Mercurial > repos > bgruening > openduck_run_smd
changeset 0:05c95b16823b draft default tip
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openduck commit a10eecd64de8f147547c4e3929497f87773c43f9"
| author | bgruening |
|---|---|
| date | Thu, 16 Apr 2020 08:25:46 -0400 |
| parents | |
| children | |
| files | macros.xml openduck_run_smd.xml test-data/1n2v_apo.pdb test-data/complex_system.pickle test-data/equil.chk test-data/ligand.mol test-data/ligand.pdb test-data/ligand_wqb.mol test-data/protein_out_prot.pdb |
| diffstat | 9 files changed, 4054 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Thu Apr 16 08:25:46 2020 -0400 @@ -0,0 +1,53 @@ +<macros> + <token name="@VERSION@">0.1.1</token> + <xml name="requirements"> + <requirements> + <requirement type="package" version="3.7">python</requirement> + <requirement type="package" version="0.25.2">yank</requirement> + <requirement type="package" version="1.6">pdbfixer</requirement> + <requirement type="package" version="0.6.0">openforcefield</requirement> + <requirement type="package" version="3.2.0">parmed</requirement> + <requirement type="package" version="@VERSION@">openduck</requirement> + </requirements> + </xml> + <xml name="interaction_params"> + <section name="ia" title="Parameters for the protein-ligand interaction" expanded="true"> + <param argument="chain_sel" type="text" label="Chain ID for selection" help="E.g. 'A', 'B', etc."> + <validator type="regex" message="Invalid chain ID">^[A-Z]$</validator> + </param> + <param argument="res_sel" type="text" label="Three letter residue code for selection" help="E.g. 'ASP', 'TYR', etc."> + <validator type="regex" message="Invalid chain ID">^[A-Z]{3}$</validator> + </param> + <param argument="resid_sel" type="text" label="Residue ID for selection" help="Position of residue in sequence, e.g. 163"> + <validator type="regex" message="Invalid chain ID">^[0-9]+$</validator> + </param> + <param argument="atom_sel" type="text" label="Atom to select within the chosen residue" help="E.g. 'OD2'"> + <validator type="regex" message="Invalid chain ID">^[A-Z0-9]+$</validator> + </param> + </section> + </xml> + <xml name="tar_param"> + <param argument="return_tar" type="boolean" checked="true" label="Return a tar file?" help="Return a tar file containing all files produced during the simulations."/> + </xml> + <xml name="tar_output"> + <data name="tar" format="tar" from_work_dir="allfiles.tar.gz" label="${tool.name} tarball"> + <filter>return_tar</filter> + </data> + </xml> + <xml name="citations"> + <citations> + <citation type="doi">10.1038/nchem.2660</citation> + <citation type="bibtex"> +@misc{Bradley2019, + author = {Bradley, Anthony}, + title = {OpenDUck source code}, + year = {2019}, + publisher = {GitHub}, + journal = {GitHub repository}, + howpublished = {URL: https://github.com/xchem/duck}, + commit = {b98bb78284e9c92837ac1e69fc2f06306ab1e28c} +} + </citation> + </citations> + </xml> +</macros>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/openduck_run_smd.xml Thu Apr 16 08:25:46 2020 -0400 @@ -0,0 +1,107 @@ +<tool id="openduck_run_smd" name="Run OpenDUck" version="@VERSION@"> + <description>steered molecular dynamics runs</description> + <macros> + <import>macros.xml</import> + </macros> + <expand macro="requirements" /> + <command detect_errors="exit_code"><![CDATA[ + ## to run on GPU set OPENDUCK_GPU_PARAM to something like "--gpu-id 1" + cp '$ligand' ./ligand.sdf && + + duck_prepare_sys + -p '$protein' + -l ./ligand.sdf + -c '$chunk' + ## -i is interaction, e.g. A_ASP_156_OD2 + -i '${ia.chain_sel}'_'${ia.res_sel}'_'${ia.resid_sel}'_'${ia.atom_sel}' + \${OPENDUCK_GPU_PARAM} && + + mv equil.chk eql.chk && + mv complex_system.pickle cs.pickle && + + duck_smd_runs + -i eql.chk + -p cs.pickle + -n '$num' + -l '$mdlen' + -d '$start_dist' + -v '$vel' + \${OPENDUCK_GPU_PARAM} && + #if $return_tar: + tar -czf allfiles.tar.gz --exclude=allfiles.tar.gz * && + #end if + get_wqb -l '$ligand' -o '$ligand_wqb' + ]]></command> + <inputs> + <param argument="protein" type="data" format='pdb' label="PDB file for apoprotein"/> + <param argument="chunk" type="data" format='pdb' label="Chunk (in PDB format)" help="PDB file produced by chunk tool."/> + <param argument="ligand" type="data" format='sdf,mol' label="SDF/MOL file containing a single ligand"/> + <expand macro="interaction_params" /> + <param argument="mdlen" type="float" min="0" value="0.05" label="MD run length (ns)" help="Length of initial MD run (prior to steered molecular dynamics runs)."/> + <param argument="start_dist" type="float" min="0" value="2.5" label="Starting distance" help="Initial length of the selected interaction between protein and ligand."/> + <param argument="num" type="integer" min="0" value="1" label="Number of SMD runs" help="Number of steered molecular dynamics runs to perform."/> + <param argument="vel" type="float" min="0" value="0.00001" label="Velocity" help="Distance (in angstroms) to perturb the system per simulation step in the SMD runs. Decreasing this value will increase simulation time."/> + <expand macro="tar_param" /> + </inputs> + <outputs> + <data name="ligand_wqb" format="sdf" label="SD-file with DUck score"/> + <expand macro="tar_output" /> + </outputs> + <tests> + <test expect_num_outputs="2"> + <param name="protein" value="1n2v_apo.pdb" /> + <param name="ligand" value="ligand.mol" /> + <param name="chunk" value="protein_out_prot.pdb" /> + <param name="chain_sel" value="A" /> + <param name="res_sel" value="ASP" /> + <param name="resid_sel" value="156" /> + <param name="atom_sel" value="OD2" /> + <param name="num" value="1" /> + <param name="mdlen" value="0.05" /> + <param name="start_dist" value="2.5" /> + <param name="vel" value="0.00001" /> + <output name="ligand_wqb" file="ligand_wqb.mol" lines_diff="2" /> + <output name="tar" > + <assert_contents> + <has_size value="6718500" delta="500"/> + </assert_contents> + </output> + </test> + </tests> + <help><![CDATA[ + +.. class:: infomark + +**What it does** + +Perform steered molecular dynamics runs for dynamic undocking (DUck), performing system preparation (topology calculation and minimization), an initial MD run, and SMD runs. + +This Galaxy tool uses OpenDUck, an open-source implementation of the original DUck method, using OpenMM and AmberTools. + +_____ + +.. class:: infomark + +**Input** + + - PDB file for apoprotein + - PDB file for chunk + - SDF/MOL file for ligand + - Parameters defining the protein-ligand interaction + - Parameters for MD and SMD runs + +_____ + + +.. class:: infomark + +**Output** + + - Ligand in SDF/MOL format, with added `<SCORE.DUCK_WQB>` parameter. + +A tar file is also produced as a optional output, containing all files produced by the tool. + + ]]></help> + + <expand macro="citations" /> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/1n2v_apo.pdb Thu Apr 16 08:25:46 2020 -0400 @@ -0,0 +1,3648 @@ +HEADER TRANSFERASE 24-OCT-02 1N2V +TITLE CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-BUTYL-5,6-DIHYDRO-1H- +TITLE 2 IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: TRNA-GUANINE TRANSGLYCOSYLASE, GUANINE INSERTION ENZYME, +COMPND 5 TGT; +COMPND 6 EC: 2.4.2.29; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; +SOURCE 3 ORGANISM_TAXID: 542; +SOURCE 4 GENE: TGT; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); +SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET9D +KEYWDS PROTEIN-LIGAND COMPLEX, TRANSFERASE +EXPDTA X-RAY DIFFRACTION +AUTHOR R.BRENK,L.NAERUM,U.GRAEDLER,H.-D.GERBER,G.A.GARCIA,K.REUTER, +AUTHOR 2 M.T.STUBBS,G.KLEBE +REVDAT 4 31-JAN-18 1N2V 1 REMARK +REVDAT 3 13-JUL-11 1N2V 1 VERSN +REVDAT 2 24-FEB-09 1N2V 1 VERSN +REVDAT 1 08-APR-03 1N2V 0 +JRNL AUTH R.BRENK,L.NAERUM,U.GRAEDLER,H.-D.GERBER,G.A.GARCIA,K.REUTER, +JRNL AUTH 2 M.T.STUBBS,G.KLEBE +JRNL TITL VIRTUAL SCREENING FOR SUBMICROMOLAR LEADS OF TRNA-GUANINE +JRNL TITL 2 TRANSGLYCOSYLASE BASED ON A NEW UNEXPECTED BINDING MODE +JRNL TITL 3 DETECTED BY CRYSTAL STRUCTURE ANALYSIS +JRNL REF J.MED.CHEM. V. 46 1133 2003 +JRNL REFN ISSN 0022-2623 +JRNL PMID 12646024 +JRNL DOI 10.1021/JM0209937 +REMARK 2 +REMARK 2 RESOLUTION. 2.10 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.8 +REMARK 3 NUMBER OF REFLECTIONS : 23607 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.188 +REMARK 3 FREE R VALUE : 0.233 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2380 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.12 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : 0.2000 +REMARK 3 BIN FREE R VALUE : 0.2340 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 65 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2902 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 16 +REMARK 3 SOLVENT ATOMS : 282 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.79000 +REMARK 3 B22 (A**2) : 0.29500 +REMARK 3 B33 (A**2) : 0.49500 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 1.00700 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.005 +REMARK 3 BOND ANGLES (DEGREES) : 1.209 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 1.450 ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.297 ; 2.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 2.107 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.998 ; 2.500 +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : NULL +REMARK 3 KSOL : NULL +REMARK 3 BSOL : NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM +REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM +REMARK 3 PARAMETER FILE 3 : ION.PARAM +REMARK 3 PARAMETER FILE 4 : LN4.PAR +REMARK 3 PARAMETER FILE 5 : NULL +REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP +REMARK 3 TOPOLOGY FILE 2 : WATER.TOP +REMARK 3 TOPOLOGY FILE 3 : ION.TOP +REMARK 3 TOPOLOGY FILE 4 : NULL +REMARK 3 TOPOLOGY FILE 5 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1N2V COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-OCT-02. +REMARK 100 THE DEPOSITION ID IS D_1000017449. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 28-SEP-00 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 8.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU300 +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 +REMARK 200 MONOCHROMATOR : YALE MIRROR +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23842 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 +REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 +REMARK 200 DATA REDUNDANCY : 3.700 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.09500 +REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 13.6000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.4 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS +REMARK 200 SOFTWARE USED: CNS +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 48.75 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.40 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 8000, TRIS, DMSO, DTT, PH 8.5, +REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 395K, TEMPERATURE +REMARK 280 295.0K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y,-Z +REMARK 290 3555 X+1/2,Y+1/2,Z +REMARK 290 4555 -X+1/2,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 45.53000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 32.19000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 45.53000 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 32.19000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 300 REMARK: PROTEIN IS A MONOMER +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA,PQS +REMARK 350 TOTAL BURIED SURFACE AREA: 4180 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 26460 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A 1 +REMARK 465 VAL A 2 +REMARK 465 GLU A 3 +REMARK 465 ALA A 4 +REMARK 465 THR A 5 +REMARK 465 ALA A 6 +REMARK 465 GLN A 7 +REMARK 465 GLU A 8 +REMARK 465 THR A 9 +REMARK 465 ASP A 10 +REMARK 465 ALA A 383 +REMARK 465 ARG A 384 +REMARK 465 ASN A 385 +REMARK 465 SER A 386 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 GLU A 22 107.74 -162.52 +REMARK 500 ALA A 48 57.28 -110.02 +REMARK 500 LYS A 52 115.78 -29.88 +REMARK 500 LEU A 76 -73.32 -93.28 +REMARK 500 ARG A 77 -73.51 -48.90 +REMARK 500 SER A 112 170.46 -56.79 +REMARK 500 LEU A 128 -74.77 -110.70 +REMARK 500 GLN A 203 -163.84 -123.51 +REMARK 500 SER A 205 -132.08 53.54 +REMARK 500 ALA A 232 59.84 -102.08 +REMARK 500 CYS A 281 148.19 -176.43 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 615 +REMARK 615 ZERO OCCUPANCY ATOM +REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO +REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS +REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 615 M RES C SSEQI +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 400 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS A 320 SG +REMARK 620 2 CYS A 318 SG 103.0 +REMARK 620 3 CYS A 323 SG 116.4 114.4 +REMARK 620 4 HIS A 349 ND1 117.2 105.7 100.2 +REMARK 620 N 1 2 3 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 400 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1ENU RELATED DB: PDB +REMARK 900 A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOGRAPHIC +REMARK 900 STUDIES OF INHIBITORS OF TRNA-GUANINE TRANSGLYCOSYLASE +REMARK 900 RELATED ID: 1PUD RELATED DB: PDB +REMARK 900 APO-STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE +DBREF 1N2V A 1 386 UNP P28720 TGT_ZYMMO 0 385 +SEQRES 1 A 386 MET VAL GLU ALA THR ALA GLN GLU THR ASP ARG PRO ARG +SEQRES 2 A 386 PHE SER PHE SER ILE ALA ALA ARG GLU GLY LYS ALA ARG +SEQRES 3 A 386 THR GLY THR ILE GLU MET LYS ARG GLY VAL ILE ARG THR +SEQRES 4 A 386 PRO ALA PHE MET PRO VAL GLY THR ALA ALA THR VAL LYS +SEQRES 5 A 386 ALA LEU LYS PRO GLU THR VAL ARG ALA THR GLY ALA ASP +SEQRES 6 A 386 ILE ILE LEU GLY ASN THR TYR HIS LEU MET LEU ARG PRO +SEQRES 7 A 386 GLY ALA GLU ARG ILE ALA LYS LEU GLY GLY LEU HIS SER +SEQRES 8 A 386 PHE MET GLY TRP ASP ARG PRO ILE LEU THR ASP SER GLY +SEQRES 9 A 386 GLY TYR GLN VAL MET SER LEU SER SER LEU THR LYS GLN +SEQRES 10 A 386 SER GLU GLU GLY VAL THR PHE LYS SER HIS LEU ASP GLY +SEQRES 11 A 386 SER ARG HIS MET LEU SER PRO GLU ARG SER ILE GLU ILE +SEQRES 12 A 386 GLN HIS LEU LEU GLY SER ASP ILE VAL MET ALA PHE ASP +SEQRES 13 A 386 GLU CYS THR PRO TYR PRO ALA THR PRO SER ARG ALA ALA +SEQRES 14 A 386 SER SER MET GLU ARG SER MET ARG TRP ALA LYS ARG SER +SEQRES 15 A 386 ARG ASP ALA PHE ASP SER ARG LYS GLU GLN ALA GLU ASN +SEQRES 16 A 386 ALA ALA LEU PHE GLY ILE GLN GLN GLY SER VAL PHE GLU +SEQRES 17 A 386 ASN LEU ARG GLN GLN SER ALA ASP ALA LEU ALA GLU ILE +SEQRES 18 A 386 GLY PHE ASP GLY TYR ALA VAL GLY GLY LEU ALA VAL GLY +SEQRES 19 A 386 GLU GLY GLN ASP GLU MET PHE ARG VAL LEU ASP PHE SER +SEQRES 20 A 386 VAL PRO MET LEU PRO ASP ASP LYS PRO HIS TYR LEU MET +SEQRES 21 A 386 GLY VAL GLY LYS PRO ASP ASP ILE VAL GLY ALA VAL GLU +SEQRES 22 A 386 ARG GLY ILE ASP MET PHE ASP CYS VAL LEU PRO THR ARG +SEQRES 23 A 386 SER GLY ARG ASN GLY GLN ALA PHE THR TRP ASP GLY PRO +SEQRES 24 A 386 ILE ASN ILE ARG ASN ALA ARG PHE SER GLU ASP LEU LYS +SEQRES 25 A 386 PRO LEU ASP SER GLU CYS HIS CYS ALA VAL CYS GLN LYS +SEQRES 26 A 386 TRP SER ARG ALA TYR ILE HIS HIS LEU ILE ARG ALA GLY +SEQRES 27 A 386 GLU ILE LEU GLY ALA MET LEU MET THR GLU HIS ASN ILE +SEQRES 28 A 386 ALA PHE TYR GLN GLN LEU MET GLN LYS ILE ARG ASP SER +SEQRES 29 A 386 ILE SER GLU GLY ARG PHE SER GLN PHE ALA GLN ASP PHE +SEQRES 30 A 386 ARG ALA ARG TYR PHE ALA ARG ASN SER +HET ZN A 400 1 +HETNAM ZN ZINC ION +FORMUL 2 ZN ZN 2+ +FORMUL 4 HOH *282(H2 O) +HELIX 1 1 LYS A 55 THR A 62 1 8 +HELIX 2 2 ASN A 70 ARG A 77 1 8 +HELIX 3 3 GLY A 79 LEU A 86 1 8 +HELIX 4 4 GLY A 88 GLY A 94 1 7 +HELIX 5 5 GLY A 104 MET A 109 1 6 +HELIX 6 6 SER A 136 GLY A 148 1 13 +HELIX 7 7 THR A 164 ARG A 189 1 26 +HELIX 8 8 ARG A 189 ALA A 196 1 8 +HELIX 9 9 PHE A 207 GLY A 222 1 16 +HELIX 10 10 GLY A 236 VAL A 248 1 13 +HELIX 11 11 PRO A 249 LEU A 251 5 3 +HELIX 12 12 LYS A 264 ARG A 274 1 11 +HELIX 13 13 VAL A 282 GLY A 291 1 10 +HELIX 14 14 ASN A 304 SER A 308 5 5 +HELIX 15 15 CYS A 320 TRP A 326 1 7 +HELIX 16 16 SER A 327 ALA A 337 1 11 +HELIX 17 17 GLU A 339 GLU A 367 1 29 +HELIX 18 18 ARG A 369 PHE A 382 1 14 +SHEET 1 A 3 PHE A 14 GLU A 22 0 +SHEET 2 A 3 ALA A 25 MET A 32 -1 O GLU A 31 N SER A 15 +SHEET 3 A 3 GLY A 35 THR A 39 -1 O ILE A 37 N ILE A 30 +SHEET 1 B 9 ALA A 41 MET A 43 0 +SHEET 2 B 9 MET A 278 ASP A 280 1 O PHE A 279 N MET A 43 +SHEET 3 B 9 HIS A 257 LEU A 259 1 N LEU A 259 O MET A 278 +SHEET 4 B 9 GLY A 225 VAL A 228 1 N VAL A 228 O TYR A 258 +SHEET 5 B 9 ALA A 197 GLN A 202 1 N GLN A 202 O ALA A 227 +SHEET 6 B 9 ILE A 151 MET A 153 1 N VAL A 152 O ALA A 197 +SHEET 7 B 9 ILE A 99 THR A 101 1 N THR A 101 O ILE A 151 +SHEET 8 B 9 ILE A 67 GLY A 69 1 N GLY A 69 O LEU A 100 +SHEET 9 B 9 VAL A 45 GLY A 46 1 N GLY A 46 O LEU A 68 +SHEET 1 C 3 SER A 113 GLN A 117 0 +SHEET 2 C 3 VAL A 122 LYS A 125 -1 O THR A 123 N LYS A 116 +SHEET 3 C 3 ARG A 132 LEU A 135 -1 O LEU A 135 N VAL A 122 +SHEET 1 D 2 GLN A 292 ALA A 293 0 +SHEET 2 D 2 ILE A 300 ASN A 301 -1 O ILE A 300 N ALA A 293 +LINK ZN ZN A 400 SG CYS A 320 1555 1555 2.24 +LINK ZN ZN A 400 SG CYS A 318 1555 1555 2.30 +LINK ZN ZN A 400 SG CYS A 323 1555 1555 2.23 +LINK ZN ZN A 400 ND1 HIS A 349 1555 1555 2.16 +CISPEP 1 THR A 39 PRO A 40 0 0.13 +CISPEP 2 TYR A 161 PRO A 162 0 -0.06 +SITE 1 AC1 4 CYS A 318 CYS A 320 CYS A 323 HIS A 349 +SITE 1 AC2 13 TYR A 106 ASP A 156 CYS A 158 ILE A 201 +SITE 2 AC2 13 GLN A 203 GLY A 229 GLY A 230 MET A 260 +SITE 3 AC2 13 GLY A 261 HOH A1400 HOH A1401 HOH A1403 +SITE 4 AC2 13 HOH A1404 +CRYST1 91.060 64.380 70.770 90.00 96.50 90.00 C 1 2 1 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.010982 0.000000 0.001251 0.00000 +SCALE2 0.000000 0.015533 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.014222 0.00000 +ATOM 1 N ARG A 11 7.468 -10.777 25.571 1.00 30.72 N +ATOM 2 CA ARG A 11 8.797 -10.130 25.757 1.00 28.18 C +ATOM 3 C ARG A 11 8.819 -9.351 27.066 1.00 26.23 C +ATOM 4 O ARG A 11 7.782 -9.163 27.707 1.00 25.57 O +ATOM 5 CB ARG A 11 9.080 -9.153 24.616 1.00 32.36 C +ATOM 6 CG ARG A 11 8.902 -9.702 23.215 1.00 37.48 C +ATOM 7 CD ARG A 11 9.272 -8.642 22.184 1.00 37.78 C +ATOM 8 NE ARG A 11 8.836 -9.006 20.842 1.00 43.47 N +ATOM 9 CZ ARG A 11 7.564 -9.067 20.458 1.00 43.88 C +ATOM 10 NH1 ARG A 11 6.589 -8.782 21.314 1.00 44.60 N +ATOM 11 NH2 ARG A 11 7.266 -9.416 19.215 1.00 46.37 N +ATOM 12 N PRO A 12 10.007 -8.887 27.483 1.00 22.42 N +ATOM 13 CA PRO A 12 10.116 -8.119 28.726 1.00 22.51 C +ATOM 14 C PRO A 12 9.759 -6.650 28.492 1.00 22.30 C +ATOM 15 O PRO A 12 9.563 -6.218 27.355 1.00 22.55 O +ATOM 16 CB PRO A 12 11.583 -8.284 29.100 1.00 23.11 C +ATOM 17 CG PRO A 12 12.251 -8.288 27.753 1.00 23.10 C +ATOM 18 CD PRO A 12 11.341 -9.196 26.938 1.00 22.93 C +ATOM 19 N ARG A 13 9.662 -5.896 29.580 1.00 22.39 N +ATOM 20 CA ARG A 13 9.368 -4.478 29.508 1.00 20.97 C +ATOM 21 C ARG A 13 10.473 -3.823 28.687 1.00 22.29 C +ATOM 22 O ARG A 13 10.206 -3.015 27.796 1.00 20.74 O +ATOM 23 CB ARG A 13 9.362 -3.875 30.913 1.00 20.50 C +ATOM 24 CG ARG A 13 9.281 -2.357 30.948 1.00 20.01 C +ATOM 25 CD ARG A 13 9.587 -1.842 32.344 1.00 20.43 C +ATOM 26 NE ARG A 13 10.990 -2.044 32.707 1.00 18.29 N +ATOM 27 CZ ARG A 13 11.980 -1.221 32.367 1.00 18.88 C +ATOM 28 NH1 ARG A 13 11.723 -0.131 31.652 1.00 16.82 N +ATOM 29 NH2 ARG A 13 13.227 -1.482 32.747 1.00 14.10 N +ATOM 30 N PHE A 14 11.716 -4.198 28.979 1.00 19.60 N +ATOM 31 CA PHE A 14 12.863 -3.620 28.287 1.00 20.61 C +ATOM 32 C PHE A 14 14.123 -4.454 28.498 1.00 20.48 C +ATOM 33 O PHE A 14 14.533 -4.701 29.633 1.00 20.15 O +ATOM 34 CB PHE A 14 13.111 -2.204 28.811 1.00 18.91 C +ATOM 35 CG PHE A 14 14.182 -1.457 28.069 1.00 20.00 C +ATOM 36 CD1 PHE A 14 13.873 -0.726 26.922 1.00 18.61 C +ATOM 37 CD2 PHE A 14 15.501 -1.470 28.524 1.00 20.43 C +ATOM 38 CE1 PHE A 14 14.865 -0.016 26.242 1.00 19.34 C +ATOM 39 CE2 PHE A 14 16.496 -0.763 27.847 1.00 20.91 C +ATOM 40 CZ PHE A 14 16.177 -0.036 26.708 1.00 17.77 C +ATOM 41 N SER A 15 14.743 -4.868 27.400 1.00 21.07 N +ATOM 42 CA SER A 15 15.959 -5.663 27.471 1.00 21.99 C +ATOM 43 C SER A 15 16.874 -5.385 26.287 1.00 20.72 C +ATOM 44 O SER A 15 16.581 -5.776 25.158 1.00 21.93 O +ATOM 45 CB SER A 15 15.616 -7.152 27.505 1.00 22.63 C +ATOM 46 OG SER A 15 16.795 -7.922 27.628 1.00 26.64 O +ATOM 47 N PHE A 16 17.988 -4.719 26.555 1.00 19.72 N +ATOM 48 CA PHE A 16 18.958 -4.384 25.521 1.00 19.87 C +ATOM 49 C PHE A 16 20.098 -5.387 25.582 1.00 20.33 C +ATOM 50 O PHE A 16 20.694 -5.580 26.630 1.00 21.00 O +ATOM 51 CB PHE A 16 19.479 -2.956 25.756 1.00 19.59 C +ATOM 52 CG PHE A 16 20.609 -2.545 24.848 1.00 18.65 C +ATOM 53 CD1 PHE A 16 20.473 -2.600 23.466 1.00 17.08 C +ATOM 54 CD2 PHE A 16 21.805 -2.076 25.384 1.00 18.02 C +ATOM 55 CE1 PHE A 16 21.512 -2.191 22.627 1.00 16.96 C +ATOM 56 CE2 PHE A 16 22.849 -1.665 24.555 1.00 16.65 C +ATOM 57 CZ PHE A 16 22.703 -1.723 23.177 1.00 16.92 C +ATOM 58 N SER A 17 20.384 -6.046 24.466 1.00 21.19 N +ATOM 59 CA SER A 17 21.476 -7.007 24.429 1.00 23.83 C +ATOM 60 C SER A 17 22.375 -6.742 23.230 1.00 22.60 C +ATOM 61 O SER A 17 21.905 -6.596 22.102 1.00 24.63 