048 1.00 0.00 WAT +ATOM 60879 H1 TIP3 18190 -8.175 34.029 37.987 1.00 0.00 WAT +ATOM 60880 H2 TIP3 18190 -9.077 33.851 36.791 1.00 0.00 WAT +ATOM 60881 OH2 TIP3 18191 -22.986 35.611 41.918 1.00 0.00 WAT +ATOM 60882 H1 TIP3 18191 -22.739 34.683 42.058 1.00 0.00 WAT +ATOM 60883 H2 TIP3 18191 -22.431 36.034 42.586 1.00 0.00 WAT +ATOM 60884 OH2 TIP3 18192 -24.601 38.445 43.042 1.00 0.00 WAT +ATOM 60885 H1 TIP3 18192 -24.172 38.102 42.243 1.00 0.00 WAT +ATOM 60886 H2 TIP3 18192 -24.336 39.388 43.005 1.00 0.00 WAT +ATOM 60887 OH2 TIP3 18193 -6.338 34.787 33.685 1.00 0.00 WAT +ATOM 60888 H1 TIP3 18193 -5.993 33.970 33.287 1.00 0.00 WAT +ATOM 60889 H2 TIP3 18193 -5.523 35.290 33.854 1.00 0.00 WAT +ATOM 60890 OH2 TIP3 18194 -24.048 34.450 36.911 1.00 0.00 WAT +ATOM 60891 H1 TIP3 18194 -25.003 34.523 36.739 1.00 0.00 WAT +ATOM 60892 H2 TIP3 18194 -23.661 35.088 36.280 1.00 0.00 WAT +ATOM 60893 OH2 TIP3 18195 -9.263 32.781 41.533 1.00 0.00 WAT +ATOM 60894 H1 TIP3 18195 -8.435 32.929 41.045 1.00 0.00 WAT +ATOM 60895 H2 TIP3 18195 -9.911 32.597 40.851 1.00 0.00 WAT +ATOM 60896 OH2 TIP3 18196 -7.085 33.400 39.636 1.00 0.00 WAT +ATOM 60897 H1 TIP3 18196 -6.354 33.036 39.102 1.00 0.00 WAT +ATOM 60898 H2 TIP3 18196 -6.785 34.322 39.768 1.00 0.00 WAT +ATOM 60899 OH2 TIP3 18197 -21.750 33.009 38.824 1.00 0.00 WAT +ATOM 60900 H1 TIP3 18197 -22.626 32.864 38.414 1.00 0.00 WAT +ATOM 60901 H2 TIP3 18197 -21.358 32.121 38.746 1.00 0.00 WAT +ATOM 60902 OH2 TIP3 18198 -22.949 32.502 34.770 1.00 0.00 WAT +ATOM 60903 H1 TIP3 18198 -22.445 33.165 34.262 1.00 0.00 WAT +ATOM 60904 H2 TIP3 18198 -23.358 33.044 35.465 1.00 0.00 WAT +ATOM 60905 OH2 TIP3 18199 -12.278 32.981 39.846 1.00 0.00 WAT +ATOM 60906 H1 TIP3 18199 -11.470 32.881 39.332 1.00 0.00 WAT +ATOM 60907 H2 TIP3 18199 -12.167 32.343 40.568 1.00 0.00 WAT +ATOM 60908 OH2 TIP3 18200 -10.581 32.881 36.128 1.00 0.00 WAT +ATOM 60909 H1 TIP3 18200 -11.371 33.457 36.072 1.00 0.00 WAT +ATOM 60910 H2 TIP3 18200 -10.978 32.006 36.276 1.00 0.00 WAT +ATOM 60911 OH2 TIP3 18201 -21.227 34.322 33.210 1.00 0.00 WAT +ATOM 60912 H1 TIP3 18201 -20.618 33.767 32.694 1.00 0.00 WAT +ATOM 60913 H2 TIP3 18201 -20.632 34.662 33.904 1.00 0.00 WAT +ATOM 60914 OH2 TIP3 18202 -16.206 34.579 35.903 1.00 0.00 WAT +ATOM 60915 H1 TIP3 18202 -15.676 33.929 36.379 1.00 0.00 WAT +ATOM 60916 H2 TIP3 18202 -15.890 35.426 36.254 1.00 0.00 WAT +ATOM 60917 OH2 TIP3 18203 6.104 41.935 38.929 1.00 0.00 WAT +ATOM 60918 H1 TIP3 18203 5.906 42.862 39.148 1.00 0.00 WAT +ATOM 60919 H2 TIP3 18203 5.320 41.671 38.431 1.00 0.00 WAT +ATOM 60920 OH2 TIP3 18204 4.676 41.199 42.495 1.00 0.00 WAT +ATOM 60921 H1 TIP3 18204 4.923 40.506 43.128 1.00 0.00 WAT +ATOM 60922 H2 TIP3 18204 4.863 40.806 41.638 1.00 0.00 WAT +ATOM 60923 OH2 TIP3 18205 -4.911 38.878 37.766 1.00 0.00 WAT +ATOM 60924 H1 TIP3 18205 -5.371 39.730 37.885 1.00 0.00 WAT +ATOM 60925 H2 TIP3 18205 -5.624 38.326 37.424 1.00 0.00 WAT +ATOM 60926 OH2 TIP3 18206 -3.986 41.303 39.734 1.00 0.00 WAT +ATOM 60927 H1 TIP3 18206 -3.983 40.555 40.359 1.00 0.00 WAT +ATOM 60928 H2 TIP3 18206 -3.198 41.097 39.223 1.00 0.00 WAT +ATOM 60929 OH2 TIP3 18207 6.550 38.145 43.219 1.00 0.00 WAT +ATOM 60930 H1 TIP3 18207 6.964 37.289 43.421 1.00 0.00 WAT +ATOM 60931 H2 TIP3 18207 6.616 38.201 42.250 1.00 0.00 WAT +ATOM 60932 OH2 TIP3 18208 -0.369 36.031 40.424 1.00 0.00 WAT +ATOM 60933 H1 TIP3 18208 -0.174 36.880 39.987 1.00 0.00 WAT +ATOM 60934 H2 TIP3 18208 -0.676 35.518 39.651 1.00 0.00 WAT +ATOM 60935 OH2 TIP3 18209 7.543 36.225 38.650 1.00 0.00 WAT +ATOM 60936 H1 TIP3 18209 8.069 35.828 39.386 1.00 0.00 WAT +ATOM 60937 H2 TIP3 18209 8.247 36.683 38.171 1.00 0.00 WAT +ATOM 60938 OH2 TIP3 18210 -3.396 38.683 40.989 1.00 0.00 WAT +ATOM 60939 H1 TIP3 18210 -2.921 38.088 41.571 1.00 0.00 WAT +ATOM 60940 H2 TIP3 18210 -3.347 38.213 40.138 1.00 0.00 WAT +ATOM 60941 OH2 TIP3 18211 1.728 40.146 40.556 1.00 0.00 WAT +ATOM 60942 H1 TIP3 18211 2.434 39.546 40.860 1.00 0.00 WAT +ATOM 60943 H2 TIP3 18211 1.227 39.566 39.952 1.00 0.00 WAT +ATOM 60944 OH2 TIP3 18212 9.306 35.619 40.666 1.00 0.00 WAT +ATOM 60945 H1 TIP3 18212 9.268 34.741 41.110 1.00 0.00 WAT +ATOM 60946 H2 TIP3 18212 9.798 36.113 41.345 1.00 0.00 WAT +ATOM 60947 OH2 TIP3 18213 -1.130 36.934 42.973 1.00 0.00 WAT +ATOM 60948 H1 TIP3 18213 -1.224 37.873 42.780 1.00 0.00 WAT +ATOM 60949 H2 TIP3 18213 -1.121 36.515 42.090 1.00 0.00 WAT +ATOM 60950 OH2 TIP3 18214 2.602 32.411 41.763 1.00 0.00 WAT +ATOM 60951 H1 TIP3 18214 2.581 31.444 41.829 1.00 0.00 WAT +ATOM 60952 H2 TIP3 18214 1.785 32.659 42.236 1.00 0.00 WAT +ATOM 60953 OH2 TIP3 18215 4.623 41.426 36.359 1.00 0.00 WAT +ATOM 60954 H1 TIP3 18215 4.000 41.821 35.736 1.00 0.00 WAT +ATOM 60955 H2 TIP3 18215 5.408 41.327 35.795 1.00 0.00 WAT +ATOM 60956 OH2 TIP3 18216 5.034 39.447 33.522 1.00 0.00 WAT +ATOM 60957 H1 TIP3 18216 5.759 39.781 34.080 1.00 0.00 WAT +ATOM 60958 H2 TIP3 18216 5.528 38.919 32.880 1.00 0.00 WAT +ATOM 60959 OH2 TIP3 18217 8.351 41.418 37.374 1.00 0.00 WAT +ATOM 60960 H1 TIP3 18217 7.682 41.622 38.062 1.00 0.00 WAT +ATOM 60961 H2 TIP3 18217 9.001 40.904 37.888 1.00 0.00 WAT +ATOM 60962 OH2 TIP3 18218 -0.275 42.050 39.369 1.00 0.00 WAT +ATOM 60963 H1 TIP3 18218 -0.385 41.806 38.433 1.00 0.00 WAT +ATOM 60964 H2 TIP3 18218 0.581 41.648 39.581 1.00 0.00 WAT +ATOM 60965 OH2 TIP3 18219 0.076 40.827 42.842 1.00 0.00 WAT +ATOM 60966 H1 TIP3 18219 0.762 40.837 42.152 1.00 0.00 WAT +ATOM 60967 H2 TIP3 18219 0.453 41.378 43.544 1.00 0.00 WAT +ATOM 60968 OH2 TIP3 18220 7.169 40.739 35.002 1.00 0.00 WAT +ATOM 60969 H1 TIP3 18220 7.723 41.016 35.767 1.00 0.00 WAT +ATOM 60970 H2 TIP3 18220 7.632 41.205 34.260 1.00 0.00 WAT +ATOM 60971 OH2 TIP3 18221 10.660 32.467 34.438 1.00 0.00 WAT +ATOM 60972 H1 TIP3 18221 9.783 32.558 34.853 1.00 0.00 WAT +ATOM 60973 H2 TIP3 18221 11.008 33.370 34.506 1.00 0.00 WAT +ATOM 60974 OH2 TIP3 18222 -1.230 40.886 36.798 1.00 0.00 WAT +ATOM 60975 H1 TIP3 18222 -1.417 41.659 36.229 1.00 0.00 WAT +ATOM 60976 H2 TIP3 18222 -1.874 40.237 36.490 1.00 0.00 WAT +ATOM 60977 OH2 TIP3 18223 0.150 33.290 42.927 1.00 0.00 WAT +ATOM 60978 H1 TIP3 18223 -0.669 33.257 42.404 1.00 0.00 WAT +ATOM 60979 H2 TIP3 18223 0.276 34.246 43.085 1.00 0.00 WAT +ATOM 60980 OH2 TIP3 18224 8.526 41.778 32.901 1.00 0.00 WAT +ATOM 60981 H1 TIP3 18224 8.521 41.523 31.966 1.00 0.00 WAT +ATOM 60982 H2 TIP3 18224 9.420 42.159 32.995 1.00 0.00 WAT +ATOM 60983 OH2 TIP3 18225 4.410 35.582 33.439 1.00 0.00 WAT +ATOM 60984 H1 TIP3 18225 3.924 35.456 34.267 1.00 0.00 WAT +ATOM 60985 H2 TIP3 18225 4.004 34.893 32.885 1.00 0.00 WAT +ATOM 60986 OH2 TIP3 18226 0.053 38.348 38.834 1.00 0.00 WAT +ATOM 60987 H1 TIP3 18226 -0.904 38.277 38.668 1.00 0.00 WAT +ATOM 60988 H2 TIP3 18226 0.402 38.141 37.945 1.00 0.00 WAT +ATOM 60989 OH2 TIP3 18227 5.652 38.976 37.641 1.00 0.00 WAT +ATOM 60990 H1 TIP3 18227 5.197 39.744 37.249 1.00 0.00 WAT +ATOM 60991 H2 TIP3 18227 6.327 38.780 36.970 1.00 0.00 WAT +ATOM 60992 OH2 TIP3 18228 6.426 38.320 40.426 1.00 0.00 WAT +ATOM 60993 H1 TIP3 18228 6.172 38.861 39.652 1.00 0.00 WAT +ATOM 60994 H2 TIP3 18228 6.662 37.489 39.969 1.00 0.00 WAT +ATOM 60995 OH2 TIP3 18229 0.836 36.049 32.346 1.00 0.00 WAT +ATOM 60996 H1 TIP3 18229 0.494 35.682 33.187 1.00 0.00 WAT +ATOM 60997 H2 TIP3 18229 0.036 36.127 31.814 1.00 0.00 WAT +ATOM 60998 OH2 TIP3 18230 -5.689 35.908 39.424 1.00 0.00 WAT +ATOM 60999 H1 TIP3 18230 -5.121 35.894 40.216 1.00 0.00 WAT +ATOM 61000 H2 TIP3 18230 -5.142 35.494 38.742 1.00 0.00 WAT +ATOM 61001 OH2 TIP3 18231 -4.147 36.324 35.121 1.00 0.00 WAT +ATOM 61002 H1 TIP3 18231 -3.582 36.812 34.490 1.00 0.00 WAT +ATOM 61003 H2 TIP3 18231 -4.833 36.991 35.313 1.00 0.00 WAT +ATOM 61004 OH2 TIP3 18232 2.722 35.969 39.819 1.00 0.00 WAT +ATOM 61005 H1 TIP3 18232 1.801 35.886 40.113 1.00 0.00 WAT +ATOM 61006 H2 TIP3 18232 3.208 35.750 40.633 1.00 0.00 WAT +ATOM 61007 OH2 TIP3 18233 -2.639 37.170 38.539 1.00 0.00 WAT +ATOM 61008 H1 TIP3 18233 -3.446 37.453 38.073 1.00 0.00 WAT +ATOM 61009 H2 TIP3 18233 -2.343 36.392 38.031 1.00 0.00 WAT +ATOM 61010 OH2 TIP3 18234 1.009 37.484 36.190 1.00 0.00 WAT +ATOM 61011 H1 TIP3 18234 1.976 37.565 36.280 1.00 0.00 WAT +ATOM 61012 H2 TIP3 18234 0.783 38.120 35.491 1.00 0.00 WAT +ATOM 61013 OH2 TIP3 18235 7.139 34.613 42.802 1.00 0.00 WAT +ATOM 61014 H1 TIP3 18235 6.817 34.951 43.653 1.00 0.00 WAT +ATOM 61015 H2 TIP3 18235 6.380 34.703 42.212 1.00 0.00 WAT +ATOM 61016 OH2 TIP3 18236 -0.573 38.783 33.980 1.00 0.00 WAT +ATOM 61017 H1 TIP3 18236 -1.119 38.427 33.265 1.00 0.00 WAT +ATOM 61018 H2 TIP3 18236 0.262 38.963 33.514 1.00 0.00 WAT +ATOM 61019 OH2 TIP3 18237 3.664 38.304 41.840 1.00 0.00 WAT +ATOM 61020 H1 TIP3 18237 4.462 38.031 41.363 1.00 0.00 WAT +ATOM 61021 H2 TIP3 18237 3.734 37.776 42.649 1.00 0.00 WAT +ATOM 61022 OH2 TIP3 18238 -0.873 34.906 37.845 1.00 0.00 WAT +ATOM 61023 H1 TIP3 18238 -1.405 34.110 38.001 1.00 0.00 WAT +ATOM 61024 H2 TIP3 18238 -0.057 34.544 37.473 1.00 0.00 WAT +ATOM 61025 OH2 TIP3 18239 2.495 43.653 36.022 1.00 0.00 WAT +ATOM 61026 H1 TIP3 18239 2.118 42.967 35.441 1.00 0.00 WAT +ATOM 61027 H2 TIP3 18239 2.992 43.175 36.692 1.00 0.00 WAT +ATOM 61028 OH2 TIP3 18240 7.097 36.185 33.560 1.00 0.00 WAT +ATOM 61029 H1 TIP3 18240 6.114 36.140 33.552 1.00 0.00 WAT +ATOM 61030 H2 TIP3 18240 7.286 36.879 34.224 1.00 0.00 WAT +ATOM 61031 OH2 TIP3 18241 7.775 37.969 35.639 1.00 0.00 WAT +ATOM 61032 H1 TIP3 18241 8.640 37.803 36.065 1.00 0.00 WAT +ATOM 61033 H2 TIP3 18241 7.898 38.852 35.249 1.00 0.00 WAT +ATOM 61034 OH2 TIP3 18242 -1.777 42.384 41.635 1.00 0.00 WAT +ATOM 61035 H1 TIP3 18242 -1.175 42.379 40.860 1.00 0.00 WAT +ATOM 61036 H2 TIP3 18242 -1.403 41.633 42.134 1.00 0.00 WAT +ATOM 61037 OH2 TIP3 18243 12.369 37.961 35.373 1.00 0.00 WAT +ATOM 61038 H1 TIP3 18243 11.802 37.776 34.599 1.00 0.00 WAT +ATOM 61039 H2 TIP3 18243 12.489 38.921 35.247 1.00 0.00 WAT +ATOM 61040 OH2 TIP3 18244 7.494 42.162 42.207 1.00 0.00 WAT +ATOM 61041 H1 TIP3 18244 6.781 41.870 42.793 1.00 0.00 WAT +ATOM 61042 H2 TIP3 18244 8.007 41.353 42.035 1.00 0.00 WAT +ATOM 61043 OH2 TIP3 18245 -3.640 40.951 33.412 1.00 0.00 WAT +ATOM 61044 H1 TIP3 18245 -3.054 41.546 33.908 1.00 0.00 WAT +ATOM 61045 H2 TIP3 18245 -4.490 41.090 33.883 1.00 0.00 WAT +ATOM 61046 OH2 TIP3 18246 -1.880 -43.865 35.239 1.00 0.00 WAT +ATOM 61047 H1 TIP3 18246 -2.766 -43.512 35.439 1.00 0.00 WAT +ATOM 61048 H2 TIP3 18246 -1.379 -43.049 35.094 1.00 0.00 WAT +ATOM 61049 OH2 TIP3 18247 6.269 34.919 36.320 1.00 0.00 WAT +ATOM 61050 H1 TIP3 18247 6.448 35.480 35.552 1.00 0.00 WAT +ATOM 61051 H2 TIP3 18247 6.700 35.416 37.040 1.00 0.00 WAT +ATOM 61052 OH2 TIP3 18248 3.655 36.951 37.267 1.00 0.00 WAT +ATOM 61053 H1 TIP3 18248 4.437 37.506 37.453 1.00 0.00 WAT +ATOM 61054 H2 TIP3 18248 3.353 36.726 38.170 1.00 0.00 WAT +ATOM 61055 OH2 TIP3 18249 4.197 33.933 38.167 1.00 0.00 WAT +ATOM 61056 H1 TIP3 18249 4.093 34.537 38.925 1.00 0.00 WAT +ATOM 61057 H2 TIP3 18249 4.984 34.316 37.734 1.00 0.00 WAT +ATOM 61058 OH2 TIP3 18250 -0.018 34.947 34.739 1.00 0.00 WAT +ATOM 61059 H1 TIP3 18250 0.004 35.703 35.351 1.00 0.00 WAT +ATOM 61060 H2 TIP3 18250 0.790 34.468 35.014 1.00 0.00 WAT +ATOM 61061 OH2 TIP3 18251 8.780 39.689 41.313 1.00 0.00 WAT +ATOM 61062 H1 TIP3 18251 7.972 39.206 41.076 1.00 0.00 WAT +ATOM 61063 H2 TIP3 18251 9.338 38.969 41.694 1.00 0.00 WAT +ATOM 61064 OH2 TIP3 18252 -3.471 38.011 32.920 1.00 0.00 WAT +ATOM 61065 H1 TIP3 18252 -3.347 38.949 33.136 1.00 0.00 WAT +ATOM 61066 H2 TIP3 18252 -4.362 38.002 32.550 1.00 0.00 WAT +ATOM 61067 OH2 TIP3 18253 -2.604 33.021 41.715 1.00 0.00 WAT +ATOM 61068 H1 TIP3 18253 -2.731 33.056 40.744 1.00 0.00 WAT +ATOM 61069 H2 TIP3 18253 -2.915 32.136 41.939 1.00 0.00 WAT +ATOM 61070 OH2 TIP3 18254 1.081 41.617 34.564 1.00 0.00 WAT +ATOM 61071 H1 TIP3 18254 0.437 41.194 35.146 1.00 0.00 WAT +ATOM 61072 H2 TIP3 18254 1.246 40.922 33.899 1.00 0.00 WAT +ATOM 61073 OH2 TIP3 18255 1.931 39.567 32.845 1.00 0.00 WAT +ATOM 61074 H1 TIP3 18255 