O +ATOM 62 CB SER A 17 20.939 -8.443 24.378 1.00 25.94 C +ATOM 63 OG SER A 17 20.177 -8.664 23.206 1.00 33.53 O +ATOM 64 N ILE A 18 23.673 -6.663 23.491 1.00 20.75 N +ATOM 65 CA ILE A 18 24.663 -6.419 22.456 1.00 20.80 C +ATOM 66 C ILE A 18 25.168 -7.765 21.956 1.00 21.77 C +ATOM 67 O ILE A 18 25.697 -8.562 22.734 1.00 22.21 O +ATOM 68 CB ILE A 18 25.843 -5.602 23.023 1.00 21.14 C +ATOM 69 CG1 ILE A 18 25.322 -4.260 23.545 1.00 20.20 C +ATOM 70 CG2 ILE A 18 26.905 -5.400 21.960 1.00 18.03 C +ATOM 71 CD1 ILE A 18 26.341 -3.457 24.321 1.00 22.20 C +ATOM 72 N ALA A 19 24.997 -8.020 20.662 1.00 20.66 N +ATOM 73 CA ALA A 19 25.432 -9.283 20.076 1.00 19.89 C +ATOM 74 C ALA A 19 26.816 -9.207 19.449 1.00 20.33 C +ATOM 75 O ALA A 19 27.521 -10.206 19.390 1.00 21.11 O +ATOM 76 CB ALA A 19 24.422 -9.758 19.036 1.00 18.42 C +ATOM 77 N ALA A 20 27.207 -8.030 18.972 1.00 20.53 N +ATOM 78 CA ALA A 20 28.520 -7.886 18.351 1.00 20.04 C +ATOM 79 C ALA A 20 29.079 -6.480 18.487 1.00 19.87 C +ATOM 80 O ALA A 20 28.329 -5.504 18.617 1.00 18.15 O +ATOM 81 CB ALA A 20 28.448 -8.273 16.881 1.00 19.36 C +ATOM 82 N ARG A 21 30.406 -6.390 18.456 1.00 19.83 N +ATOM 83 CA ARG A 21 31.103 -5.117 18.573 1.00 21.76 C +ATOM 84 C ARG A 21 32.265 -5.020 17.605 1.00 21.50 C +ATOM 85 O ARG A 21 32.758 -6.022 17.104 1.00 22.90 O +ATOM 86 CB ARG A 21 31.675 -4.931 19.979 1.00 21.30 C +ATOM 87 CG ARG A 21 30.675 -4.792 21.089 1.00 24.36 C +ATOM 88 CD ARG A 21 31.433 -4.597 22.388 1.00 24.85 C +ATOM 89 NE ARG A 21 30.566 -4.593 23.556 1.00 26.57 N +ATOM 90 CZ ARG A 21 30.102 -3.497 24.142 1.00 26.36 C +ATOM 91 NH1 ARG A 21 30.417 -2.292 23.670 1.00 25.17 N +ATOM 92 NH2 ARG A 21 29.330 -3.613 25.212 1.00 27.88 N +ATOM 93 N GLU A 22 32.693 -3.788 17.364 1.00 21.45 N +ATOM 94 CA GLU A 22 33.829 -3.487 16.510 1.00 22.58 C +ATOM 95 C GLU A 22 34.196 -2.066 16.889 1.00 23.42 C +ATOM 96 O GLU A 22 33.473 -1.121 16.559 1.00 23.10 O +ATOM 97 CB GLU A 22 33.467 -3.549 15.025 1.00 23.13 C +ATOM 98 CG GLU A 22 34.713 -3.522 14.139 1.00 22.03 C +ATOM 99 CD GLU A 22 34.405 -3.580 12.662 1.00 20.99 C +ATOM 100 OE1 GLU A 22 33.532 -4.384 12.269 1.00 20.39 O +ATOM 101 OE2 GLU A 22 35.050 -2.829 11.896 1.00 19.02 O +ATOM 102 N GLY A 23 35.313 -1.911 17.592 1.00 21.77 N +ATOM 103 CA GLY A 23 35.701 -0.585 18.027 1.00 22.37 C +ATOM 104 C GLY A 23 34.607 -0.150 18.980 1.00 21.23 C +ATOM 105 O GLY A 23 34.173 -0.945 19.809 1.00 24.38 O +ATOM 106 N LYS A 24 34.137 1.086 18.861 1.00 20.98 N +ATOM 107 CA LYS A 24 33.071 1.570 19.736 1.00 21.19 C +ATOM 108 C LYS A 24 31.685 1.162 19.223 1.00 20.38 C +ATOM 109 O LYS A 24 30.686 1.298 19.929 1.00 21.06 O +ATOM 110 CB LYS A 24 33.142 3.094 19.855 1.00 21.42 C +ATOM 111 CG LYS A 24 34.388 3.605 20.568 1.00 20.29 C +ATOM 112 CD LYS A 24 34.369 5.114 20.653 1.00 20.03 C +ATOM 113 CE LYS A 24 35.521 5.651 21.496 1.00 23.87 C +ATOM 114 NZ LYS A 24 35.408 7.131 21.682 1.00 22.31 N +ATOM 115 N ALA A 25 31.633 0.657 17.995 1.00 19.65 N +ATOM 116 CA ALA A 25 30.375 0.248 17.381 1.00 18.24 C +ATOM 117 C ALA A 25 29.772 -1.019 17.987 1.00 18.89 C +ATOM 118 O ALA A 25 30.483 -1.965 18.339 1.00 18.69 O +ATOM 119 CB ALA A 25 30.573 0.070 15.868 1.00 17.83 C +ATOM 120 N ARG A 26 28.451 -1.022 18.112 1.00 17.08 N +ATOM 121 CA ARG A 26 27.736 -2.163 18.659 1.00 17.73 C +ATOM 122 C ARG A 26 26.503 -2.454 17.812 1.00 17.98 C +ATOM 123 O ARG A 26 25.938 -1.566 17.168 1.00 15.66 O +ATOM 124 CB ARG A 26 27.270 -1.891 20.098 1.00 19.38 C +ATOM 125 CG ARG A 26 28.313 -1.278 21.025 1.00 19.81 C +ATOM 126 CD ARG A 26 28.109 0.226 21.149 1.00 21.04 C +ATOM 127 NE ARG A 26 26.893 0.570 21.888 1.00 19.56 N +ATOM 128 CZ ARG A 26 26.750 0.434 23.205 1.00 21.36 C +ATOM 129 NH1 ARG A 26 27.746 -0.042 23.941 1.00 20.54 N +ATOM 130 NH2 ARG A 26 25.609 0.778 23.791 1.00 18.53 N +ATOM 131 N THR A 27 26.095 -3.710 17.810 1.00 17.47 N +ATOM 132 CA THR A 27 24.898 -4.097 17.096 1.00 18.47 C +ATOM 133 C THR A 27 24.218 -5.100 18.005 1.00 17.80 C +ATOM 134 O THR A 27 24.878 -5.937 18.623 1.00 17.74 O +ATOM 135 CB THR A 27 25.211 -4.731 15.719 1.00 18.24 C +ATOM 136 OG1 THR A 27 23.981 -4.961 15.021 1.00 20.80 O +ATOM 137 CG2 THR A 27 25.961 -6.046 15.873 1.00 17.86 C +ATOM 138 N GLY A 28 22.903 -4.994 18.109 1.00 16.66 N +ATOM 139 CA GLY A 28 22.167 -5.900 18.966 1.00 17.51 C +ATOM 140 C GLY A 28 20.679 -5.647 18.876 1.00 17.50 C +ATOM 141 O GLY A 28 20.169 -5.271 17.817 1.00 19.16 O +ATOM 142 N THR A 29 19.978 -5.831 19.986 1.00 17.20 N +ATOM 143 CA THR A 29 18.541 -5.633 19.983 1.00 18.91 C +ATOM 144 C THR A 29 18.000 -5.146 21.307 1.00 18.99 C +ATOM 145 O THR A 29 18.571 -5.404 22.367 1.00 18.02 O +ATOM 146 CB THR A 29 17.806 -6.939 19.683 1.00 21.39 C +ATOM 147 OG1 THR A 29 18.144 -7.901 20.694 1.00 25.21 O +ATOM 148 CG2 THR A 29 18.193 -7.482 18.321 1.00 20.83 C +ATOM 149 N ILE A 30 16.885 -4.432 21.230 1.00 17.71 N +ATOM 150 CA ILE A 30 16.204 -3.957 22.418 1.00 17.90 C +ATOM 151 C ILE A 30 14.866 -4.686 22.366 1.00 19.70 C +ATOM 152 O ILE A 30 14.128 -4.559 21.385 1.00 18.79 O +ATOM 153 CB ILE A 30 15.906 -2.446 22.379 1.00 17.06 C +ATOM 154 CG1 ILE A 30 17.198 -1.639 22.302 1.00 18.48 C +ATOM 155 CG2 ILE A 30 15.115 -2.056 23.612 1.00 17.46 C +ATOM 156 CD1 ILE A 30 16.964 -0.143 22.185 1.00 16.38 C +ATOM 157 N GLU A 31 14.564 -5.469 23.395 1.00 19.31 N +ATOM 158 CA GLU A 31 13.290 -6.170 23.435 1.00 19.87 C +ATOM 159 C GLU A 31 12.313 -5.400 24.295 1.00 17.81 C +ATOM 160 O GLU A 31 12.622 -5.031 25.430 1.00 16.16 O +ATOM 161 CB GLU A 31 13.449 -7.589 23.991 1.00 21.70 C +ATOM 162 CG GLU A 31 13.999 -8.569 22.981 1.00 26.45 C +ATOM 163 CD GLU A 31 13.954 -9.998 23.472 1.00 31.42 C +ATOM 164 OE1 GLU A 31 14.221 -10.906 22.661 1.00 34.30 O +ATOM 165 OE2 GLU A 31 13.657 -10.213 24.666 1.00 34.45 O +ATOM 166 N MET A 32 11.130 -5.159 23.745 1.00 17.13 N +ATOM 167 CA MET A 32 10.089 -4.441 24.460 1.00 16.11 C +ATOM 168 C MET A 32 8.778 -5.177 24.266 1.00 15.15 C +ATOM 169 O MET A 32 8.657 -6.021 23.380 1.00 16.44 O +ATOM 170 CB MET A 32 9.986 -3.003 23.946 1.00 16.72 C +ATOM 171 CG MET A 32 11.251 -2.182 24.192 1.00 16.38 C +ATOM 172 SD MET A 32 11.013 -0.392 24.027 1.00 18.45 S +ATOM 173 CE MET A 32 10.244 -0.011 25.613 1.00 16.66 C +ATOM 174 N LYS A 33 7.791 -4.867 25.089 1.00 15.02 N +ATOM 175 CA LYS A 33 6.513 -5.549 24.966 1.00 18.71 C +ATOM 176 C LYS A 33 5.918 -5.521 23.563 1.00 17.67 C +ATOM 177 O LYS A 33 5.465 -6.548 23.068 1.00 17.86 O +ATOM 178 CB LYS A 33 5.519 -4.987 25.983 1.00 20.81 C +ATOM 179 CG LYS A 33 5.814 -5.475 27.393 1.00 26.92 C +ATOM 180 CD LYS A 33 4.815 -4.968 28.411 1.00 31.54 C +ATOM 181 CE LYS A 33 4.985 -5.714 29.730 1.00 34.48 C +ATOM 182 NZ LYS A 33 6.401 -5.698 30.190 1.00 38.01 N +ATOM 183 N ARG A 34 5.942 -4.369 22.904 1.00 17.70 N +ATOM 184 CA ARG A 34 5.357 -4.281 21.564 1.00 17.46 C +ATOM 185 C ARG A 34 6.235 -4.767 20.422 1.00 18.24 C +ATOM 186 O ARG A 34 5.808 -4.750 19.266 1.00 19.32 O +ATOM 187 CB ARG A 34 4.905 -2.853 21.276 1.00 19.21 C +ATOM 188 CG ARG A 34 3.734 -2.405 22.123 1.00 18.56 C +ATOM 189 CD ARG A 34 3.340 -0.994 21.759 1.00 20.43 C +ATOM 190 NE ARG A 34 2.312 -0.475 22.649 1.00 24.07 N +ATOM 191 CZ ARG A 34 1.008 -0.604 22.440 1.00 26.94 C +ATOM 192 NH1 ARG A 34 0.563 -1.236 21.358 1.00 27.77 N +ATOM 193 NH2 ARG A 34 0.152 -0.098 23.319 1.00 27.40 N +ATOM 194 N GLY A 35 7.459 -5.188 20.727 1.00 17.22 N +ATOM 195 CA GLY A 35 8.322 -5.677 19.670 1.00 17.42 C +ATOM 196 C GLY A 35 9.810 -5.546 19.929 1.00 18.60 C +ATOM 197 O GLY A 35 10.242 -5.008 20.954 1.00 16.62 O +ATOM 198 N VAL A 36 10.595 -6.047 18.981 1.00 17.25 N +ATOM 199 CA VAL A 36 12.047 -5.995 19.073 1.00 17.09 C +ATOM 200 C VAL A 36 12.574 -4.875 18.185 1.00 16.00 C +ATOM 201 O VAL A 36 12.068 -4.647 17.090 1.00 16.25 O +ATOM 202 CB VAL A 36 12.684 -7.329 18.615 1.00 18.01 C +ATOM 203 CG1 VAL A 36 14.202 -7.258 18.749 1.00 18.56 C +ATOM 204 CG2 VAL A 36 12.116 -8.491 19.439 1.00 17.04 C +ATOM 205 N ILE A 37 13.587 -4.173 18.670 1.00 15.02 N +ATOM 206 CA ILE A 37 14.193 -3.093 17.914 1.00 15.40 C +ATOM 207 C ILE A 37 15.635 -3.483 17.634 1.00 14.81 C +ATOM 208 O ILE A 37 16.411 -3.724 18.560 1.00 14.59 O +ATOM 209 CB ILE A 37 14.192 -1.768 18.711 1.00 16.32 C +ATOM 210 CG1 ILE A 37 12.758 -1.375 19.077 1.00 14.57 C +ATOM 211 CG2 ILE A 37 14.845 -0.669 17.884 1.00 13.93 C +ATOM 212 CD1 ILE A 37 12.655 -0.610 20.383 1.00 14.50 C +ATOM 213 N ARG A 38 15.984 -3.547 16.357 1.00 14.22 N +ATOM 214 CA ARG A 38 17.337 -3.890 15.945 1.00 13.45 C +ATOM 215 C ARG A 38 18.185 -2.626 15.977 1.00 13.03 C +ATOM 216 O ARG A 38 17.767 -1.584 15.475 1.00 14.08 O +ATOM 217 CB ARG A 38 17.306 -4.480 14.537 1.00 13.37 C +ATOM 218 CG ARG A 38 16.538 -5.789 14.449 1.00 16.65 C +ATOM 219 CD ARG A 38 16.285 -6.184 12.997 1.00 18.01 C +ATOM 220 NE ARG A 38 15.298 -5.308 12.371 1.00 16.59 N +ATOM 221 CZ ARG A 38 14.995 -5.322 11.077 1.00 18.78 C +ATOM 222 NH1 ARG A 38 15.607 -6.168 10.255 1.00 18.45 N +ATOM 223 NH2 ARG A 38 14.074 -4.493 10.605 1.00 17.79 N +ATOM 224 N THR A 39 19.371 -2.711 16.577 1.00 13.85 N +ATOM 225 CA THR A 39 20.257 -1.556 16.673 1.00 13.57 C +ATOM 226 C THR A 39 21.607 -1.863 16.029 1.00 14.35 C +ATOM 227 O THR A 39 22.064 -2.997 16.055 1.00 14.86 O +ATOM 228 CB THR A 39 20.502 -1.138 18.145 1.00 14.68 C +ATOM 229 OG1 THR A 39 21.315 -2.119 18.803 1.00 17.06 O +ATOM 230 CG2 THR A 39 19.184 -1.008 18.889 1.00 14.37 C +ATOM 231 N PRO A 40 22.277 -0.841 15.469 1.00 14.57 N +ATOM 232 CA PRO A 40 21.826 0.557 15.422 1.00 14.23 C +ATOM 233 C PRO A 40 20.473 0.701 14.721 1.00 15.31 C +ATOM 234 O PRO A 40 20.205 0.028 13.723 1.00 16.25 O +ATOM 235 CB PRO A 40 22.956 1.258 14.671 1.00 12.64 C +ATOM 236 CG PRO A 40 24.170 0.441 15.074 1.00 13.72 C +ATOM 237 CD PRO A 40 23.647 -0.969 14.938 1.00 14.57 C +ATOM 238 N ALA A 41 19.629 1.585 15.242 1.00 12.90 N +ATOM 239 CA ALA A 41 18.298 1.777 14.680 1.00 12.87 C +ATOM 240 C ALA A 41 18.001 3.192 14.204 1.00 12.73 C +ATOM 241 O ALA A 41 18.477 4.166 14.789 1.00 9.41 O +ATOM 242 CB ALA A 41 17.248 1.362 15.715 1.00 11.44 C +ATOM 243 N PHE A 42 17.226 3.297 13.126 1.00 11.43 N +ATOM 244 CA PHE A 42 16.809 4.599 12.624 1.00 11.48 C +ATOM 245 C PHE A 42 15.304 4.665 12.818 1.00 11.06 C +ATOM 246 O PHE A 42 14.568 3.783 12.361 1.00 10.68 O +ATOM 247 CB PHE A 42 17.105 4.796 11.145 1.00 15.08 C +ATOM 248 CG PHE A 42 16.683 6.147 10.647 1.00 18.67 C +ATOM 249 CD1 PHE A 42 17.453 7.271 10.926 1.00 20.33 C +ATOM 250 CD2 PHE A 42 15.470 6.312 9.980 1.00 19.06 C +ATOM 251 CE1 PHE A 42 17.022 8.550 10.551 1.00 24.54 C +ATOM 252 CE2 PHE A 42 15.025 7.582 9.601 1.00 22.29 C +ATOM 253 CZ PHE A 42 15.805 8.706 9.889 1.00 21.53 C +ATOM 254 N MET A 43 14.854 5.716 13.486 1.00 9.74 N +ATOM 255 CA MET A 43 13.446 5.889 13.782 1.00 13.05 C +ATOM 256 C MET A 43 12.772 6.943 12.926 1.00 14.15 C +ATOM 257 O MET A 43 13.097 8.134 13.022 1.00 13.80 O +ATOM 258 CB MET A 43 13.269 6.276 15.250 1.00 14.19 C +ATOM 259 CG MET A 43 13.875 5.297 16.240 1.00 14.37 C +ATOM 260 SD MET A 43 13.635 5.872 17.931 1.00 18.22 S +ATOM 261 CE MET A 43 15.027 6.995 18.113 1.00 12.44 C +ATOM 262 N PRO A 44 11.837 6.521 12.060 1.00 14.44 N +ATOM 263 CA PRO A 44 11.149 7.508 11.225 1.00 13.90 C +ATOM 264 C PRO A 44 10.377 8.402 12.189 1.00 14.60 C +ATOM 265 O PRO A 44 9.999 7.963 13.276 1.00 10.67 O +ATOM 266 CB PRO A 44 10.224 6.653 10.364 1.00 14.34 C +ATOM 267 CG PRO A 44 11.003 5.357 10.218 1.00 13.47 C +ATOM 268 CD PRO A 44 11.509 5.146 11.637 1.00 13.15 C +ATOM 269 N VAL A 45 10.147 9.648 11.802 1.00 15.70 N +ATOM 270 CA VAL A 45 9.433 10.566 12.670 1.00 20.05 C +ATOM 271 C VAL A 45 7.986 10.801 12.262 1.00 21.80 C +ATOM 272 O VAL A 45 7.679 11.040 11.092 1.00 22.65 O +ATOM 273 CB VAL A 45 10.169 11.917 12.748 1.00 19.90 C +ATOM 274 CG1 VAL A 45 9.414 12.887 13.658 1.00 21.19 C +ATOM 275 CG2 VAL A 45 11.577 11.688 13.277 1.00 20.37 C +ATOM 276 N GLY A 46 7.101 10.703 13.246 1.00 22.92 N +ATOM 277 CA GLY A 46 5.688 10.938 13.023 1.00 26.87 C +ATOM 278 C GLY A 46 5.387 12.240 13.732 1.00 28.62 C +ATOM 279 O GLY A 46 5.233 12.267 14.950 1.00 31.78 O +ATOM 280 N THR A 47 5.319 13.328 12.977 1.00 30.30 N +ATOM 281 CA THR A 47 5.070 14.643 13.559 1.00 31.77 C +ATOM 282 C THR A 47 3.707 14.802 14.230 1.00 32.02 C +ATOM 283 O THR A 47 3.628 15.005 15.442 1.00 36.31 O +ATOM 284 CB THR A 47 5.239 15.739 12.494 1.00 33.37 C +ATOM 285 OG1 THR A 47 6.561 15.659 11.946 1.00 33.64 O +ATOM 286 CG2 THR A 47 5.025 17.121 13.106 1.00 32.24 C +ATOM 287 N ALA A 48 2.637 14.721 13.450 1.00 28.49 N +ATOM 288 CA ALA A 48 1.298 14.866 14.008 1.00 27.19 C +ATOM 289 C ALA A 48 0.565 13.535 13.979 1.00 23.67 C +ATOM 290 O ALA A 48 -0.508 13.426 13.397 1.00 22.31 O +ATOM 291 CB ALA A 48 0.511 15.911 13.220 1.00 28.51 C +ATOM 292 N ALA A 49 1.156 12.527 14.613 1.00 21.24 N +ATOM 293 CA ALA A 49 0.572 11.191 14.662 1.00 19.39 C +ATOM 294 C ALA A 49 0.534 10.570 13.279 1.00 17.03 C +ATOM 295 O ALA A 49 -0.389 9.836 12.945 1.00 18.31 O +ATOM 296 CB ALA A 49 -0.838 11.237 15.256 1.00 17.38 C +ATOM 297 N THR A 50 1.539 10.880 12.471 1.00 18.22 N +ATOM 298 CA THR A 50 1.640 10.314 11.132 1.00 18.26 C +ATOM 299 C THR A 50 3.038 10.460 10.565 1.00 19.02 C +ATOM 300 O THR A 50 3.650 11.526 10.672 1.00 20.56 O +ATOM 301 CB THR A 50 0.637 10.966 10.126 1.00 16.34 C +ATOM 302 OG1 THR A 50 0.890 10.452 8.811 1.00 17.43 O +ATOM 303 CG2 THR A 50 0.778 12.482 10.095 1.00 15.48 C +ATOM 304 N VAL A 51 3.564 9.378 9.997 1.00 16.93 N +ATOM 305 CA VAL A 51 4.866 9.462 9.364 1.00 17.02 C +ATOM 306 C VAL A 51 4.459 10.025 8.004 1.00 18.05 C +ATOM 307 O VAL A 51 3.788 9.360 7.215 1.00 19.04 O +ATOM 308 CB VAL A 51 5.548 8.077 9.211 1.00 16.44 C +ATOM 309 CG1 VAL A 51 6.845 8.226 8.429 1.00 13.23 C +ATOM 310 CG2 VAL A 51 5.855 7.487 10.594 1.00 17.10 C +ATOM 311 N LYS A 52 4.843 11.273 7.771 1.00 19.04 N +ATOM 312 CA LYS A 52 4.511 12.015 6.558 1.00 20.93 C +ATOM 313 C LYS A 52 4.325 11.219 5.276 1.00 19.22 C +ATOM 314 O LYS A 52 5.253 10.589 4.785 1.00 18.10 O +ATOM 315 CB LYS A 52 5.558 13.117 6.335 1.00 24.61 C +ATOM 316 CG LYS A 52 5.313 14.017 5.123 1.00 29.89 C +ATOM 317 CD LYS A 52 6.251 15.228 5.150 1.00 32.84 C +ATOM 318 CE LYS A 52 6.174 16.050 3.870 1.00 35.84 C +ATOM 319 NZ LYS A 52 6.768 15.330 2.706 1.00 37.50 N +ATOM 320 N ALA A 53 3.100 11.252 4.755 1.00 18.30 N +ATOM 321 CA ALA A 53 2.745 10.598 3.496 1.00 16.90 C +ATOM 322 C ALA A 53 2.876 9.076 3.425 1.00 17.54 C +ATOM 323 O ALA A 53 2.972 8.517 2.329 1.00 16.93 O +ATOM 324 CB ALA A 53 3.545 11.234 2.365 1.00 18.33 C +ATOM 325 N LEU A 54 2.863 8.404 4.572 1.00 13.59 N +ATOM 326 CA LEU A 54 2.990 6.955 4.578 1.00 15.41 C +ATOM 327 C LEU A 54 2.007 6.264 5.516 1.00 14.59 C +ATOM 328 O LEU A 54 1.753 6.739 6.625 1.00 13.39 O +ATOM 329 CB LEU A 54 4.413 6.548 4.988 1.00 16.37 C +ATOM 330 CG LEU A 54 5.602 6.992 4.130 1.00 18.08 C +ATOM 331 CD1 LEU A 54 6.901 6.587 4.830 1.00 21.32 C +ATOM 332 CD2 LEU A 54 5.518 6.366 2.751 1.00 15.61 C +ATOM 333 N LYS A 55 1.438 5.152 5.063 1.00 13.90 N +ATOM 334 CA LYS A 55 0.553 4.381 5.929 1.00 13.91 C +ATOM 335 C LYS A 55 1.519 3.644 6.846 1.00 13.02 C +ATOM 336 O LYS A 55 2.651 3.367 6.454 1.00 11.44 O +ATOM 337 CB LYS A 55 -0.255 3.344 5.148 1.00 12.37 C +ATOM 338 CG LYS A 55 -1.472 3.889 4.418 1.00 12.17 C +ATOM 339 CD LYS A 55 -2.186 2.772 3.676 1.00 14.13 C +ATOM 340 CE LYS A 55 -3.458 3.261 2.994 1.00 10.98 C +ATOM 341 NZ LYS A 55 -4.075 2.162 2.196 1.00 13.18 N +ATOM 342 N PRO A 56 1.089 3.325 8.075 1.00 14.18 N +ATOM 343 CA PRO A 56 1.933 2.612 9.039 1.00 14.98 C +ATOM 344 C PRO A 56 2.504 1.320 8.450 1.00 14.38 C +ATOM 345 O PRO A 56 3.652 0.947 8.729 1.00 13.48 O +ATOM 346 CB PRO A 56 0.970 2.326 10.192 1.00 15.77 C +ATOM 347 CG PRO A 56 0.039 3.480 10.140 1.00 15.52 C +ATOM 348 CD PRO A 56 -0.223 3.643 8.665 1.00 13.89 C +ATOM 349 N GLU A 57 1.699 0.626 7.650 1.00 13.35 N +ATOM 350 CA GLU A 57 2.155 -0.621 7.041 1.00 14.00 C +ATOM 351 C GLU A 57 3.321 -0.357 6.105 1.00 14.11 C +ATOM 352 O GLU A 57 4.247 -1.158 6.015 1.00 15.54 O +ATOM 353 CB GLU A 57 1.015 -1.300 6.281 1.00 18.88 C +ATOM 354 CG GLU A 57 0.272 -0.373 5.342 1.00 23.60 C +ATOM 355 CD GLU A 57 -0.967 -1.021 4.759 1.00 27.35 C +ATOM 356 OE1 GLU A 57 -0.824 -1.899 3.880 1.00 31.67 O +ATOM 357 OE2 GLU A 57 -2.083 -0.659 5.190 1.00 23.97 O +ATOM 358 N THR A 58 3.283 0.773 5.410 1.00 14.30 N +ATOM 359 CA THR A 58 4.366 1.120 4.498 1.00 14.78 C +ATOM 360 C THR A 58 5.628 1.450 5.298 1.00 15.30 C +ATOM 361 O THR A 58 6.740 1.100 4.900 1.00 16.07 O +ATOM 362 CB THR A 58 3.984 2.321 3.624 1.00 14.68 C +ATOM 363 OG1 THR A 58 2.715 2.070 3.008 1.00 15.32 O +ATOM 364 CG2 THR A 58 5.016 2.529 2.539 1.00 13.72 C +ATOM 365 N VAL A 59 5.457 2.123 6.430 1.00 14.65 N +ATOM 366 CA VAL A 59 6.599 2.456 7.278 1.00 14.40 C +ATOM 367 C VAL A 59 7.267 1.145 7.704 1.00 13.34 C +ATOM 368 O VAL A 59 8.484 0.992 7.617 1.00 15.17 O +ATOM 369 CB VAL A 59 6.146 3.250 8.533 1.00 14.56 C +ATOM 370 CG1 VAL A 59 7.315 3.434 9.504 1.00 14.67 C +ATOM 371 CG2 VAL A 59 5.607 4.603 8.107 1.00 10.70 C +ATOM 372 N ARG A 60 6.457 0.193 8.148 1.00 13.98 N +ATOM 373 CA ARG A 60 6.968 -1.101 8.577 1.00 13.51 C +ATOM 374 C ARG A 60 7.606 -1.837 7.400 1.00 14.99 C +ATOM 375 O ARG A 60 8.636 -2.493 7.554 1.00 15.36 O +ATOM 376 CB ARG A 60 5.838 -1.954 9.165 1.00 14.35 C +ATOM 377 CG ARG A 60 6.260 -3.388 9.492 1.00 13.99 C +ATOM 378 CD ARG A 60 7.457 -3.389 10.439 1.00 15.37 C +ATOM 379 NE ARG A 60 7.933 -4.738 10.724 1.00 16.55 N +ATOM 380 CZ ARG A 60 9.011 -5.013 11.453 1.00 17.67 C +ATOM 381 NH1 ARG A 60 9.733 -4.033 11.977 1.00 13.75 N +ATOM 382 NH2 ARG A 60 9.368 -6.273 11.658 1.00 18.50 N +ATOM 383 N ALA A 61 7.001 -1.717 6.224 1.00 13.82 N +ATOM 384 CA ALA A 61 7.528 -2.392 5.041 1.00 16.84 C +ATOM 385 C ALA A 61 8.943 -1.927 4.687 1.00 17.22 C +ATOM 386 O ALA A 61 9.725 -2.694 4.118 1.00 17.73 O +ATOM 387 CB ALA A 61 6.587 -2.191 3.856 1.00 16.44 C +ATOM 388 N THR A 62 9.278 -0.682 5.024 1.00 16.47 N +ATOM 389 CA THR A 62 10.621 -0.159 4.745 1.00 16.48 C +ATOM 390 C THR A 62 11.659 -0.811 5.667 1.00 16.20 C +ATOM 391 O THR A 62 12.860 -0.741 5.407 1.00 16.64 O +ATOM 392 CB THR A 62 10.710 1.368 4.966 1.00 16.67 C +ATOM 393 OG1 THR A 62 10.573 1.657 6.364 1.00 17.23 O +ATOM 394 CG2 THR A 62 9.613 2.096 4.195 1.00 19.88 C +ATOM 395 N GLY A 63 11.195 -1.420 6.757 1.00 14.43 N +ATOM 396 CA GLY A 63 12.108 -2.069 7.683 1.00 13.46 C +ATOM 397 C GLY A 63 12.156 -1.458 9.075 1.00 13.76 C +ATOM 398 O GLY A 63 12.823 -1.997 9.964 1.00 10.97 O +ATOM 399 N ALA A 64 11.439 -0.354 9.284 1.00 10.71 N +ATOM 400 CA ALA A 64 11.436 0.311 10.586 1.00 11.15 C +ATOM 401 C ALA A 64 10.850 -0.559 11.703 1.00 12.31 C +ATOM 402 O ALA A 64 9.796 -1.179 11.529 1.00 11.09 O +ATOM 403 CB ALA A 64 10.668 1.634 10.496 1.00 7.98 C +ATOM 404 N ASP A 65 11.538 -0.605 12.845 1.00 11.96 N +ATOM 405 CA ASP A 65 11.074 -1.389 14.000 1.00 13.50 C +ATOM 406 C ASP A 65 10.406 -0.488 15.029 1.00 13.00 C +ATOM 407 O ASP A 65 9.710 -0.965 15.933 1.00 12.06 O +ATOM 408 CB ASP A 65 12.231 -2.080 14.728 1.00 12.70 C +ATOM 409 CG ASP A 65 12.948 -3.083 13.874 1.00 14.21 C +ATOM 410 OD1 ASP A 65 12.270 -3.837 13.145 1.00 15.75 O +ATOM 411 OD2 ASP A 65 14.192 -3.125 13.953 1.00 13.57 O +ATOM 412 N ILE A 66 10.638 0.811 14.893 1.00 10.70 N +ATOM 413 CA ILE A 66 10.108 1.778 15.838 1.00 12.56 C +ATOM 414 C ILE A 66 10.055 3.151 15.190 1.00 13.19 C +ATOM 415 O ILE A 66 10.847 3.450 14.297 1.00 14.97 O +ATOM 416 CB ILE A 66 11.024 1.833 17.089 1.00 10.65 C +ATOM 417 CG1 ILE A 66 10.646 3.005 17.996 1.00 13.34 C +ATOM 418 CG2 ILE A 66 12.476 1.944 16.644 1.00 12.30 C +ATOM 419 CD1 ILE A 66 11.367 2.989 19.336 1.00 13.81 C +ATOM 420 N ILE A 67 9.117 3.978 15.635 1.00 13.69 N +ATOM 421 CA ILE A 67 8.992 5.329 15.108 1.00 14.17 C +ATOM 422 C ILE A 67 9.014 6.304 16.278 1.00 17.48 C +ATOM 423 O ILE A 67 8.847 5.905 17.437 1.00 15.92 O +ATOM 424 CB ILE A 67 7.685 5.511 14.287 1.00 13.57 C +ATOM 425 CG1 ILE A 67 6.453 5.214 15.145 1.00 14.58 C +ATOM 426 CG2 ILE A 67 7.689 4.579 13.087 1.00 5.22 C +ATOM 427 CD1 ILE A 67 6.069 6.320 16.073 1.00 25.21 C +ATOM 428 N LEU A 68 9.233 7.579 15.979 1.00 17.92 N +ATOM 429 CA LEU A 68 9.275 8.593 17.020 1.00 19.66 C +ATOM 430 C LEU A 68 8.040 9.477 16.941 1.00 18.88 C +ATOM 431 O LEU A 68 7.640 9.902 15.861 1.00 19.25 O +ATOM 432 CB LEU A 68 10.547 9.439 16.875 1.00 20.38 C +ATOM 433 CG LEU A 68 10.789 10.571 17.883 1.00 22.51 C +ATOM 434 CD1 LEU A 68 12.269 10.907 17.918 1.00 23.39 C +ATOM 435 CD2 LEU A 68 9.980 11.803 17.497 1.00 24.38 C +ATOM 436 N GLY A 69 7.427 9.734 18.089 1.00 20.01 N +ATOM 437 CA GLY A 69 6.258 10.594 18.123 1.00 22.14 C +ATOM 438 C GLY A 69 6.628 11.891 18.820 1.00 24.05 C +ATOM 439 O GLY A 69 7.258 11.864 19.869 1.00 23.48 O +ATOM 440 N ASN A 70 6.257 13.028 18.243 1.00 27.34 N +ATOM 441 CA ASN A 70 6.569 14.322 18.849 1.00 30.33 C +ATOM 442 C ASN A 70 5.489 14.729 19.852 1.00 31.40 C +ATOM 443 O ASN A 70 4.325 14.903 19.489 1.00 34.38 O +ATOM 444 CB ASN A 70 6.714 15.393 17.758 1.00 30.67 C +ATOM 445 CG ASN A 70 8.018 15.265 16.976 1.00 31.88 C +ATOM 446 OD1 ASN A 70 8.067 15.561 15.784 1.00 32.00 O +ATOM 447 ND2 ASN A 70 9.080 14.837 17.650 1.00 30.11 N +ATOM 448 N THR A 71 5.882 14.873 21.114 1.00 32.75 N +ATOM 449 CA THR A 71 4.953 15.244 22.179 1.00 33.90 C +ATOM 450 C THR A 71 4.392 16.658 22.038 1.00 34.91 C +ATOM 451 O THR A 71 3.183 16.868 22.152 1.00 35.20 O +ATOM 452 CB THR A 71 5.623 15.105 23.569 1.00 34.10 C +ATOM 453 OG1 THR A 71 5.821 13.716 23.865 1.00 35.06 O +ATOM 454 CG2 THR A 71 4.756 15.721 24.657 1.00 34.94 C +ATOM 455 N TYR A 72 5.268 17.625 21.791 1.00 34.49 N +ATOM 456 CA TYR A 72 4.843 19.010 21.646 1.00 34.72 C +ATOM 457 C TYR A 72 3.644 19.132 20.714 1.00 33.52 C +ATOM 458 O TYR A 72 2.596 19.656 21.092 1.00 32.63 O +ATOM 459 CB TYR A 72 5.993 19.866 21.108 1.00 36.23 C +ATOM 460 CG TYR A 72 5.602 21.300 20.826 1.00 37.85 C +ATOM 461 CD1 TYR A 72 5.284 22.174 21.865 1.00 38.50 C +ATOM 462 CD2 TYR A 72 5.538 21.778 19.518 1.00 38.67 C +ATOM 463 CE1 TYR A 72 4.912 23.487 21.609 1.00 40.19 C +ATOM 464 CE2 TYR A 72 5.167 23.091 19.250 1.00 40.28 C +ATOM 465 CZ TYR A 72 4.854 23.941 20.300 1.00 40.66 C +ATOM 466 OH TYR A 72 4.474 25.241 20.042 1.00 41.22 O +ATOM 467 N HIS A 73 3.802 18.640 19.494 1.00 32.06 N +ATOM 468 CA HIS A 73 2.738 18.715 18.506 1.00 30.82 C +ATOM 469 C HIS A 73 1.460 18.005 18.932 1.00 28.99 C +ATOM 470 O HIS A 73 0.363 18.537 18.769 1.00 26.11 O +ATOM 471 CB HIS A 73 3.234 18.141 17.182 1.00 34.69 C +ATOM 472 CG HIS A 73 4.336 18.940 16.559 1.00 39.29 C +ATOM 473 ND1 HIS A 73 4.131 20.191 16.016 1.00 40.50 N +ATOM 474 CD2 HIS A 73 5.655 18.675 16.409 1.00 40.07 C +ATOM 475 CE1 HIS A 73 5.277 20.662 15.558 1.00 41.74 C +ATOM 476 NE2 HIS A 73 6.217 19.762 15.784 1.00 42.44 N +ATOM 477 N LEU A 74 1.609 16.804 19.482 1.00 29.06 N +ATOM 478 CA LEU A 74 0.468 16.005 19.918 1.00 28.87 C +ATOM 479 C LEU A 74 -0.332 16.646 21.049 1.00 28.23 C +ATOM 480 O LEU A 74 -1.560 16.578 21.063 1.00 25.62 O +ATOM 481 CB LEU A 74 0.948 14.613 20.345 1.00 29.73 C +ATOM 482 CG LEU A 74 1.528 13.743 19.223 1.00 31.16 C +ATOM 483 CD1 LEU A 74 2.261 12.554 19.809 1.00 31.50 C +ATOM 484 CD2 LEU A 74 0.406 13.290 18.302 1.00 31.14 C +ATOM 485 N MET A 75 0.359 17.266 21.999 1.00 27.84 N +ATOM 486 CA MET A 75 -0.325 17.893 23.119 1.00 28.96 C +ATOM 487 C MET A 75 -1.142 19.086 22.646 1.00 29.95 C +ATOM 488 O MET A 75 -2.085 19.508 23.314 1.00 29.98 O +ATOM 489 CB MET A 75 0.678 18.332 24.192 1.00 28.44 C +ATOM 490 CG MET A 75 1.608 19.463 23.784 1.00 30.86 C +ATOM 491 SD MET A 75 2.686 19.994 25.141 1.00 32.32 S +ATOM 492 CE MET A 75 4.109 18.963 24.872 1.00 36.11 C +ATOM 493 N LEU A 76 -0.781 19.625 21.487 1.00 31.04 N +ATOM 494 CA LEU A 76 -1.494 20.769 20.935 1.00 34.57 C +ATOM 495 C LEU A 76 -2.611 20.384 19.968 1.00 36.09 C +ATOM 496 O LEU A 76 -3.792 20.476 20.305 1.00 36.35 O +ATOM 497 CB LEU A 76 -0.519 21.712 20.221 1.00 34.39 C +ATOM 498 CG LEU A 76 0.444 22.533 21.081 1.00 34.77 C +ATOM 499 CD1 LEU A 76 1.362 23.344 20.180 1.00 36.06 C +ATOM 500 CD2 LEU A 76 -0.343 23.453 22.005 1.00 33.44 C +ATOM 501 N ARG A 77 -2.234 19.945 18.771 1.00 38.60 N +ATOM 502 CA ARG A 77 -3.210 19.594 17.744 1.00 39.97 C +ATOM 503 C ARG A 77 -4.345 18.672 18.207 1.00 39.67 C +ATOM 504 O ARG A 77 -5.480 19.127 18.368 1.00 42.18 O +ATOM 505 CB ARG A 77 -2.503 19.001 16.519 1.00 42.32 C +ATOM 506 CG ARG A 77 -3.430 18.742 15.343 1.00 43.83 C +ATOM 507 CD ARG A 77 -3.737 20.013 14.568 1.00 45.91 C +ATOM 508 NE ARG A 77 -2.586 20.449 13.780 1.00 47.53 N +ATOM 509 CZ ARG A 77 -2.603 21.464 12.921 1.00 47.76 C +ATOM 510 NH1 ARG A 77 -3.714 22.163 12.733 1.00 47.01 N +ATOM 511 NH2 ARG A 77 -1.508 21.770 12.237 1.00 47.87 N +ATOM 512 N PRO A 78 -4.070 17.372 18.430 1.00 37.00 N +ATOM 513 CA PRO A 78 -5.187 16.524 18.868 1.00 35.21 C +ATOM 514 C PRO A 78 -5.449 16.541 20.375 1.00 32.19 C +ATOM 515 O PRO A 78 -6.599 16.471 20.809 1.00 32.52 O +ATOM 516 CB PRO A 78 -4.782 15.146 18.361 1.00 35.57 C +ATOM 517 CG PRO A 78 -3.303 15.164 18.575 1.00 36.90 C +ATOM 518 CD PRO A 78 -2.892 16.550 18.095 1.00 35.35 C +ATOM 519 N GLY A 79 -4.381 16.633 21.165 1.00 29.84 N +ATOM 520 CA GLY A 79 -4.521 16.656 22.614 1.00 27.16 C +ATOM 521 C GLY A 79 -4.138 15.332 23.254 1.00 25.73 C +ATOM 522 O GLY A 79 -4.553 14.272 22.789 1.00 23.85 O +ATOM 523 N ALA A 80 -3.347 15.385 24.323 1.00 24.23 N +ATOM 524 CA ALA A 80 -2.911 14.169 25.006 1.00 23.78 C +ATOM 525 C ALA A 80 -4.095 13.404 25.576 1.00 22.24 C +ATOM 526 O ALA A 80 -4.243 12.202 25.339 1.00 21.91 O +ATOM 527 CB ALA A 80 -1.930 14.511 26.124 1.00 20.06 C +ATOM 528 N GLU A 81 -4.928 14.104 26.337 1.00 22.02 N +ATOM 529 CA GLU A 81 -6.107 13.497 26.948 1.00 22.87 C +ATOM 530 C GLU A 81 -7.021 12.875 25.892 1.00 20.99 C +ATOM 531 O GLU A 81 -7.556 11.786 26.086 1.00 19.39 O +ATOM 532 CB GLU A 81 -6.901 14.545 27.738 1.00 23.56 C +ATOM 533 CG GLU A 81 -6.350 14.899 29.127 1.00 28.05 C +ATOM 534 CD GLU A 81 -4.952 15.489 29.092 1.00 27.55 C +ATOM 535 OE1 GLU A 81 -4.606 16.160 28.096 1.00 27.86 O +ATOM 536 OE2 GLU A 81 -4.204 15.291 30.073 1.00 29.46 O +ATOM 537 N ARG A 82 -7.200 13.569 24.774 1.00 19.92 N +ATOM 538 CA ARG A 82 -8.071 13.060 23.717 1.00 21.21 C +ATOM 539 C ARG A 82 -7.574 11.739 23.134 1.00 19.47 C +ATOM 540 O ARG A 82 -8.347 10.797 22.954 1.00 20.26 O +ATOM 541 CB ARG A 82 -8.227 14.101 22.602 1.00 20.72 C +ATOM 542 CG ARG A 82 -9.070 13.619 21.425 1.00 22.43 C +ATOM 543 CD ARG A 82 -9.446 14.770 20.504 1.00 24.87 C +ATOM 544 NE ARG A 82 -10.426 15.658 21.127 1.00 29.62 N +ATOM 545 CZ ARG A 82 -10.791 16.838 20.633 1.00 31.37 C +ATOM 546 NH1 ARG A 82 -10.259 17.286 19.503 1.00 33.09 N +ATOM 547 NH2 ARG A 82 -11.692 17.573 21.268 1.00 31.49 N +ATOM 548 N ILE A 83 -6.282 11.667 22.840 1.00 19.56 N +ATOM 549 CA ILE A 83 -5.712 10.446 22.281 1.00 19.10 C +ATOM 550 C ILE A 83 -5.865 9.279 23.255 1.00 18.80 C +ATOM 551 O ILE A 83 -6.184 8.160 22.845 1.00 18.15 O +ATOM 552 CB ILE A 83 -4.228 10.650 21.920 1.00 17.55 C +ATOM 553 CG1 ILE A 83 -4.131 11.582 20.711 1.00 21.17 C +ATOM 554 CG2 ILE A 83 -3.560 9.316 21.619 1.00 17.35 C +ATOM 555 CD1 ILE A 83 -2.705 11.842 20.234 1.00 23.52 C +ATOM 556 N ALA A 84 -5.649 9.540 24.542 1.00 18.69 N +ATOM 557 CA ALA A 84 -5.787 8.492 25.552 1.00 19.52 C +ATOM 558 C ALA A 84 -7.221 7.973 25.539 1.00 20.89 C +ATOM 559 O ALA A 84 -7.451 6.763 25.538 1.00 22.39 O +ATOM 560 CB ALA A 84 -5.446 9.035 26.931 1.00 17.63 C +ATOM 561 N LYS A 85 -8.183 8.891 25.515 1.00 23.12 N +ATOM 562 CA LYS A 85 -9.592 8.512 25.497 1.00 26.94 C +ATOM 563 C LYS A 85 -9.918 7.716 24.238 1.00 26.48 C +ATOM 564 O LYS A 85 -10.805 6.868 24.242 1.00 26.37 O +ATOM 565 CB LYS A 85 -10.479 9.756 25.573 1.00 30.32 C +ATOM 566 CG LYS A 85 -10.364 10.501 26.894 1.00 37.26 C +ATOM 567 CD LYS A 85 -11.279 11.719 26.964 1.00 41.65 C +ATOM 568 CE LYS A 85 -12.756 11.335 26.950 1.00 45.87 C +ATOM 569 NZ LYS A 85 -13.188 10.736 25.655 1.00 47.92 N +ATOM 570 N LEU A 86 -9.187 7.991 23.163 1.00 26.33 N +ATOM 571 CA LEU A 86 -9.392 7.299 21.896 1.00 25.06 C +ATOM 572 C LEU A 86 -8.667 5.952 21.849 1.00 24.06 C +ATOM 573 O LEU A 86 -8.756 5.229 20.857 1.00 22.64 O +ATOM 574 CB LEU A 86 -8.936 8.195 20.738 1.00 25.32 C +ATOM 575 CG LEU A 86 -9.997 9.062 20.046 1.00 26.78 C +ATOM 576 CD1 LEU A 86 -11.071 9.504 21.021 1.00 27.88 C +ATOM 577 CD2 LEU A 86 -9.316 10.256 19.401 1.00 24.84 C +ATOM 578 N GLY A 87 -7.952 5.620 22.923 1.00 23.14 N +ATOM 579 CA GLY A 87 -7.252 4.348 22.983 1.00 21.46 C +ATOM 580 C GLY A 87 -5.738 4.403 22.879 1.00 21.68 C +ATOM 581 O GLY A 87 -5.076 3.363 22.812 1.00 21.11 O +ATOM 582 N GLY A 88 -5.176 5.606 22.863 1.00 21.37 N +ATOM 583 CA GLY A 88 -3.731 5.721 22.768 1.00 20.21 C +ATOM 584 C GLY A 88 -3.247 5.950 21.349 1.00 19.14 C +ATOM 585 O GLY A 88 -3.972 5.699 20.387 1.00 18.77 O +ATOM 586 N LEU A 89 -2.006 6.412 21.225 1.00 17.17 N +ATOM 587 CA LEU A 89 -1.405 6.714 19.929 1.00 16.41 C +ATOM 588 C LEU A 89 -1.281 5.514 18.984 1.00 15.91 C +ATOM 589 O LEU A 89 -1.547 5.639 17.791 1.00 14.63 O +ATOM 590 CB LEU A 89 -0.032 7.364 20.149 1.00 15.11 C +ATOM 591 CG LEU A 89 0.758 7.910 18.958 1.00 16.07 C +ATOM 592 CD1 LEU A 89 -0.114 8.880 18.178 1.00 15.70 C +ATOM 593 CD2 LEU A 89 2.035 8.615 19.462 1.00 10.40 C +ATOM 594 N HIS A 90 -0.880 4.357 19.507 1.00 15.67 N +ATOM 595 CA HIS A 90 -0.732 3.171 18.673 1.00 15.87 C +ATOM 596 C HIS A 90 -2.038 2.869 17.955 1.00 16.20 C +ATOM 597 O HIS A 90 -2.071 2.693 16.739 1.00 17.41 O +ATOM 598 CB HIS A 90 -0.325 1.950 19.511 1.00 13.81 C +ATOM 599 CG HIS A 90 1.052 2.044 20.093 1.00 13.52 C +ATOM 600 ND1 HIS A 90 1.322 2.716 21.266 1.00 12.66 N +ATOM 601 CD2 HIS A 90 2.240 1.571 19.648 1.00 10.05 C +ATOM 602 CE1 HIS A 90 2.618 2.656 21.518 1.00 11.46 C +ATOM 603 NE2 HIS A 90 3.198 1.966 20.552 1.00 11.44 N +ATOM 604 N SER A 91 -3.109 2.802 18.732 1.00 16.84 N +ATOM 605 CA SER A 91 -4.432 2.528 18.206 1.00 17.51 C +ATOM 606 C SER A 91 -4.874 3.656 17.275 1.00 17.45 C +ATOM 607 O SER A 91 -5.362 3.413 16.174 1.00 16.78 O +ATOM 608 CB SER A 91 -5.415 2.387 19.374 1.00 17.13 C +ATOM 609 OG SER A 91 -6.744 2.280 18.915 1.00 22.60 O +ATOM 610 N PHE A 92 -4.686 4.889 17.732 1.00 15.87 N +ATOM 611 CA PHE A 92 -5.062 6.087 16.982 1.00 16.80 C +ATOM 612 C PHE A 92 -4.497 6.114 15.557 1.00 16.82 C +ATOM 613 O PHE A 92 -5.248 6.254 14.589 1.00 17.53 O +ATOM 614 CB PHE A 92 -4.594 7.325 17.765 1.00 13.63 C +ATOM 615 CG PHE A 92 -5.113 8.633 17.234 1.00 13.96 C +ATOM 616 CD1 PHE A 92 -6.476 8.860 17.108 1.00 14.41 C +ATOM 617 CD2 PHE A 92 -4.235 9.660 16.915 1.00 11.41 C +ATOM 618 CE1 PHE A 92 -6.957 10.094 16.675 1.00 14.98 C +ATOM 619 CE2 PHE A 92 -4.701 10.894 16.482 1.00 13.34 C +ATOM 620 CZ PHE A 92 -6.066 11.115 16.361 1.00 13.41 C +ATOM 621 N MET A 93 -3.182 5.951 15.426 1.00 15.61 N +ATOM 622 CA MET A 93 -2.546 5.999 14.112 1.00 15.32 C +ATOM 623 C MET A 93 -2.355 4.651 13.407 1.00 14.48 C +ATOM 624 O MET A 93 -1.973 4.611 12.235 1.00 15.12 O +ATOM 625 CB MET A 93 -1.198 6.738 14.210 1.00 16.43 C +ATOM 626 CG MET A 93 -0.085 5.983 14.926 1.00 18.94 C +ATOM 627 SD MET A 93 1.435 6.990 15.075 1.00 18.96 S +ATOM 628 CE MET A 93 2.031 6.957 13.380 1.00 16.76 C +ATOM 629 N GLY A 94 -2.619 3.553 14.107 1.00 12.58 N +ATOM 630 CA GLY A 94 -2.475 2.246 13.487 1.00 12.06 C +ATOM 631 C GLY A 94 -1.068 1.676 13.395 1.00 13.84 C +ATOM 632 O GLY A 94 -0.740 0.980 12.434 1.00 12.94 O +ATOM 633 N TRP A 95 -0.231 1.981 14.381 1.00 13.15 N +ATOM 634 CA TRP A 95 1.139 1.457 14.448 1.00 15.98 C +ATOM 635 C TRP A 95 1.180 0.692 15.769 1.00 14.67 C +ATOM 636 O TRP A 95 1.046 1.298 16.830 1.00 15.00 O +ATOM 637 CB TRP A 95 2.157 2.609 14.456 1.00 14.98 C +ATOM 638 CG TRP A 95 3.571 2.167 14.718 1.00 16.59 C +ATOM 639 CD1 TRP A 95 4.204 2.110 15.929 1.00 15.44 C +ATOM 640 CD2 TRP A 95 4.525 1.711 13.747 1.00 16.29 C +ATOM 641 NE1 TRP A 95 5.491 1.650 15.774 1.00 16.70 N +ATOM 642 CE2 TRP A 95 5.716 1.398 14.445 1.00 16.45 C +ATOM 643 CE3 TRP A 95 4.490 1.536 12.356 1.00 13.56 C +ATOM 644 CZ2 TRP A 95 6.864 0.921 13.797 1.00 16.79 C +ATOM 645 CZ3 TRP A 95 5.634 1.061 11.713 1.00 15.24 C +ATOM 646 CH2 TRP A 95 6.804 0.760 12.437 1.00 13.99 C +ATOM 647 N ASP A 96 1.330 -0.632 15.708 1.00 15.48 N +ATOM 648 CA ASP A 96 1.324 -1.436 16.930 1.00 16.20 C +ATOM 649 C ASP A 96 2.685 -1.812 17.496 1.00 14.84 C +ATOM 650 O ASP A 96 2.762 -2.583 18.451 1.00 14.81 O +ATOM 651 CB ASP A 96 0.496 -2.715 16.737 1.00 18.27 C +ATOM 652 CG ASP A 96 1.060 -3.635 15.665 1.00 21.60 C +ATOM 653 OD1 ASP A 96 2.262 -3.543 15.343 1.00 21.74 O +ATOM 654 OD2 ASP A 96 0.295 -4.475 15.153 1.00 24.16 O +ATOM 655 N ARG A 97 3.749 -1.260 16.924 1.00 14.92 N +ATOM 656 CA ARG A 97 5.098 -1.541 17.398 1.00 15.05 C +ATOM 657 C ARG A 97 5.576 -0.437 18.341 1.00 14.00 C +ATOM 658 O ARG A 97 4.831 0.497 18.631 1.00 13.43 O +ATOM 659 CB ARG A 97 6.042 -1.723 16.202 1.00 15.63 C +ATOM 660 CG ARG A 97 5.844 -3.080 15.527 1.00 19.35 C +ATOM 661 CD ARG A 97 6.611 -3.230 14.228 1.00 19.18 C +ATOM 662 NE ARG A 97 6.368 -4.547 13.647 1.00 23.51 N +ATOM 663 CZ ARG A 97 6.964 -5.668 14.044 1.00 26.96 C +ATOM 664 NH1 ARG A 97 7.856 -5.639 15.027 1.00 26.35 N +ATOM 665 NH2 ARG A 97 6.657 -6.824 13.465 1.00 26.11 N +ATOM 666 N PRO A 98 6.809 -0.545 18.859 1.00 12.40 N +ATOM 667 CA PRO A 98 7.279 0.498 19.770 1.00 13.50 C +ATOM 668 C PRO A 98 7.253 1.912 19.204 1.00 14.17 C +ATOM 669 O PRO A 98 7.412 2.132 18.001 1.00 13.57 O +ATOM 670 CB PRO A 98 8.699 0.048 20.111 1.00 13.24 C +ATOM 671 CG PRO A 98 8.606 -1.439 20.019 1.00 11.02 C +ATOM 672 CD PRO A 98 7.800 -1.633 18.761 1.00 11.69 C +ATOM 673 N ILE A 99 7.048 2.864 20.102 1.00 13.80 N +ATOM 674 CA ILE A 99 7.022 4.272 19.758 1.00 14.23 C +ATOM 675 C ILE A 99 7.807 5.012 20.823 1.00 13.39 C +ATOM 676 O ILE A 99 7.565 4.837 22.013 1.00 15.85 O +ATOM 677 CB ILE A 99 5.588 4.840 19.767 1.00 14.09 C +ATOM 678 CG1 ILE A 99 4.808 4.335 18.549 1.00 12.14 C +ATOM 679 CG2 ILE A 99 5.632 6.359 19.806 1.00 13.31 C +ATOM 680 CD1 ILE A 99 3.366 4.833 18.517 1.00 11.81 C +ATOM 681 N LEU A 100 8.755 5.825 20.393 1.00 15.28 N +ATOM 682 CA LEU A 100 9.530 6.634 21.318 1.00 15.25 C +ATOM 683 C LEU A 100 8.996 8.056 21.154 1.00 15.73 C +ATOM 684 O LEU A 100 8.836 8.541 20.037 1.00 15.80 O +ATOM 685 CB LEU A 100 11.024 6.572 20.963 1.00 15.84 C +ATOM 686 CG LEU A 100 12.007 7.356 21.849 1.00 15.28 C +ATOM 687 CD1 LEU A 100 13.388 6.724 21.744 1.00 13.06 C +ATOM 688 CD2 LEU A 100 12.049 8.824 21.434 1.00 12.89 C +ATOM 689 N THR A 101 8.678 8.716 22.258 1.00 15.63 N +ATOM 690 CA THR A 101 8.187 10.085 22.177 1.00 17.26 C +ATOM 691 C THR A 101 9.202 11.028 22.811 1.00 17.93 C +ATOM 692 O THR A 101 9.809 10.689 23.833 1.00 17.16 O +ATOM 693 CB THR A 101 6.840 10.250 22.912 1.00 18.23 C +ATOM 694 OG1 THR A 101 6.959 9.745 24.250 1.00 18.72 O +ATOM 695 CG2 THR A 101 5.736 9.492 22.179 1.00 18.38 C +ATOM 696 N ASP A 102 9.420 12.190 22.198 1.00 16.97 N +ATOM 697 CA ASP A 102 10.343 13.151 22.789 1.00 20.26 C +ATOM 698 C ASP A 102 9.553 13.812 23.917 1.00 20.99 C +ATOM 699 O ASP A 102 8.350 13.604 24.027 1.00 19.06 O +ATOM 700 CB ASP A 102 10.818 14.197 21.768 1.00 22.17 C +ATOM 701 CG ASP A 102 9.677 14.900 21.057 1.00 25.16 C +ATOM 702 OD1 ASP A 102 8.543 14.915 21.575 1.00 28.38 O +ATOM 703 OD2 ASP A 102 9.926 15.460 19.973 1.00 30.38 O +ATOM 704 N SER A 103 10.215 14.604 24.749 1.00 22.98 N +ATOM 705 CA SER A 103 9.544 15.237 25.878 1.00 24.65 C +ATOM 706 C SER A 103 8.758 16.513 25.565 1.00 25.69 C +ATOM 707 O SER A 103 7.943 16.950 26.375 1.00 25.64 O +ATOM 708 CB SER A 103 10.568 15.527 26.973 1.00 25.69 C +ATOM 709 OG SER A 103 11.621 16.331 26.476 1.00 28.44 O +ATOM 710 N GLY A 104 9.005 17.113 24.406 1.00 26.80 N +ATOM 711 CA GLY A 104 8.299 18.331 24.047 1.00 28.70 C +ATOM 712 C GLY A 104 9.081 19.575 24.425 1.00 32.25 C +ATOM 713 O GLY A 104 8.888 20.641 23.845 1.00 33.85 O +ATOM 714 N GLY A 105 9.972 19.438 25.399 1.00 34.64 N +ATOM 715 CA GLY A 105 10.771 20.571 25.830 1.00 38.50 C +ATOM 716 C GLY A 105 11.495 21.290 24.704 1.00 40.54 C +ATOM 717 O GLY A 105 11.478 22.520 24.638 1.00 40.64 O +ATOM 718 N TYR A 106 12.128 20.528 23.815 1.00 41.20 N +ATOM 719 CA TYR A 106 12.869 21.103 22.698 1.00 42.81 C +ATOM 720 C TYR A 106 12.008 21.992 21.809 1.00 43.34 C +ATOM 721 O TYR A 106 12.275 23.183 21.671 1.00 42.45 O +ATOM 722 CB TYR A 106 13.474 19.995 21.841 1.00 45.98 C +ATOM 723 CG TYR A 106 14.374 20.492 20.731 1.00 48.42 C +ATOM 724 CD1 TYR A 106 15.734 20.702 20.952 1.00 50.56 C +ATOM 725 CD2 TYR A 106 13.865 20.749 19.456 1.00 51.17 C +ATOM 726 CE1 TYR A 106 16.572 21.154 19.928 1.00 52.44 C +ATOM 727 CE2 TYR A 106 14.692 21.204 18.425 1.00 52.73 C +ATOM 728 CZ TYR A 106 16.046 21.403 18.668 1.00 53.64 C +ATOM 729 OH TYR A 106 16.874 21.841 17.653 1.00 54.96 O +ATOM 730 N GLN A 107 10.984 21.402 21.199 1.00 43.98 N +ATOM 731 CA GLN A 107 10.092 22.136 20.307 1.00 45.79 C +ATOM 732 C GLN A 107 9.485 23.374 20.953 1.00 47.35 C +ATOM 733 O GLN A 107 9.273 24.382 20.281 1.00 48.49 O +ATOM 734 CB GLN A 107 8.965 21.231 19.801 1.00 44.48 C +ATOM 735 CG GLN A 107 9.402 20.106 18.873 1.00 43.66 C +ATOM 736 CD GLN A 107 10.343 19.129 19.541 1.00 43.94 C +ATOM 737 OE1 GLN A 107 10.230 18.862 20.740 1.00 43.73 O +ATOM 738 NE2 GLN A 107 11.270 18.574 18.766 1.00 44.47 N +ATOM 739 N VAL A 108 9.195 23.300 22.248 1.00 49.33 N +ATOM 740 CA VAL A 108 8.616 24.443 22.948 1.00 51.52 C +ATOM 741 C VAL A 108 9.572 25.630 22.885 1.00 52.77 C +ATOM 742 O VAL A 108 9.146 26.782 22.868 1.00 53.21 O +ATOM 743 CB VAL A 108 8.325 24.122 24.433 1.00 50.31 C +ATOM 744 CG1 VAL A 108 7.824 25.369 25.145 1.00 52.80 C +ATOM 745 CG2 VAL A 108 7.285 23.026 24.534 1.00 51.38 C +ATOM 746 N MET A 109 10.867 25.340 22.846 1.00 54.31 N +ATOM 747 CA MET A 109 11.878 26.386 22.785 1.00 56.68 C +ATOM 748 C MET A 109 12.239 26.763 21.355 1.00 58.15 C +ATOM 749 O MET A 109 13.077 27.635 21.132 1.00 59.09 O +ATOM 750 CB MET A 109 13.136 25.941 23.532 1.00 57.73 C +ATOM 751 CG MET A 109 12.957 25.861 25.036 1.00 58.85 C +ATOM 752 SD MET A 109 12.290 27.410 25.682 1.00 62.41 S +ATOM 753 CE MET A 109 13.673 28.515 25.370 1.00 61.32 C +ATOM 754 N SER A 110 11.601 26.111 20.388 1.00 59.43 N +ATOM 755 CA SER A 110 11.870 26.379 18.979 1.00 60.17 C +ATOM 756 C SER A 110 10.653 26.930 18.238 1.00 60.53 C +ATOM 757 O SER A 110 10.689 28.034 17.699 1.00 60.97 O +ATOM 758 CB SER A 110 12.345 25.099 18.283 1.00 60.35 C +ATOM 759 OG SER A 110 13.508 24.578 18.902 1.00 60.73 O +ATOM 760 N LEU A 111 9.578 26.151 18.220 1.00 61.10 N +ATOM 761 CA LEU A 111 8.352 26.533 17.528 1.00 62.37 C +ATOM 762 C LEU A 111 7.427 27.436 18.341 1.00 63.20 C +ATOM 763 O LEU A 111 6.857 28.389 17.810 1.00 63.91 O +ATOM 764 CB LEU A 111 7.589 25.277 17.103 1.00 62.61 C +ATOM 765 CG LEU A 111 8.211 24.391 16.019 1.00 62.51 C +ATOM 766 CD1 LEU A 111 9.643 24.020 16.371 1.00 62.03 C +ATOM 767 CD2 LEU A 111 7.361 23.146 15.865 1.00 62.25 C +ATOM 768 N SER A 112 7.273 27.129 19.624 1.00 63.67 N +ATOM 769 CA SER A 112 6.406 27.908 20.502 1.00 64.10 C +ATOM 770 C SER A 112 6.778 29.390 20.550 1.00 64.81 C +ATOM 771 O SER A 112 7.820 29.801 20.036 1.00 64.98 O +ATOM 772 CB SER A 112 6.440 27.325 21.914 1.00 63.29 C +ATOM 773 OG SER A 112 5.658 28.104 22.798 1.00 62.62 O +ATOM 774 N SER A 113 5.914 30.189 21.172 1.00 65.36 N +ATOM 775 CA SER A 113 6.142 31.625 21.294 1.00 66.03 C +ATOM 776 C SER A 113 5.838 32.126 22.704 1.00 65.82 C +ATOM 777 O SER A 113 4.995 31.565 23.405 1.00 65.81 O +ATOM 778 CB SER A 113 5.280 32.385 20.281 1.00 66.23 C +ATOM 779 OG SER A 113 5.623 32.032 18.952 1.00 67.04 O +ATOM 780 N LEU A 114 6.536 33.183 23.110 1.00 65.68 N +ATOM 781 CA LEU A 114 6.358 33.781 24.431 1.00 65.17 C +ATOM 782 C LEU A 114 6.541 32.759 25.551 1.00 63.91 C +ATOM 783 O LEU A 114 5.755 32.704 26.499 1.00 63.54 O +ATOM 784 CB LEU A 114 4.972 34.429 24.535 1.00 66.01 C +ATOM 785 CG LEU A 114 4.685 35.570 23.551 1.00 66.75 C +ATOM 786 CD1 LEU A 114 3.294 36.133 23.810 1.00 66.53 C +ATOM 787 CD2 LEU A 114 5.741 36.661 23.703 1.00 66.54 C +ATOM 788 N THR A 115 7.595 31.958 25.435 1.00 62.47 N +ATOM 789 CA THR A 115 7.892 30.933 26.426 1.00 60.83 C +ATOM 790 C THR A 115 8.497 31.526 27.692 1.00 59.10 C +ATOM 791 O THR A 115 9.446 32.308 27.632 1.00 59.77 O +ATOM 792 CB THR A 115 8.879 29.890 25.870 1.00 60.54 C +ATOM 793 OG1 THR A 115 10.090 30.544 25.477 1.00 61.20 O +ATOM 794 CG2 THR A 115 8.282 29.179 24.671 1.00 60.68 C +ATOM 795 N LYS A 116 7.939 31.148 28.837 1.00 56.66 N +ATOM 796 CA LYS A 116 8.426 31.616 30.128 1.00 53.51 C +ATOM 797 C LYS A 116 9.003 30.395 30.844 1.00 50.25 C +ATOM 798 O LYS A 116 8.279 29.449 31.154 1.00 49.20 O +ATOM 799 CB LYS A 116 7.277 32.224 30.937 1.00 54.62 C +ATOM 800 CG LYS A 116 7.727 33.046 32.132 1.00 56.82 C +ATOM 801 CD LYS A 116 6.546 33.696 32.842 1.00 57.85 C +ATOM 802 CE LYS A 116 7.014 34.604 33.973 1.00 58.50 C +ATOM 803 NZ LYS A 116 5.875 35.226 34.707 1.00 58.76 N +ATOM 804 N GLN A 117 10.308 30.417 31.093 1.00 46.68 N +ATOM 805 CA GLN A 117 10.985 29.299 31.739 1.00 43.61 C +ATOM 806 C GLN A 117 11.322 29.546 33.199 1.00 41.55 C +ATOM 807 O GLN A 117 11.722 30.645 33.582 1.00 41.26 O +ATOM 808 CB GLN A 117 12.267 28.974 30.985 1.00 44.03 C +ATOM 809 CG GLN A 117 12.067 28.811 29.497 1.00 47.25 C +ATOM 810 CD GLN A 117 13.376 28.691 28.762 1.00 49.06 C +ATOM 811 OE1 GLN A 117 14.097 27.704 28.914 1.00 49.64 O +ATOM 812 NE2 GLN A 117 13.701 29.704 27.965 1.00 49.79 N +ATOM 813 N SER A 118 11.166 28.503 34.006 1.00 38.21 N +ATOM 814 CA SER A 118 11.456 28.572 35.431 1.00 35.47 C +ATOM 815 C SER A 118 11.888 27.189 35.889 1.00 33.88 C +ATOM 816 O SER A 118 11.871 26.236 35.109 1.00 31.47 O +ATOM 817 CB SER A 118 10.214 28.998 36.212 1.00 35.49 C +ATOM 818 OG SER A 118 9.245 27.967 36.214 1.00 36.79 O +ATOM 819 N GLU A 119 12.269 27.078 37.156 1.00 32.26 N +ATOM 820 CA GLU A 119 12.702 25.800 37.697 1.00 31.12 C +ATOM 821 C GLU A 119 11.557 24.792 37.670 1.00 30.83 C +ATOM 822 O GLU A 119 11.786 23.581 37.694 1.00 31.79 O +ATOM 823 CB GLU A 119 13.205 25.972 39.134 1.00 29.77 C +ATOM 824 CG GLU A 119 13.736 24.693 39.753 1.00 28.12 C +ATOM 825 CD GLU A 119 14.966 24.168 39.042 1.00 28.63 C +ATOM 826 OE1 GLU A 119 15.314 22.992 39.259 1.00 31.51 O +ATOM 827 OE2 GLU A 119 15.588 24.929 38.274 