1.913 39.715 31.882 1.00 0.00 WAT +ATOM 61075 H2 TIP3 18255 2.891 39.552 33.017 1.00 0.00 WAT +ATOM 61076 OH2 TIP3 18256 11.233 41.887 32.067 1.00 0.00 WAT +ATOM 61077 H1 TIP3 18256 11.154 41.824 31.101 1.00 0.00 WAT +ATOM 61078 H2 TIP3 18256 11.241 42.849 32.243 1.00 0.00 WAT +ATOM 61079 OH2 TIP3 18257 12.046 43.594 36.429 1.00 0.00 WAT +ATOM 61080 H1 TIP3 18257 13.005 43.588 36.337 1.00 0.00 WAT +ATOM 61081 H2 TIP3 18257 11.861 42.793 36.945 1.00 0.00 WAT +ATOM 61082 OH2 TIP3 18258 12.427 41.324 38.125 1.00 0.00 WAT +ATOM 61083 H1 TIP3 18258 11.626 40.911 38.504 1.00 0.00 WAT +ATOM 61084 H2 TIP3 18258 12.956 41.520 38.920 1.00 0.00 WAT +ATOM 61085 OH2 TIP3 18259 12.602 40.950 34.609 1.00 0.00 WAT +ATOM 61086 H1 TIP3 18259 11.956 41.166 33.910 1.00 0.00 WAT +ATOM 61087 H2 TIP3 18259 12.438 41.662 35.241 1.00 0.00 WAT +ATOM 61088 OH2 TIP3 18260 10.847 38.442 32.951 1.00 0.00 WAT +ATOM 61089 H1 TIP3 18260 11.054 39.055 32.233 1.00 0.00 WAT +ATOM 61090 H2 TIP3 18260 10.607 37.622 32.476 1.00 0.00 WAT +ATOM 61091 OH2 TIP3 18261 10.133 39.661 38.848 1.00 0.00 WAT +ATOM 61092 H1 TIP3 18261 10.113 38.698 38.730 1.00 0.00 WAT +ATOM 61093 H2 TIP3 18261 9.794 39.757 39.763 1.00 0.00 WAT +ATOM 61094 OH2 TIP3 18262 -4.949 41.305 42.675 1.00 0.00 WAT +ATOM 61095 H1 TIP3 18262 -4.838 41.894 41.917 1.00 0.00 WAT +ATOM 61096 H2 TIP3 18262 -4.181 41.522 43.225 1.00 0.00 WAT +ATOM 61097 OH2 TIP3 18263 10.311 35.790 32.147 1.00 0.00 WAT +ATOM 61098 H1 TIP3 18263 10.889 35.290 32.751 1.00 0.00 WAT +ATOM 61099 H2 TIP3 18263 9.508 35.251 32.099 1.00 0.00 WAT +ATOM 61100 OH2 TIP3 18264 10.128 37.073 37.089 1.00 0.00 WAT +ATOM 61101 H1 TIP3 18264 10.356 36.123 37.170 1.00 0.00 WAT +ATOM 61102 H2 TIP3 18264 10.947 37.416 36.692 1.00 0.00 WAT +ATOM 61103 OH2 TIP3 18265 10.358 37.767 42.233 1.00 0.00 WAT +ATOM 61104 H1 TIP3 18265 11.310 37.727 42.420 1.00 0.00 WAT +ATOM 61105 H2 TIP3 18265 9.962 37.503 43.083 1.00 0.00 WAT +ATOM 61106 OH2 TIP3 18266 10.594 34.268 37.065 1.00 0.00 WAT +ATOM 61107 H1 TIP3 18266 10.683 33.960 37.984 1.00 0.00 WAT +ATOM 61108 H2 TIP3 18266 9.789 33.789 36.779 1.00 0.00 WAT +ATOM 61109 OH2 TIP3 18267 -4.159 35.577 41.912 1.00 0.00 WAT +ATOM 61110 H1 TIP3 18267 -3.828 34.671 42.033 1.00 0.00 WAT +ATOM 61111 H2 TIP3 18267 -3.624 36.049 42.559 1.00 0.00 WAT +ATOM 61112 OH2 TIP3 18268 -5.777 38.444 43.021 1.00 0.00 WAT +ATOM 61113 H1 TIP3 18268 -5.324 38.112 42.231 1.00 0.00 WAT +ATOM 61114 H2 TIP3 18268 -5.512 39.389 42.997 1.00 0.00 WAT +ATOM 61115 OH2 TIP3 18269 12.553 34.760 33.735 1.00 0.00 WAT +ATOM 61116 H1 TIP3 18269 12.860 33.951 33.292 1.00 0.00 WAT +ATOM 61117 H2 TIP3 18269 13.376 35.270 33.819 1.00 0.00 WAT +ATOM 61118 OH2 TIP3 18270 -5.194 34.426 36.879 1.00 0.00 WAT +ATOM 61119 H1 TIP3 18270 -6.151 34.546 36.740 1.00 0.00 WAT +ATOM 61120 H2 TIP3 18270 -4.800 35.091 36.280 1.00 0.00 WAT +ATOM 61121 OH2 TIP3 18271 4.710 34.392 41.239 1.00 0.00 WAT +ATOM 61122 H1 TIP3 18271 4.121 33.669 41.530 1.00 0.00 WAT +ATOM 61123 H2 TIP3 18271 5.412 33.895 40.770 1.00 0.00 WAT +ATOM 61124 OH2 TIP3 18272 9.664 33.071 41.542 1.00 0.00 WAT +ATOM 61125 H1 TIP3 18272 10.496 32.725 41.197 1.00 0.00 WAT +ATOM 61126 H2 TIP3 18272 8.966 32.535 41.155 1.00 0.00 WAT +ATOM 61127 OH2 TIP3 18273 11.832 33.396 39.576 1.00 0.00 WAT +ATOM 61128 H1 TIP3 18273 12.577 33.051 39.052 1.00 0.00 WAT +ATOM 61129 H2 TIP3 18273 12.091 34.321 39.739 1.00 0.00 WAT +ATOM 61130 OH2 TIP3 18274 -2.921 33.005 38.896 1.00 0.00 WAT +ATOM 61131 H1 TIP3 18274 -3.766 32.869 38.426 1.00 0.00 WAT +ATOM 61132 H2 TIP3 18274 -2.472 32.156 38.728 1.00 0.00 WAT +ATOM 61133 OH2 TIP3 18275 -4.113 32.509 34.766 1.00 0.00 WAT +ATOM 61134 H1 TIP3 18275 -3.587 33.163 34.268 1.00 0.00 WAT +ATOM 61135 H2 TIP3 18275 -4.495 33.054 35.475 1.00 0.00 WAT +ATOM 61136 OH2 TIP3 18276 1.594 32.760 38.912 1.00 0.00 WAT +ATOM 61137 H1 TIP3 18276 2.469 33.134 38.711 1.00 0.00 WAT +ATOM 61138 H2 TIP3 18276 1.647 32.681 39.875 1.00 0.00 WAT +ATOM 61139 OH2 TIP3 18277 6.926 32.925 39.982 1.00 0.00 WAT +ATOM 61140 H1 TIP3 18277 7.409 32.667 39.189 1.00 0.00 WAT +ATOM 61141 H2 TIP3 18277 6.732 32.073 40.405 1.00 0.00 WAT +ATOM 61142 OH2 TIP3 18278 8.272 32.874 36.159 1.00 0.00 WAT +ATOM 61143 H1 TIP3 18278 7.454 33.396 36.044 1.00 0.00 WAT +ATOM 61144 H2 TIP3 18278 7.906 31.981 36.285 1.00 0.00 WAT +ATOM 61145 OH2 TIP3 18279 -2.375 34.318 33.206 1.00 0.00 WAT +ATOM 61146 H1 TIP3 18279 -1.762 33.763 32.695 1.00 0.00 WAT +ATOM 61147 H2 TIP3 18279 -1.782 34.653 33.907 1.00 0.00 WAT +ATOM 61148 OH2 TIP3 18280 2.698 34.501 35.837 1.00 0.00 WAT +ATOM 61149 H1 TIP3 18280 3.098 33.954 36.535 1.00 0.00 WAT +ATOM 61150 H2 TIP3 18280 2.898 35.381 36.194 1.00 0.00 WAT +ATOM 61151 OH2 TIP3 18281 24.956 41.936 38.933 1.00 0.00 WAT +ATOM 61152 H1 TIP3 18281 24.754 42.865 39.136 1.00 0.00 WAT +ATOM 61153 H2 TIP3 18281 24.179 41.665 38.426 1.00 0.00 WAT +ATOM 61154 OH2 TIP3 18282 23.590 41.202 42.511 1.00 0.00 WAT +ATOM 61155 H1 TIP3 18282 23.790 40.466 43.106 1.00 0.00 WAT +ATOM 61156 H2 TIP3 18282 23.687 40.817 41.635 1.00 0.00 WAT +ATOM 61157 OH2 TIP3 18283 13.948 38.903 37.767 1.00 0.00 WAT +ATOM 61158 H1 TIP3 18283 13.460 39.742 37.862 1.00 0.00 WAT +ATOM 61159 H2 TIP3 18283 13.254 38.313 37.450 1.00 0.00 WAT +ATOM 61160 OH2 TIP3 18284 14.881 41.311 39.749 1.00 0.00 WAT +ATOM 61161 H1 TIP3 18284 14.873 40.545 40.353 1.00 0.00 WAT +ATOM 61162 H2 TIP3 18284 15.639 41.081 39.203 1.00 0.00 WAT +ATOM 61163 OH2 TIP3 18285 25.386 38.171 43.220 1.00 0.00 WAT +ATOM 61164 H1 TIP3 18285 25.825 37.329 43.429 1.00 0.00 WAT +ATOM 61165 H2 TIP3 18285 25.463 38.219 42.250 1.00 0.00 WAT +ATOM 61166 OH2 TIP3 18286 18.511 36.028 40.418 1.00 0.00 WAT +ATOM 61167 H1 TIP3 18286 18.672 36.880 39.975 1.00 0.00 WAT +ATOM 61168 H2 TIP3 18286 18.187 35.506 39.658 1.00 0.00 WAT +ATOM 61169 OH2 TIP3 18287 26.392 36.228 38.645 1.00 0.00 WAT +ATOM 61170 H1 TIP3 18287 26.916 35.835 39.386 1.00 0.00 WAT +ATOM 61171 H2 TIP3 18287 27.100 36.684 38.170 1.00 0.00 WAT +ATOM 