1.00 26.18 O +ATOM 828 N GLU A 120 10.326 25.287 37.613 1.00 29.01 N +ATOM 829 CA GLU A 120 9.174 24.397 37.600 1.00 31.97 C +ATOM 830 C GLU A 120 8.925 23.802 36.217 1.00 31.56 C +ATOM 831 O GLU A 120 8.480 22.663 36.097 1.00 30.46 O +ATOM 832 CB GLU A 120 7.922 25.130 38.082 1.00 33.91 C +ATOM 833 CG GLU A 120 6.718 24.215 38.244 1.00 40.84 C +ATOM 834 CD GLU A 120 6.959 23.093 39.251 1.00 44.37 C +ATOM 835 OE1 GLU A 120 6.090 22.198 39.359 1.00 45.87 O +ATOM 836 OE2 GLU A 120 8.011 23.105 39.938 1.00 45.31 O +ATOM 837 N GLY A 121 9.219 24.573 35.175 1.00 31.55 N +ATOM 838 CA GLY A 121 9.021 24.082 33.825 1.00 33.31 C +ATOM 839 C GLY A 121 9.050 25.195 32.802 1.00 34.75 C +ATOM 840 O GLY A 121 9.838 26.136 32.906 1.00 34.56 O +ATOM 841 N VAL A 122 8.190 25.090 31.799 1.00 35.00 N +ATOM 842 CA VAL A 122 8.126 26.111 30.771 1.00 36.09 C +ATOM 843 C VAL A 122 6.683 26.425 30.408 1.00 37.81 C +ATOM 844 O VAL A 122 5.851 25.528 30.271 1.00 37.65 O +ATOM 845 CB VAL A 122 8.901 25.679 29.503 1.00 35.67 C +ATOM 846 CG1 VAL A 122 8.417 24.320 29.029 1.00 35.25 C +ATOM 847 CG2 VAL A 122 8.727 26.724 28.409 1.00 36.74 C +ATOM 848 N THR A 123 6.393 27.714 30.282 1.00 39.70 N +ATOM 849 CA THR A 123 5.065 28.179 29.916 1.00 42.01 C +ATOM 850 C THR A 123 5.191 28.687 28.493 1.00 42.88 C +ATOM 851 O THR A 123 6.215 29.265 28.133 1.00 43.30 O +ATOM 852 CB THR A 123 4.607 29.324 30.832 1.00 42.90 C +ATOM 853 OG1 THR A 123 4.476 28.833 32.171 1.00 43.99 O +ATOM 854 CG2 THR A 123 3.271 29.883 30.367 1.00 44.34 C +ATOM 855 N PHE A 124 4.166 28.473 27.678 1.00 44.09 N +ATOM 856 CA PHE A 124 4.239 28.907 26.292 1.00 46.30 C +ATOM 857 C PHE A 124 2.886 29.019 25.607 1.00 47.44 C +ATOM 858 O PHE A 124 1.893 28.456 26.066 1.00 47.02 O +ATOM 859 CB PHE A 124 5.106 27.931 25.500 1.00 46.20 C +ATOM 860 CG PHE A 124 4.560 26.527 25.464 1.00 47.31 C +ATOM 861 CD1 PHE A 124 4.677 25.689 26.571 1.00 47.75 C +ATOM 862 CD2 PHE A 124 3.912 26.047 24.330 1.00 47.12 C +ATOM 863 CE1 PHE A 124 4.157 24.394 26.547 1.00 47.37 C +ATOM 864 CE2 PHE A 124 3.388 24.755 24.297 1.00 46.64 C +ATOM 865 CZ PHE A 124 3.511 23.927 25.407 1.00 47.36 C +ATOM 866 N LYS A 125 2.867 29.750 24.497 1.00 49.84 N +ATOM 867 CA LYS A 125 1.660 29.936 23.702 1.00 52.98 C +ATOM 868 C LYS A 125 1.771 29.120 22.416 1.00 53.97 C +ATOM 869 O LYS A 125 2.759 29.221 21.686 1.00 54.36 O +ATOM 870 CB LYS A 125 1.458 31.416 23.361 1.00 54.03 C +ATOM 871 CG LYS A 125 0.994 32.270 24.533 1.00 56.80 C +ATOM 872 CD LYS A 125 0.670 33.693 24.090 1.00 58.51 C +ATOM 873 CE LYS A 125 0.135 34.530 25.245 1.00 59.68 C +ATOM 874 NZ LYS A 125 -0.152 35.937 24.837 1.00 60.56 N +ATOM 875 N SER A 126 0.754 28.309 22.148 1.00 55.37 N +ATOM 876 CA SER A 126 0.732 27.468 20.957 1.00 56.84 C +ATOM 877 C SER A 126 0.892 28.286 19.682 1.00 58.28 C +ATOM 878 O SER A 126 0.260 29.331 19.523 1.00 57.89 O +ATOM 879 CB SER A 126 -0.582 26.687 20.892 1.00 56.46 C +ATOM 880 OG SER A 126 -0.655 25.918 19.705 1.00 55.87 O +ATOM 881 N HIS A 127 1.737 27.808 18.774 1.00 59.88 N +ATOM 882 CA HIS A 127 1.945 28.504 17.512 1.00 62.20 C +ATOM 883 C HIS A 127 0.728 28.305 16.614 1.00 63.71 C +ATOM 884 O HIS A 127 0.746 28.668 15.439 1.00 63.95 O +ATOM 885 CB HIS A 127 3.210 27.998 16.808 1.00 62.53 C +ATOM 886 CG HIS A 127 3.192 26.533 16.498 1.00 62.87 C +ATOM 887 ND1 HIS A 127 3.234 25.563 17.477 1.00 62.84 N +ATOM 888 CD2 HIS A 127 3.154 25.872 15.316 1.00 63.05 C +ATOM 889 CE1 HIS A 127 3.225 24.369 16.911 1.00 63.33 C +ATOM 890 NE2 HIS A 127 3.176 24.528 15.601 1.00 62.49 N +ATOM 891 N LEU A 128 -0.326 27.723 17.181 1.00 65.79 N +ATOM 892 CA LEU A 128 -1.571 27.481 16.458 1.00 67.86 C +ATOM 893 C LEU A 128 -2.681 28.383 16.993 1.00 69.42 C +ATOM 894 O LEU A 128 -3.062 29.364 16.355 1.00 70.30 O +ATOM 895 CB LEU A 128 -2.018 26.020 16.599 1.00 67.57 C +ATOM 896 CG LEU A 128 -1.247 24.892 15.908 1.00 67.59 C +ATOM 897 CD1 LEU A 128 0.123 24.753 16.527 1.00 67.37 C +ATOM 898 CD2 LEU A 128 -2.019 23.586 16.048 1.00 66.81 C +ATOM 899 N ASP A 129 -3.192 28.040 18.173 1.00 71.07 N +ATOM 900 CA ASP A 129 -4.273 28.790 18.802 1.00 72.27 C +ATOM 901 C ASP A 129 -3.783 29.951 19.657 1.00 72.71 C +ATOM 902 O ASP A 129 -4.582 30.768 20.115 1.00 72.99 O +ATOM 903 CB ASP A 129 -5.122 27.859 19.672 1.00 73.54 C +ATOM 904 CG ASP A 129 -5.741 26.720 18.882 1.00 75.07 C +ATOM 905 OD1 ASP A 129 -4.983 25.906 18.311 1.00 75.76 O +ATOM 906 OD2 ASP A 129 -6.987 26.638 18.832 1.00 75.60 O +ATOM 907 N GLY A 130 -2.475 30.027 19.874 1.00 72.90 N +ATOM 908 CA GLY A 130 -1.936 31.097 20.693 1.00 72.81 C +ATOM 909 C GLY A 130 -2.237 30.846 22.159 1.00 73.10 C +ATOM 910 O GLY A 130 -1.885 31.647 23.026 1.00 73.39 O +ATOM 911 N SER A 131 -2.897 29.724 22.431 1.00 72.72 N +ATOM 912 CA SER A 131 -3.257 29.335 23.791 1.00 72.39 C +ATOM 913 C SER A 131 -2.016 29.071 24.642 1.00 71.94 C +ATOM 914 O SER A 131 -0.951 28.754 24.114 1.00 71.67 O +ATOM 915 CB SER A 131 -4.138 28.083 23.751 1.00 72.72 C +ATOM 916 OG SER A 131 -3.558 27.074 22.939 1.00 72.15 O +ATOM 917 N ARG A 132 -2.158 29.200 25.959 1.00 71.53 N +ATOM 918 CA ARG A 132 -1.042 28.981 26.875 1.00 70.83 C +ATOM 919 C ARG A 132 -0.997 27.557 27.415 1.00 69.40 C +ATOM 920 O ARG A 132 -2.016 26.868 27.474 1.00 69.39 O +ATOM 921 CB ARG A 132 -1.113 29.954 28.054 1.00 72.60 C +ATOM 922 CG ARG A 132 0.048 29.811 29.032 1.00 74.83 C +ATOM 923 CD ARG A 132 -0.232 30.517 30.349 1.00 77.10 C +ATOM 924 NE ARG A 132 -0.460 31.949 30.175 1.00 79.24 N +ATOM 925 CZ ARG A 132 -0.783 32.778 31.164 1.00 80.07 C +ATOM 926 NH1 ARG A 132 -0.917 32.317 32.402 1.00 80.38 N +ATOM 927 NH2 ARG A 132 -0.975 34.067 30.916 1.00 80.46 N +ATOM 928 N HIS A 133 0.198 27.132 27.815 1.00 67.31 N +ATOM 929 CA HIS A 133 0.417 25.798 28.359 1.00 64.56 C +ATOM 930 C HIS A 133 1.641 25.818 29.276 1.00 61.57 C +ATOM 931 O HIS A 133 2.588 26.570 29.040 1.00 60.65 O +ATOM 932 CB HIS A 133 0.657 24.794 27.225 1.00 66.21 C +ATOM 933 CG HIS A 133 -0.458 24.722 26.227 1.00 67.68 C +ATOM 934 ND1 HIS A 133 -1.709 24.236 26.539 1.00 68.66 N +ATOM 935 CD2 HIS A 133 -0.508 25.077 24.921 1.00 68.14 C +ATOM 936 CE1 HIS A 133 -2.482 24.294 25.469 1.00 68.47 C +ATOM 937 NE2 HIS A 133 -1.778 24.801 24.473 1.00 67.83 N +ATOM 938 N MET A 134 1.610 25.000 30.325 1.00 57.90 N +ATOM 939 CA MET A 134 2.728 24.902 31.261 1.00 53.53 C +ATOM 940 C MET A 134 3.255 23.477 31.247 1.00 49.90 C +ATOM 941 O MET A 134 2.686 22.585 31.879 1.00 51.37 O +ATOM 942 CB MET A 134 2.300 25.287 32.684 1.00 54.73 C +ATOM 943 CG MET A 134 3.200 24.736 33.808 1.00 55.76 C +ATOM 944 SD MET A 134 4.995 25.030 33.650 1.00 58.12 S +ATOM 945 CE MET A 134 5.231 26.447 34.735 1.00 55.76 C +ATOM 946 N LEU A 135 4.345 23.277 30.516 1.00 43.27 N +ATOM 947 CA LEU A 135 4.972 21.972 30.399 1.00 37.11 C +ATOM 948 C LEU A 135 6.069 21.842 31.453 1.00 34.85 C +ATOM 949 O LEU A 135 6.908 22.729 31.608 1.00 32.92 O +ATOM 950 CB LEU A 135 5.556 21.816 28.993 1.00 35.77 C +ATOM 951 CG LEU A 135 5.808 20.411 28.450 1.00 35.33 C +ATOM 952 CD1 LEU A 135 4.556 19.550 28.596 1.00 32.39 C +ATOM 953 CD2 LEU A 135 6.213 20.519 26.987 1.00 30.68 C +ATOM 954 N SER A 136 6.050 20.731 32.179 1.00 32.77 N +ATOM 955 CA SER A 136 7.027 20.472 33.228 1.00 30.58 C +ATOM 956 C SER A 136 7.473 19.023 33.142 1.00 29.50 C +ATOM 957 O SER A 136 6.949 18.256 32.338 1.00 29.30 O +ATOM 958 CB SER A 136 6.388 20.719 34.594 1.00 29.75 C +ATOM 959 OG SER A 136 5.268 19.868 34.777 1.00 29.05 O +ATOM 960 N PRO A 137 8.457 18.626 33.965 1.00 28.51 N +ATOM 961 CA PRO A 137 8.886 17.228 33.894 1.00 27.19 C +ATOM 962 C PRO A 137 7.700 16.292 34.169 1.00 26.33 C +ATOM 963 O PRO A 137 7.494 15.298 33.466 1.00 23.69 O +ATOM 964 CB PRO A 137 9.960 17.144 34.979 1.00 27.57 C +ATOM 965 CG PRO A 137 10.563 18.517 34.957 1.00 27.53 C +ATOM 966 CD PRO A 137 9.345 19.409 34.847 1.00 27.70 C +ATOM 967 N GLU A 138 6.910 16.633 35.184 1.00 24.09 N +ATOM 968 CA GLU A 138 5.757 15.824 35.565 1.00 22.43 C +ATOM 969 C GLU A 138 4.668 15.758 34.487 1.00 21.43 C +ATOM 970 O GLU A 138 4.121 14.684 34.209 1.00 19.86 O +ATOM 971 CB GLU A 138 5.160 16.344 36.883 1.00 22.27 C +ATOM 972 CG GLU A 138 6.094 16.223 38.095 1.00 19.94 C +ATOM 973 CD GLU A 138 7.209 17.269 38.116 1.00 21.08 C +ATOM 974 OE1 GLU A 138 8.205 17.065 38.845 1.00 20.60 O +ATOM 975 OE2 GLU A 138 7.090 18.298 37.417 1.00 18.99 O +ATOM 976 N ARG A 139 4.359 16.900 33.881 1.00 21.14 N +ATOM 977 CA ARG A 139 3.331 16.971 32.843 1.00 19.98 C +ATOM 978 C ARG A 139 3.779 16.307 31.543 1.00 19.75 C +ATOM 979 O ARG A 139 2.964 15.741 30.809 1.00 18.78 O +ATOM 980 CB ARG A 139 2.955 18.432 32.576 1.00 21.06 C +ATOM 981 CG ARG A 139 1.988 18.643 31.405 1.00 21.95 C +ATOM 982 CD ARG A 139 0.676 17.892 31.600 1.00 23.77 C +ATOM 983 NE ARG A 139 -0.235 18.078 30.467 1.00 24.27 N +ATOM 984 CZ ARG A 139 -1.384 17.427 30.315 1.00 24.03 C +ATOM 985 NH1 ARG A 139 -1.770 16.542 31.224 1.00 23.29 N +ATOM 986 NH2 ARG A 139 -2.148 17.655 29.251 1.00 23.97 N +ATOM 987 N SER A 140 5.075 16.384 31.261 1.00 17.69 N +ATOM 988 CA SER A 140 5.633 15.781 30.056 1.00 18.14 C +ATOM 989 C SER A 140 5.531 14.264 30.165 1.00 17.28 C +ATOM 990 O SER A 140 5.120 13.588 29.224 1.00 18.46 O +ATOM 991 CB SER A 140 7.100 16.183 29.891 1.00 15.63 C +ATOM 992 OG SER A 140 7.679 15.537 28.771 1.00 18.04 O +ATOM 993 N ILE A 141 5.913 13.739 31.324 1.00 17.46 N +ATOM 994 CA ILE A 141 5.859 12.308 31.568 1.00 17.06 C +ATOM 995 C ILE A 141 4.405 11.843 31.469 1.00 18.65 C +ATOM 996 O ILE A 141 4.116 10.805 30.869 1.00 18.26 O +ATOM 997 CB ILE A 141 6.425 11.962 32.975 1.00 19.23 C +ATOM 998 CG1 ILE A 141 7.914 12.310 33.040 1.00 19.53 C +ATOM 999 CG2 ILE A 141 6.189 10.487 33.302 1.00 18.82 C +ATOM 1000 CD1 ILE A 141 8.778 11.612 31.997 1.00 23.39 C +ATOM 1001 N GLU A 142 3.494 12.619 32.052 1.00 17.78 N +ATOM 1002 CA GLU A 142 2.076 12.279 32.022 1.00 19.96 C +ATOM 1003 C GLU A 142 1.541 12.238 30.592 1.00 19.25 C +ATOM 1004 O GLU A 142 0.818 11.320 30.219 1.00 18.67 O +ATOM 1005 CB GLU A 142 1.260 13.284 32.842 1.00 20.19 C +ATOM 1006 CG GLU A 142 -0.238 13.012 32.803 1.00 23.13 C +ATOM 1007 CD GLU A 142 -1.048 14.026 33.591 1.00 23.85 C +ATOM 1008 OE1 GLU A 142 -0.801 15.240 33.436 1.00 24.02 O +ATOM 1009 OE2 GLU A 142 -1.940 13.610 34.356 1.00 26.59 O +ATOM 1010 N ILE A 143 1.900 13.238 29.794 1.00 20.71 N +ATOM 1011 CA ILE A 143 1.460 13.297 28.407 1.00 19.22 C +ATOM 1012 C ILE A 143 1.969 12.080 27.629 1.00 18.34 C +ATOM 1013 O ILE A 143 1.219 11.455 26.884 1.00 17.83 O +ATOM 1014 CB ILE A 143 1.946 14.598 27.733 1.00 18.92 C +ATOM 1015 CG1 ILE A 143 1.219 15.795 28.354 1.00 22.33 C +ATOM 1016 CG2 ILE A 143 1.693 14.542 26.234 1.00 20.43 C +ATOM 1017 CD1 ILE A 143 1.588 17.143 27.744 1.00 23.84 C +ATOM 1018 N GLN A 144 3.242 11.742 27.803 1.00 16.24 N +ATOM 1019 CA GLN A 144 3.803 10.589 27.111 1.00 16.18 C +ATOM 1020 C GLN A 144 3.082 9.313 27.558 1.00 17.22 C +ATOM 1021 O GLN A 144 2.897 8.385 26.769 1.00 19.44 O +ATOM 1022 CB GLN A 144 5.311 10.504 27.365 1.00 15.58 C +ATOM 1023 CG GLN A 144 6.066 11.729 26.830 1.00 11.71 C +ATOM 1024 CD GLN A 144 7.567 11.665 27.059 1.00 14.26 C +ATOM 1025 OE1 GLN A 144 8.252 10.789 26.525 1.00 13.84 O +ATOM 1026 NE2 GLN A 144 8.087 12.598 27.859 1.00 11.95 N +ATOM 1027 N HIS A 145 2.658 9.272 28.817 1.00 17.07 N +ATOM 1028 CA HIS A 145 1.918 8.119 29.320 1.00 17.29 C +ATOM 1029 C HIS A 145 0.554 8.069 28.638 1.00 17.18 C +ATOM 1030 O HIS A 145 0.103 7.011 28.193 1.00 15.71 O +ATOM 1031 CB HIS A 145 1.692 8.233 30.821 1.00 16.64 C +ATOM 1032 CG HIS A 145 0.620 7.323 31.332 1.00 18.34 C +ATOM 1033 ND1 HIS A 145 0.772 5.955 31.394 1.00 19.98 N +ATOM 1034 CD2 HIS A 145 -0.627 7.584 31.792 1.00 19.82 C +ATOM 1035 CE1 HIS A 145 -0.332 5.411 31.875 1.00 21.72 C +ATOM 1036 NE2 HIS A 145 -1.197 6.378 32.125 1.00 22.89 N +ATOM 1037 N LEU A 146 -0.102 9.225 28.578 1.00 19.32 N +ATOM 1038 CA LEU A 146 -1.421 9.338 27.962 1.00 19.09 C +ATOM 1039 C LEU A 146 -1.372 8.879 26.507 1.00 19.58 C +ATOM 1040 O LEU A 146 -2.316 8.264 26.005 1.00 19.51 O +ATOM 1041 CB LEU A 146 -1.924 10.786 28.053 1.00 16.76 C +ATOM 1042 CG LEU A 146 -2.435 11.243 29.427 1.00 17.96 C +ATOM 1043 CD1 LEU A 146 -2.639 12.755 29.453 1.00 15.57 C +ATOM 1044 CD2 LEU A 146 -3.737 10.526 29.743 1.00 17.16 C +ATOM 1045 N LEU A 147 -0.260 9.171 25.839 1.00 18.75 N +ATOM 1046 CA LEU A 147 -0.075 8.776 24.446 1.00 17.02 C +ATOM 1047 C LEU A 147 0.203 7.282 24.346 1.00 17.38 C +ATOM 1048 O LEU A 147 -0.003 6.670 23.294 1.00 18.15 O +ATOM 1049 CB LEU A 147 1.094 9.545 23.831 1.00 16.38 C +ATOM 1050 CG LEU A 147 0.939 11.060 23.704 1.00 17.66 C +ATOM 1051 CD1 LEU A 147 2.238 11.671 23.196 1.00 19.01 C +ATOM 1052 CD2 LEU A 147 -0.212 11.371 22.756 1.00 17.90 C +ATOM 1053 N GLY A 148 0.672 6.695 25.444 1.00 16.87 N +ATOM 1054 CA GLY A 148 0.975 5.275 25.446 1.00 16.83 C +ATOM 1055 C GLY A 148 2.362 4.995 24.895 1.00 16.78 C +ATOM 1056 O GLY A 148 2.611 3.946 24.302 1.00 18.11 O +ATOM 1057 N SER A 149 3.268 5.946 25.091 1.00 16.99 N +ATOM 1058 CA SER A 149 4.643 5.818 24.616 1.00 17.06 C +ATOM 1059 C SER A 149 5.367 4.619 25.234 1.00 17.21 C +ATOM 1060 O SER A 149 5.190 4.319 26.420 1.00 16.64 O +ATOM 1061 CB SER A 149 5.413 7.103 24.935 1.00 18.20 C +ATOM 1062 OG SER A 149 6.805 6.927 24.757 1.00 23.78 O +ATOM 1063 N ASP A 150 6.183 3.946 24.424 1.00 15.19 N +ATOM 1064 CA ASP A 150 6.959 2.795 24.875 1.00 16.51 C +ATOM 1065 C ASP A 150 8.302 3.244 25.441 1.00 16.37 C +ATOM 1066 O ASP A 150 8.772 2.696 26.434 1.00 15.86 O +ATOM 1067 CB ASP A 150 7.192 1.821 23.725 1.00 15.53 C +ATOM 1068 CG ASP A 150 5.900 1.279 23.161 1.00 18.00 C +ATOM 1069 OD1 ASP A 150 5.438 1.784 22.117 1.00 16.24 O +ATOM 1070 OD2 ASP A 150 5.337 0.353 23.778 1.00 19.64 O +ATOM 1071 N ILE A 151 8.937 4.215 24.788 1.00 16.18 N +ATOM 1072 CA ILE A 151 10.208 4.745 25.284 1.00 16.21 C +ATOM 1073 C ILE A 151 9.959 6.216 25.589 1.00 16.67 C +ATOM 1074 O ILE A 151 9.752 7.029 24.679 1.00 11.41 O +ATOM 1075 CB ILE A 151 11.366 4.650 24.259 1.00 15.58 C +ATOM 1076 CG1 ILE A 151 11.702 3.189 23.939 1.00 18.06 C +ATOM 1077 CG2 ILE A 151 12.605 5.317 24.832 1.00 14.80 C +ATOM 1078 CD1 ILE A 151 10.670 2.505 23.070 1.00 23.45 C +ATOM 1079 N VAL A 152 9.969 6.543 26.877 1.00 16.64 N +ATOM 1080 CA VAL A 152 9.725 7.904 27.345 1.00 16.77 C +ATOM 1081 C VAL A 152 11.028 8.690 27.545 1.00 17.61 C +ATOM 1082 O VAL A 152 11.958 8.205 28.189 1.00 18.66 O +ATOM 1083 CB VAL A 152 8.947 7.867 28.685 1.00 17.79 C +ATOM 1084 CG1 VAL A 152 8.660 9.279 29.177 1.00 15.15 C +ATOM 1085 CG2 VAL A 152 7.656 7.076 28.505 1.00 16.21 C +ATOM 1086 N MET A 153 11.088 9.899 26.990 1.00 17.01 N +ATOM 1087 CA MET A 153 12.271 10.745 27.127 1.00 17.82 C +ATOM 1088 C MET A 153 12.092 11.676 28.325 1.00 19.24 C +ATOM 1089 O MET A 153 11.019 12.247 28.520 1.00 17.28 O +ATOM 1090 CB MET A 153 12.498 11.600 25.868 1.00 16.56 C +ATOM 1091 CG MET A 153 12.814 10.824 24.593 1.00 15.65 C +ATOM 1092 SD MET A 153 14.147 9.618 24.805 1.00 18.21 S +ATOM 1093 CE MET A 153 15.543 10.697 25.179 1.00 14.98 C +ATOM 1094 N ALA A 154 13.136 11.814 29.135 1.00 18.73 N +ATOM 1095 CA ALA A 154 13.066 12.702 30.282 1.00 19.47 C +ATOM 1096 C ALA A 154 12.914 14.118 29.735 1.00 19.45 C +ATOM 1097 O ALA A 154 13.412 14.428 28.654 1.00 18.85 O +ATOM 1098 CB ALA A 154 14.336 12.587 31.117 1.00 20.34 C +ATOM 1099 N PHE A 155 12.206 14.965 30.474 1.00 21.15 N +ATOM 1100 CA PHE A 155 11.982 16.349 30.067 1.00 22.08 C +ATOM 1101 C PHE A 155 13.223 17.171 30.422 1.00 25.04 C +ATOM 1102 O PHE A 155 13.659 17.198 31.578 1.00 24.11 O +ATOM 1103 CB PHE A 155 10.738 16.890 30.776 1.00 22.75 C +ATOM 1104 CG PHE A 155 10.422 18.318 30.454 1.00 23.59 C +ATOM 1105 CD1 PHE A 155 10.871 19.344 31.279 1.00 23.53 C +ATOM 1106 CD2 PHE A 155 9.669 18.640 29.335 1.00 22.41 C +ATOM 1107 CE1 PHE A 155 10.571 20.672 30.996 1.00 23.71 C +ATOM 1108 CE2 PHE A 155 9.364 19.968 29.044 1.00 24.92 C +ATOM 1109 CZ PHE A 155 9.818 20.987 29.881 1.00 22.50 C +ATOM 1110 N ASP A 156 13.794 17.834 29.424 1.00 24.65 N +ATOM 1111 CA ASP A 156 15.000 18.614 29.639 1.00 28.29 C +ATOM 1112 C ASP A 156 14.957 19.967 28.957 1.00 31.51 C +ATOM 1113 O ASP A 156 13.940 20.366 28.393 1.00 32.26 O +ATOM 1114 CB ASP A 156 16.212 17.830 29.129 1.00 27.15 C +ATOM 1115 CG ASP A 156 16.225 17.690 27.612 1.00 26.80 C +ATOM 1116 OD1 ASP A 156 15.147 17.775 26.988 1.00 25.82 O +ATOM 1117 OD2 ASP A 156 17.317 17.483 27.041 1.00 28.30 O +ATOM 1118 N GLU A 157 16.091 20.657 29.008 1.00 35.88 N +ATOM 1119 CA GLU A 157 16.253 21.976 28.408 1.00 39.54 C +ATOM 1120 C GLU A 157 17.442 21.903 27.445 1.00 42.71 C +ATOM 1121 O GLU A 157 18.591 21.823 27.880 1.00 44.01 O +ATOM 1122 CB GLU A 157 16.513 22.995 29.523 1.00 39.34 C +ATOM 1123 CG GLU A 157 16.905 24.389 29.079 1.00 40.11 C +ATOM 1124 CD GLU A 157 17.089 25.326 30.261 1.00 41.61 C +ATOM 1125 OE1 GLU A 157 16.075 25.734 30.868 1.00 40.88 O +ATOM 1126 OE2 GLU A 157 18.252 25.643 30.595 1.00 42.65 O +ATOM 1127 N CYS A 158 17.163 21.906 26.143 1.00 44.84 N +ATOM 1128 CA CYS A 158 18.219 21.828 25.130 1.00 47.70 C +ATOM 1129 C CYS A 158 19.046 23.114 25.104 1.00 48.15 C +ATOM 1130 O CYS A 158 18.541 24.186 24.766 1.00 49.32 O +ATOM 1131 CB CYS A 158 17.611 21.567 23.745 1.00 48.43 C +ATOM 1132 SG CYS A 158 18.818 21.304 22.408 1.00 53.13 S +ATOM 1133 N THR A 159 20.321 22.991 25.461 1.00 48.11 N +ATOM 1134 CA THR A 159 21.237 24.128 25.511 1.00 46.58 C +ATOM 1135 C THR A 159 21.602 24.683 24.132 1.00 46.26 C +ATOM 1136 O THR A 159 22.152 23.971 23.291 1.00 46.15 O +ATOM 1137 CB THR A 159 22.541 23.738 26.227 1.00 47.24 C +ATOM 1138 OG1 THR A 159 22.231 23.085 27.465 1.00 46.05 O +ATOM 1139 CG2 THR A 159 23.383 24.978 26.504 1.00 47.11 C +ATOM 1140 N PRO A 160 21.304 25.972 23.889 1.00 46.11 N +ATOM 1141 CA PRO A 160 21.587 26.661 22.621 1.00 45.44 C +ATOM 1142 C PRO A 160 23.072 26.706 22.246 1.00 44.07 C +ATOM 1143 O PRO A 160 23.937 26.797 23.114 1.00 44.27 O +ATOM 1144 CB PRO A 160 21.021 28.058 22.857 1.00 45.52 C +ATOM 1145 CG PRO A 160 19.881 27.798 23.789 1.00 46.95 C +ATOM 1146 CD PRO A 160 20.493 26.827 24.771 1.00 46.18 C +ATOM 1147 N TYR A 161 23.355 26.649 20.947 1.00 43.03 N +ATOM 1148 CA TYR A 161 24.729 26.688 20.451 1.00 42.05 C +ATOM 1149 C TYR A 161 24.952 27.962 19.641 1.00 41.82 C +ATOM 1150 O TYR A 161 24.155 28.294 18.763 1.00 41.84 O +ATOM 1151 CB TYR A 161 25.015 25.473 19.563 1.00 42.31 C +ATOM 1152 CG TYR A 161 26.433 25.411 19.032 1.00 40.83 C +ATOM 1153 CD1 TYR A 161 27.498 25.094 19.872 1.00 41.82 C +ATOM 1154 CD2 TYR A 161 26.712 25.682 17.692 1.00 41.42 C +ATOM 1155 CE1 TYR A 161 28.806 25.046 19.395 1.00 40.59 C +ATOM 1156 CE2 TYR A 161 28.021 25.638 17.202 1.00 40.11 C +ATOM 1157 CZ TYR A 161 29.062 25.318 18.061 1.00 40.29 C +ATOM 1158 OH TYR A 161 30.359 25.268 17.597 1.00 39.74 O +ATOM 1159 N PRO A 162 26.050 28.684 19.914 1.00 41.04 N +ATOM 1160 CA PRO A 162 27.068 28.371 20.923 1.00 40.49 C +ATOM 1161 C PRO A 162 26.601 28.677 22.345 1.00 39.27 C +ATOM 1162 O PRO A 162 25.633 29.407 22.542 1.00 40.03 O +ATOM 1163 CB PRO A 162 28.238 29.250 20.500 1.00 40.56 C +ATOM 1164 CG PRO A 162 27.541 30.476 20.004 1.00 40.89 C +ATOM 1165 CD PRO A 162 26.416 29.900 19.165 1.00 40.91 C +ATOM 1166 N ALA A 163 27.294 28.116 23.332 1.00 38.02 N +ATOM 1167 CA ALA A 163 26.948 28.336 24.733 1.00 36.30 C +ATOM 1168 C ALA A 163 28.191 28.502 25.599 1.00 34.84 C +ATOM 1169 O ALA A 163 29.148 27.736 25.488 1.00 33.94 O +ATOM 1170 CB ALA A 163 26.109 27.175 25.251 1.00 37.28 C +ATOM 1171 N THR A 164 28.172 29.511 26.461 1.00 33.31 N +ATOM 1172 CA THR A 164 29.295 29.761 27.349 1.00 32.53 C +ATOM 1173 C THR A 164 29.304 28.670 28.411 1.00 32.13 C +ATOM 1174 O THR A 164 28.262 28.091 28.728 1.00 31.83 O +ATOM 1175 CB THR A 164 29.168 31.129 28.048 1.00 32.96 C +ATOM 1176 OG1 THR A 164 28.043 31.110 28.933 1.00 32.26 O +ATOM 1177 CG2 THR A 164 28.974 32.237 27.021 1.00 33.42 C +ATOM 1178 N PRO A 165 30.481 28.376 28.979 1.00 31.83 N +ATOM 1179 CA PRO A 165 30.609 27.344 30.010 1.00 32.42 C +ATOM 1180 C PRO A 165 29.629 27.492 31.174 1.00 32.91 C +ATOM 1181 O PRO A 165 29.072 26.499 31.648 1.00 31.41 O +ATOM 1182 CB PRO A 165 32.064 27.483 30.451 1.00 32.37 C +ATOM 1183 CG PRO A 165 32.744 27.879 29.179 1.00 31.87 C +ATOM 1184 CD PRO A 165 31.801 28.934 28.635 1.00 31.73 C +ATOM 1185 N SER A 166 29.410 28.723 31.631 1.00 32.73 N +ATOM 1186 CA SER A 166 28.499 28.947 32.750 1.00 33.12 C +ATOM 1187 C SER A 166 27.046 28.679 32.364 1.00 32.02 C +ATOM 1188 O SER A 166 26.319 28.015 33.102 1.00 31.58 O +ATOM 1189 CB SER A 166 28.641 30.376 33.292 1.00 33.89 C +ATOM 1190 OG SER A 166 28.209 31.336 32.345 1.00 37.78 O +ATOM 1191 N ARG A 167 26.622 29.196 31.215 1.00 31.12 N +ATOM 1192 CA ARG A 167 25.252 28.983 30.763 1.00 31.97 C +ATOM 1193 C ARG A 167 25.000 27.496 30.513 1.00 31.55 C +ATOM 1194 O ARG A 167 23.950 26.962 30.883 1.00 30.80 O +ATOM 1195 CB ARG A 167 24.976 29.770 29.480 1.00 34.53 C +ATOM 1196 CG ARG A 167 25.127 31.270 29.630 1.00 40.44 C +ATOM 1197 CD ARG A 167 24.584 32.030 28.421 1.00 45.76 C +ATOM 1198 NE ARG A 167 23.142 32.277 28.502 1.00 50.09 N +ATOM 1199 CZ ARG A 167 22.197 31.360 