61172 OH2 TIP3 18288 15.493 38.706 40.980 1.00 0.00 WAT +ATOM 61173 H1 TIP3 18288 15.903 38.075 41.576 1.00 0.00 WAT +ATOM 61174 H2 TIP3 18288 15.497 38.216 40.139 1.00 0.00 WAT +ATOM 61175 OH2 TIP3 18289 20.584 40.149 40.549 1.00 0.00 WAT +ATOM 61176 H1 TIP3 18289 21.282 39.543 40.858 1.00 0.00 WAT +ATOM 61177 H2 TIP3 18289 20.078 39.567 39.950 1.00 0.00 WAT +ATOM 61178 OH2 TIP3 18290 28.140 35.660 40.661 1.00 0.00 WAT +ATOM 61179 H1 TIP3 18290 28.130 34.756 41.061 1.00 0.00 WAT +ATOM 61180 H2 TIP3 18290 28.653 36.126 41.343 1.00 0.00 WAT +ATOM 61181 OH2 TIP3 18291 17.759 36.942 42.984 1.00 0.00 WAT +ATOM 61182 H1 TIP3 18291 17.591 37.871 42.790 1.00 0.00 WAT +ATOM 61183 H2 TIP3 18291 17.712 36.510 42.110 1.00 0.00 WAT +ATOM 61184 OH2 TIP3 18292 21.471 32.410 41.774 1.00 0.00 WAT +ATOM 61185 H1 TIP3 18292 21.425 31.443 41.829 1.00 0.00 WAT +ATOM 61186 H2 TIP3 18292 20.643 32.670 42.225 1.00 0.00 WAT +ATOM 61187 OH2 TIP3 18293 23.474 41.421 36.364 1.00 0.00 WAT +ATOM 61188 H1 TIP3 18293 22.855 41.878 35.775 1.00 0.00 WAT +ATOM 61189 H2 TIP3 18293 24.243 41.324 35.779 1.00 0.00 WAT +ATOM 61190 OH2 TIP3 18294 23.897 39.416 33.547 1.00 0.00 WAT +ATOM 61191 H1 TIP3 18294 24.623 39.783 34.082 1.00 0.00 WAT +ATOM 61192 H2 TIP3 18294 24.391 38.928 32.876 1.00 0.00 WAT +ATOM 61193 OH2 TIP3 18295 27.209 41.442 37.377 1.00 0.00 WAT +ATOM 61194 H1 TIP3 18295 26.532 41.618 38.064 1.00 0.00 WAT +ATOM 61195 H2 TIP3 18295 27.858 40.914 37.880 1.00 0.00 WAT +ATOM 61196 OH2 TIP3 18296 18.600 42.068 39.361 1.00 0.00 WAT +ATOM 61197 H1 TIP3 18296 18.452 41.790 38.439 1.00 0.00 WAT +ATOM 61198 H2 TIP3 18296 19.432 41.617 39.573 1.00 0.00 WAT +ATOM 61199 OH2 TIP3 18297 18.946 40.814 42.848 1.00 0.00 WAT +ATOM 61200 H1 TIP3 18297 19.608 40.833 42.135 1.00 0.00 WAT +ATOM 61201 H2 TIP3 18297 19.307 41.416 43.512 1.00 0.00 WAT +ATOM 61202 OH2 TIP3 18298 26.022 40.727 35.014 1.00 0.00 WAT +ATOM 61203 H1 TIP3 18298 26.577 41.013 35.775 1.00 0.00 WAT +ATOM 61204 H2 TIP3 18298 26.486 41.189 34.269 1.00 0.00 WAT +ATOM 61205 OH2 TIP3 18299 17.622 40.900 36.814 1.00 0.00 WAT +ATOM 61206 H1 TIP3 18299 17.426 41.668 36.239 1.00 0.00 WAT +ATOM 61207 H2 TIP3 18299 17.000 40.234 36.495 1.00 0.00 WAT +ATOM 61208 OH2 TIP3 18300 19.035 33.299 42.904 1.00 0.00 WAT +ATOM 61209 H1 TIP3 18300 18.193 33.215 42.421 1.00 0.00 WAT +ATOM 61210 H2 TIP3 18300 19.095 34.255 43.077 1.00 0.00 WAT +ATOM 61211 OH2 TIP3 18301 27.418 41.763 32.957 1.00 0.00 WAT +ATOM 61212 H1 TIP3 18301 27.342 41.597 32.001 1.00 0.00 WAT +ATOM 61213 H2 TIP3 18301 28.314 42.147 33.011 1.00 0.00 WAT +ATOM 61214 OH2 TIP3 18302 23.305 35.512 33.464 1.00 0.00 WAT +ATOM 61215 H1 TIP3 18302 22.759 35.452 34.264 1.00 0.00 WAT +ATOM 61216 H2 TIP3 18302 22.823 34.896 32.884 1.00 0.00 WAT +ATOM 61217 OH2 TIP3 18303 18.907 38.366 38.826 1.00 0.00 WAT +ATOM 61218 H1 TIP3 18303 17.949 38.270 38.673 1.00 0.00 WAT +ATOM 61219 H2 TIP3 18303 19.248 38.137 37.939 1.00 0.00 WAT +ATOM 61220 OH2 TIP3 18304 24.501 38.986 37.639 1.00 0.00 WAT +ATOM 61221 H1 TIP3 18304 24.046 39.751 37.241 1.00 0.00 WAT +ATOM 61222 H2 TIP3 18304 25.174 38.784 36.968 1.00 0.00 WAT +ATOM 61223 OH2 TIP3 18305 25.286 38.322 40.423 1.00 0.00 WAT +ATOM 61224 H1 TIP3 18305 25.029 38.860 39.649 1.00 0.00 WAT +ATOM 61225 H2 TIP3 18305 25.519 37.488 39.969 1.00 0.00 WAT +ATOM 61226 OH2 TIP3 18306 19.718 36.030 32.354 1.00 0.00 WAT +ATOM 61227 H1 TIP3 18306 19.341 35.666 33.181 1.00 0.00 WAT +ATOM 61228 H2 TIP3 18306 18.928 36.165 31.816 1.00 0.00 WAT +ATOM 61229 OH2 TIP3 18307 13.220 36.008 39.399 1.00 0.00 WAT +ATOM 61230 H1 TIP3 18307 13.735 35.878 40.215 1.00 0.00 WAT +ATOM 61231 H2 TIP3 18307 13.688 35.482 38.735 1.00 0.00 WAT +ATOM 61232 OH2 TIP3 18308 14.738 36.334 35.139 1.00 0.00 WAT +ATOM 61233 H1 TIP3 18308 15.273 36.818 34.477 1.00 0.00 WAT +ATOM 61234 H2 TIP3 18308 14.032 36.982 35.313 1.00 0.00 WAT +ATOM 61235 OH2 TIP3 18309 21.581 35.986 39.823 1.00 0.00 WAT +ATOM 61236 H1 TIP3 18309 20.653 35.885 40.094 1.00 0.00 WAT +ATOM 61237 H2 TIP3 18309 22.051 35.730 40.635 1.00 0.00 WAT +ATOM 61238 OH2 TIP3 18310 16.247 37.190 38.517 1.00 0.00 WAT +ATOM 61239 H1 TIP3 18310 15.406 37.434 38.092 1.00 0.00 WAT +ATOM 61240 H2 TIP3 18310 16.515 36.386 38.035 1.00 0.00 WAT +ATOM 61241 OH2 TIP3 18311 19.883 37.489 36.194 1.00 0.00 WAT +ATOM 61242 H1 TIP3 18311 20.846 37.608 36.248 1.00 0.00 WAT +ATOM 61243 H2 TIP3 18311 19.611 38.097 35.484 1.00 0.00 WAT +ATOM 61244 OH2 TIP3 18312 25.994 34.588 42.817 1.00 0.00 WAT +ATOM 61245 H1 TIP3 18312 25.665 34.956 43.651 1.00 0.00 WAT +ATOM 61246 H2 TIP3 18312 25.251 34.686 42.208 1.00 0.00 WAT +ATOM 61247 OH2 TIP3 18313 18.304 38.783 33.990 1.00 0.00 WAT +ATOM 61248 H1 TIP3 18313 17.735 38.448 33.280 1.00 0.00 WAT +ATOM 61249 H2 TIP3 18313 19.126 38.963 33.501 1.00 0.00 WAT +ATOM 61250 OH2 TIP3 18314 22.538 38.335 41.865 1.00 0.00 WAT +ATOM 61251 H1 TIP3 18314 23.303 38.022 41.357 1.00 0.00 WAT +ATOM 61252 H2 TIP3 18314 22.569 37.751 42.636 1.00 0.00 WAT +ATOM 61253 OH2 TIP3 18315 17.988 34.902 37.856 1.00 0.00 WAT +ATOM 61254 H1 TIP3 18315 17.422 34.126 38.005 1.00 0.00 WAT +ATOM 61255 H2 TIP3 18315 18.781 34.511 37.465 1.00 0.00 WAT +ATOM 61256 OH2 TIP3 18316 21.481 43.687 35.912 1.00 0.00 WAT +ATOM 61257 H1 TIP3 18316 20.940 43.030 35.430 1.00 0.00 WAT +ATOM 61258 H2 TIP3 18316 21.708 43.238 36.732 1.00 0.00 WAT +ATOM 61259 OH2 TIP3 18317 25.960 36.229 33.467 1.00 0.00 WAT +ATOM 61260 H1 TIP3 18317 24.982 36.132 33.542 1.00 0.00 WAT +ATOM 61261 H2 TIP3 18317 26.164 36.848 34.201 1.00 0.00 WAT +ATOM 61262 OH2 TIP3 18318 26.633 37.954 35.634 1.00 0.00 WAT +ATOM 61263 H1 TIP3 18318 27.495 37.800 36.068 1.00 0.00 WAT +ATOM 61264 H2 TIP3 18318 26.742 38.846 35.260 1.00 0.00 WAT +ATOM 61265 OH2 TIP3 18319 17.101 42.401 41.641 1.00 0.00 WAT +ATOM 61266 H1 TIP3 18319 17.689 42.382 40.857 1.00 0.00 WAT +ATOM 61267 H2 TIP3 18319 17.430 41.616 42.117 1.00 0.00 WAT +ATOM 61268 OH2 TIP3 18320 31.216 37.959 35.346 1.00 0.00 WAT +ATOM 61269 H1 TIP3 