28.311 1.00 52.39 C +ATOM 1200 NH1 ARG A 167 22.522 30.107 28.020 1.00 54.54 N +ATOM 1201 NH2 ARG A 167 20.918 31.699 28.412 1.00 52.94 N +ATOM 1202 N ALA A 168 25.969 26.835 29.886 1.00 29.45 N +ATOM 1203 CA ALA A 168 25.861 25.413 29.588 1.00 27.77 C +ATOM 1204 C ALA A 168 25.797 24.605 30.882 1.00 27.53 C +ATOM 1205 O ALA A 168 25.112 23.582 30.954 1.00 26.55 O +ATOM 1206 CB ALA A 168 27.052 24.963 28.747 1.00 27.49 C +ATOM 1207 N ALA A 169 26.517 25.067 31.900 1.00 27.05 N +ATOM 1208 CA ALA A 169 26.541 24.388 33.191 1.00 28.13 C +ATOM 1209 C ALA A 169 25.187 24.494 33.887 1.00 28.93 C +ATOM 1210 O ALA A 169 24.652 23.498 34.382 1.00 26.85 O +ATOM 1211 CB ALA A 169 27.631 24.985 34.077 1.00 27.75 C +ATOM 1212 N SER A 170 24.639 25.706 33.919 1.00 30.31 N +ATOM 1213 CA SER A 170 23.348 25.952 34.557 1.00 32.86 C +ATOM 1214 C SER A 170 22.228 25.134 33.914 1.00 32.04 C +ATOM 1215 O SER A 170 21.437 24.500 34.617 1.00 32.21 O +ATOM 1216 CB SER A 170 23.002 27.447 34.500 1.00 33.78 C +ATOM 1217 OG SER A 170 23.881 28.214 35.316 1.00 35.03 O +ATOM 1218 N SER A 171 22.163 25.151 32.585 1.00 31.13 N +ATOM 1219 CA SER A 171 21.142 24.400 31.854 1.00 31.94 C +ATOM 1220 C SER A 171 21.290 22.909 32.115 1.00 30.57 C +ATOM 1221 O SER A 171 20.312 22.213 32.394 1.00 31.28 O +ATOM 1222 CB SER A 171 21.266 24.648 30.351 1.00 33.02 C +ATOM 1223 OG SER A 171 21.150 26.025 30.062 1.00 36.86 O +ATOM 1224 N MET A 172 22.522 22.427 32.013 1.00 29.60 N +ATOM 1225 CA MET A 172 22.823 21.023 32.235 1.00 28.95 C +ATOM 1226 C MET A 172 22.415 20.618 33.644 1.00 28.73 C +ATOM 1227 O MET A 172 21.756 19.595 33.837 1.00 27.01 O +ATOM 1228 CB MET A 172 24.321 20.775 32.028 1.00 27.30 C +ATOM 1229 CG MET A 172 24.772 19.350 32.272 1.00 22.90 C +ATOM 1230 SD MET A 172 25.039 18.948 34.008 1.00 25.05 S +ATOM 1231 CE MET A 172 26.812 19.324 34.178 1.00 18.24 C +ATOM 1232 N GLU A 173 22.807 21.429 34.625 1.00 27.19 N +ATOM 1233 CA GLU A 173 22.481 21.157 36.020 1.00 27.49 C +ATOM 1234 C GLU A 173 20.969 21.116 36.213 1.00 26.68 C +ATOM 1235 O GLU A 173 20.454 20.291 36.971 1.00 26.75 O +ATOM 1236 CB GLU A 173 23.109 22.227 36.925 1.00 28.23 C +ATOM 1237 CG GLU A 173 24.627 22.283 36.811 1.00 31.20 C +ATOM 1238 CD GLU A 173 25.247 23.465 37.532 1.00 32.58 C +ATOM 1239 OE1 GLU A 173 24.671 24.572 37.476 1.00 33.98 O +ATOM 1240 OE2 GLU A 173 26.326 23.290 38.138 1.00 33.99 O +ATOM 1241 N ARG A 174 20.261 22.002 35.519 1.00 24.90 N +ATOM 1242 CA ARG A 174 18.810 22.050 35.615 1.00 25.83 C +ATOM 1243 C ARG A 174 18.198 20.820 34.951 1.00 25.28 C +ATOM 1244 O ARG A 174 17.267 20.217 35.484 1.00 24.03 O +ATOM 1245 CB ARG A 174 18.266 23.322 34.958 1.00 25.77 C +ATOM 1246 CG ARG A 174 16.775 23.261 34.658 1.00 27.93 C +ATOM 1247 CD ARG A 174 16.217 24.612 34.284 1.00 31.62 C +ATOM 1248 NE ARG A 174 16.051 25.471 35.453 1.00 34.92 N +ATOM 1249 CZ ARG A 174 15.678 26.744 35.393 1.00 37.66 C +ATOM 1250 NH1 ARG A 174 15.433 27.308 34.218 1.00 37.95 N +ATOM 1251 NH2 ARG A 174 15.546 27.454 36.507 1.00 38.54 N +ATOM 1252 N SER A 175 18.724 20.448 33.789 1.00 25.51 N +ATOM 1253 CA SER A 175 18.207 19.284 33.090 1.00 24.78 C +ATOM 1254 C SER A 175 18.403 18.074 33.978 1.00 25.49 C +ATOM 1255 O SER A 175 17.544 17.195 34.039 1.00 25.74 O +ATOM 1256 CB SER A 175 18.924 19.084 31.753 1.00 23.29 C +ATOM 1257 OG SER A 175 18.480 20.037 30.800 1.00 21.85 O +ATOM 1258 N MET A 176 19.532 18.030 34.678 1.00 24.07 N +ATOM 1259 CA MET A 176 19.793 16.911 35.566 1.00 24.01 C +ATOM 1260 C MET A 176 18.765 16.901 36.695 1.00 22.88 C +ATOM 1261 O MET A 176 18.333 15.835 37.130 1.00 24.54 O +ATOM 1262 CB MET A 176 21.220 16.979 36.122 1.00 23.07 C +ATOM 1263 CG MET A 176 22.297 16.826 35.045 1.00 23.54 C +ATOM 1264 SD MET A 176 22.021 15.404 33.919 1.00 24.93 S +ATOM 1265 CE MET A 176 21.091 16.224 32.593 1.00 20.99 C +ATOM 1266 N ARG A 177 18.367 18.081 37.162 1.00 21.16 N +ATOM 1267 CA ARG A 177 17.364 18.159 38.221 1.00 22.40 C +ATOM 1268 C ARG A 177 16.034 17.692 37.632 1.00 21.65 C +ATOM 1269 O ARG A 177 15.279 16.959 38.269 1.00 21.31 O +ATOM 1270 CB ARG A 177 17.222 19.593 38.748 1.00 21.72 C +ATOM 1271 CG ARG A 177 18.435 20.112 39.518 1.00 23.81 C +ATOM 1272 CD ARG A 177 18.076 21.350 40.349 1.00 23.85 C +ATOM 1273 NE ARG A 177 17.858 22.544 39.538 1.00 18.05 N +ATOM 1274 CZ ARG A 177 18.832 23.304 39.047 1.00 21.83 C +ATOM 1275 NH1 ARG A 177 20.101 22.998 39.287 1.00 24.34 N +ATOM 1276 NH2 ARG A 177 18.539 24.367 38.314 1.00 19.63 N +ATOM 1277 N TRP A 178 15.757 18.123 36.407 1.00 21.46 N +ATOM 1278 CA TRP A 178 14.532 17.729 35.725 1.00 22.53 C +ATOM 1279 C TRP A 178 14.530 16.228 35.428 1.00 22.35 C +ATOM 1280 O TRP A 178 13.473 15.592 35.426 1.00 22.88 O +ATOM 1281 CB TRP A 178 14.369 18.540 34.436 1.00 21.37 C +ATOM 1282 CG TRP A 178 13.834 19.919 34.685 1.00 21.99 C +ATOM 1283 CD1 TRP A 178 13.480 20.452 35.891 1.00 23.34 C +ATOM 1284 CD2 TRP A 178 13.587 20.940 33.711 1.00 23.02 C +ATOM 1285 NE1 TRP A 178 13.030 21.738 35.730 1.00 23.83 N +ATOM 1286 CE2 TRP A 178 13.085 22.065 34.402 1.00 22.45 C +ATOM 1287 CE3 TRP A 178 13.742 21.015 32.322 1.00 23.23 C +ATOM 1288 CZ2 TRP A 178 12.739 23.253 33.753 1.00 22.36 C +ATOM 1289 CZ3 TRP A 178 13.397 22.201 31.674 1.00 23.41 C +ATOM 1290 CH2 TRP A 178 12.901 23.303 32.393 1.00 22.85 C +ATOM 1291 N ALA A 179 15.714 15.666 35.198 1.00 20.24 N +ATOM 1292 CA ALA A 179 15.848 14.237 34.924 1.00 22.39 C +ATOM 1293 C ALA A 179 15.382 13.436 36.136 1.00 22.29 C +ATOM 1294 O ALA A 179 14.666 12.440 36.000 1.00 22.19 O +ATOM 1295 CB ALA A 179 17.301 13.894 34.595 1.00 21.78 C +ATOM 1296 N LYS A 180 15.796 13.872 37.323 1.00 22.12 N +ATOM 1297 CA LYS A 180 15.393 13.209 38.559 1.00 20.72 C +ATOM 1298 C LYS A 180 13.866 13.274 38.690 1.00 20.34 C +ATOM 1299 O LYS A 180 13.218 12.283 39.027 1.00 21.22 O +ATOM 1300 CB LYS A 180 16.055 13.890 39.767 1.00 23.48 C +ATOM 1301 CG LYS A 180 15.582 13.374 41.120 1.00 25.07 C +ATOM 1302 CD LYS A 180 15.711 11.861 41.212 1.00 28.34 C +ATOM 1303 CE LYS A 180 15.177 11.331 42.538 1.00 31.26 C +ATOM 1304 NZ LYS A 180 15.067 9.840 42.531 1.00 31.37 N +ATOM 1305 N ARG A 181 13.294 14.444 38.422 1.00 19.00 N +ATOM 1306 CA ARG A 181 11.843 14.612 38.503 1.00 20.04 C +ATOM 1307 C ARG A 181 11.132 13.708 37.484 1.00 18.47 C +ATOM 1308 O ARG A 181 10.120 13.088 37.799 1.00 17.20 O +ATOM 1309 CB ARG A 181 11.473 16.084 38.283 1.00 20.90 C +ATOM 1310 CG ARG A 181 11.839 16.972 39.481 1.00 24.03 C +ATOM 1311 CD ARG A 181 11.770 18.458 39.158 1.00 21.70 C +ATOM 1312 NE ARG A 181 10.434 18.898 38.768 1.00 22.31 N +ATOM 1313 CZ ARG A 181 10.144 20.141 38.395 1.00 21.87 C +ATOM 1314 NH1 ARG A 181 11.099 21.061 38.360 1.00 22.48 N +ATOM 1315 NH2 ARG A 181 8.901 20.472 38.065 1.00 20.17 N +ATOM 1316 N SER A 182 11.676 13.618 36.273 1.00 18.05 N +ATOM 1317 CA SER A 182 11.088 12.762 35.243 1.00 16.71 C +ATOM 1318 C SER A 182 11.110 11.324 35.747 1.00 17.78 C +ATOM 1319 O SER A 182 10.108 10.603 35.671 1.00 18.05 O +ATOM 1320 CB SER A 182 11.891 12.857 33.943 1.00 16.05 C +ATOM 1321 OG SER A 182 11.830 14.156 33.390 1.00 14.61 O +ATOM 1322 N ARG A 183 12.263 10.913 36.270 1.00 18.70 N +ATOM 1323 CA ARG A 183 12.426 9.566 36.797 1.00 20.37 C +ATOM 1324 C ARG A 183 11.389 9.242 37.870 1.00 21.59 C +ATOM 1325 O ARG A 183 10.744 8.193 37.814 1.00 22.42 O +ATOM 1326 CB ARG A 183 13.839 9.386 37.365 1.00 21.55 C +ATOM 1327 CG ARG A 183 13.998 8.170 38.273 1.00 23.75 C +ATOM 1328 CD ARG A 183 13.446 6.893 37.639 1.00 27.96 C +ATOM 1329 NE ARG A 183 14.330 6.325 36.634 1.00 26.67 N +ATOM 1330 CZ ARG A 183 14.043 5.247 35.908 1.00 27.91 C +ATOM 1331 NH1 ARG A 183 12.885 4.613 36.068 1.00 27.97 N +ATOM 1332 NH2 ARG A 183 14.926 4.790 35.033 1.00 26.14 N +ATOM 1333 N ASP A 184 11.226 10.139 38.841 1.00 21.19 N +ATOM 1334 CA ASP A 184 10.261 9.920 39.917 1.00 21.70 C +ATOM 1335 C ASP A 184 8.825 9.944 39.406 1.00 20.97 C +ATOM 1336 O ASP A 184 7.988 9.164 39.858 1.00 19.49 O +ATOM 1337 CB ASP A 184 10.409 10.976 41.019 1.00 22.67 C +ATOM 1338 CG ASP A 184 11.743 10.893 41.741 1.00 23.15 C +ATOM 1339 OD1 ASP A 184 12.279 9.777 41.903 1.00 25.39 O +ATOM 1340 OD2 ASP A 184 12.245 11.953 42.162 1.00 26.43 O +ATOM 1341 N ALA A 185 8.537 10.841 38.467 1.00 20.96 N +ATOM 1342 CA ALA A 185 7.187 10.932 37.923 1.00 20.61 C +ATOM 1343 C ALA A 185 6.865 9.623 37.211 1.00 20.58 C +ATOM 1344 O ALA A 185 5.797 9.045 37.397 1.00 20.25 O +ATOM 1345 CB ALA A 185 7.087 12.104 36.956 1.00 18.84 C +ATOM 1346 N PHE A 186 7.808 9.158 36.401 1.00 21.54 N +ATOM 1347 CA PHE A 186 7.651 7.912 35.653 1.00 20.15 C +ATOM 1348 C PHE A 186 7.434 6.719 36.597 1.00 20.77 C +ATOM 1349 O PHE A 186 6.525 5.912 36.392 1.00 20.22 O +ATOM 1350 CB PHE A 186 8.894 7.714 34.774 1.00 18.97 C +ATOM 1351 CG PHE A 186 8.897 6.444 33.962 1.00 18.46 C +ATOM 1352 CD1 PHE A 186 9.304 5.239 34.527 1.00 15.93 C +ATOM 1353 CD2 PHE A 186 8.541 6.467 32.614 1.00 18.97 C +ATOM 1354 CE1 PHE A 186 9.362 4.074 33.758 1.00 16.33 C +ATOM 1355 CE2 PHE A 186 8.594 5.309 31.838 1.00 18.85 C +ATOM 1356 CZ PHE A 186 9.008 4.109 32.414 1.00 17.38 C +ATOM 1357 N ASP A 187 8.250 6.625 37.644 1.00 21.39 N +ATOM 1358 CA ASP A 187 8.143 5.521 38.601 1.00 22.36 C +ATOM 1359 C ASP A 187 6.882 5.506 39.459 1.00 23.29 C +ATOM 1360 O ASP A 187 6.456 4.445 39.909 1.00 22.94 O +ATOM 1361 CB ASP A 187 9.352 5.495 39.540 1.00 21.79 C +ATOM 1362 CG ASP A 187 10.642 5.220 38.819 1.00 22.40 C +ATOM 1363 OD1 ASP A 187 10.610 4.562 37.759 1.00 22.32 O +ATOM 1364 OD2 ASP A 187 11.691 5.650 39.328 1.00 23.55 O +ATOM 1365 N SER A 188 6.300 6.672 39.710 1.00 25.51 N +ATOM 1366 CA SER A 188 5.089 6.741 40.525 1.00 28.56 C +ATOM 1367 C SER A 188 3.862 6.217 39.788 1.00 28.82 C +ATOM 1368 O SER A 188 2.887 5.797 40.410 1.00 30.77 O +ATOM 1369 CB SER A 188 4.839 8.177 40.976 1.00 28.54 C +ATOM 1370 OG SER A 188 5.883 8.614 41.825 1.00 32.67 O +ATOM 1371 N ARG A 189 3.920 6.243 38.462 1.00 28.22 N +ATOM 1372 CA ARG A 189 2.824 5.780 37.624 1.00 26.96 C +ATOM 1373 C ARG A 189 3.080 4.305 37.323 1.00 27.18 C +ATOM 1374 O ARG A 189 3.802 3.972 36.378 1.00 25.35 O +ATOM 1375 CB ARG A 189 2.796 6.598 36.331 1.00 27.87 C +ATOM 1376 CG ARG A 189 1.474 6.569 35.582 1.00 29.62 C +ATOM 1377 CD ARG A 189 1.572 7.417 34.328 1.00 31.57 C +ATOM 1378 NE ARG A 189 1.965 8.796 34.624 1.00 34.32 N +ATOM 1379 CZ ARG A 189 1.144 9.715 35.117 1.00 33.49 C +ATOM 1380 NH1 ARG A 189 -0.119 9.405 35.367 1.00 38.75 N +ATOM 1381 NH2 ARG A 189 1.585 10.939 35.369 1.00 32.39 N +ATOM 1382 N LYS A 190 2.478 3.435 38.132 1.00 27.33 N +ATOM 1383 CA LYS A 190 2.653 1.988 38.026 1.00 28.88 C +ATOM 1384 C LYS A 190 2.571 1.368 36.641 1.00 28.47 C +ATOM 1385 O LYS A 190 3.471 0.636 36.234 1.00 25.06 O +ATOM 1386 CB LYS A 190 1.662 1.264 38.944 1.00 32.81 C +ATOM 1387 CG LYS A 190 1.871 1.534 40.429 1.00 37.54 C +ATOM 1388 CD LYS A 190 1.066 0.558 41.288 1.00 42.39 C +ATOM 1389 CE LYS A 190 -0.435 0.645 41.009 1.00 44.68 C +ATOM 1390 NZ LYS A 190 -1.022 1.949 41.436 1.00 45.41 N +ATOM 1391 N GLU A 191 1.483 1.640 35.928 1.00 28.65 N +ATOM 1392 CA GLU A 191 1.293 1.081 34.598 1.00 28.49 C +ATOM 1393 C GLU A 191 2.399 1.505 33.643 1.00 25.94 C +ATOM 1394 O GLU A 191 2.841 0.728 32.802 1.00 26.27 O +ATOM 1395 CB GLU A 191 -0.056 1.520 34.031 1.00 32.26 C +ATOM 1396 CG GLU A 191 -0.337 0.966 32.643 1.00 39.10 C +ATOM 1397 CD GLU A 191 -1.621 1.508 32.051 1.00 43.65 C +ATOM 1398 OE1 GLU A 191 -1.941 1.151 30.896 1.00 47.80 O +ATOM 1399 OE2 GLU A 191 -2.310 2.292 32.740 1.00 46.66 O +ATOM 1400 N GLN A 192 2.838 2.748 33.776 1.00 23.79 N +ATOM 1401 CA GLN A 192 3.884 3.269 32.913 1.00 22.28 C +ATOM 1402 C GLN A 192 5.236 2.658 33.265 1.00 21.24 C +ATOM 1403 O GLN A 192 5.935 2.136 32.397 1.00 20.27 O +ATOM 1404 CB GLN A 192 3.934 4.795 33.026 1.00 19.02 C +ATOM 1405 CG GLN A 192 5.031 5.452 32.217 1.00 18.63 C +ATOM 1406 CD GLN A 192 4.867 6.955 32.139 1.00 19.60 C +ATOM 1407 OE1 GLN A 192 4.640 7.623 33.154 1.00 20.11 O +ATOM 1408 NE2 GLN A 192 4.983 7.499 30.933 1.00 17.49 N +ATOM 1409 N ALA A 193 5.593 2.710 34.544 1.00 20.20 N +ATOM 1410 CA ALA A 193 6.862 2.161 35.005 1.00 18.92 C +ATOM 1411 C ALA A 193 7.028 0.690 34.641 1.00 20.17 C +ATOM 1412 O ALA A 193 8.146 0.227 34.394 1.00 22.03 O +ATOM 1413 CB ALA A 193 6.986 2.333 36.522 1.00 17.63 C +ATOM 1414 N GLU A 194 5.916 -0.039 34.592 1.00 19.94 N +ATOM 1415 CA GLU A 194 5.949 -1.471 34.299 1.00 20.57 C +ATOM 1416 C GLU A 194 5.880 -1.891 32.831 1.00 18.40 C +ATOM 1417 O GLU A 194 6.243 -3.018 32.494 1.00 16.88 O +ATOM 1418 CB GLU A 194 4.832 -2.172 35.081 1.00 23.39 C +ATOM 1419 CG GLU A 194 4.952 -1.983 36.590 1.00 28.18 C +ATOM 1420 CD GLU A 194 3.790 -2.581 37.365 1.00 31.77 C +ATOM 1421 OE1 GLU A 194 3.652 -2.257 38.568 1.00 32.29 O +ATOM 1422 OE2 GLU A 194 3.023 -3.377 36.775 1.00 33.30 O +ATOM 1423 N ASN A 195 5.435 -0.997 31.953 1.00 17.99 N +ATOM 1424 CA ASN A 195 5.316 -1.347 30.539 1.00 19.22 C +ATOM 1425 C ASN A 195 6.140 -0.507 29.579 1.00 19.53 C +ATOM 1426 O ASN A 195 6.324 -0.886 28.421 1.00 21.03 O +ATOM 1427 CB ASN A 195 3.852 -1.287 30.117 1.00 20.10 C +ATOM 1428 CG ASN A 195 3.016 -2.327 30.812 1.00 21.02 C +ATOM 1429 OD1 ASN A 195 3.207 -3.523 30.603 1.00 22.55 O +ATOM 1430 ND2 ASN A 195 2.091 -1.881 31.656 1.00 22.15 N +ATOM 1431 N ALA A 196 6.625 0.633 30.053 1.00 18.07 N +ATOM 1432 CA ALA A 196 7.420 1.522 29.219 1.00 18.59 C +ATOM 1433 C ALA A 196 8.828 1.690 29.782 1.00 18.58 C +ATOM 1434 O ALA A 196 9.108 1.280 30.910 1.00 17.94 O +ATOM 1435 CB ALA A 196 6.731 2.875 29.112 1.00 16.98 C +ATOM 1436 N ALA A 197 9.707 2.289 28.985 1.00 17.77 N +ATOM 1437 CA ALA A 197 11.088 2.533 29.389 1.00 17.66 C +ATOM 1438 C ALA A 197 11.308 4.043 29.462 1.00 18.91 C +ATOM 1439 O ALA A 197 10.563 4.814 28.861 1.00 17.57 O +ATOM 1440 CB ALA A 197 12.055 1.901 28.385 1.00 17.79 C +ATOM 1441 N LEU A 198 12.332 4.463 30.196 1.00 18.77 N +ATOM 1442 CA LEU A 198 12.615 5.884 30.355 1.00 17.83 C +ATOM 1443 C LEU A 198 14.065 6.146 29.972 1.00 17.15 C +ATOM 1444 O LEU A 198 14.954 5.462 30.457 1.00 17.85 O +ATOM 1445 CB LEU A 198 12.399 6.285 31.819 1.00 17.88 C +ATOM 1446 CG LEU A 198 11.871 7.664 32.232 1.00 21.69 C +ATOM 1447 CD1 LEU A 198 12.507 8.034 33.579 1.00 17.43 C +ATOM 1448 CD2 LEU A 198 12.177 8.718 31.195 1.00 19.31 C +ATOM 1449 N PHE A 199 14.295 7.135 29.110 1.00 16.95 N +ATOM 1450 CA PHE A 199 15.650 7.502 28.676 1.00 16.43 C +ATOM 1451 C PHE A 199 16.052 8.858 29.268 1.00 16.91 C +ATOM 1452 O PHE A 199 15.267 9.809 29.256 1.00 18.79 O +ATOM 1453 CB PHE A 199 15.716 7.601 27.140 1.00 14.29 C +ATOM 1454 CG PHE A 199 15.945 6.284 26.437 1.00 13.80 C +ATOM 1455 CD1 PHE A 199 15.509 5.086 26.989 1.00 12.32 C +ATOM 1456 CD2 PHE A 199 16.581 6.254 25.199 1.00 14.90 C +ATOM 1457 CE1 PHE A 199 15.702 3.874 26.317 1.00 14.67 C +ATOM 1458 CE2 PHE A 199 16.778 5.047 24.520 1.00 14.45 C +ATOM 1459 CZ PHE A 199 16.336 3.857 25.084 1.00 11.40 C +ATOM 1460 N GLY A 200 17.272 8.944 29.790 1.00 18.94 N +ATOM 1461 CA GLY A 200 17.754 10.199 30.338 1.00 16.28 C +ATOM 1462 C GLY A 200 18.520 10.868 29.215 1.00 18.77 C +ATOM 1463 O GLY A 200 18.974 10.180 28.300 1.00 17.90 O +ATOM 1464 N ILE A 201 18.672 12.189 29.259 1.00 18.93 N +ATOM 1465 CA ILE A 201 19.397 12.884 28.198 1.00 19.02 C +ATOM 1466 C ILE A 201 20.594 13.670 28.712 1.00 21.30 C +ATOM 1467 O ILE A 201 20.457 14.541 29.570 1.00 21.14 O +ATOM 1468 CB ILE A 201 18.502 13.881 27.448 1.00 19.97 C +ATOM 1469 CG1 ILE A 201 17.202 13.204 27.007 1.00 20.67 C +ATOM 1470 CG2 ILE A 201 19.259 14.430 26.238 1.00 18.74 C +ATOM 1471 CD1 ILE A 201 16.171 14.176 26.436 1.00 21.14 C +ATOM 1472 N GLN A 202 21.766 13.368 28.167 1.00 21.52 N +ATOM 1473 CA GLN A 202 22.991 14.052 28.552 1.00 22.71 C +ATOM 1474 C GLN A 202 23.088 15.417 27.878 1.00 24.18 C +ATOM 1475 O GLN A 202 22.808 15.560 26.684 1.00 22.24 O +ATOM 1476 CB GLN A 202 24.213 13.215 28.156 1.00 21.84 C +ATOM 1477 CG GLN A 202 25.553 13.793 28.610 1.00 21.36 C +ATOM 1478 CD GLN A 202 26.728 13.213 27.835 1.00 23.78 C +ATOM 1479 OE1 GLN A 202 27.828 13.057 28.372 1.00 23.89 O +ATOM 1480 NE2 GLN A 202 26.504 12.911 26.559 1.00 19.89 N +ATOM 1481 N GLN A 203 23.479 16.422 28.657 1.00 25.69 N +ATOM 1482 CA GLN A 203 23.661 17.774 28.139 1.00 25.55 C +ATOM 1483 C GLN A 203 25.094 18.187 28.458 1.00 25.93 C +ATOM 1484 O GLN A 203 25.929 17.340 28.772 1.00 26.15 O +ATOM 1485 CB GLN A 203 22.670 18.747 28.787 1.00 24.37 C +ATOM 1486 CG GLN A 203 21.219 18.556 28.356 1.00 24.23 C +ATOM 1487 CD GLN A 203 21.030 18.675 26.854 1.00 26.31 C +ATOM 1488 OE1 GLN A 203 21.644 19.520 26.207 1.00 27.38 O +ATOM 1489 NE2 GLN A 203 20.164 17.835 26.295 1.00 25.72 N +ATOM 1490 N GLY A 204 25.380 19.482 28.377 1.00 27.17 N +ATOM 1491 CA GLY A 204 26.721 19.953 28.669 1.00 25.99 C +ATOM 1492 C GLY A 204 27.378 20.611 27.473 1.00 27.52 C +ATOM 1493 O GLY A 204 28.577 20.886 27.492 1.00 28.25 O +ATOM 1494 N SER A 205 26.593 20.862 26.430 1.00 27.09 N +ATOM 1495 CA SER A 205 27.099 21.489 25.215 1.00 28.58 C +ATOM 1496 C SER A 205 28.316 20.739 24.649 1.00 29.18 C +ATOM 1497 O SER A 205 28.297 19.513 24.528 1.00 29.27 O +ATOM 1498 CB SER A 205 27.461 22.952 25.496 1.00 29.44 C +ATOM 1499 OG SER A 205 27.731 23.653 24.294 1.00 29.11 O +ATOM 1500 N VAL A 206 29.372 21.474 24.315 1.00 29.23 N +ATOM 1501 CA VAL A 206 30.578 20.877 23.749 1.00 28.64 C +ATOM 1502 C VAL A 206 31.687 20.725 24.782 1.00 29.91 C +ATOM 1503 O VAL A 206 32.828 20.416 24.436 1.00 30.05 O +ATOM 1504 CB VAL A 206 31.126 21.740 22.596 1.00 28.61 C +ATOM 1505 CG1 VAL A 206 30.026 22.013 21.585 1.00 28.94 C +ATOM 1506 CG2 VAL A 206 31.681 23.052 23.141 1.00 28.93 C +ATOM 1507 N PHE A 207 31.351 20.926 26.050 1.00 28.75 N +ATOM 1508 CA PHE A 207 32.336 20.846 27.119 1.00 28.02 C +ATOM 1509 C PHE A 207 32.420 19.476 27.768 1.00 29.53 C +ATOM 1510 O PHE A 207 31.429 18.943 28.267 1.00 26.47 O +ATOM 1511 CB PHE A 207 32.020 21.925 28.150 1.00 29.42 C +ATOM 1512 CG PHE A 207 31.802 23.270 27.534 1.00 29.00 C +ATOM 1513 CD1 PHE A 207 32.863 23.957 26.948 1.00 30.37 C +ATOM 1514 CD2 PHE A 207 30.528 23.816 27.461 1.00 28.70 C +ATOM 1515 CE1 PHE A 207 32.655 25.168 26.293 1.00 30.08 C +ATOM 1516 CE2 PHE A 207 30.310 25.027 26.809 1.00 28.69 C +ATOM 1517 CZ PHE A 207 31.375 25.702 26.223 1.00 30.28 C +ATOM 1518 N GLU A 208 33.625 18.920 27.759 1.00 28.69 N +ATOM 1519 CA GLU A 208 33.879 17.602 28.310 1.00 30.50 C +ATOM 1520 C GLU A 208 33.514 17.451 29.787 1.00 31.37 C +ATOM 1521 O GLU A 208 32.800 16.519 30.161 1.00 31.86 O +ATOM 1522 CB GLU A 208 35.353 17.233 28.100 1.00 29.34 C +ATOM 1523 CG GLU A 208 35.663 15.764 28.335 1.00 31.34 C +ATOM 1524 CD GLU A 208 37.082 15.395 27.948 1.00 32.40 C +ATOM 1525 OE1 GLU A 208 37.724 16.174 27.216 1.00 32.41 O +ATOM 1526 OE2 GLU A 208 37.551 14.317 28.365 1.00 32.84 O +ATOM 1527 N ASN A 209 33.998 18.360 30.628 1.00 31.46 N +ATOM 1528 CA ASN A 209 33.715 18.270 32.056 1.00 31.20 C +ATOM 1529 C ASN A 209 32.220 18.360 32.351 1.00 30.30 C +ATOM 1530 O ASN A 209 31.720 17.707 33.268 1.00 30.68 O +ATOM 1531 CB ASN A 209 34.488 19.352 32.824 1.00 31.84 C +ATOM 1532 CG ASN A 209 34.010 20.751 32.510 1.00 31.54 C +ATOM 1533 OD1 ASN A 209 33.810 21.108 31.350 1.00 34.31 O +ATOM 1534 ND2 ASN A 209 33.837 21.560 33.547 1.00 35.62 N +ATOM 1535 N LEU A 210 31.503 19.163 31.576 1.00 28.79 N +ATOM 1536 CA LEU A 210 30.065 19.295 31.767 1.00 29.57 C +ATOM 1537 C LEU A 210 29.373 18.003 31.342 1.00 30.88 C +ATOM 1538 O LEU A 210 28.450 17.533 32.011 1.00 31.05 O +ATOM 1539 CB LEU A 210 29.531 20.472 30.953 1.00 29.36 C +ATOM 1540 CG LEU A 210 29.173 21.739 31.735 1.00 29.45 C +ATOM 1541 CD1 LEU A 210 30.136 21.951 32.899 1.00 30.88 C +ATOM 1542 CD2 LEU A 210 29.196 22.918 30.791 1.00 28.21 C +ATOM 1543 N ARG A 211 29.837 17.429 30.233 1.00 30.23 N +ATOM 1544 CA ARG A 211 29.281 16.185 29.714 1.00 27.55 C +ATOM 1545 C ARG A 211 29.499 15.056 30.706 1.00 27.60 C +ATOM 1546 O ARG A 211 28.640 14.187 30.871 1.00 26.43 O +ATOM 1547 CB ARG A 211 29.937 15.828 28.377 1.00 25.34 C +ATOM 1548 CG ARG A 211 29.465 16.669 27.195 1.00 23.60 C +ATOM 1549 CD ARG A 211 28.108 16.193 26.670 1.00 22.18 C +ATOM 1550 NE ARG A 211 27.560 17.110 25.670 1.00 21.97 N +ATOM 1551 CZ ARG A 211 26.351 17.001 25.128 1.00 21.49 C +ATOM 1552 NH1 ARG A 211 25.550 16.005 25.481 1.00 25.63 N +ATOM 1553 NH2 ARG A 211 25.935 17.899 24.246 1.00 20.69 N +ATOM 1554 N GLN A 212 30.654 15.073 31.368 1.00 27.30 N +ATOM 1555 CA GLN A 212 30.988 14.040 32.340 1.00 27.73 C +ATOM 1556 C GLN A 212 30.106 14.156 33.575 1.00 28.28 C +ATOM 1557 O GLN A 212 29.663 13.151 34.136 1.00 27.51 O +ATOM 1558 CB GLN A 212 32.460 14.145 32.748 1.00 27.77 C +ATOM 1559 CG GLN A 212 32.888 13.092 33.755 1.00 27.78 C +ATOM 1560 CD GLN A 212 32.807 11.680 33.205 1.00 27.86 C +ATOM 1561 OE1 GLN A 212 33.575 11.298 32.326 1.00 28.39 O +ATOM 1562 NE2 GLN A 212 31.869 10.898 33.723 1.00 31.09 N +ATOM 1563 N GLN A 213 29.866 15.388 34.009 1.00 28.84 N +ATOM 1564 CA GLN A 213 29.025 15.611 35.173 1.00 30.25 C +ATOM 1565 C GLN A 213 27.616 15.121 34.853 1.00 28.75 C +ATOM 1566 O GLN A 213 27.007 14.390 35.638 1.00 28.77 O +ATOM 1567 CB GLN A 213 29.000 17.093 35.524 1.00 