18320 30.626 37.835 34.575 1.00 0.00 WAT +ATOM 61270 H2 TIP3 18320 31.368 38.919 35.263 1.00 0.00 WAT +ATOM 61271 OH2 TIP3 18321 26.353 42.173 42.205 1.00 0.00 WAT +ATOM 61272 H1 TIP3 18321 25.614 41.860 42.748 1.00 0.00 WAT +ATOM 61273 H2 TIP3 18321 26.864 41.365 42.019 1.00 0.00 WAT +ATOM 61274 OH2 TIP3 18322 15.219 40.948 33.429 1.00 0.00 WAT +ATOM 61275 H1 TIP3 18322 15.805 41.547 33.916 1.00 0.00 WAT +ATOM 61276 H2 TIP3 18322 14.366 41.099 33.889 1.00 0.00 WAT +ATOM 61277 OH2 TIP3 18323 17.012 -43.858 35.282 1.00 0.00 WAT +ATOM 61278 H1 TIP3 18323 16.093 -43.540 35.408 1.00 0.00 WAT +ATOM 61279 H2 TIP3 18323 17.448 -43.033 35.025 1.00 0.00 WAT +ATOM 61280 OH2 TIP3 18324 25.329 34.781 36.343 1.00 0.00 WAT +ATOM 61281 H1 TIP3 18324 25.255 35.402 35.608 1.00 0.00 WAT +ATOM 61282 H2 TIP3 18324 25.625 35.357 37.073 1.00 0.00 WAT +ATOM 61283 OH2 TIP3 18325 22.580 36.911 37.268 1.00 0.00 WAT +ATOM 61284 H1 TIP3 18325 23.311 37.527 37.472 1.00 0.00 WAT +ATOM 61285 H2 TIP3 18325 22.233 36.713 38.160 1.00 0.00 WAT +ATOM 61286 OH2 TIP3 18326 23.060 33.936 38.171 1.00 0.00 WAT +ATOM 61287 H1 TIP3 18326 22.949 34.543 38.926 1.00 0.00 WAT +ATOM 61288 H2 TIP3 18326 23.870 34.297 37.766 1.00 0.00 WAT +ATOM 61289 OH2 TIP3 18327 18.832 34.946 34.738 1.00 0.00 WAT +ATOM 61290 H1 TIP3 18327 18.849 35.697 35.356 1.00 0.00 WAT +ATOM 61291 H2 TIP3 18327 19.635 34.460 35.008 1.00 0.00 WAT +ATOM 61292 OH2 TIP3 18328 27.623 39.707 41.326 1.00 0.00 WAT +ATOM 61293 H1 TIP3 18328 26.832 39.205 41.074 1.00 0.00 WAT +ATOM 61294 H2 TIP3 18328 28.199 38.997 41.701 1.00 0.00 WAT +ATOM 61295 OH2 TIP3 18329 15.370 38.001 32.957 1.00 0.00 WAT +ATOM 61296 H1 TIP3 18329 15.490 38.948 33.135 1.00 0.00 WAT +ATOM 61297 H2 TIP3 18329 14.524 37.985 32.493 1.00 0.00 WAT +ATOM 61298 OH2 TIP3 18330 16.285 33.001 41.713 1.00 0.00 WAT +ATOM 61299 H1 TIP3 18330 16.122 33.044 40.748 1.00 0.00 WAT +ATOM 61300 H2 TIP3 18330 15.915 32.141 41.952 1.00 0.00 WAT +ATOM 61301 OH2 TIP3 18331 19.979 41.615 34.655 1.00 0.00 WAT +ATOM 61302 H1 TIP3 18331 19.278 41.185 35.162 1.00 0.00 WAT +ATOM 61303 H2 TIP3 18331 20.119 40.977 33.929 1.00 0.00 WAT +ATOM 61304 OH2 TIP3 18332 20.778 39.580 32.840 1.00 0.00 WAT +ATOM 61305 H1 TIP3 18332 20.746 39.707 31.873 1.00 0.00 WAT +ATOM 61306 H2 TIP3 18332 21.738 39.574 33.005 1.00 0.00 WAT +ATOM 61307 OH2 TIP3 18333 30.087 41.886 32.068 1.00 0.00 WAT +ATOM 61308 H1 TIP3 18333 29.968 41.834 31.105 1.00 0.00 WAT +ATOM 61309 H2 TIP3 18333 30.142 42.848 32.238 1.00 0.00 WAT +ATOM 61310 OH2 TIP3 18334 30.812 43.652 36.457 1.00 0.00 WAT +ATOM 61311 H1 TIP3 18334 31.771 43.696 36.353 1.00 0.00 WAT +ATOM 61312 H2 TIP3 18334 30.675 42.827 36.947 1.00 0.00 WAT +ATOM 61313 OH2 TIP3 18335 31.281 41.330 38.121 1.00 0.00 WAT +ATOM 61314 H1 TIP3 18335 30.489 40.910 38.509 1.00 0.00 WAT +ATOM 61315 H2 TIP3 18335 31.833 41.504 38.907 1.00 0.00 WAT +ATOM 61316 OH2 TIP3 18336 31.446 40.927 34.614 1.00 0.00 WAT +ATOM 61317 H1 TIP3 18336 30.815 41.166 33.908 1.00 0.00 WAT +ATOM 61318 H2 TIP3 18336 31.313 41.648 35.241 1.00 0.00 WAT +ATOM 61319 OH2 TIP3 18337 29.723 38.421 32.948 1.00 0.00 WAT +ATOM 61320 H1 TIP3 18337 29.914 39.077 32.261 1.00 0.00 WAT +ATOM 61321 H2 TIP3 18337 29.493 37.625 32.431 1.00 0.00 WAT +ATOM 61322 OH2 TIP3 18338 28.975 39.655 38.845 1.00 0.00 WAT +ATOM 61323 H1 TIP3 18338 28.967 38.690 38.736 1.00 0.00 WAT +ATOM 61324 H2 TIP3 18338 28.651 39.754 39.764 1.00 0.00 WAT +ATOM 61325 OH2 TIP3 18339 13.896 41.327 42.668 1.00 0.00 WAT +ATOM 61326 H1 TIP3 18339 14.059 41.887 41.897 1.00 0.00 WAT +ATOM 61327 H2 TIP3 18339 14.655 41.518 43.239 1.00 0.00 WAT +ATOM 61328 OH2 TIP3 18340 29.206 35.745 32.158 1.00 0.00 WAT +ATOM 61329 H1 TIP3 18340 29.730 35.273 32.834 1.00 0.00 WAT +ATOM 61330 H2 TIP3 18340 28.356 35.286 32.176 1.00 0.00 WAT +ATOM 61331 OH2 TIP3 18341 28.985 37.062 37.092 1.00 0.00 WAT +ATOM 61332 H1 TIP3 18341 29.213 36.112 37.176 1.00 0.00 WAT +ATOM 61333 H2 TIP3 18341 29.805 37.402 36.695 1.00 0.00 WAT +ATOM 61334 OH2 TIP3 18342 29.223 37.782 42.223 1.00 0.00 WAT +ATOM 61335 H1 TIP3 18342 30.177 37.733 42.407 1.00 0.00 WAT +ATOM 61336 H2 TIP3 18342 28.835 37.430 43.046 1.00 0.00 WAT +ATOM 61337 OH2 TIP3 18343 29.531 34.278 37.083 1.00 0.00 WAT +ATOM 61338 H1 TIP3 18343 29.466 33.945 37.996 1.00 0.00 WAT +ATOM 61339 H2 TIP3 18343 28.799 33.795 36.640 1.00 0.00 WAT +ATOM 61340 OH2 TIP3 18344 14.711 35.595 41.907 1.00 0.00 WAT +ATOM 61341 H1 TIP3 18344 14.980 34.671 42.037 1.00 0.00 WAT +ATOM 61342 H2 TIP3 18344 15.250 36.030 42.577 1.00 0.00 WAT +ATOM 61343 OH2 TIP3 18345 13.102 38.438 43.026 1.00 0.00 WAT +ATOM 61344 H1 TIP3 18345 13.528 38.101 42.223 1.00 0.00 WAT +ATOM 61345 H2 TIP3 18345 13.358 39.384 42.993 1.00 0.00 WAT +ATOM 61346 OH2 TIP3 18346 31.231 34.553 33.763 1.00 0.00 WAT +ATOM 61347 H1 TIP3 18346 31.681 33.853 33.271 1.00 0.00 WAT +ATOM 61348 H2 TIP3 18346 31.951 35.174 33.947 1.00 0.00 WAT +ATOM 61349 OH2 TIP3 18347 13.656 34.467 36.933 1.00 0.00 WAT +ATOM 61350 H1 TIP3 18347 12.707 34.525 36.727 1.00 0.00 WAT +ATOM 61351 H2 TIP3 18347 14.059 35.082 36.288 1.00 0.00 WAT +ATOM 61352 OH2 TIP3 18348 23.563 34.394 41.241 1.00 0.00 WAT +ATOM 61353 H1 TIP3 18348 22.971 33.673 41.533 1.00 0.00 WAT +ATOM 61354 H2 TIP3 18348 24.260 33.892 40.768 1.00 0.00 WAT +ATOM 61355 OH2 TIP3 18349 28.530 33.141 41.447 1.00 0.00 WAT +ATOM 61356 H1 TIP3 18349 29.362 32.669 41.329 1.00 0.00 WAT +ATOM 61357 H2 TIP3 18349 27.838 32.492 41.299 1.00 0.00 WAT +ATOM 61358 OH2 TIP3 18350 30.732 33.367 39.555 1.00 0.00 WAT +ATOM 61359 H1 TIP3 18350 31.471 33.108 38.988 1.00 0.00 WAT +ATOM 61360 H2 TIP3 18350 30.928 34.299 39.758 1.00 0.00 WAT +ATOM 61361 OH2 TIP3 18351 15.950 33.013 38.877 1.00 0.00 WAT +ATOM 61362 H1 TIP3 18351 15.094 32.871 38.427 1.00 0.00 WAT +ATOM 61363 H2 TIP3 18351 16.380 32.150 38.733 1.00 0.00 WAT +ATOM 61364 OH2 TIP3 18352 14.774 32.498 34.776 1.00 0.00 WAT +ATOM 61365 H1 TIP3 18352 15.273 33.161 34.261 1.00 0.00 WAT +ATOM 61366 H2 TIP3 18352 14.356 