32.87 C +ATOM 1568 CG GLN A 213 30.308 17.606 36.102 1.00 38.21 C +ATOM 1569 CD GLN A 213 30.334 19.114 36.206 1.00 40.53 C +ATOM 1570 OE1 GLN A 213 29.403 19.727 36.727 1.00 43.26 O +ATOM 1571 NE2 GLN A 213 31.405 19.722 35.710 1.00 43.92 N +ATOM 1572 N SER A 214 27.113 15.520 33.689 1.00 27.14 N +ATOM 1573 CA SER A 214 25.780 15.128 33.248 1.00 27.90 C +ATOM 1574 C SER A 214 25.658 13.607 33.202 1.00 27.13 C +ATOM 1575 O SER A 214 24.672 13.036 33.676 1.00 26.55 O +ATOM 1576 CB SER A 214 25.488 15.711 31.864 1.00 26.48 C +ATOM 1577 OG SER A 214 24.170 15.389 31.449 1.00 28.94 O +ATOM 1578 N ALA A 215 26.669 12.957 32.637 1.00 25.69 N +ATOM 1579 CA ALA A 215 26.681 11.505 32.530 1.00 26.23 C +ATOM 1580 C ALA A 215 26.649 10.834 33.904 1.00 27.46 C +ATOM 1581 O ALA A 215 25.904 9.875 34.116 1.00 27.39 O +ATOM 1582 CB ALA A 215 27.917 11.047 31.753 1.00 24.02 C +ATOM 1583 N ASP A 216 27.459 11.332 34.835 1.00 27.52 N +ATOM 1584 CA ASP A 216 27.499 10.751 36.173 1.00 28.50 C +ATOM 1585 C ASP A 216 26.146 10.901 36.861 1.00 27.50 C +ATOM 1586 O ASP A 216 25.655 9.964 37.493 1.00 28.06 O +ATOM 1587 CB ASP A 216 28.579 11.419 37.037 1.00 30.58 C +ATOM 1588 CG ASP A 216 29.978 11.249 36.472 1.00 34.55 C +ATOM 1589 OD1 ASP A 216 30.313 10.142 35.994 1.00 35.15 O +ATOM 1590 OD2 ASP A 216 30.754 12.225 36.523 1.00 36.80 O +ATOM 1591 N ALA A 217 25.555 12.085 36.737 1.00 26.15 N +ATOM 1592 CA ALA A 217 24.259 12.366 37.351 1.00 26.92 C +ATOM 1593 C ALA A 217 23.180 11.471 36.761 1.00 26.54 C +ATOM 1594 O ALA A 217 22.339 10.934 37.486 1.00 26.45 O +ATOM 1595 CB ALA A 217 23.891 13.832 37.148 1.00 24.29 C +ATOM 1596 N LEU A 218 23.211 11.313 35.441 1.00 26.90 N +ATOM 1597 CA LEU A 218 22.241 10.476 34.744 1.00 25.94 C +ATOM 1598 C LEU A 218 22.408 9.018 35.148 1.00 25.76 C +ATOM 1599 O LEU A 218 21.424 8.324 35.406 1.00 25.54 O +ATOM 1600 CB LEU A 218 22.408 10.632 33.230 1.00 24.27 C +ATOM 1601 CG LEU A 218 21.351 11.441 32.474 1.00 24.73 C +ATOM 1602 CD1 LEU A 218 20.693 12.464 33.375 1.00 22.72 C +ATOM 1603 CD2 LEU A 218 21.997 12.095 31.270 1.00 23.94 C +ATOM 1604 N ALA A 219 23.655 8.554 35.201 1.00 24.99 N +ATOM 1605 CA ALA A 219 23.937 7.177 35.598 1.00 24.35 C +ATOM 1606 C ALA A 219 23.559 7.024 37.064 1.00 25.01 C +ATOM 1607 O ALA A 219 23.128 5.958 37.507 1.00 23.63 O +ATOM 1608 CB ALA A 219 25.419 6.865 35.406 1.00 25.54 C +ATOM 1609 N GLU A 220 23.729 8.107 37.814 1.00 26.18 N +ATOM 1610 CA GLU A 220 23.398 8.115 39.230 1.00 29.25 C +ATOM 1611 C GLU A 220 21.900 7.883 39.383 1.00 26.70 C +ATOM 1612 O GLU A 220 21.466 7.101 40.226 1.00 26.49 O +ATOM 1613 CB GLU A 220 23.800 9.457 39.852 1.00 31.97 C +ATOM 1614 CG GLU A 220 23.502 9.578 41.336 1.00 38.32 C +ATOM 1615 CD GLU A 220 23.820 8.310 42.098 1.00 41.09 C +ATOM 1616 OE1 GLU A 220 24.934 7.764 41.921 1.00 42.74 O +ATOM 1617 OE2 GLU A 220 22.951 7.859 42.876 1.00 44.07 O +ATOM 1618 N ILE A 221 21.112 8.569 38.562 1.00 26.22 N +ATOM 1619 CA ILE A 221 19.662 8.407 38.602 1.00 24.65 C +ATOM 1620 C ILE A 221 19.341 6.996 38.124 1.00 23.95 C +ATOM 1621 O ILE A 221 18.573 6.270 38.754 1.00 24.36 O +ATOM 1622 CB ILE A 221 18.944 9.391 37.656 1.00 25.18 C +ATOM 1623 CG1 ILE A 221 19.334 10.837 37.993 1.00 23.89 C +ATOM 1624 CG2 ILE A 221 17.431 9.172 37.738 1.00 22.93 C +ATOM 1625 CD1 ILE A 221 18.875 11.304 39.331 1.00 28.40 C +ATOM 1626 N GLY A 222 19.944 6.611 37.002 1.00 21.46 N +ATOM 1627 CA GLY A 222 19.700 5.291 36.454 1.00 21.01 C +ATOM 1628 C GLY A 222 18.562 5.351 35.455 1.00 20.39 C +ATOM 1629 O GLY A 222 17.443 5.726 35.803 1.00 20.03 O +ATOM 1630 N PHE A 223 18.855 4.983 34.212 1.00 20.80 N +ATOM 1631 CA PHE A 223 17.872 4.993 33.135 1.00 20.38 C +ATOM 1632 C PHE A 223 17.985 3.746 32.269 1.00 19.86 C +ATOM 1633 O PHE A 223 18.975 3.021 32.336 1.00 20.95 O +ATOM 1634 CB PHE A 223 18.073 6.235 32.261 1.00 18.13 C +ATOM 1635 CG PHE A 223 17.641 7.506 32.915 1.00 16.32 C +ATOM 1636 CD1 PHE A 223 16.302 7.891 32.895 1.00 16.58 C +ATOM 1637 CD2 PHE A 223 18.566 8.313 33.570 1.00 15.56 C +ATOM 1638 CE1 PHE A 223 15.889 9.065 33.519 1.00 15.90 C +ATOM 1639 CE2 PHE A 223 18.167 9.484 34.195 1.00 16.34 C +ATOM 1640 CZ PHE A 223 16.823 9.863 34.170 1.00 16.36 C +ATOM 1641 N ASP A 224 16.963 3.509 31.453 1.00 17.33 N +ATOM 1642 CA ASP A 224 16.936 2.357 30.562 1.00 18.04 C +ATOM 1643 C ASP A 224 17.804 2.597 29.327 1.00 16.06 C +ATOM 1644 O ASP A 224 18.239 1.655 28.668 1.00 17.26 O +ATOM 1645 CB ASP A 224 15.497 2.075 30.132 1.00 17.76 C +ATOM 1646 CG ASP A 224 14.618 1.672 31.294 1.00 18.21 C +ATOM 1647 OD1 ASP A 224 15.015 0.759 32.044 1.00 19.80 O +ATOM 1648 OD2 ASP A 224 13.531 2.256 31.457 1.00 18.99 O +ATOM 1649 N GLY A 225 18.031 3.870 29.022 1.00 16.30 N +ATOM 1650 CA GLY A 225 18.838 4.252 27.877 1.00 15.76 C +ATOM 1651 C GLY A 225 19.318 5.674 28.090 1.00 14.90 C +ATOM 1652 O GLY A 225 18.756 6.395 28.912 1.00 12.93 O +ATOM 1653 N TYR A 226 20.353 6.080 27.364 1.00 15.34 N +ATOM 1654 CA TYR A 226 20.892 7.426 27.501 1.00 15.72 C +ATOM 1655 C TYR A 226 21.046 8.100 26.154 1.00 15.63 C +ATOM 1656 O TYR A 226 21.630 7.547 25.218 1.00 16.76 O +ATOM 1657 CB TYR A 226 22.250 7.393 28.218 1.00 17.60 C +ATOM 1658 CG TYR A 226 22.186 6.733 29.578 1.00 18.16 C +ATOM 1659 CD1 TYR A 226 22.122 5.346 29.695 1.00 16.40 C +ATOM 1660 CD2 TYR A 226 22.110 7.498 30.746 1.00 18.28 C +ATOM 1661 CE1 TYR A 226 21.974 4.727 30.945 1.00 18.70 C +ATOM 1662 CE2 TYR A 226 21.960 6.891 32.001 1.00 18.23 C +ATOM 1663 CZ TYR A 226 21.888 5.506 32.088 1.00 18.48 C +ATOM 1664 OH TYR A 226 21.692 4.901 33.310 1.00 20.29 O +ATOM 1665 N ALA A 227 20.511 9.304 26.052 1.00 15.43 N +ATOM 1666 CA ALA A 227 20.609 10.046 24.816 1.00 15.49 C +ATOM 1667 C ALA A 227 21.664 11.122 24.935 1.00 18.33 C +ATOM 1668 O ALA A 227 21.938 11.637 26.022 1.00 16.35 O +ATOM 1669 CB ALA A 227 19.272 10.678 24.480 1.00 15.72 C +ATOM 1670 N VAL A 228 22.275 11.445 23.806 1.00 19.53 N +ATOM 1671 CA VAL A 228 23.255 12.504 23.771 1.00 20.97 C +ATOM 1672 C VAL A 228 22.446 13.659 23.195 1.00 22.48 C +ATOM 1673 O VAL A 228 22.101 13.666 22.009 1.00 20.92 O +ATOM 1674 CB VAL A 228 24.433 12.165 22.842 1.00 21.61 C +ATOM 1675 CG1 VAL A 228 25.418 13.319 22.813 1.00 20.31 C +ATOM 1676 CG2 VAL A 228 25.127 10.895 23.325 1.00 22.95 C +ATOM 1677 N GLY A 229 22.104 14.616 24.047 1.00 20.71 N +ATOM 1678 CA GLY A 229 21.329 15.744 23.578 1.00 21.05 C +ATOM 1679 C GLY A 229 22.195 16.945 23.269 1.00 21.43 C +ATOM 1680 O GLY A 229 23.409 16.930 23.493 1.00 20.95 O +ATOM 1681 N GLY A 230 21.559 17.976 22.727 1.00 22.55 N +ATOM 1682 CA GLY A 230 22.248 19.211 22.405 1.00 25.54 C +ATOM 1683 C GLY A 230 23.241 19.201 21.259 1.00 26.91 C +ATOM 1684 O GLY A 230 24.011 20.151 21.125 1.00 25.91 O +ATOM 1685 N LEU A 231 23.238 18.160 20.429 1.00 27.99 N +ATOM 1686 CA LEU A 231 24.180 18.116 19.314 1.00 29.41 C +ATOM 1687 C LEU A 231 23.545 18.339 17.951 1.00 30.13 C +ATOM 1688 O LEU A 231 24.234 18.355 16.937 1.00 31.02 O +ATOM 1689 CB LEU A 231 24.965 16.803 19.320 1.00 27.66 C +ATOM 1690 CG LEU A 231 25.973 16.687 20.468 1.00 29.07 C +ATOM 1691 CD1 LEU A 231 26.834 15.448 20.273 1.00 26.71 C +ATOM 1692 CD2 LEU A 231 26.846 17.930 20.515 1.00 27.36 C +ATOM 1693 N ALA A 232 22.231 18.500 17.917 1.00 31.18 N +ATOM 1694 CA ALA A 232 21.561 18.765 16.652 1.00 34.39 C +ATOM 1695 C ALA A 232 21.284 20.261 16.678 1.00 36.88 C +ATOM 1696 O ALA A 232 20.131 20.694 16.609 1.00 38.71 O +ATOM 1697 CB ALA A 232 20.262 17.982 16.564 1.00 35.16 C +ATOM 1698 N VAL A 233 22.353 21.047 16.782 1.00 37.93 N +ATOM 1699 CA VAL A 233 22.234 22.500 16.868 1.00 38.70 C +ATOM 1700 C VAL A 233 23.031 23.310 15.845 1.00 39.68 C +ATOM 1701 O VAL A 233 23.089 24.532 15.944 1.00 40.32 O +ATOM 1702 CB VAL A 233 22.637 22.985 18.274 1.00 37.44 C +ATOM 1703 CG1 VAL A 233 21.642 22.483 19.305 1.00 37.13 C +ATOM 1704 CG2 VAL A 233 24.031 22.482 18.610 1.00 37.93 C +ATOM 1705 N GLY A 234 23.643 22.638 14.876 1.00 40.65 N +ATOM 1706 CA GLY A 234 24.408 23.342 13.861 1.00 41.69 C +ATOM 1707 C GLY A 234 25.828 23.684 14.276 1.00 42.42 C +ATOM 1708 O GLY A 234 26.290 24.812 14.086 1.00 43.81 O +ATOM 1709 N GLU A 235 26.529 22.709 14.840 1.00 41.71 N +ATOM 1710 CA GLU A 235 27.901 22.918 15.276 1.00 40.97 C +ATOM 1711 C GLU A 235 28.869 22.396 14.221 1.00 41.16 C +ATOM 1712 O GLU A 235 30.071 22.673 14.274 1.00 42.20 O +ATOM 1713 CB GLU A 235 28.158 22.184 16.593 1.00 40.59 C +ATOM 1714 CG GLU A 235 28.084 20.670 16.468 1.00 39.12 C +ATOM 1715 CD GLU A 235 26.680 20.122 16.656 1.00 38.41 C +ATOM 1716 OE1 GLU A 235 25.702 20.815 16.301 1.00 37.32 O +ATOM 1717 OE2 GLU A 235 26.561 18.983 17.150 1.00 36.06 O +ATOM 1718 N GLY A 236 28.335 21.641 13.264 1.00 39.35 N +ATOM 1719 CA GLY A 236 29.166 21.069 12.220 1.00 36.31 C +ATOM 1720 C GLY A 236 29.503 19.633 12.576 1.00 33.66 C +ATOM 1721 O GLY A 236 29.664 19.304 13.752 1.00 33.23 O +ATOM 1722 N GLN A 237 29.615 18.774 11.569 1.00 32.31 N +ATOM 1723 CA GLN A 237 29.925 17.371 11.814 1.00 30.85 C +ATOM 1724 C GLN A 237 31.227 17.167 12.566 1.00 30.60 C +ATOM 1725 O GLN A 237 31.305 16.327 13.463 1.00 29.93 O +ATOM 1726 CB GLN A 237 29.977 16.591 10.501 1.00 30.53 C +ATOM 1727 CG GLN A 237 30.479 15.172 10.689 1.00 30.41 C +ATOM 1728 CD GLN A 237 30.571 14.405 9.392 1.00 29.00 C +ATOM 1729 OE1 GLN A 237 29.556 14.037 8.802 1.00 29.40 O +ATOM 1730 NE2 GLN A 237 31.792 14.166 8.935 1.00 27.66 N +ATOM 1731 N ASP A 238 32.253 17.929 12.202 1.00 31.01 N +ATOM 1732 CA ASP A 238 33.544 17.801 12.861 1.00 31.82 C +ATOM 1733 C ASP A 238 33.410 18.034 14.358 1.00 30.92 C +ATOM 1734 O ASP A 238 33.903 17.247 15.167 1.00 29.36 O +ATOM 1735 CB ASP A 238 34.552 18.791 12.270 1.00 34.94 C +ATOM 1736 CG ASP A 238 34.811 18.547 10.797 1.00 39.42 C +ATOM 1737 OD1 ASP A 238 34.942 17.368 10.401 1.00 39.66 O +ATOM 1738 OD2 ASP A 238 34.896 19.533 10.036 1.00 42.93 O +ATOM 1739 N GLU A 239 32.737 19.121 14.720 1.00 31.67 N +ATOM 1740 CA GLU A 239 32.534 19.466 16.123 1.00 31.29 C +ATOM 1741 C GLU A 239 31.679 18.402 16.811 1.00 29.09 C +ATOM 1742 O GLU A 239 31.993 17.949 17.915 1.00 27.73 O +ATOM 1743 CB GLU A 239 31.855 20.836 16.224 1.00 34.49 C +ATOM 1744 CG GLU A 239 31.680 21.364 17.642 1.00 37.34 C +ATOM 1745 CD GLU A 239 32.998 21.630 18.337 1.00 40.95 C +ATOM 1746 OE1 GLU A 239 32.966 22.111 19.491 1.00 43.48 O +ATOM 1747 OE2 GLU A 239 34.064 21.363 17.739 1.00 40.94 O +ATOM 1748 N MET A 240 30.596 18.004 16.152 1.00 26.82 N +ATOM 1749 CA MET A 240 29.708 16.988 16.711 1.00 26.65 C +ATOM 1750 C MET A 240 30.497 15.713 16.986 1.00 25.95 C +ATOM 1751 O MET A 240 30.423 15.146 18.079 1.00 25.37 O +ATOM 1752 CB MET A 240 28.559 16.684 15.743 1.00 26.36 C +ATOM 1753 CG MET A 240 27.587 15.629 16.262 1.00 27.82 C +ATOM 1754 SD MET A 240 26.316 15.195 15.067 1.00 30.72 S +ATOM 1755 CE MET A 240 27.171 13.988 14.082 1.00 24.83 C +ATOM 1756 N PHE A 241 31.258 15.268 15.990 1.00 25.49 N +ATOM 1757 CA PHE A 241 32.066 14.066 16.134 1.00 25.12 C +ATOM 1758 C PHE A 241 33.033 14.219 17.295 1.00 24.99 C +ATOM 1759 O PHE A 241 33.212 13.295 18.089 1.00 25.44 O +ATOM 1760 CB PHE A 241 32.838 13.787 14.840 1.00 23.82 C +ATOM 1761 CG PHE A 241 32.013 13.130 13.763 1.00 22.90 C +ATOM 1762 CD1 PHE A 241 30.658 12.883 13.953 1.00 22.46 C +ATOM 1763 CD2 PHE A 241 32.599 12.751 12.559 1.00 20.57 C +ATOM 1764 CE1 PHE A 241 29.901 12.267 12.963 1.00 23.55 C +ATOM 1765 CE2 PHE A 241 31.852 12.138 11.563 1.00 22.80 C +ATOM 1766 CZ PHE A 241 30.498 11.893 11.765 1.00 21.49 C +ATOM 1767 N ARG A 242 33.652 15.392 17.397 1.00 25.97 N +ATOM 1768 CA ARG A 242 34.601 15.662 18.477 1.00 26.64 C +ATOM 1769 C ARG A 242 33.925 15.441 19.829 1.00 25.19 C +ATOM 1770 O ARG A 242 34.458 14.742 20.686 1.00 25.70 O +ATOM 1771 CB ARG A 242 35.120 17.104 18.389 1.00 29.30 C +ATOM 1772 CG ARG A 242 36.261 17.421 19.354 1.00 32.86 C +ATOM 1773 CD ARG A 242 36.782 18.849 19.168 1.00 36.58 C +ATOM 1774 NE ARG A 242 35.843 19.869 19.640 1.00 39.40 N +ATOM 1775 CZ ARG A 242 35.621 20.148 20.923 1.00 38.94 C +ATOM 1776 NH1 ARG A 242 36.271 19.484 21.868 1.00 40.69 N +ATOM 1777 NH2 ARG A 242 34.753 21.094 21.264 1.00 39.91 N +ATOM 1778 N VAL A 243 32.741 16.023 20.010 1.00 24.31 N +ATOM 1779 CA VAL A 243 32.010 15.876 21.267 1.00 24.02 C +ATOM 1780 C VAL A 243 31.611 14.423 21.515 1.00 23.63 C +ATOM 1781 O VAL A 243 31.716 13.924 22.639 1.00 23.98 O +ATOM 1782 CB VAL A 243 30.749 16.770 21.282 1.00 24.25 C +ATOM 1783 CG1 VAL A 243 29.993 16.596 22.597 1.00 24.54 C +ATOM 1784 CG2 VAL A 243 31.158 18.225 21.099 1.00 24.07 C +ATOM 1785 N LEU A 244 31.157 13.740 20.468 1.00 23.74 N +ATOM 1786 CA LEU A 244 30.766 12.341 20.602 1.00 22.57 C +ATOM 1787 C LEU A 244 31.959 11.490 21.028 1.00 21.92 C +ATOM 1788 O LEU A 244 31.815 10.563 21.819 1.00 23.17 O +ATOM 1789 CB LEU A 244 30.203 11.807 19.280 1.00 21.10 C +ATOM 1790 CG LEU A 244 28.787 12.227 18.865 1.00 20.79 C +ATOM 1791 CD1 LEU A 244 28.438 11.554 17.540 1.00 19.97 C +ATOM 1792 CD2 LEU A 244 27.781 11.817 19.939 1.00 19.03 C +ATOM 1793 N ASP A 245 33.141 11.812 20.508 1.00 22.99 N +ATOM 1794 CA ASP A 245 34.338 11.052 20.847 1.00 23.23 C +ATOM 1795 C ASP A 245 34.518 10.874 22.350 1.00 23.44 C +ATOM 1796 O ASP A 245 34.751 9.761 22.812 1.00 20.88 O +ATOM 1797 CB ASP A 245 35.589 11.704 20.249 1.00 23.73 C +ATOM 1798 CG ASP A 245 35.644 11.576 18.741 1.00 24.99 C +ATOM 1799 OD1 ASP A 245 35.274 10.497 18.228 1.00 24.90 O +ATOM 1800 OD2 ASP A 245 36.063 12.543 18.070 1.00 25.39 O +ATOM 1801 N PHE A 246 34.399 11.960 23.114 1.00 24.26 N +ATOM 1802 CA PHE A 246 34.568 11.866 24.561 1.00 24.21 C +ATOM 1803 C PHE A 246 33.265 11.751 25.346 1.00 23.80 C +ATOM 1804 O PHE A 246 33.276 11.375 26.514 1.00 26.23 O +ATOM 1805 CB PHE A 246 35.389 13.058 25.090 1.00 23.82 C +ATOM 1806 CG PHE A 246 34.741 14.405 24.876 1.00 23.32 C +ATOM 1807 CD1 PHE A 246 33.532 14.723 25.486 1.00 23.56 C +ATOM 1808 CD2 PHE A 246 35.355 15.363 24.079 1.00 22.41 C +ATOM 1809 CE1 PHE A 246 32.949 15.970 25.305 1.00 23.03 C +ATOM 1810 CE2 PHE A 246 34.780 16.617 23.890 1.00 21.89 C +ATOM 1811 CZ PHE A 246 33.576 16.921 24.504 1.00 22.61 C +ATOM 1812 N SER A 247 32.140 12.058 24.713 1.00 24.44 N +ATOM 1813 CA SER A 247 30.858 11.993 25.412 1.00 23.34 C +ATOM 1814 C SER A 247 30.235 10.607 25.521 1.00 22.56 C +ATOM 1815 O SER A 247 29.802 10.206 26.601 1.00 21.17 O +ATOM 1816 CB SER A 247 29.853 12.942 24.760 1.00 22.62 C +ATOM 1817 OG SER A 247 30.241 14.290 24.942 1.00 25.49 O +ATOM 1818 N VAL A 248 30.193 9.870 24.414 1.00 21.82 N +ATOM 1819 CA VAL A 248 29.575 8.548 24.429 1.00 19.75 C +ATOM 1820 C VAL A 248 30.215 7.575 25.415 1.00 21.13 C +ATOM 1821 O VAL A 248 29.515 6.797 26.075 1.00 21.48 O +ATOM 1822 CB VAL A 248 29.561 7.923 23.012 1.00 20.76 C +ATOM 1823 CG1 VAL A 248 28.774 6.623 23.032 1.00 19.48 C +ATOM 1824 CG2 VAL A 248 28.933 8.905 22.017 1.00 17.87 C +ATOM 1825 N PRO A 249 31.554 7.588 25.527 1.00 20.66 N +ATOM 1826 CA PRO A 249 32.205 6.673 26.467 1.00 21.07 C +ATOM 1827 C PRO A 249 31.790 6.936 27.920 1.00 20.09 C +ATOM 1828 O PRO A 249 31.908 6.064 28.775 1.00 19.05 O +ATOM 1829 CB PRO A 249 33.691 6.944 26.237 1.00 21.69 C +ATOM 1830 CG PRO A 249 33.740 7.322 24.789 1.00 22.63 C +ATOM 1831 CD PRO A 249 32.551 8.246 24.663 1.00 20.44 C +ATOM 1832 N MET A 250 31.298 8.137 28.193 1.00 21.94 N +ATOM 1833 CA MET A 250 30.878 8.493 29.547 1.00 23.15 C +ATOM 1834 C MET A 250 29.591 7.781 29.963 1.00 24.11 C +ATOM 1835 O MET A 250 29.367 7.519 31.147 1.00 22.72 O +ATOM 1836 CB MET A 250 30.662 10.001 29.644 1.00 24.74 C +ATOM 1837 CG MET A 250 31.874 10.830 29.290 1.00 26.09 C +ATOM 1838 SD MET A 250 31.509 12.591 29.363 1.00 30.53 S +ATOM 1839 CE MET A 250 33.139 13.283 29.021 1.00 27.59 C +ATOM 1840 N LEU A 251 28.750 7.469 28.981 1.00 22.87 N +ATOM 1841 CA LEU A 251 27.477 6.811 29.242 1.00 22.41 C +ATOM 1842 C LEU A 251 27.654 5.333 29.544 1.00 20.63 C +ATOM 1843 O LEU A 251 28.612 4.709 29.098 1.00 21.88 O +ATOM 1844 CB LEU A 251 26.555 6.968 28.030 1.00 22.62 C +ATOM 1845 CG LEU A 251 26.399 8.382 27.474 1.00 22.67 C +ATOM 1846 CD1 LEU A 251 25.655 8.329 26.145 1.00 25.49 C +ATOM 1847 CD2 LEU A 251 25.663 9.245 28.474 1.00 24.14 C +ATOM 1848 N PRO A 252 26.727 4.751 30.316 1.00 21.37 N +ATOM 1849 CA PRO A 252 26.820 3.328 30.648 1.00 21.15 C +ATOM 1850 C PRO A 252 26.874 2.502 29.365 1.00 22.85 C +ATOM 1851 O PRO A 252 26.070 2.699 28.458 1.00 20.81 O +ATOM 1852 CB PRO A 252 25.554 3.088 31.451 1.00 20.88 C +ATOM 1853 CG PRO A 252 25.408 4.390 32.194 1.00 21.65 C +ATOM 1854 CD PRO A 252 25.679 5.413 31.114 1.00 19.71 C +ATOM 1855 N ASP A 253 27.826 1.580 29.299 1.00 22.22 N +ATOM 1856 CA ASP A 253 28.009 0.749 28.116 1.00 23.84 C +ATOM 1857 C ASP A 253 26.908 -0.284 27.841 1.00 24.33 C +ATOM 1858 O ASP A 253 26.622 -0.586 26.680 1.00 24.77 O +ATOM 1859 CB ASP A 253 29.375 0.059 28.195 1.00 21.86 C +ATOM 1860 CG ASP A 253 29.717 -0.705 26.934 1.00 23.85 C +ATOM 1861 OD1 ASP A 253 29.415 -1.912 26.872 1.00 24.98 O +ATOM 1862 OD2 ASP A 253 30.278 -0.096 25.998 1.00 25.39 O +ATOM 1863 N ASP A 254 26.285 -0.812 28.895 1.00 23.28 N +ATOM 1864 CA ASP A 254 25.242 -1.826 28.734 1.00 23.21 C +ATOM 1865 C ASP A 254 23.834 -1.289 28.434 1.00 22.09 C +ATOM 1866 O ASP A 254 22.852 -2.026 28.544 1.00 20.50 O +ATOM 1867 CB ASP A 254 25.171 -2.722 29.980 1.00 23.34 C +ATOM 1868 CG ASP A 254 24.747 -1.960 31.225 1.00 24.24 C +ATOM 1869 OD1 ASP A 254 24.434 -2.607 32.249 1.00 24.50 O +ATOM 1870 OD2 ASP A 254 24.734 -0.713 31.181 1.00 20.91 O +ATOM 1871 N LYS A 255 23.733 -0.015 28.068 1.00 19.92 N +ATOM 1872 CA LYS A 255 22.438 0.582 27.746 1.00 19.29 C +ATOM 1873 C LYS A 255 22.521 1.304 26.403 1.00 18.05 C +ATOM 1874 O LYS A 255 23.599 1.742 25.985 1.00 18.95 O +ATOM 1875 CB LYS A 255 22.019 1.587 28.826 1.00 21.41 C +ATOM 1876 CG LYS A 255 22.023 1.053 30.260 1.00 22.74 C +ATOM 1877 CD LYS A 255 20.990 -0.036 30.466 1.00 22.81 C +ATOM 1878 CE LYS A 255 20.945 -0.483 31.923 1.00 24.01 C +ATOM 1879 NZ LYS A 255 19.971 -1.592 32.119 1.00 27.38 N +ATOM 1880 N PRO A 256 21.382 1.441 25.707 1.00 16.07 N +ATOM 1881 CA PRO A 256 21.364 2.122 24.411 1.00 15.53 C +ATOM 1882 C PRO A 256 21.861 3.567 24.495 1.00 16.56 C +ATOM 1883 O PRO A 256 21.688 4.238 25.518 1.00 16.20 O +ATOM 1884 CB PRO A 256 19.888 2.053 24.011 1.00 14.30 C +ATOM 1885 CG PRO A 256 19.421 0.788 24.655 1.00 13.87 C +ATOM 1886 CD PRO A 256 20.056 0.877 26.017 1.00 13.25 C +ATOM 1887 N HIS A 257 22.476 4.026 23.407 1.00 16.12 N +ATOM 1888 CA HIS A 257 22.982 5.390 23.283 1.00 15.55 C +ATOM 1889 C HIS A 257 22.224 5.988 22.108 1.00 15.25 C +ATOM 1890 O HIS A 257 22.371 5.548 20.966 1.00 14.77 O +ATOM 1891 CB HIS A 257 24.481 5.398 22.982 1.00 16.11 C +ATOM 1892 CG HIS A 257 25.295 4.611 23.960 1.00 18.18 C +ATOM 1893 ND1 HIS A 257 24.921 4.447 25.277 1.00 20.29 N +ATOM 1894 CD2 HIS A 257 26.476 3.966 23.822 1.00 17.00 C +ATOM 1895 CE1 HIS A 257 25.838 3.735 25.906 1.00 18.54 C +ATOM 1896 NE2 HIS A 257 26.792 3.431 25.046 1.00 18.87 N +ATOM 1897 N TYR A 258 21.420 6.998 22.395 1.00 14.69 N +ATOM 1898 CA TYR A 258 20.584 7.629 21.388 1.00 14.83 C +ATOM 1899 C TYR A 258 20.989 9.061 21.037 1.00 14.40 C +ATOM 1900 O TYR A 258 20.922 9.963 21.874 1.00 13.73 O +ATOM 1901 CB TYR A 258 19.128 7.539 21.892 1.00 15.23 C +ATOM 1902 CG TYR A 258 18.075 8.400 21.216 1.00 15.08 C +ATOM 1903 CD1 TYR A 258 18.170 8.752 19.872 1.00 14.18 C +ATOM 1904 CD2 TYR A 258 16.952 8.829 21.933 1.00 14.05 C +ATOM 1905 CE1 TYR A 258 17.169 9.517 19.253 1.00 15.88 C +ATOM 1906 CE2 TYR A 258 15.949 9.587 21.331 1.00 14.87 C +ATOM 1907 CZ TYR A 258 16.064 9.927 19.994 1.00 14.76 C +ATOM 1908 OH TYR A 258 15.085 10.686 19.406 1.00 14.06 O +ATOM 1909 N LEU A 259 21.426 9.261 19.794 1.00 14.60 N +ATOM 1910 CA LEU A 259 21.816 10.595 19.331 1.00 15.08 C +ATOM 1911 C LEU A 259 20.584 11.274 18.733 1.00 17.67 C +ATOM 1912 O LEU A 259 20.144 10.944 17.627 1.00 17.85 O +ATOM 1913 CB LEU A 259 22.924 10.502 18.286 1.00 15.53 C +ATOM 1914 CG LEU A 259 23.421 11.852 17.758 1.00 15.63 C +ATOM 1915 CD1 LEU A 259 23.829 12.746 18.929 1.00 14.48 C +ATOM 1916 CD2 LEU A 259 24.589 11.631 16.796 1.00 15.58 C +ATOM 1917 N MET A 260 20.030 12.223 19.477 1.00 17.81 N +ATOM 1918 CA MET A 260 18.821 12.918 19.060 1.00 20.33 C +ATOM 1919 C MET A 260 18.976 13.909 17.906 1.00 20.09 C +ATOM 1920 O MET A 260 19.919 14.697 17.866 1.00 20.48 O +ATOM 1921 CB MET A 260 18.197 13.633 20.271 1.00 22.09 C +ATOM 1922 CG MET A 260 17.815 12.703 21.429 1.00 24.68 C +ATOM 1923 SD MET A 260 17.047 13.539 22.857 1.00 24.54 S +ATOM 1924 CE MET A 260 15.337 13.337 22.490 1.00 21.65 C +ATOM 1925 N GLY A 261 18.037 13.843 16.967 1.00 19.26 N +ATOM 1926 CA GLY A 261 18.027 14.760 15.840 1.00 22.93 C +ATOM 1927 C GLY A 261 19.146 14.671 14.822 1.00 24.09 C +ATOM 1928 O GLY A 261 19.352 15.607 14.055 1.00 25.37 O +ATOM 1929 N VAL A 262 19.874 13.562 14.804 1.00 23.94 N +ATOM 1930 CA VAL A 262 20.949 13.404 13.840 1.00 23.88 C +ATOM 1931 C VAL A 262 20.532 12.369 12.815 1.00 24.97 C +ATOM 1932 O VAL A 262 20.238 11.220 13.159 1.00 23.71 O +ATOM 1933 CB VAL A 262 22.237 12.968 14.513 1.00 24.12 C +ATOM 1934 CG1 VAL A 262 23.291 12.691 13.460 1.00 23.55 C +ATOM 