33.043 35.461 1.00 0.00 WAT +ATOM 61367 OH2 TIP3 18353 20.463 32.766 38.899 1.00 0.00 WAT +ATOM 61368 H1 TIP3 18353 21.353 33.120 38.734 1.00 0.00 WAT +ATOM 61369 H2 TIP3 18353 20.471 32.687 39.863 1.00 0.00 WAT +ATOM 61370 OH2 TIP3 18354 25.742 32.925 39.989 1.00 0.00 WAT +ATOM 61371 H1 TIP3 18354 26.246 32.640 39.220 1.00 0.00 WAT +ATOM 61372 H2 TIP3 18354 25.570 32.088 40.450 1.00 0.00 WAT +ATOM 61373 OH2 TIP3 18355 27.392 32.909 35.902 1.00 0.00 WAT +ATOM 61374 H1 TIP3 18355 26.599 33.484 35.925 1.00 0.00 WAT +ATOM 61375 H2 TIP3 18355 27.019 32.067 36.200 1.00 0.00 WAT +ATOM 61376 OH2 TIP3 18356 16.473 34.324 33.209 1.00 0.00 WAT +ATOM 61377 H1 TIP3 18356 17.076 33.762 32.692 1.00 0.00 WAT +ATOM 61378 H2 TIP3 18356 17.074 34.649 33.907 1.00 0.00 WAT +ATOM 61379 OH2 TIP3 18357 21.604 34.505 35.813 1.00 0.00 WAT +ATOM 61380 H1 TIP3 18357 21.944 33.953 36.537 1.00 0.00 WAT +ATOM 61381 H2 TIP3 18357 21.737 35.382 36.205 1.00 0.00 WAT +ATOM 61382 OH2 TIP3 18358 41.947 41.015 42.430 1.00 0.00 WAT +ATOM 61383 H1 TIP3 18358 42.728 41.150 42.995 1.00 0.00 WAT +ATOM 61384 H2 TIP3 18358 42.358 40.865 41.574 1.00 0.00 WAT +ATOM 61385 OH2 TIP3 18359 32.811 38.886 37.737 1.00 0.00 WAT +ATOM 61386 H1 TIP3 18359 32.351 39.735 37.869 1.00 0.00 WAT +ATOM 61387 H2 TIP3 18359 32.084 38.311 37.478 1.00 0.00 WAT +ATOM 61388 OH2 TIP3 18360 33.707 41.288 39.736 1.00 0.00 WAT +ATOM 61389 H1 TIP3 18360 33.732 40.534 40.356 1.00 0.00 WAT +ATOM 61390 H2 TIP3 18360 34.517 41.115 39.245 1.00 0.00 WAT +ATOM 61391 OH2 TIP3 18361 37.350 36.036 40.414 1.00 0.00 WAT +ATOM 61392 H1 TIP3 18361 37.558 36.889 39.991 1.00 0.00 WAT +ATOM 61393 H2 TIP3 18361 36.999 35.543 39.655 1.00 0.00 WAT +ATOM 61394 OH2 TIP3 18362 34.326 38.705 40.983 1.00 0.00 WAT +ATOM 61395 H1 TIP3 18362 34.771 38.112 41.594 1.00 0.00 WAT +ATOM 61396 H2 TIP3 18362 34.360 38.197 40.154 1.00 0.00 WAT +ATOM 61397 OH2 TIP3 18363 39.416 40.135 40.563 1.00 0.00 WAT +ATOM 61398 H1 TIP3 18363 40.161 39.563 40.848 1.00 0.00 WAT +ATOM 61399 H2 TIP3 18363 38.940 39.523 39.974 1.00 0.00 WAT +ATOM 61400 OH2 TIP3 18364 36.586 36.938 42.988 1.00 0.00 WAT +ATOM 61401 H1 TIP3 18364 36.496 37.873 42.780 1.00 0.00 WAT +ATOM 61402 H2 TIP3 18364 36.587 36.500 42.116 1.00 0.00 WAT +ATOM 61403 OH2 TIP3 18365 40.306 32.390 41.651 1.00 0.00 WAT +ATOM 61404 H1 TIP3 18365 40.283 31.443 41.856 1.00 0.00 WAT +ATOM 61405 H2 TIP3 18365 39.563 32.723 42.189 1.00 0.00 WAT +ATOM 61406 OH2 TIP3 18366 42.685 41.248 36.301 1.00 0.00 WAT +ATOM 61407 H1 TIP3 18366 41.998 41.898 36.058 1.00 0.00 WAT +ATOM 61408 H2 TIP3 18366 43.325 41.405 35.606 1.00 0.00 WAT +ATOM 61409 OH2 TIP3 18367 42.851 39.414 33.635 1.00 0.00 WAT +ATOM 61410 H1 TIP3 18367 43.729 39.700 33.927 1.00 0.00 WAT +ATOM 61411 H2 TIP3 18367 42.998 39.131 32.728 1.00 0.00 WAT +ATOM 61412 OH2 TIP3 18368 37.425 42.037 39.374 1.00 0.00 WAT +ATOM 61413 H1 TIP3 18368 37.347 41.785 38.438 1.00 0.00 WAT +ATOM 61414 H2 TIP3 18368 38.285 41.650 39.609 1.00 0.00 WAT +ATOM 61415 OH2 TIP3 18369 37.841 40.820 42.866 1.00 0.00 WAT +ATOM 61416 H1 TIP3 18369 38.501 40.795 42.149 1.00 0.00 WAT +ATOM 61417 H2 TIP3 18369 38.216 41.448 43.497 1.00 0.00 WAT +ATOM 61418 OH2 TIP3 18370 36.496 40.870 36.769 1.00 0.00 WAT +ATOM 61419 H1 TIP3 18370 36.306 41.662 36.225 1.00 0.00 WAT +ATOM 61420 H2 TIP3 18370 35.805 40.255 36.497 1.00 0.00 WAT +ATOM 61421 OH2 TIP3 18371 37.890 33.298 42.919 1.00 0.00 WAT +ATOM 61422 H1 TIP3 18371 37.047 33.235 42.437 1.00 0.00 WAT +ATOM 61423 H2 TIP3 18371 37.975 34.254 43.101 1.00 0.00 WAT +ATOM 61424 OH2 TIP3 18372 42.159 35.511 33.260 1.00 0.00 WAT +ATOM 61425 H1 TIP3 18372 41.713 35.519 34.110 1.00 0.00 WAT +ATOM 61426 H2 TIP3 18372 41.894 34.673 32.880 1.00 0.00 WAT +ATOM 61427 OH2 TIP3 18373 37.752 38.354 38.835 1.00 0.00 WAT +ATOM 61428 H1 TIP3 18373 36.795 38.269 38.674 1.00 0.00 WAT +ATOM 61429 H2 TIP3 18373 38.104 38.160 37.949 1.00 0.00 WAT +ATOM 61430 OH2 TIP3 18374 42.710 38.874 38.334 1.00 0.00 WAT +ATOM 61431 H1 TIP3 18374 42.661 39.796 38.032 1.00 0.00 WAT +ATOM 61432 H2 TIP3 18374 43.644 38.749 38.554 1.00 0.00 WAT +ATOM 61433 OH2 TIP3 18375 38.724 35.656 32.271 1.00 0.00 WAT +ATOM 61434 H1 TIP3 18375 38.338 35.564 33.163 1.00 0.00 WAT +ATOM 61435 H2 TIP3 18375 38.092 36.239 31.838 1.00 0.00 WAT +ATOM 61436 OH2 TIP3 18376 32.084 36.012 39.395 1.00 0.00 WAT +ATOM 61437 H1 TIP3 18376 32.583 35.907 40.226 1.00 0.00 WAT +ATOM 61438 H2 TIP3 18376 32.569 35.465 38.765 1.00 0.00 WAT +ATOM 61439 OH2 TIP3 18377 33.517 36.285 35.083 1.00 0.00 WAT +ATOM 61440 H1 TIP3 18377 34.083 36.774 34.452 1.00 0.00 WAT +ATOM 61441 H2 TIP3 18377 32.862 36.973 35.306 1.00 0.00 WAT +ATOM 61442 OH2 TIP3 18378 40.412 35.790 39.834 1.00 0.00 WAT +ATOM 61443 H1 TIP3 18378 39.508 35.848 40.182 1.00 0.00 WAT +ATOM 61444 H2 TIP3 18378 40.920 35.825 40.662 1.00 0.00 WAT +ATOM 61445 OH2 TIP3 18379 35.108 37.169 38.506 1.00 0.00 WAT +ATOM 61446 H1 TIP3 18379 34.264 37.434 38.101 1.00 0.00 WAT +ATOM 61447 H2 TIP3 18379 35.361 36.372 38.007 1.00 0.00 WAT +ATOM 61448 OH2 TIP3 18380 38.760 37.436 36.150 1.00 0.00 WAT +ATOM 61449 H1 TIP3 18380 39.705 37.623 36.278 1.00 0.00 WAT +ATOM 61450 H2 TIP3 18380 38.479 38.091 35.489 1.00 0.00 WAT +ATOM 61451 OH2 TIP3 18381 37.196 38.660 33.917 1.00 0.00 WAT +ATOM 61452 H1 TIP3 18381 36.675 38.481 33.117 1.00 0.00 WAT +ATOM 61453 H2 TIP3 18381 38.025 38.981 33.522 1.00 0.00 WAT +ATOM 61454 OH2 TIP3 18382 41.219 38.148 41.486 1.00 0.00 WAT +ATOM 61455 H1 TIP3 18382 41.993 37.857 40.991 1.00 0.00 WAT +ATOM 61456 H2 TIP3 18382 41.501 37.959 42.398 1.00 0.00 WAT +ATOM 61457 OH2 TIP3 18383 36.812 34.870 37.720 1.00 0.00 WAT +ATOM 61458 H1 TIP3 18383 36.287 34.106 38.011 1.00 0.00 WAT +ATOM 61459 H2 TIP3 18383 37.695 34.492 37.617 1.00 0.00 WAT +ATOM 61460 OH2 TIP3 18384 40.675 43.335 35.926 1.00 0.00 WAT +ATOM 61461 H1 TIP3 18384 39.935 42.914 35.445 1.00 0.00 WAT +ATOM 61462 H2 TIP3 18384 40.435 43.213 36.852 1.00 0.00 WAT +ATOM 61463 OH2 TIP3 18385 35.946 42.365 41.652 1.00 0.00 WAT +ATOM 61464 H1 TIP3 18385 36.555 42.367 40.883 1.00 0.00 WAT +ATOM 61465 H2 TIP3 18385 36.302 41.596 42.135 1.00 0.00 WAT +ATOM 61466 OH2 TIP3 18386 34.095 40.929 33.433 1.00 0.00 WAT +ATOM 61467 H1 TIP3 18386 34.682 41.542 33.903 1.00 0.00 WAT +ATOM 61468 H2 TIP3 18386 33.241 41.105 33.880 1.00 0.00 WAT +ATOM 61469 OH2 TIP3 18387 35.835 -43.863 35.286 1.00 0.00 WAT +ATOM 61470 H1 TIP3 18387 34.933 -43.511 35.425 1.00 0.00 WAT +ATOM 61471 H2 TIP3 18387 36.305 -43.061 35.013 1.00 0.00 WAT +ATOM 61472 OH2 TIP3 18388 41.413 36.778 37.228 1.00 0.00 WAT +ATOM 61473 H1 TIP3 18388 41.996 37.500 37.556 1.00 0.00 WAT +ATOM 61474 H2 TIP3 18388 41.035 36.523 38.091 1.00 0.00 WAT +ATOM 61475 OH2 TIP3 18389 41.843 33.947 38.294 1.00 0.00 WAT +ATOM 61476 H1 TIP3 18389 41.622 34.600 38.998 1.00 0.00 WAT +ATOM 61477 H2 TIP3 18389 42.741 34.242 38.074 1.00 0.00 WAT +ATOM 61478 OH2 TIP3 18390 37.785 34.902 34.734 1.00 0.00 WAT +ATOM 61479 H1 TIP3 18390 37.536 35.659 35.294 1.00 0.00 WAT +ATOM 61480 H2 TIP3 18390 38.628 34.658 35.167 1.00 0.00 WAT +ATOM 61481 OH2 TIP3 18391 34.222 37.992 32.907 1.00 0.00 WAT +ATOM 61482 H1 TIP3 18391 34.378 38.928 33.117 1.00 0.00 WAT +ATOM 61483 H2 TIP3 18391 33.335 38.012 32.529 1.00 0.00 WAT +ATOM 61484 OH2 TIP3 18392 35.126 33.005 41.708 1.00 0.00 WAT +ATOM 61485 H1 TIP3 18392 34.939 33.020 40.750 1.00 0.00 WAT +ATOM 61486 H2 TIP3 18392 34.789 32.143 41.986 1.00 0.00 WAT +ATOM 61487 OH2 TIP3 18393 38.730 41.653 34.620 1.00 0.00 WAT +ATOM 61488 H1 TIP3 18393 38.148 41.123 35.179 1.00 0.00 WAT +ATOM 61489 H2 TIP3 18393 39.026 41.008 33.952 1.00 0.00 WAT +ATOM 61490 OH2 TIP3 18394 39.775 39.555 32.954 1.00 0.00 WAT +ATOM 61491 H1 TIP3 18394 39.759 39.610 31.976 1.00 0.00 WAT +ATOM 61492 H2 TIP3 18394 40.734 39.621 33.121 1.00 0.00 WAT +ATOM 61493 OH2 TIP3 18395 32.742 41.348 42.680 1.00 0.00 WAT +ATOM 61494 H1 TIP3 18395 32.923 41.889 41.901 1.00 0.00 WAT +ATOM 61495 H2 TIP3 18395 33.518 41.514 43.239 1.00 0.00 WAT +ATOM 61496 OH2 TIP3 18396 33.580 35.604 41.894 1.00 0.00 WAT +ATOM 61497 H1 TIP3 18396 33.835 34.679 42.049 1.00 0.00 WAT +ATOM 61498 H2 TIP3 18396 34.103 36.037 42.579 1.00 0.00 WAT +ATOM 61499 OH2 TIP3 18397 31.935 38.446 43.020 1.00 0.00 WAT +ATOM 61500 H1 TIP3 18397 32.398 38.086 42.249 1.00 0.00 WAT +ATOM 61501 H2 TIP3 18397 32.227 39.380 42.997 1.00 0.00 WAT +ATOM 61502 OH2 TIP3 18398 32.499 34.388 36.885 1.00 0.00 WAT +ATOM 61503 H1 TIP3 18398 31.537 34.509 36.765 1.00 0.00 WAT +ATOM 61504 H2 TIP3 18398 32.880 35.069 36.297 1.00 0.00 WAT +ATOM 61505 OH2 TIP3 18399 42.609 34.192 41.169 1.00 0.00 WAT +ATOM 61506 H1 TIP3 18399 41.967 33.647 41.654 1.00 0.00 WAT +ATOM 61507 H2 TIP3 18399 43.113 33.521 40.706 1.00 0.00 WAT +ATOM 61508 OH2 TIP3 18400 34.782 33.004 38.845 1.00 0.00 WAT +ATOM 61509 H1 TIP3 18400 33.935 32.837 38.391 1.00 0.00 WAT +ATOM 61510 H2 TIP3 18400 35.221 32.139 38.751 1.00 0.00 WAT +ATOM 61511 OH2 TIP3 18401 33.492 32.533 34.719 1.00 0.00 WAT +ATOM 61512 H1 TIP3 18401 34.086 33.151 34.251 1.00 0.00 WAT +ATOM 61513 H2 TIP3 18401 33.225 33.064 35.491 1.00 0.00 WAT +ATOM 61514 OH2 TIP3 18402 39.310 32.793 38.873 1.00 0.00 WAT +ATOM 61515 H1 TIP3 18402 40.203 33.158 38.725 1.00 0.00 WAT +ATOM 61516 H2 TIP3 18402 39.333 32.702 39.840 1.00 0.00 WAT +ATOM 61517 OH2 TIP3 18403 35.315 34.307 33.167 1.00 0.00 WAT +ATOM 61518 H1 TIP3 18403 35.968 33.799 32.660 1.00 0.00 WAT +ATOM 61519 H2 TIP3 18403 35.871 34.713 33.854 1.00 0.00 WAT +ATOM 61520 OH2 TIP3 18404 40.378 34.381 35.754 1.00 0.00 WAT +ATOM 61521 H1 TIP3 18404 40.687 33.844 36.507 1.00 0.00 WAT +ATOM 61522 H2 TIP3 18404 40.533 35.273 36.114 1.00 0.00 WAT +ATOM 61523 SOD SOD 1 20.361 26.540 1.534 1.00 0.00 SOD +ATOM 61524 SOD SOD 2 29.491 20.058 -18.991 1.00 0.00 SOD +ATOM 61525 SOD SOD 3 -28.219 -18.225 -16.801 1.00 0.00 SOD +ATOM 61526 SOD SOD 4 3.972 43.148 2.064 1.00 0.00 SOD +ATOM 61527 SOD SOD 5 10.164 -14.302 -19.212 1.00 0.00 SOD +ATOM 61528 SOD SOD 6 -28.564 -10.531 -7.537 1.00 0.00 SOD +ATOM 61529 SOD SOD 7 0.943 3.701 41.921 1.00 0.00 SOD +ATOM 61530 SOD SOD 8 29.081 -21.054 -29.327 1.00 0.00 SOD +ATOM 61531 SOD SOD 9 -1.462 -31.326 -18.460 1.00 0.00 SOD +ATOM 61532 SOD SOD 10 15.342 -4.981 18.906 1.00 0.00 SOD +ATOM 61533 SOD SOD 11 -15.976 -24.894 14.626 1.00 0.00 SOD +ATOM 61534 SOD SOD 12 -29.354 -10.849 -28.278 1.00 0.00 SOD +ATOM 61535 SOD SOD 13 35.117 -17.221 10.062 1.00 0.00 SOD +ATOM 61536 SOD SOD 14 -18.849 -37.239 10.310 1.00 0.00 SOD +ATOM 61537 SOD SOD 15 -22.247 3.396 20.265 1.00 0.00 SOD +ATOM 61538 SOD SOD 16 32.687 7.468 -9.484 1.00 0.00 SOD +ATOM 61539 SOD SOD 17 31.575 -9.505 18.511 1.00 0.00 SOD +ATOM 61540 SOD SOD 18 18.886 8.731 -19.236 1.00 0.00 SOD +ATOM 61541 SOD SOD 19 -5.582 -8.502 36.189 1.00 0.00 SOD +ATOM 61542 SOD SOD 20 8.582 13.054 -26.348 1.00 0.00 SOD +ATOM 61543 SOD SOD 21 -32.090 33.701 16.636 1.00 0.00 SOD +ATOM 61544 SOD SOD 22 -4.218 25.148 -42.717 1.00 0.00 SOD +ATOM 61545 SOD SOD 23 -18.787 40.141 4.092 1.00 0.00 SOD +ATOM 61546 SOD SOD 24 -33.579 -22.453 -38.111 1.00 0.00 SOD +ATOM 61547 SOD SOD 25 -32.989 -3.245 14.748 1.00 0.00 SOD +ATOM 61548 SOD SOD 26 -9.524 -23.032 -17.710 1.00 0.00 SOD +ATOM 61549 SOD SOD 27 29.109 -10.524 -27.579 1.00 0.00 SOD +ATOM 61550 SOD SOD 28 -2.673 -33.060 42.625 1.00 0.00 SOD +ATOM 61551 SOD SOD 29 9.179 36.953 -18.986 1.00 0.00 SOD +ATOM 61552 SOD SOD 30 -42.990 -4.306 -26.671 1.00 0.00 SOD +ATOM 61553 SOD SOD 31 -7.179 16.523 28.896 1.00 0.00 SOD +ATOM 61554 SOD SOD 32 -0.199 -21.699 1.309 1.00 0.00 SOD +ATOM 61555 SOD SOD 33 31.999 1.241 22.210 1.00 0.00 SOD +ATOM 61556 SOD SOD 34 34.265 19.300 -3.416 1.00 0.00 SOD +ATOM 61557 SOD SOD 35 25.971 10.857 25.276 1.00 0.00 SOD +ATOM 61558 SOD SOD 36 38.698 6.688 41.272 1.00 0.00 SOD +ATOM 61559 SOD SOD 37 -41.678 -34.290 -14.129 1.00 0.00 SOD +ATOM 61560 SOD SOD 38 5.508 -23.552 -1.709 1.00 0.00 SOD +ATOM 61561 SOD SOD 39 -28.037 7.738 10.278 1.00 0.00 SOD +ATOM 61562 SOD SOD 40 28.386 -34.869 30.612 1.00 0.00 SOD +ATOM 61563 SOD SOD 41 4.751 -22.681 14.542 1.00 0.00 SOD +ATOM 61564 SOD SOD 42 -0.466 27.949 -15.942 1.00 0.00 SOD +ATOM 61565 SOD SOD 43 -31.195 17.849 -1.745 1.00 0.00 SOD +ATOM 61566 SOD SOD 44 36.918 35.647 25.682 1.00 0.00 SOD +ATOM 61567 SOD SOD 45 11.596 -26.774 4.052 1.00 0.00 SOD +ATOM 61568 SOD SOD 46 21.816 20.976 -43.584 1.00 0.00 SOD +ATOM 61569 SOD SOD 47 24.994 -35.520 36.224 1.00 0.00 SOD +ATOM 61570 SOD SOD 48 -31.499 26.368 25.454 1.00 0.00 SOD +ATOM 61571 SOD SOD 49 -36.110 -13.693 -3.037 1.00 0.00 SOD +ATOM 61572 SOD SOD 50 31.787 42.168 -19.139 1.00 0.00 SOD +ATOM 61573 SOD SOD 51 -15.439 33.850 39.849 1.00 0.00 SOD +ATOM 61574 SOD SOD 52 39.059 32.261 32.862 1.00 0.00 SOD +ATOM 61575 SOD SOD 53 -14.003 12.584 -25.422 1.00 0.00 SOD +ATOM 61576 SOD SOD 54 6.242 40.435 24.212 1.00 0.00 SOD +ATOM 61577 SOD SOD 55 -5.725 -39.521 28.072 1.00 0.00 SOD +ATOM 61578 SOD SOD 56 -22.872 24.961 -14.858 1.00 0.00 SOD +ATOM 61579 SOD SOD 57 -42.958 -13.533 41.171 1.00 0.00 SOD +ATOM 61580 SOD SOD 58 40.091 23.331 -15.431 1.00 0.00 SOD +ATOM 61581 SOD SOD 59 39.812 37.813 -33.929 1.00 0.00 SOD +ATOM 61582 SOD SOD 60 -28.009 -9.017 21.311 1.00 0.00 SOD +ATOM 61583 SOD SOD 61 0.539 21.412 -31.234 1.00 0.00 SOD +ATOM 61584 SOD SOD 62 17.422 -16.946 -36.839 1.00 0.00 SOD +ATOM 61585 SOD SOD 63 -13.279 36.770 31.724 1.00 0.00 SOD +ATOM 61586 SOD SOD 64 20.225 -15.504 18.706 1.00 0.00 SOD +ATOM 61587 SOD SOD 65 -37.808 18.109 27.063 1.00 0.00 SOD +ATOM 61588 SOD SOD 66 -15.635 7.243 26.242 1.00 0.00 SOD +ATOM 61589 SOD SOD 67 -14.575 -14.376 19.163 1.00 0.00 SOD +ATOM 61590 SOD SOD 68 39.382 -14.954 -1.041 1.00 0.00 SOD +ATOM 61591 SOD SOD 69 -41.772 6.851 -31.564 1.00 0.00 SOD +ATOM 61592 SOD SOD 70 -34.752 -25.567 33.644 1.00 0.00 SOD +ATOM 61593 SOD SOD 71 38.435 -17.035 19.450 1.00 0.00 SOD +ATOM 61594 SOD SOD 72 -30.647 11.306 -31.417 1.00 0.00 SOD +ATOM 61595 SOD SOD 73 29.112 30.907 32.539 1.00 0.00 SOD +ATOM 61596 SOD SOD 74 -1.460 -34.465 -34.679 1.00 0.00 SOD +ATOM 61597 SOD SOD 75 41.422 11.502 21.285 1.00 0.00 SOD +ATOM 61598 CLA CLA 1 37.227 39.315 -4.320 1.00 0.00 CLA +ATOM 61599 CLA CLA 2 5.975 -34.097 -14.115 1.00 0.00 CLA +ATOM 61600 CLA CLA 3 3.049 -40.330 0.268 1.00 0.00 CLA +ATOM 61601 CLA CLA 4 -29.182 -19.908 -21.287 1.00 0.00 CLA +ATOM 61602 CLA CLA 5 32.119 26.809 -14.613 1.00 0.00 CLA +ATOM 61603 CLA CLA 6 -12.762 38.902 39.703 1.00 0.00 CLA +ATOM 61604 CLA CLA 7 -41.352 -6.310 -21.092 1.00 0.00 CLA +ATOM 61605 CLA CLA 8 -40.105 19.915 21.883 1.00 0.00 CLA +ATOM 61606 CLA CLA 9 -37.875 -10.640 -26.651 1.00 0.00 CLA +ATOM 61607 CLA CLA 10 -22.511 41.548 12.784 1.00 0.00 CLA +ATOM 61608 CLA CLA 11 35.216 33.731 -35.093 1.00 0.00 CLA +ATOM 61609 CLA CLA 12 -40.102 5.647 -2.397 1.00 0.00 CLA +ATOM 61610 CLA CLA 13 39.024 -12.398 -40.371 1.00 0.00 CLA +ATOM 61611 CLA CLA 14 18.261 -39.450 23.742 1.00 0.00 CLA +ATOM 61612 CLA CLA 15 6.178 41.435 -35.101 1.00 0.00 CLA +ATOM 61613 CLA CLA 16 24.358 15.109 39.388 1.00 0.00 CLA +ATOM 61614 CLA CLA 17 6.888 21.632 -18.643 1.00 0.00 CLA +ATOM 61615 CLA CLA 18 21.744 6.136 36.952 1.00 0.00 CLA +ATOM 61616 CLA CLA 19 37.313 -8.363 36.386 1.00 0.00 CLA +ATOM 61617 CLA CLA 20 -2.999 -20.832 23.104 1.00 0.00 CLA +ATOM 61618 CLA CLA 21 2.857 18.626 -27.815 1.00 0.00 CLA +ATOM 61619 CLA CLA 22 4.436 -15.917 42.798 1.00 0.00 CLA +ATOM 61620 CLA CLA 23 -36.824 -9.651 27.515 1.00 0.00 CLA +ATOM 61621 CLA CLA 24 30.595 -26.534 -13.854 1.00 0.00 CLA +ATOM 61622 CLA CLA 25 2.683 14.798 30.965 1.00 0.00 CLA +ATOM 61623 CLA CLA 26 29.848 -11.446 -12.895 1.00 0.00 CLA +ATOM 61624 CLA CLA 27 42.574 -16.385 39.148 1.00 0.00 CLA +ATOM 61625 CLA CLA 28 21.090 22.680 27.072 1.00 0.00 CLA +ATOM 61626 CLA CLA 29 31.477 21.841 -9.460 1.00 0.00 CLA +ATOM 61627 CLA CLA 30 -42.789 33.106 -42.003 1.00 0.00 CLA +ATOM 61628 CLA CLA 31 41.212 26.460 28.038 1.00 0.00 CLA +ATOM 61629 CLA CLA 32 31.330 -23.211 30.873 1.00 0.00 CLA +ATOM 61630 CLA CLA 33 -11.882 24.746 17.676 1.00 0.00 CLA +ATOM 61631 CLA CLA 34 42.509 41.966 29.673 1.00 0.00 CLA +ATOM 61632 CLA CLA 35 -21.155 -25.909 40.988 1.00 0.00 CLA +ATOM 61633 CLA CLA 36 -16.645 33.397 -20.493 1.00 0.00 CLA +ATOM 61634 CLA CLA 37 24.008 16.848 3.761 1.00 0.00 CLA +ATOM 61635 CLA CLA 38 -3.042 -26.229 -6.954 1.00 0.00 CLA +ATOM 61636 CLA CLA 39 -25.242 -29.525 -14.531 1.00 0.00 CLA +ATOM 61637 CLA CLA 40 34.942 -28.883 -36.691 1.00 0.00 CLA +ATOM 61638 CLA CLA 41 -35.913 -6.707 3.266 1.00 0.00 CLA +ATOM 61639 CLA CLA 42 -30.968 4.607 -32.953 1.00 0.00 CLA +ATOM 61640 CLA CLA 43 -5.809 15.242 42.418 1.00 0.00 CLA +ATOM 61641 CLA CLA 44 39.399 18.809 -13.827 1.00 0.00 CLA +ATOM 61642 CLA CLA 45 -15.805 29.210 -37.376 1.00 0.00 CLA +ATOM 61643 CLA CLA 46 0.091 -36.491 -34.859 1.00 0.00 CLA +ATOM 61644 CLA CLA 47 -12.875 -40.099 38.366 1.00 0.00 CLA +ATOM 61645 CLA CLA 48 -24.191 19.188 36.959 1.00 0.00 CLA +ATOM 61646 CLA CLA 49 16.215 -18.186 -29.406 1.00 0.00 CLA +ATOM 61647 CLA CLA 50 34.647 -7.708 -32.869 1.00 0.00 CLA +ATOM 61648 CLA CLA 51 -20.320 -38.996 6.847 1.00 0.00 CLA +ATOM 61649 CLA CLA 52 -28.453 0.614 -25.838 1.00 0.00 CLA +TER 61650 CLA 52 +END diff -r 000000000000 -r 0f270722aca6 test-data/test.xtc Binary file test-data/test.xtc has changed diff -r 000000000000 -r 0f270722aca6 test-data/test.yml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.yml Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,36 @@ +ramachandran1: + phi: + atom1: + segid: HET + resid: 3 + name: O5 + atom2: + segid: HET + resid: 3 + name: C1 + atom3: + segid: HET + resid: 2 + name: O4 + atom4: + segid: HET + resid: 2 + name: C4 + psi: + atom1: + segid: HET + resid: 3 + name: C1 + atom2: + segid: HET + resid: 2 + name: O4 + atom3: + segid: HET + resid: 2 + name: C4 + atom4: + segid: HET + resid: 2 + name: C5 + comment: pick visually using VMD using labels. Go to labels, dihedral to see the information about resname resid and atomname and then lookup the segname for ach atom.