1935 CG2 VAL A 262 22.697 14.057 15.461 1.00 23.67 C +ATOM 1936 N GLY A 263 20.511 12.781 11.551 1.00 25.41 N +ATOM 1937 CA GLY A 263 20.073 11.874 10.516 1.00 25.64 C +ATOM 1938 C GLY A 263 20.803 11.804 9.195 1.00 24.43 C +ATOM 1939 O GLY A 263 20.529 10.881 8.443 1.00 26.99 O +ATOM 1940 N LYS A 264 21.699 12.735 8.873 1.00 23.03 N +ATOM 1941 CA LYS A 264 22.400 12.622 7.590 1.00 22.90 C +ATOM 1942 C LYS A 264 23.124 11.272 7.586 1.00 21.81 C +ATOM 1943 O LYS A 264 23.704 10.879 8.595 1.00 19.27 O +ATOM 1944 CB LYS A 264 23.409 13.759 7.403 1.00 27.95 C +ATOM 1945 CG LYS A 264 22.798 15.092 6.953 1.00 30.23 C +ATOM 1946 CD LYS A 264 23.889 16.124 6.643 1.00 35.03 C +ATOM 1947 CE LYS A 264 24.686 16.492 7.893 1.00 37.54 C +ATOM 1948 NZ LYS A 264 25.956 17.216 7.588 1.00 39.07 N +ATOM 1949 N PRO A 265 23.097 10.545 6.453 1.00 21.08 N +ATOM 1950 CA PRO A 265 23.761 9.240 6.374 1.00 20.97 C +ATOM 1951 C PRO A 265 25.191 9.205 6.899 1.00 21.38 C +ATOM 1952 O PRO A 265 25.530 8.338 7.710 1.00 19.43 O +ATOM 1953 CB PRO A 265 23.665 8.894 4.890 1.00 21.08 C +ATOM 1954 CG PRO A 265 22.343 9.483 4.515 1.00 20.84 C +ATOM 1955 CD PRO A 265 22.418 10.857 5.182 1.00 21.37 C +ATOM 1956 N ASP A 266 26.026 10.143 6.455 1.00 22.22 N +ATOM 1957 CA ASP A 266 27.414 10.174 6.909 1.00 22.44 C +ATOM 1958 C ASP A 266 27.495 10.439 8.403 1.00 20.90 C +ATOM 1959 O ASP A 266 28.424 9.987 9.062 1.00 20.20 O +ATOM 1960 CB ASP A 266 28.229 11.247 6.180 1.00 27.25 C +ATOM 1961 CG ASP A 266 29.693 11.259 6.616 1.00 32.02 C +ATOM 1962 OD1 ASP A 266 30.355 12.315 6.485 1.00 34.12 O +ATOM 1963 OD2 ASP A 266 30.188 10.205 7.085 1.00 34.82 O +ATOM 1964 N ASP A 267 26.536 11.192 8.935 1.00 20.62 N +ATOM 1965 CA ASP A 267 26.529 11.478 10.366 1.00 20.89 C +ATOM 1966 C ASP A 267 26.234 10.182 11.125 1.00 19.07 C +ATOM 1967 O ASP A 267 26.890 9.865 12.123 1.00 16.04 O +ATOM 1968 CB ASP A 267 25.462 12.528 10.700 1.00 23.58 C +ATOM 1969 CG ASP A 267 25.869 13.934 10.285 1.00 27.68 C +ATOM 1970 OD1 ASP A 267 25.005 14.831 10.326 1.00 31.48 O +ATOM 1971 OD2 ASP A 267 27.048 14.149 9.928 1.00 27.44 O +ATOM 1972 N ILE A 268 25.244 9.440 10.636 1.00 17.78 N +ATOM 1973 CA ILE A 268 24.846 8.177 11.250 1.00 16.13 C +ATOM 1974 C ILE A 268 26.024 7.211 11.288 1.00 15.28 C +ATOM 1975 O ILE A 268 26.330 6.645 12.331 1.00 15.53 O +ATOM 1976 CB ILE A 268 23.662 7.517 10.480 1.00 15.94 C +ATOM 1977 CG1 ILE A 268 22.331 8.164 10.886 1.00 19.59 C +ATOM 1978 CG2 ILE A 268 23.559 6.038 10.832 1.00 11.01 C +ATOM 1979 CD1 ILE A 268 22.353 9.655 10.945 1.00 23.68 C +ATOM 1980 N VAL A 269 26.689 7.022 10.153 1.00 14.99 N +ATOM 1981 CA VAL A 269 27.828 6.112 10.115 1.00 14.77 C +ATOM 1982 C VAL A 269 28.903 6.534 11.114 1.00 15.83 C +ATOM 1983 O VAL A 269 29.401 5.714 11.885 1.00 15.20 O +ATOM 1984 CB VAL A 269 28.450 6.047 8.708 1.00 14.59 C +ATOM 1985 CG1 VAL A 269 29.722 5.209 8.746 1.00 13.72 C +ATOM 1986 CG2 VAL A 269 27.442 5.449 7.723 1.00 13.91 C +ATOM 1987 N GLY A 270 29.258 7.816 11.095 1.00 15.60 N +ATOM 1988 CA GLY A 270 30.274 8.308 12.010 1.00 16.53 C +ATOM 1989 C GLY A 270 29.845 8.208 13.464 1.00 16.64 C +ATOM 1990 O GLY A 270 30.671 7.997 14.357 1.00 16.08 O +ATOM 1991 N ALA A 271 28.546 8.358 13.706 1.00 16.64 N +ATOM 1992 CA ALA A 271 28.008 8.281 15.058 1.00 15.54 C +ATOM 1993 C ALA A 271 28.052 6.843 15.573 1.00 16.54 C +ATOM 1994 O ALA A 271 28.351 6.608 16.748 1.00 17.11 O +ATOM 1995 CB ALA A 271 26.580 8.811 15.080 1.00 13.96 C +ATOM 1996 N VAL A 272 27.748 5.881 14.703 1.00 14.39 N +ATOM 1997 CA VAL A 272 27.787 4.475 15.099 1.00 13.61 C +ATOM 1998 C VAL A 272 29.246 4.102 15.404 1.00 13.93 C +ATOM 1999 O VAL A 272 29.526 3.330 16.319 1.00 13.09 O +ATOM 2000 CB VAL A 272 27.237 3.557 13.972 1.00 13.19 C +ATOM 2001 CG1 VAL A 272 27.510 2.098 14.297 1.00 10.01 C +ATOM 2002 CG2 VAL A 272 25.729 3.782 13.804 1.00 10.23 C +ATOM 2003 N GLU A 273 30.172 4.661 14.633 1.00 14.25 N +ATOM 2004 CA GLU A 273 31.592 4.397 14.843 1.00 17.35 C +ATOM 2005 C GLU A 273 31.999 4.894 16.226 1.00 17.76 C +ATOM 2006 O GLU A 273 33.001 4.451 16.792 1.00 18.40 O +ATOM 2007 CB GLU A 273 32.440 5.124 13.793 1.00 19.07 C +ATOM 2008 CG GLU A 273 32.323 4.582 12.386 1.00 21.12 C +ATOM 2009 CD GLU A 273 33.125 5.410 11.399 1.00 25.66 C +ATOM 2010 OE1 GLU A 273 32.816 6.608 11.242 1.00 27.61 O +ATOM 2011 OE2 GLU A 273 34.067 4.871 10.787 1.00 28.15 O +ATOM 2012 N ARG A 274 31.210 5.816 16.766 1.00 17.43 N +ATOM 2013 CA ARG A 274 31.496 6.388 18.067 1.00 15.82 C +ATOM 2014 C ARG A 274 30.613 5.855 19.196 1.00 17.50 C +ATOM 2015 O ARG A 274 30.617 6.401 20.302 1.00 18.27 O +ATOM 2016 CB ARG A 274 31.418 7.915 17.966 1.00 17.24 C +ATOM 2017 CG ARG A 274 32.490 8.481 17.028 1.00 16.76 C +ATOM 2018 CD ARG A 274 32.298 9.955 16.699 1.00 18.99 C +ATOM 2019 NE ARG A 274 33.443 10.486 15.954 1.00 20.23 N +ATOM 2020 CZ ARG A 274 33.774 10.132 14.714 1.00 21.67 C +ATOM 2021 NH1 ARG A 274 33.046 9.241 14.049 1.00 20.93 N +ATOM 2022 NH2 ARG A 274 34.846 10.658 14.139 1.00 22.04 N +ATOM 2023 N GLY A 275 29.862 4.787 18.923 1.00 15.47 N +ATOM 2024 CA GLY A 275 29.030 4.188 19.959 1.00 14.83 C +ATOM 2025 C GLY A 275 27.530 4.464 20.028 1.00 15.42 C +ATOM 2026 O GLY A 275 26.877 4.018 20.965 1.00 15.11 O +ATOM 2027 N ILE A 276 26.971 5.181 19.060 1.00 14.92 N +ATOM 2028 CA ILE A 276 25.541 5.469 19.078 1.00 14.63 C +ATOM 2029 C ILE A 276 24.732 4.288 18.537 1.00 15.78 C +ATOM 2030 O ILE A 276 25.120 3.660 17.549 1.00 14.54 O +ATOM 2031 CB ILE A 276 25.215 6.732 18.250 1.00 14.60 C +ATOM 2032 CG1 ILE A 276 25.814 7.974 18.922 1.00 14.75 C +ATOM 2033 CG2 ILE A 276 23.702 6.914 18.152 1.00 10.97 C +ATOM 2034 CD1 ILE A 276 27.311 7.984 19.013 1.00 23.22 C +ATOM 2035 N ASP A 277 23.603 4.002 19.183 1.00 13.75 N +ATOM 2036 CA ASP A 277 22.742 2.888 18.798 1.00 15.58 C +ATOM 2037 C ASP A 277 21.402 3.303 18.188 1.00 16.89 C +ATOM 2038 O ASP A 277 20.754 2.507 17.509 1.00 16.79 O +ATOM 2039 CB ASP A 277 22.449 2.012 20.024 1.00 15.58 C +ATOM 2040 CG ASP A 277 23.703 1.648 20.799 1.00 17.78 C +ATOM 2041 OD1 ASP A 277 24.573 0.955 20.233 1.00 14.88 O +ATOM 2042 OD2 ASP A 277 23.813 2.058 21.977 1.00 14.16 O +ATOM 2043 N MET A 278 20.976 4.538 18.435 1.00 15.83 N +ATOM 2044 CA MET A 278 19.687 4.990 17.927 1.00 15.20 C +ATOM 2045 C MET A 278 19.713 6.365 17.281 1.00 16.49 C +ATOM 2046 O MET A 278 20.411 7.268 17.743 1.00 16.28 O +ATOM 2047 CB MET A 278 18.670 4.975 19.063 1.00 13.31 C +ATOM 2048 CG MET A 278 18.433 3.591 19.638 1.00 14.62 C +ATOM 2049 SD MET A 278 17.536 3.631 21.196 1.00 16.01 S +ATOM 2050 CE MET A 278 15.917 4.193 20.671 1.00 17.63 C +ATOM 2051 N PHE A 279 18.933 6.509 16.211 1.00 16.18 N +ATOM 2052 CA PHE A 279 18.844 7.759 15.470 1.00 17.60 C +ATOM 2053 C PHE A 279 17.417 8.112 15.080 1.00 20.44 C +ATOM 2054 O PHE A 279 16.535 7.253 15.040 1.00 18.19 O +ATOM 2055 CB PHE A 279 19.664 7.679 14.185 1.00 16.19 C +ATOM 2056 CG PHE A 279 21.106 7.374 14.406 1.00 15.25 C +ATOM 2057 CD1 PHE A 279 21.531 6.061 14.607 1.00 14.68 C +ATOM 2058 CD2 PHE A 279 22.048 8.400 14.421 1.00 12.89 C +ATOM 2059 CE1 PHE A 279 22.879 5.778 14.821 1.00 14.87 C +ATOM 2060 CE2 PHE A 279 23.394 8.128 14.633 1.00 14.48 C +ATOM 2061 CZ PHE A 279 23.813 6.812 14.833 1.00 14.93 C +ATOM 2062 N ASP A 280 17.204 9.388 14.784 1.00 23.97 N +ATOM 2063 CA ASP A 280 15.901 9.872 14.356 1.00 29.55 C +ATOM 2064 C ASP A 280 16.133 11.152 13.571 1.00 34.24 C +ATOM 2065 O ASP A 280 17.086 11.883 13.843 1.00 35.45 O +ATOM 2066 CB ASP A 280 15.003 10.188 15.555 1.00 27.74 C +ATOM 2067 CG ASP A 280 15.334 11.528 16.194 1.00 27.05 C +ATOM 2068 OD1 ASP A 280 16.183 11.578 17.101 1.00 25.66 O +ATOM 2069 OD2 ASP A 280 14.752 12.543 15.771 1.00 29.21 O +ATOM 2070 N CYS A 281 15.275 11.424 12.595 1.00 39.65 N +ATOM 2071 CA CYS A 281 15.401 12.654 11.824 1.00 44.44 C +ATOM 2072 C CYS A 281 14.274 12.806 10.824 1.00 46.24 C +ATOM 2073 O CYS A 281 13.747 11.818 10.307 1.00 47.21 O +ATOM 2074 CB CYS A 281 16.748 12.713 11.095 1.00 46.12 C +ATOM 2075 SG CYS A 281 17.299 14.409 10.725 1.00 50.68 S +ATOM 2076 N VAL A 282 13.902 14.055 10.567 1.00 49.63 N +ATOM 2077 CA VAL A 282 12.835 14.367 9.623 1.00 53.50 C +ATOM 2078 C VAL A 282 13.417 14.564 8.230 1.00 55.34 C +ATOM 2079 O VAL A 282 12.682 14.670 7.249 1.00 56.02 O +ATOM 2080 CB VAL A 282 12.083 15.646 10.037 1.00 53.32 C +ATOM 2081 CG1 VAL A 282 11.252 15.382 11.281 1.00 53.52 C +ATOM 2082 CG2 VAL A 282 13.079 16.759 10.305 1.00 54.43 C +ATOM 2083 N LEU A 283 14.744 14.608 8.157 1.00 57.98 N +ATOM 2084 CA LEU A 283 15.453 14.783 6.893 1.00 60.83 C +ATOM 2085 C LEU A 283 14.850 13.874 5.809 1.00 62.59 C +ATOM 2086 O LEU A 283 14.540 14.332 4.710 1.00 62.18 O +ATOM 2087 CB LEU A 283 16.945 14.466 7.087 1.00 60.97 C +ATOM 2088 CG LEU A 283 17.992 15.089 6.156 1.00 61.31 C +ATOM 2089 CD1 LEU A 283 19.360 14.516 6.492 1.00 60.09 C +ATOM 2090 CD2 LEU A 283 17.650 14.812 4.707 1.00 61.47 C +ATOM 2091 N PRO A 284 14.671 12.574 6.112 1.00 64.33 N +ATOM 2092 CA PRO A 284 14.101 11.627 5.146 1.00 65.61 C +ATOM 2093 C PRO A 284 12.722 12.038 4.634 1.00 67.12 C +ATOM 2094 O PRO A 284 12.458 11.994 3.430 1.00 67.15 O +ATOM 2095 CB PRO A 284 14.044 10.323 5.937 1.00 65.81 C +ATOM 2096 CG PRO A 284 15.197 10.447 6.871 1.00 65.66 C +ATOM 2097 CD PRO A 284 15.075 11.872 7.344 1.00 64.92 C +ATOM 2098 N THR A 285 11.846 12.427 5.558 1.00 68.99 N +ATOM 2099 CA THR A 285 10.485 12.840 5.219 1.00 70.62 C +ATOM 2100 C THR A 285 10.446 14.187 4.504 1.00 71.42 C +ATOM 2101 O THR A 285 9.808 14.324 3.458 1.00 71.64 O +ATOM 2102 CB THR A 285 9.593 12.932 6.479 1.00 70.68 C +ATOM 2103 OG1 THR A 285 10.170 13.857 7.409 1.00 71.03 O +ATOM 2104 CG2 THR A 285 9.453 11.566 7.137 1.00 70.00 C +ATOM 2105 N ARG A 286 11.122 15.182 5.074 1.00 72.10 N +ATOM 2106 CA ARG A 286 11.161 16.508 4.472 1.00 73.15 C +ATOM 2107 C ARG A 286 11.804 16.441 3.088 1.00 73.01 C +ATOM 2108 O ARG A 286 11.436 17.199 2.190 1.00 72.77 O +ATOM 2109 CB ARG A 286 11.937 17.481 5.364 1.00 73.90 C +ATOM 2110 CG ARG A 286 13.350 17.043 5.699 1.00 74.92 C +ATOM 2111 CD ARG A 286 14.058 18.080 6.563 1.00 76.72 C +ATOM 2112 NE ARG A 286 13.255 18.475 7.718 1.00 77.52 N +ATOM 2113 CZ ARG A 286 13.652 19.339 8.647 1.00 77.95 C +ATOM 2114 NH1 ARG A 286 14.850 19.902 8.563 1.00 78.62 N +ATOM 2115 NH2 ARG A 286 12.849 19.646 9.657 1.00 78.03 N +ATOM 2116 N SER A 287 12.759 15.528 2.923 1.00 72.71 N +ATOM 2117 CA SER A 287 13.441 15.350 1.644 1.00 71.87 C +ATOM 2118 C SER A 287 12.487 14.769 0.612 1.00 71.38 C +ATOM 2119 O SER A 287 12.809 14.697 -0.574 1.00 71.04 O +ATOM 2120 CB SER A 287 14.648 14.426 1.803 1.00 71.74 C +ATOM 2121 OG SER A 287 15.642 15.033 2.605 1.00 71.87 O +ATOM 2122 N GLY A 288 11.311 14.353 1.075 1.00 71.21 N +ATOM 2123 CA GLY A 288 10.315 13.791 0.183 1.00 69.93 C +ATOM 2124 C GLY A 288 9.610 14.868 -0.622 1.00 69.01 C +ATOM 2125 O GLY A 288 9.244 14.651 -1.778 1.00 69.04 O +ATOM 2126 N ARG A 289 9.416 16.033 -0.012 1.00 67.83 N +ATOM 2127 CA ARG A 289 8.755 17.144 -0.690 1.00 66.45 C +ATOM 2128 C ARG A 289 9.731 18.095 -1.373 1.00 63.19 C +ATOM 2129 O ARG A 289 9.437 18.625 -2.446 1.00 63.35 O +ATOM 2130 CB ARG A 289 7.894 17.942 0.292 1.00 69.13 C +ATOM 2131 CG ARG A 289 6.461 17.460 0.417 1.00 71.17 C +ATOM 2132 CD ARG A 289 5.559 18.632 0.759 1.00 73.55 C +ATOM 2133 NE ARG A 289 5.670 19.683 -0.251 1.00 75.03 N +ATOM 2134 CZ ARG A 289 5.082 20.872 -0.171 1.00 75.80 C +ATOM 2135 NH1 ARG A 289 4.331 21.179 0.879 1.00 76.12 N +ATOM 2136 NH2 ARG A 289 5.248 21.759 -1.143 1.00 76.09 N +ATOM 2137 N ASN A 290 10.884 18.322 -0.750 1.00 59.31 N +ATOM 2138 CA ASN A 290 11.880 19.222 -1.321 1.00 55.04 C +ATOM 2139 C ASN A 290 12.518 18.636 -2.575 1.00 50.06 C +ATOM 2140 O ASN A 290 13.149 19.357 -3.355 1.00 49.96 O +ATOM 2141 CB ASN A 290 12.964 19.550 -0.292 1.00 58.01 C +ATOM 2142 CG ASN A 290 13.621 18.312 0.278 1.00 60.86 C +ATOM 2143 OD1 ASN A 290 14.069 17.436 -0.461 1.00 62.07 O +ATOM 2144 ND2 ASN A 290 13.690 18.238 1.605 1.00 63.18 N +ATOM 2145 N GLY A 291 12.360 17.328 -2.764 1.00 42.71 N +ATOM 2146 CA GLY A 291 12.915 16.687 -3.944 1.00 35.81 C +ATOM 2147 C GLY A 291 14.243 15.974 -3.762 1.00 29.46 C +ATOM 2148 O GLY A 291 14.810 15.469 -4.730 1.00 28.42 O +ATOM 2149 N GLN A 292 14.743 15.926 -2.532 1.00 24.58 N +ATOM 2150 CA GLN A 292 16.010 15.256 -2.260 1.00 22.18 C +ATOM 2151 C GLN A 292 15.826 13.757 -2.045 1.00 18.32 C +ATOM 2152 O GLN A 292 15.095 13.340 -1.150 1.00 17.07 O +ATOM 2153 CB GLN A 292 16.679 15.866 -1.027 1.00 26.14 C +ATOM 2154 CG GLN A 292 17.874 15.072 -0.529 1.00 30.24 C +ATOM 2155 CD GLN A 292 18.496 15.670 0.715 1.00 34.11 C +ATOM 2156 OE1 GLN A 292 17.806 15.947 1.698 1.00 36.29 O +ATOM 2157 NE2 GLN A 292 19.808 15.866 0.682 1.00 35.38 N +ATOM 2158 N ALA A 293 16.503 12.959 -2.865 1.00 15.48 N +ATOM 2159 CA ALA A 293 16.439 11.503 -2.780 1.00 15.94 C +ATOM 2160 C ALA A 293 17.831 10.942 -2.475 1.00 16.80 C +ATOM 2161 O ALA A 293 18.811 11.290 -3.133 1.00 17.61 O +ATOM 2162 CB ALA A 293 15.924 10.926 -4.091 1.00 14.71 C +ATOM 2163 N PHE A 294 17.919 10.076 -1.474 1.00 16.61 N +ATOM 2164 CA PHE A 294 19.204 9.494 -1.111 1.00 17.54 C +ATOM 2165 C PHE A 294 19.570 8.312 -1.996 1.00 18.50 C +ATOM 2166 O PHE A 294 18.719 7.487 -2.333 1.00 17.35 O +ATOM 2167 CB PHE A 294 19.176 9.064 0.352 1.00 19.44 C +ATOM 2168 CG PHE A 294 19.081 10.210 1.304 1.00 22.87 C +ATOM 2169 CD1 PHE A 294 20.203 10.983 1.587 1.00 23.59 C +ATOM 2170 CD2 PHE A 294 17.863 10.548 1.889 1.00 24.97 C +ATOM 2171 CE1 PHE A 294 20.119 12.083 2.442 1.00 25.66 C +ATOM 2172 CE2 PHE A 294 17.764 11.646 2.745 1.00 26.08 C +ATOM 2173 CZ PHE A 294 18.898 12.414 3.021 1.00 26.97 C +ATOM 2174 N THR A 295 20.837 8.259 -2.393 1.00 18.61 N +ATOM 2175 CA THR A 295 21.346 7.173 -3.217 1.00 18.67 C +ATOM 2176 C THR A 295 22.712 6.823 -2.645 1.00 19.09 C +ATOM 2177 O THR A 295 23.281 7.594 -1.870 1.00 17.94 O +ATOM 2178 CB THR A 295 21.529 7.588 -4.694 1.00 19.19 C +ATOM 2179 OG1 THR A 295 22.782 8.264 -4.849 1.00 17.74 O +ATOM 2180 CG2 THR A 295 20.404 8.508 -5.139 1.00 20.56 C +ATOM 2181 N TRP A 296 23.241 5.668 -3.023 1.00 18.21 N +ATOM 2182 CA TRP A 296 24.544 5.263 -2.516 1.00 19.99 C +ATOM 2183 C TRP A 296 25.660 6.108 -3.108 1.00 20.96 C +ATOM 2184 O TRP A 296 26.785 6.103 -2.606 1.00 23.04 O +ATOM 2185 CB TRP A 296 24.772 3.775 -2.783 1.00 17.88 C +ATOM 2186 CG TRP A 296 23.800 2.943 -2.013 1.00 17.04 C +ATOM 2187 CD1 TRP A 296 22.715 2.279 -2.505 1.00 17.83 C +ATOM 2188 CD2 TRP A 296 23.763 2.777 -0.592 1.00 19.21 C +ATOM 2189 NE1 TRP A 296 22.000 1.710 -1.477 1.00 20.64 N +ATOM 2190 CE2 TRP A 296 22.622 2.002 -0.291 1.00 20.36 C +ATOM 2191 CE3 TRP A 296 24.583 3.213 0.460 1.00 19.64 C +ATOM 2192 CZ2 TRP A 296 22.275 1.653 1.021 1.00 21.62 C +ATOM 2193 CZ3 TRP A 296 24.239 2.866 1.763 1.00 20.33 C +ATOM 2194 CH2 TRP A 296 23.092 2.093 2.030 1.00 20.28 C +ATOM 2195 N ASP A 297 25.338 6.853 -4.162 1.00 20.67 N +ATOM 2196 CA ASP A 297 26.312 7.729 -4.813 1.00 23.28 C +ATOM 2197 C ASP A 297 26.119 9.163 -4.353 1.00 22.29 C +ATOM 2198 O ASP A 297 26.606 10.099 -4.979 1.00 24.38 O +ATOM 2199 CB ASP A 297 26.159 7.649 -6.331 1.00 25.71 C +ATOM 2200 CG ASP A 297 26.508 6.282 -6.870 1.00 26.97 C +ATOM 2201 OD1 ASP A 297 27.694 5.903 -6.775 1.00 29.80 O +ATOM 2202 OD2 ASP A 297 25.606 5.582 -7.375 1.00 25.43 O +ATOM 2203 N GLY A 298 25.404 9.323 -3.247 1.00 21.74 N +ATOM 2204 CA GLY A 298 25.143 10.646 -2.715 1.00 20.55 C +ATOM 2205 C GLY A 298 23.714 11.061 -3.003 1.00 19.02 C +ATOM 2206 O GLY A 298 23.045 10.458 -3.837 1.00 19.66 O +ATOM 2207 N PRO A 299 23.213 12.096 -2.331 1.00 19.63 N +ATOM 2208 CA PRO A 299 21.837 12.521 -2.586 1.00 19.10 C +ATOM 2209 C PRO A 299 21.697 13.249 -3.920 1.00 18.88 C +ATOM 2210 O PRO A 299 22.659 13.805 -4.435 1.00 17.80 O +ATOM 2211 CB PRO A 299 21.540 13.427 -1.398 1.00 19.35 C +ATOM 2212 CG PRO A 299 22.872 14.069 -1.145 1.00 22.29 C +ATOM 2213 CD PRO A 299 23.841 12.916 -1.278 1.00 19.97 C +ATOM 2214 N ILE A 300 20.500 13.214 -4.488 1.00 17.28 N +ATOM 2215 CA ILE A 300 20.240 13.911 -5.742 1.00 18.98 C +ATOM 2216 C ILE A 300 18.956 14.699 -5.554 1.00 18.37 C +ATOM 2217 O ILE A 300 18.132 14.342 -4.713 1.00 18.00 O +ATOM 2218 CB ILE A 300 20.029 12.930 -6.917 1.00 16.97 C +ATOM 2219 CG1 ILE A 300 18.837 12.009 -6.622 1.00 17.97 C +ATOM 2220 CG2 ILE A 300 21.305 12.142 -7.171 1.00 17.43 C +ATOM 2221 CD1 ILE A 300 18.488 11.041 -7.754 1.00 18.88 C +ATOM 2222 N ASN A 301 18.795 15.787 -6.298 1.00 19.29 N +ATOM 2223 CA ASN A 301 17.554 16.539 -6.201 1.00 20.70 C +ATOM 2224 C ASN A 301 16.775 16.159 -7.449 1.00 19.74 C +ATOM 2225 O ASN A 301 17.077 16.619 -8.556 1.00 18.22 O +ATOM 2226 CB ASN A 301 17.777 18.048 -6.178 1.00 24.89 C +ATOM 2227 CG ASN A 301 16.518 18.802 -5.764 1.00 28.02 C +ATOM 2228 OD1 ASN A 301 15.440 18.599 -6.332 1.00 25.38 O +ATOM 2229 ND2 ASN A 301 16.645 19.665 -4.760 1.00 33.38 N +ATOM 2230 N ILE A 302 15.776 15.310 -7.255 1.00 17.84 N +ATOM 2231 CA ILE A 302 14.959 14.811 -8.347 1.00 17.44 C +ATOM 2232 C ILE A 302 14.302 15.888 -9.228 1.00 17.19 C +ATOM 2233 O ILE A 302 13.891 15.600 -10.355 1.00 18.42 O +ATOM 2234 CB ILE A 302 13.881 13.842 -7.799 1.00 14.80 C +ATOM 2235 CG1 ILE A 302 13.364 12.955 -8.932 1.00 17.03 C +ATOM 2236 CG2 ILE A 302 12.746 14.625 -7.151 1.00 16.77 C +ATOM 2237 CD1 ILE A 302 14.444 12.096 -9.573 1.00 12.88 C +ATOM 2238 N ARG A 303 14.206 17.116 -8.729 1.00 14.85 N +ATOM 2239 CA ARG A 303 13.600 18.195 -9.505 1.00 16.45 C +ATOM 2240 C ARG A 303 14.503 18.670 -10.635 1.00 17.20 C +ATOM 2241 O ARG A 303 14.045 19.329 -11.575 1.00 14.58 O +ATOM 2242 CB ARG A 303 13.282 19.394 -8.617 1.00 18.30 C +ATOM 2243 CG ARG A 303 12.225 19.158 -7.563 1.00 21.88 C +ATOM 2244 CD ARG A 303 11.999 20.447 -6.803 1.00 22.66 C +ATOM 2245 NE ARG A 303 11.612 21.504 -7.729 1.00 26.38 N +ATOM 2246 CZ ARG A 303 10.357 21.884 -7.957 1.00 27.39 C +ATOM 2247 NH1 ARG A 303 9.358 21.300 -7.310 1.00 24.61 N +ATOM 2248 NH2 ARG A 303 10.101 22.826 -8.857 1.00 25.62 N +ATOM 2249 N ASN A 304 15.789 18.341 -10.545 1.00 17.30 N +ATOM 2250 CA ASN A 304 16.732 18.771 -11.567 1.00 19.47 C +ATOM 2251 C ASN A 304 16.317 18.281 -12.941 1.00 20.24 C +ATOM 2252 O ASN A 304 15.929 17.125 -13.108 1.00 20.04 O +ATOM 2253 CB ASN A 304 18.148 18.285 -11.251 1.00 19.85 C +ATOM 2254 CG ASN A 304 19.181 18.917 -12.160 1.00 19.53 C +ATOM 2255 OD1 ASN A 304 19.193 18.676 -13.366 1.00 19.19 O +ATOM 2256 ND2 ASN A 304 20.042 19.746 -11.590 1.00 20.48 N +ATOM 2257 N ALA A 305 16.417 19.170 -13.925 1.00 21.18 N +ATOM 2258 CA ALA A 305 16.029 18.863 -15.296 1.00 20.41 C +ATOM 2259 C ALA A 305 16.708 17.634 -15.884 1.00 20.46 C +ATOM 2260 O ALA A 305 16.145 16.974 -16.752 1.00 18.97 O +ATOM 2261 CB ALA A 305 16.284 20.071 -16.188 1.00 22.90 C +ATOM 2262 N ARG A 306 17.911 17.316 -15.425 1.00 20.37 N +ATOM 2263 CA ARG A 306 18.589 16.149 -15.970 1.00 22.90 C +ATOM 2264 C ARG A 306 17.852 14.839 -15.693 1.00 19.88 C +ATOM 2265 O ARG A 306 18.203 13.807 -16.255 1.00 21.31 O +ATOM 2266 CB ARG A 306 20.027 16.049 -15.443 1.00 25.56 C +ATOM 2267 CG ARG A 306 20.161 15.885 -13.937 1.00 30.22 C +ATOM 2268 CD ARG A 306 21.584 15.463 -13.579 1.00 33.57 C +ATOM 2269 NE ARG A 306 21.863 15.627 -12.159 1.00 38.28 N +ATOM 2270 CZ ARG A 306 22.106 16.798 -11.576 1.00 41.74 C +ATOM 2271 NH1 ARG A 306 22.110 17.914 -12.296 1.00 43.34 N +ATOM 2272 NH2 ARG A 306 22.332 16.858 -10.270 1.00 43.39 N +ATOM 2273 N PHE A 307 16.830 14.871 -14.842 1.00 18.74 N +ATOM 2274 CA PHE A 307 16.090 13.645 -14.526 1.00 18.14 C +ATOM 2275 C PHE A 307 14.754 13.526 -15.257 1.00 18.27 C +ATOM 2276 O PHE A 307 14.049 12.528 -15.106 1.00 17.57 O +ATOM 2277 CB PHE A 307 15.847 13.548 -13.014 1.00 17.08 C +ATOM 2278 CG PHE A 307 17.110 13.479 -12.201 1.00 17.06 C +ATOM 2279 CD1 PHE A 307 17.999 12.421 -12.365 1.00 15.11 C +ATOM 2280 CD2 PHE A 307 17.421 14.484 -11.288 1.00 14.74 C +ATOM 2281 CE1 PHE A 307 19.180 12.364 -11.635 1.00 15.92 C +ATOM 2282 CE2 PHE A 307 18.605 14.438 -10.549 1.00 15.52 C +ATOM 2283 CZ PHE A 307 19.484 13.379 -10.723 1.00 17.62 C +ATOM 2284 N SER A 308 14.413 14.534 -16.055 1.00 17.69 N +ATOM 2285 CA SER A 308 13.143 14.540 -16.781 1.00 17.94 C +ATOM 2286 C SER A 308 12.884 13.298 -17.636 1.00 18.49 C +ATOM 2287 O SER A 308 11.740 12.871 -17.780 1.00 19.27 O +ATOM 2288 CB SER A 308 13.044 15.792 -17.661 1.00 19.12 C +ATOM 2289 OG SER A 308 14.019 15.780 -18.693 1.00 20.31 O +ATOM 2290 N GLU A 309 13.936 12.710 -18.198 1.00 18.24 N +ATOM 2291 CA GLU A 309 13.763 11.528 -19.034 1.00 18.33 C +ATOM 2292 C GLU A 309 14.608 10.353 -18.561 1.00 18.55 C +ATOM 2293 O GLU A 309 14.883 9.424 -19.325 1.00 16.77 O +ATOM 2294 CB GLU A 309 14.102 11.868 -20.491 1.00 21.48 C +ATOM 2295 CG GLU A 309 13.447 13.169 -20.947 1.00 23.94 C +ATOM 2296 CD GLU A 309 13.496 13.382 -22.449 1.00 24.62 C +ATOM 2297 OE1 GLU A 309 14.518 13.041 -23.082 1.00 27.21 O +ATOM 2298 OE2 GLU A 309 12.509 13.915 -22.989 1.00 26.27 O +ATOM 2299 N ASP A 310 15.017 10.395 -17.297 1.00 16.72 N +ATOM 2300 CA ASP A 310 15.821 9.321 -16.725 1.00 17.35 C +ATOM 2301 C ASP A 310 14.893 8.161 -16.330 1.00 17.46 C +ATOM 2302 O ASP A 310 14.102 8.280 -15.395 1.00 16.68 O +ATOM 2303 CB ASP A 310 16.571 9.828 -15.494 1.00 17.90 C +ATOM 2304 CG ASP A 310 17.710 8.915 -15.087 1.00 19.03 C +ATOM 2305 OD1 ASP A 310 17.665 7.707 -15.410 1.00 19.31 O +ATOM 2306 OD2 ASP A 310 18.647 9.408 -14.433 1.00 20.38 O +ATOM 2307 N LEU A 311 14.991 7.048 -17.054 1.00 17.15 N +ATOM 2308 CA LEU A 311 14.166 5.875 -16.790 1.00 17.11 C +ATOM 2309 C LEU A 311 14.629 5.028 -15.606 1.00 17.05 C +ATOM 2310 O LEU A 311 13.886 4.175 -15.124 1.00 13.82 O +ATOM 2311 CB LEU A 311 14.088 4.987 -18.037 1.00 20.29 C +ATOM 2312 CG LEU A 311 13.131 5.421 -19.154 1.00 23.54 C +ATOM 2313 CD1 LEU A 311 11.762 5.725 -18.555 1.00 25.43 C +ATOM 2314 CD2 LEU A 311 13.670 6.640 -19.864 1.00 27.38 C +ATOM 2315 N LYS A 312 15.855 5.254 -15.142 1.00 18.04 N +ATOM 2316 CA LYS A 312 16.390 4.499 -14.010 1.00 17.25 C +ATOM 2317 C LYS A 312 15.668 4.812 -12.704 1.00 17.42 C +ATOM 2318 O LYS A 312 15.050 5.868 -12.551 1.00 15.88 O +ATOM 2319 CB LYS A 312 17.885 4.789 -13.831 1.00 17.29 C +ATOM 2320 CG LYS A 312 18.747 4.399 -15.027 1.00 19.78 C +ATOM 2321 CD LYS A 312 20.228 4.607 -14.745 1.00 21.43 C +ATOM 2322 CE LYS A 312 20.555 6.067 -14.468 1.00 21.98 C +ATOM 2323 NZ LYS A 312 20.280 6.939 -15.649 1.00 23.05 N +ATOM 2324 N PRO A 313 15.713 3.873 -11.746 1.00 17.51 N +ATOM 2325 CA PRO A 313 15.053 4.107 -10.461 1.00 15.01 C +ATOM 2326 C PRO A 313 15.870 5.127 -9.674 1.00 14.14 C +ATOM 2327 O PRO A 313 17.011 5.416 -10.031 1.00 12.70 O +ATOM 2328 CB PRO A 313 15.068 2.726 -9.811 1.00 16.15 C +ATOM 2329 CG PRO A 313 16.335 2.104 -10.372 1.00 18.78 C +ATOM 2330 CD PRO A 313 16.243 2.498 -11.829 1.00 16.98 C +ATOM 2331 N LEU A 314 15.287 5.672 -8.613 1.00 13.53 N +ATOM 2332 CA LEU A 314 15.982 6.653 -7.783 1.00 15.83 C +ATOM 2333 C LEU A 314 17.407 6.176 -7.501 1.00 17.00 C +ATOM 2334 O LEU A 314 18.371 6.930 -7.666 1.00 16.89 O +ATOM 2335 CB LEU A 314 15.217 6.854 -6.471 1.00 15.73 C +ATOM 2336 CG LEU A 314 14.285 8.062 -6.306 1.00 20.43 C +ATOM 2337 CD1 LEU A 314 13.987 8.720 -7.637 1.00 20.27 C +ATOM 2338 CD2 LEU A 314 13.010 7.612 -5.599 1.00 14.66 C +ATOM 2339 N ASP A 315 17.533 4.921 -7.079 1.00 18.25 N +ATOM 2340 CA ASP A 315 18.844 4.334 -6.801 1.00 20.60 C +ATOM 2341 C ASP A 315 18.952 2.956 -7.449 1.00 21.57 C +ATOM 2342 O ASP A 315 18.046 2.134 -7.335 1.00 20.50 O +ATOM 2343 CB ASP A 315 19.088 4.232 -5.290 1.00 19.47 C +ATOM 2344 CG ASP A 315 20.401 3.543 -4.960 1.00 20.41 C +ATOM 2345 OD1 ASP A 315 20.416 2.297 -4.873 1.00 21.47 O +ATOM 2346 OD2 ASP A 315 21.422 4.246 -4.803 1.00 18.89 O +ATOM 2347 N SER A 316 20.077 2.717 -8.119 1.00 23.65 N +ATOM 2348 CA SER A 316 20.332 1.462 -8.826 1.00 23.75 C +ATOM 2349 C SER A 316 20.301 0.186 -7.986 1.00 23.14 C +ATOM 2350 O SER A 316 20.052 -0.894 -8.515 1.00 22.10 O +ATOM 2351 CB SER A 316 21.684 1.539 -9.544 1.00 26.01 C +ATOM 2352 OG SER A 316 22.750 1.641 -8.613 1.00 27.27 O +ATOM 2353 N GLU A 317 20.549 0.300 -6.686 1.00 22.38 N +ATOM 2354 CA GLU A 317 20.564 -0.878 -5.820 1.00 22.51 C +ATOM 2355 C GLU A 317 19.390 -0.991 -4.855 1.00 21.82 C +ATOM 2356 O GLU A 317 18.997 -2.093 -4.479 1.00 22.25 O +ATOM 2357 CB GLU A 317 21.865 -0.906 -5.016 1.00 24.23 C +ATOM 2358 CG GLU A 317 23.097 -1.226 -5.838 1.00 25.21 C +ATOM 2359 CD GLU A 317 24.378 -0.973 -5.076 1.00 25.35 C +ATOM 2360 OE1 GLU A 317 24.410 -1.218 -3.853 1.00 27.96 O +ATOM 2361 OE2 GLU A 317 25.357 -0.538 -5.706 1.00 27.02 O +ATOM 2362 N CYS A 318 18.841 0.145 -4.442 1.00 21.30 N +ATOM 2363 CA CYS A 318 17.732 0.147 -3.499 1.00 20.88 C +ATOM 2364 C CYS A 318 16.683 -0.893 -3.868 1.00 21.88 C +ATOM 2365 O CYS A 318 16.318 -1.033 -5.035 1.00 21.40 O +ATOM 2366 CB CYS A 318 17.086 1.533 -3.440 1.00 18.85 C +ATOM 2367 SG CYS A 318 15.692 1.617 -2.305 1.00 19.07 S +ATOM 2368 N HIS A 319 16.196 -1.621 -2.872 1.00 21.90 N +ATOM 2369 CA HIS A 319 15.192 -2.641 -3.131 1.00 24.04 C +ATOM 2370 C HIS A 319 13.781 -2.244 -2.687 1.00 21.43 C +ATOM 2371 O HIS A 319 12.895 -3.093 -2.592 1.00 20.86 O +ATOM 2372 CB HIS A 319 15.615 -3.963 -2.476 1.00 30.28 C +ATOM 2373 CG HIS A 319 15.799 -3.884 -0.991 1.00 36.99 C +ATOM 2374 ND1 HIS A 319 16.608 -4.761 -0.299 1.00 41.25 N +ATOM 2375 CD2 HIS A 319 15.252 -3.065 -0.061 1.00 40.62 C +ATOM 2376 CE1 HIS A 319 16.552 -4.485 0.993 1.00 41.97 C +ATOM 2377 NE2 HIS A 319 15.735 -3.460 1.164 1.00 42.81 N +ATOM 2378 N CYS A 320 13.565 -0.955 -2.435 1.00 16.83 N +ATOM 2379 CA CYS A 320 12.248 -0.494 -2.003 1.00 16.11 C +ATOM 2380 C CYS A 320 11.231 -0.591 -3.143 1.00 15.36 C +ATOM 2381 O CYS A 320 11.595 -0.606 -4.320 1.00 15.75 O +ATOM 2382 CB CYS A 320 12.321 0.950 -1.496 1.00 15.13 C +ATOM 2383 SG CYS A 320 12.223 2.204 -2.793 1.00 13.68 S +ATOM 2384 N ALA A 321 9.955 -0.653 -2.786 1.00 14.63 N +ATOM 2385 CA ALA A 321 8.884 -0.759 -3.770 1.00 15.35 C +ATOM 2386 C ALA A 321 8.909 0.363 -4.811 1.00 16.50 C +ATOM 2387 O ALA A 321 8.517 0.163 -5.963 1.00 15.07 O +ATOM 2388 CB ALA A 321 7.526 -0.786 -3.057 1.00 14.97 C +ATOM 2389 N VAL A 322 9.366 1.544 -4.414 1.00 15.23 N +ATOM 2390 CA VAL A 322 9.417 2.669 -5.347 1.00 16.08 C +ATOM 2391 C VAL A 322 10.443 2.442 -6.459 1.00 16.42 C +ATOM 2392 O VAL A 322 10.171 2.700 -7.632 1.00 20.18 O +ATOM 2393 CB VAL A 322 9.756 3.985 -4.611 1.00 14.87 C +ATOM 2394 CG1 VAL A 322 9.787 5.156 -5.595 1.00 14.91 C +ATOM 2395 CG2 VAL A 322 8.737 4.230 -3.511 1.00 15.94 C +ATOM 2396 N CYS A 323 11.621 1.955 -6.090 1.00 17.27 N +ATOM 2397 CA CYS A 323 12.676 1.715 -7.064 1.00 16.73 C +ATOM 2398 C CYS A 323 12.407 0.514 -7.954 1.00 17.56 C +ATOM 2399 O CYS A 323 13.058 0.343 -8.983 1.00 15.14 O +ATOM 2400 CB CYS A 323 14.010 1.554 -6.353 1.00 15.63 C +ATOM 2401 SG CYS A 323 14.587 3.094 -5.628 1.00 16.25 S +ATOM 2402 N GLN A 324 11.451 -0.322 -7.556 1.00 18.34 N +ATOM 2403 CA GLN A 324 11.099 -1.483 -8.362 1.00 20.96 C +ATOM 2404 C GLN A 324 10.063 -1.068 -9.399 1.00 20.13 C +ATOM 2405 O GLN A 324 10.032 -1.600 -10.502 1.00 17.73 O +ATOM 2406 CB GLN A 324 10.438 -2.587 -7.527 1.00 25.46 C +ATOM 2407 CG GLN A 324 11.131 -2.985 -6.255 1.00 34.58 C +ATOM 2408 CD GLN A 324 10.391 -4.103 -5.547 1.00 39.77 C +ATOM 2409 OE1 GLN A 324 9.179 -4.019 -5.325 1.00 42.48 O +ATOM 2410 NE2 GLN A 324 11.116 -5.159 -5.189 1.00 42.24 N +ATOM 2411 N LYS A 325 9.219 -0.109 -9.034 1.00 19.65 N +ATOM 2412 CA LYS A 325 8.119 0.285 -9.904 1.00 20.94 C +ATOM 2413 C LYS A 325 8.136 1.592 -10.676 1.00 20.15 C +ATOM 2414 O LYS A 325 7.547 1.662 -11.749 1.00 20.49 O +ATOM 2415 CB LYS A 325 6.821 0.226 -9.099 1.00 21.61 C +ATOM 2416 CG LYS A 325 6.607 -1.099 -8.381 1.00 25.08 C +ATOM 2417 CD LYS A 325 5.336 -1.083 -7.543 1.00 28.89 C +ATOM 2418 CE LYS A 325 5.186 -2.379 -6.766 1.00 31.31 C +ATOM 2419 NZ LYS A 325 3.901 -2.432 -6.029 1.00 35.17 N +ATOM 2420 N TRP A 326 8.776 2.629 -10.148 1.00 18.98 N +ATOM 2421 CA TRP A 326 8.772 3.907 -10.849 1.00 17.09 C +ATOM 2422 C TRP A 326 10.141 4.481 -11.165 1.00 17.41 C +ATOM 2423 O TRP A 326 11.129 4.215 -10.472 1.00 17.85 O +ATOM 2424 CB TRP A 326 7.943 4.918 -10.051 1.00 16.10 C +ATOM 2425 CG TRP A 326 6.514 4.484 -9.910 1.00 14.60 C +ATOM 2426 CD1 TRP A 326 5.527 4.599 -10.846 1.00 13.21 C +ATOM 2427 CD2 TRP A 326 5.930 3.808 -8.791 1.00 14.62 C +ATOM 2428 NE1 TRP A 326 4.364 4.036 -10.380 1.00 17.18 N +ATOM 2429 CE2 TRP A 326 4.581 3.541 -9.121 1.00 15.98 C +ATOM 2430 CE3 TRP A 326 6.415 3.399 -7.539 1.00 15.74 C +ATOM 2431 CZ2 TRP A 326 3.707 2.884 -8.244 1.00 15.83 C +ATOM 2432 CZ3 TRP A 326 5.546 2.744 -6.664 1.00 17.06 C +ATOM 2433 CH2 TRP A 326 4.204 2.494 -7.025 1.00 18.17 C +ATOM 2434 N SER A 327 10.182 5.287 -12.219 1.00 14.98 N +ATOM 2435 CA SER A 327 11.417 5.904 -12.669 1.00 14.58 C +ATOM 2436 C SER A 327 11.642 7.280 -12.068 1.00 14.93 C +ATOM 2437 O SER A 327 10.735 7.885 -11.494 1.00 14.41 O +ATOM 2438 CB SER A 327 11.391 6.059 -14.186 1.00 16.76 C +ATOM 2439 OG SER A 327 10.420 7.032 -14.544 1.00 13.32 O +ATOM 2440 N ARG A 328 12.869 7.767 -12.219 1.00 14.93 N +ATOM 2441 CA ARG A 328 13.235 9.092 -11.753 1.00 14.26 C +ATOM 2442 C ARG A 328 12.395 10.088 -12.546 1.00 14.32 C +ATOM 2443 O ARG A 328 11.902 11.066 -11.998 1.00 14.06 O +ATOM 2444 CB ARG A 328 14.716 9.355 -12.024 1.00 12.90 C +ATOM 2445 CG ARG A 328 15.648 8.532 -11.181 1.00 14.90 C +ATOM 2446 CD ARG A 328 17.079 8.723 -11.610 1.00 16.01 C +ATOM 2447 NE ARG A 328 18.004 8.182 -10.623 1.00 17.48 N +ATOM 2448 CZ ARG A 328 19.326 8.217 -10.752 1.00 20.44 C +ATOM 2449 NH1 ARG A 328 19.868 8.767 -11.833 1.00 17.64 N +ATOM 2450 NH2 ARG A 328 20.101 7.711 -9.799 1.00 17.73 N +ATOM 2451 N ALA A 329 12.243 9.822 -13.842 1.00 12.92 N +ATOM 2452 CA ALA A 329 11.469 10.683 -14.738 1.00 14.59 C +ATOM 2453 C ALA A 329 10.058 10.921 -14.225 1.00 13.95 C +ATOM 2454 O ALA A 329 9.564 12.053 -14.222 1.00 14.86 O +ATOM 2455 CB ALA A 329 11.413 10.071 -16.141 1.00 13.85 C +ATOM 2456 N TYR A 330 9.401 9.852 -13.795 1.00 14.95 N +ATOM 2457 CA TYR A 330 8.047 9.969 -13.279 1.00 15.65 C +ATOM 2458 C TYR A 330 8.018 10.758 -11.966 1.00 15.75 C +ATOM 2459 O TYR A 330 7.189 11.647 -11.788 1.00 14.10 O +ATOM 2460 CB TYR A 330 7.437 8.580 -13.058 1.00 14.71 C +ATOM 2461 CG TYR A 330 6.004 8.609 -12.541 1.00 15.27 C +ATOM 2462 CD1 TYR A 330 5.007 9.303 -13.230 1.00 13.89 C +ATOM 2463 CD2 TYR A 330 5.648 7.943 -11.366 1.00 14.59 C +ATOM 2464 CE1 TYR A 330 3.685 9.337 -12.759 1.00 14.81 C +ATOM 2465 CE2 TYR A 330 4.327 7.964 -10.890 1.00 13.89 C +ATOM 2466 CZ TYR A 330 3.352 8.664 -11.590 1.00 16.19 C +ATOM 2467 OH TYR A 330 2.046 8.697 -11.127 1.00 14.63 O +ATOM 2468 N ILE A 331 8.930 10.434 -11.056 1.00 15.77 N +ATOM 2469 CA ILE A 331 8.971 11.103 -9.759 1.00 16.55 C +ATOM 2470 C ILE A 331 9.350 12.567 -9.931 1.00 16.81 C +ATOM 2471 O ILE A 331 8.870 13.431 -9.195 1.00 19.06 O +ATOM 2472 CB ILE A 331 9.949 10.375 -8.797 1.00 14.77 C +ATOM 2473 CG1 ILE A 331 9.447 8.945 -8.571 1.00 16.30 C +ATOM 2474 CG2 ILE A 331 10.011 11.092 -7.443 1.00 14.65 C +ATOM 2475 CD1 ILE A 331 10.342 8.092 -7.681 1.00 15.61 C +ATOM 2476 N HIS A 332 10.215 12.833 -10.907 1.00 16.18 N +ATOM 2477 CA HIS A 332 10.643 14.192 -11.237 1.00 15.72 C +ATOM 2478 C HIS A 332 9.368 14.957 -11.599 1.00 14.29 C +ATOM 2479 O HIS A 332 9.097 16.039 -11.077 1.00 12.49 O +ATOM 2480 CB HIS A 332 11.593 14.142 -12.440 1.00 16.51 C +ATOM 2481 CG HIS A 332 11.850 15.471 -13.087 1.00 16.56 C +ATOM 2482 ND1 HIS A 332 12.833 16.336 -12.656 1.00 18.97 N +ATOM 2483 CD2 HIS A 332 11.280 16.060 -14.166 1.00 16.77 C +ATOM 2484 CE1 HIS A 332 12.862 17.397 -13.445 1.00 17.80 C +ATOM 2485 NE2 HIS A 332 11.930 17.254 -14.369 1.00 15.64 N +ATOM 2486 N HIS A 333 8.582 14.375 -12.496 1.00 13.32 N +ATOM 2487 CA HIS A 333 7.327 14.993 -12.917 1.00 15.75 C +ATOM 2488 C HIS A 333 6.393 15.276 -11.735 1.00 14.26 C +ATOM 2489 O HIS A 333 5.873 16.377 -11.590 1.00 13.18 O +ATOM 2490 CB HIS A 333 6.605 14.088 -13.916 1.00 14.78 C +ATOM 2491 CG HIS A 333 5.139 14.363 -14.021 1.00 17.90 C +ATOM 2492 ND1 HIS A 333 4.637 15.548 -14.513 1.00 19.52 N +ATOM 2493 CD2 HIS A 333 4.065 13.623 -13.652 1.00 19.24 C +ATOM 2494 CE1 HIS A 333 3.317 15.528 -14.442 1.00 20.42 C +ATOM 2495 NE2 HIS A 333 2.945 14.372 -13.921 1.00 18.95 N +ATOM 2496 N LEU A 334 6.180 14.260 -10.906 1.00 15.42 N +ATOM 2497 CA LEU A 334 5.310 14.352 -9.734 1.00 14.68 C +ATOM 2498 C LEU A 334 5.691 15.488 -8.783 1.00 13.91 C +ATOM 2499 O LEU A 334 4.838 16.274 -8.359 1.00 13.59 O +ATOM 2500 CB LEU A 334 5.339 13.015 -8.979 1.00 13.45 C +ATOM 2501 CG LEU A 334 4.187 12.000 -9.086 1.00 18.32 C +ATOM 2502 CD1 LEU A 334 3.376 12.168 -10.354 1.00 15.76 C +ATOM 2503 CD2 LEU A 334 4.773 10.600 -8.994 1.00 13.54 C +ATOM 2504 N ILE A 335 6.973 15.572 -8.443 1.00 14.12 N +ATOM 2505 CA ILE A 335 7.437 16.610 -7.532 1.00 14.08 C +ATOM 2506 C ILE A 335 7.258 18.009 -8.127 1.00 15.39 C +ATOM 2507 O ILE A 335 6.702 18.903 -7.483 1.00 14.20 O +ATOM 2508 CB ILE A 335 8.922 16.379 -7.143 1.00 13.00 C +ATOM 2509 CG1 ILE A 335 9.044 15.073 -6.353 1.00 12.26 C +ATOM 2510 CG2 ILE A 335 9.435 17.532 -6.295 1.00 12.40 C +ATOM 2511 CD1 ILE A 335 8.223 15.057 -5.081 1.00 13.34 C +ATOM 2512 N ARG A 336 7.698 18.198 -9.364 1.00 15.27 N +ATOM 2513 CA ARG A 336 7.563 19.513 -9.979 1.00 18.23 C +ATOM 2514 C ARG A 336 6.103 19.896 -10.182 1.00 18.51 C +ATOM 2515 O ARG A 336 5.760 21.076 -10.167 1.00 20.31 O +ATOM 2516 CB ARG A 336 8.361 19.557 -11.287 1.00 20.71 C +ATOM 2517 CG ARG A 336 9.869 19.474 -11.001 1.00 23.73 C +ATOM 2518 CD ARG A 336 10.752 19.555 -12.233 1.00 25.74 C +ATOM 2519 NE ARG A 336 10.509 20.762 -13.009 1.00 26.13 N +ATOM 2520 CZ ARG A 336 11.452 21.462 -13.632 1.00 23.64 C +ATOM 2521 NH1 ARG A 336 12.724 21.087 -13.572 1.00 22.01 N +ATOM 2522 NH2 ARG A 336 11.114 22.538 -14.322 1.00 20.07 N +ATOM 2523 N ALA A 337 5.239 18.898 -10.337 1.00 18.52 N +ATOM 2524 CA ALA A 337 3.812 19.152 -10.520 1.00 19.13 C +ATOM 2525 C ALA A 337 3.115 19.332 -9.170 1.00 20.78 C +ATOM 2526 O ALA A 337 1.922 19.629 -9.114 1.00 22.69 O +ATOM 2527 CB ALA A 337 3.169 18.001 -11.287 1.00 18.99 C +ATOM 2528 N GLY A 338 3.865 19.139 -8.088 1.00 20.93 N +ATOM 2529 CA GLY A 338 3.311 19.284 -6.752 1.00 17.69 C +ATOM 2530 C GLY A 338 2.296 18.222 -6.354 1.00 17.98 C +ATOM 2531 O GLY A 338 1.451 18.467 -5.490 1.00 18.07 O +ATOM 2532 N GLU A 339 2.379 17.042 -6.962 1.00 16.00 N +ATOM 2533 CA GLU A 339 1.444 15.958 -6.659 1.00 15.38 C +ATOM 2534 C GLU A 339 1.770 15.208 -5.371 1.00 16.09 C +ATOM 2535 O GLU A 339 2.936 14.944 -5.067 1.00 15.78 O +ATOM 2536 CB GLU A 339 1.399 14.968 -7.828 1.00 15.47 C +ATOM 2537 CG GLU A 339 0.691 15.507 -9.051 1.00 16.24 C +ATOM 2538 CD GLU A 339 -0.818 15.522 -8.883 1.00 20.17 C +ATOM 2539 OE1 GLU A 339 -1.491 16.209 -9.677 1.00 20.90 O +ATOM 2540 OE2 GLU A 339 -1.335 14.833 -7.970 1.00 18.12 O +ATOM 2541 N ILE A 340 0.730 14.850 -4.625 1.00 16.78 N +ATOM 2542 CA ILE A 340 0.899 14.123 -3.369 1.00 16.26 C +ATOM 2543 C ILE A 340 1.653 12.821 -3.579 1.00 14.63 C +ATOM 2544 O ILE A 340 2.485 12.457 -2.761 1.00 14.84 O +ATOM 2545 CB ILE A 340 -0.463 13.792 -2.708 1.00 17.92 C +ATOM 2546 CG1 ILE A 340 -1.141 15.078 -2.225 1.00 19.04 C +ATOM 2547 CG2 ILE A 340 -0.264 12.839 -1.535 1.00 19.73 C +ATOM 2548 CD1 ILE A 340 -0.315 15.868 -1.222 1.00 26.15 C +ATOM 2549 N LEU A 341 1.371 12.117 -4.675 1.00 13.39 N +ATOM 2550 CA LEU A 341 2.055 10.853 -4.915 1.00 11.74 C +ATOM 2551 C LEU A 341 3.568 11.044 -4.962 1.00 11.42 C +ATOM 2552 O LEU A 341 4.328 10.138 -4.617 1.00 12.11 O +ATOM 2553 CB LEU A 341 1.568 10.200 -6.212 1.00 10.76 C +ATOM 2554 CG LEU A 341 2.189 8.832 -6.527 1.00 10.35 C +ATOM 2555 CD1 LEU A 341 1.842 7.825 -5.425 1.00 12.08 C +ATOM 2556 CD2 LEU A 341 1.668 8.343 -7.883 1.00 12.56 C +ATOM 2557 N GLY A 342 4.008 12.222 -5.392 1.00 12.08 N +ATOM 2558 CA GLY A 342 5.435 12.481 -5.449 1.00 9.68 C +ATOM 2559 C GLY A 342 6.043 12.406 -4.060 1.00 12.11 C +ATOM 2560 O GLY A 342 7.092 11.787 -3.848 1.00 10.88 O +ATOM 2561 N ALA A 343 5.376 13.044 -3.105 1.00 11.89 N +ATOM 2562 CA ALA A 343 5.844 13.052 -1.724 1.00 13.70 C +ATOM 2563 C ALA A 343 5.775 11.641 -1.135 1.00 13.01 C +ATOM 2564 O ALA A 343 6.642 11.242 -0.365 1.00 13.04 O +ATOM 2565 CB ALA A 343 5.000 14.016 -0.889 1.00 13.76 C +ATOM 2566 N MET A 344 4.743 10.889 -1.499 1.00 13.77 N +ATOM 2567 CA MET A 344 4.590 9.522 -0.999 1.00 12.56 C +ATOM 2568 C MET A 344 5.741 8.638 -1.468 1.00 12.39 C +ATOM 2569 O MET A 344 6.357 7.931 -0.677 1.00 13.46 O +ATOM 2570 CB MET A 344 3.275 8.912 -1.492 1.00 10.71 C +ATOM 2571 CG MET A 344 2.027 9.563 -0.930 1.00 11.24 C +ATOM 2572 SD MET A 344 0.559 9.178 -1.912 1.00 13.00 S +ATOM 2573 CE MET A 344 0.412 7.442 -1.652 1.00 13.01 C +ATOM 2574 N LEU A 345 6.021 8.679 -2.765 1.00 12.91 N +ATOM 2575 CA LEU A 345 7.080 7.860 -3.341 1.00 13.97 C +ATOM 2576 C LEU A 345 8.475 8.268 -2.874 1.00 13.58 C +ATOM 2577 O LEU A 345 9.313 7.413 -2.591 1.00 14.39 O +ATOM 2578 CB LEU A 345 6.987 7.906 -4.873 1.00 15.30 C +ATOM 2579 CG LEU A 345 6.359 6.713 -5.621 1.00 18.80 C +ATOM 2580 CD1 LEU A 345 5.298 6.038 -4.791 1.00 17.56 C +ATOM 2581 CD2 LEU A 345 5.799 7.189 -6.951 1.00 16.90 C +ATOM 2582 N MET A 346 8.728 9.570 -2.800 1.00 12.77 N +ATOM 2583 CA MET A 346 10.034 10.062 -2.357 1.00 14.46 C +ATOM 2584 C MET A 346 10.305 9.687 -0.899 1.00 14.39 C +ATOM 2585 O MET A 346 11.424 9.317 -0.541 1.00 14.18 O +ATOM 2586 CB MET A 346 10.107 11.582 -2.506 1.00 14.24 C +ATOM 2587 CG MET A 346 10.319 12.072 -3.923 1.00 17.25 C +ATOM 2588 SD MET A 346 12.005 11.795 -4.505 1.00 20.65 S +ATOM 2589 CE MET A 346 12.855 13.040 -3.522 1.00 22.19 C +ATOM 2590 N THR A 347 9.272 9.777 -0.066 1.00 15.03 N +ATOM 2591 CA THR A 347 9.398 9.470 1.355 1.00 16.56 C +ATOM 2592 C THR A 347 9.560 7.976 1.613 1.00 16.00 C +ATOM 2593 O THR A 347 10.311 7.579 2.492 1.00 17.01 O +ATOM 2594 CB THR A 347 8.172 9.978 2.145 1.00 18.03 C +ATOM 2595 OG1 THR A 347 8.029 11.387 1.943 1.00 18.07 O +ATOM 2596 CG2 THR A 347 8.347 9.711 3.635 1.00 20.77 C +ATOM 2597 N GLU A 348 8.854 7.145 0.854 1.00 14.00 N +ATOM 2598 CA GLU A 348 8.979 5.714 1.054 1.00 13.31 C +ATOM 2599 C GLU A 348 10.400 5.306 0.697 1.00 13.92 C +ATOM 2600 O GLU A 348 11.050 4.559 1.438 1.00 12.21 O +ATOM 2601 CB GLU A 348 7.993 4.935 0.180 1.00 13.05 C +ATOM 2602 CG GLU A 348 8.080 3.432 0.426 1.00 13.22 C +ATOM 2603 CD GLU A 348 7.047 2.629 -0.331 1.00 12.68 C +ATOM 2604 OE1 GLU A 348 6.102 3.222 -0.895 1.00 13.83 O +ATOM 2605 OE2 GLU A 348 7.177 1.394 -0.346 1.00 15.92 O +ATOM 2606 N HIS A 349 10.886 5.803 -0.437 1.00 11.79 N +ATOM 2607 CA HIS A 349 12.236 5.475 -0.856 1.00 12.16 C +ATOM 2608 C HIS A 349 13.276 5.920 0.173 1.00 12.19 C +ATOM 2609 O HIS A 349 14.115 5.126 0.597 1.00 11.92 O +ATOM 2610 CB HIS A 349 12.580 6.129 -2.196 1.00 12.35 C +ATOM 2611 CG HIS A 349 14.051 6.133 -2.485 1.00 12.64 C +ATOM 2612 ND1 HIS A 349 14.739 4.997 -2.854 1.00 11.28 N +ATOM 2613 CD2 HIS A 349 14.981 7.111 -2.359 1.00 10.99 C +ATOM 2614 CE1 HIS A 349 16.029 5.273 -2.939 1.00 12.45 C +ATOM 2615 NE2 HIS A 349 16.203 6.548 -2.644 1.00 11.28 N +ATOM 2616 N ASN A 350 13.227 7.189 0.571 1.00 12.45 N +ATOM 2617 CA ASN A 350 14.210 7.705 1.525 1.00 12.94 C +ATOM 2618 C ASN A 350 14.218 6.965 2.856 1.00 12.60 C +ATOM 2619 O ASN A 350 15.284 6.738 3.429 1.00 14.77 O +ATOM 2620 CB ASN A 350 14.011 9.210 1.762 1.00 9.99 C +ATOM 2621 CG ASN A 350 14.525 10.055 0.608 1.00 14.75 C +ATOM 2622 OD1 ASN A 350 15.426 9.637 -0.131 1.00 14.96 O +ATOM 2623 ND2 ASN A 350 13.971 11.257 0.456 1.00 12.11 N +ATOM 2624 N ILE A 351 13.045 6.595 3.364 1.00 13.06 N +ATOM 2625 CA ILE A 351 13.004 5.869 4.625 1.00 13.67 C +ATOM 2626 C ILE A 351 13.503 4.445 4.393 1.00 14.37 C +ATOM 2627 O ILE A 351 14.157 3.856 5.256 1.00 14.77 O +ATOM 2628 CB ILE A 351 11.581 5.848 5.227 1.00 15.87 C +ATOM 2629 CG1 ILE A 351 11.215 7.257 5.702 1.00 15.66 C +ATOM 2630 CG2 ILE A 351 11.514 4.856 6.395 1.00 15.54 C +ATOM 2631 CD1 ILE A 351 9.870 7.354 6.382 1.00 17.61 C +ATOM 2632 N ALA A 352 13.202 3.892 3.223 1.00 13.00 N +ATOM 2633 CA ALA A 352 13.664 2.548 2.907 1.00 12.55 C +ATOM 2634 C ALA A 352 15.189 2.592 2.779 1.00 13.34 C +ATOM 2635 O ALA A 352 15.886 1.688 3.243 1.00 13.46 O +ATOM 2636 CB ALA A 352 13.033 2.057 1.602 1.00 12.05 C +ATOM 2637 N PHE A 353 15.704 3.646 2.151 1.00 11.71 N +ATOM 2638 CA PHE A 353 17.143 3.791 1.992 1.00 13.16 C +ATOM 2639 C PHE A 353 17.804 3.823 3.372 1.00 13.98 C +ATOM 2640 O PHE A 353 18.786 3.122 3.615 1.00 15.21 O +ATOM 2641 CB PHE A 353 17.470 5.075 1.235 1.00 13.93 C +ATOM 2642 CG PHE A 353 18.942 5.318 1.067 1.00 16.12 C +ATOM 2643 CD1 PHE A 353 19.643 4.730 0.022 1.00 16.40 C +ATOM 2644 CD2 PHE A 353 19.630 6.121 1.967 1.00 14.26 C +ATOM 2645 CE1 PHE A 353 21.010 4.936 -0.125 1.00 14.68 C +ATOM 2646 CE2 PHE A 353 20.997 6.332 1.829 1.00 17.14 C +ATOM 2647 CZ PHE A 353 21.686 5.737 0.781 1.00 16.18 C +ATOM 2648 N TYR A 354 17.261 4.639 4.270 1.00 14.06 N +ATOM 2649 CA TYR A 354 17.796 4.736 5.628 1.00 16.21 C +ATOM 2650 C TYR A 354 17.818 3.387 6.343 1.00 14.37 C +ATOM 2651 O TYR A 354 18.806 3.038 6.985 1.00 16.11 O +ATOM 2652 CB TYR A 354 16.979 5.720 6.462 1.00 17.40 C +ATOM 2653 CG TYR A 354 17.532 7.125 6.446 1.00 22.76 C +ATOM 2654 CD1 TYR A 354 17.319 7.973 5.361 1.00 26.73 C +ATOM 2655 CD2 TYR A 354 18.277 7.605 7.519 1.00 23.16 C +ATOM 2656 CE1 TYR A 354 17.835 9.269 5.350 1.00 28.55 C +ATOM 2657 CE2 TYR A 354 18.795 8.893 7.516 1.00 25.60 C +ATOM 2658 CZ TYR A 354 18.570 9.720 6.433 1.00 26.06 C +ATOM 2659 OH TYR A 354 19.068 11.000 6.442 1.00 28.31 O +ATOM 2660 N GLN A 355 16.725 2.637 6.237 1.00 13.28 N +ATOM 2661 CA GLN A 355 16.644 1.330 6.877 1.00 14.07 C +ATOM 2662 C GLN A 355 17.654 0.359 6.252 1.00 15.14 C +ATOM 2663 O GLN A 355 18.207 -0.501 6.947 1.00 13.06 O +ATOM 2664 CB GLN A 355 15.226 0.759 6.772 1.00 12.16 C +ATOM 2665 CG GLN A 355 14.155 1.520 7.570 1.00 12.87 C +ATOM 2666 CD GLN A 355 14.516 1.729 9.043 1.00 16.92 C +ATOM 2667 OE1 GLN A 355 15.190 0.901 9.657 1.00 15.72 O +ATOM 2668 NE2 GLN A 355 14.043 2.834 9.620 1.00 16.26 N +ATOM 2669 N GLN A 356 17.889 0.489 4.947 1.00 13.89 N +ATOM 2670 CA GLN A 356 18.861 -0.371 4.276 1.00 16.53 C +ATOM 2671 C GLN A 356 20.255 -0.003 4.785 1.00 16.00 C +ATOM 2672 O GLN A 356 21.126 -0.866 4.940 1.00 16.11 O +ATOM 2673 CB GLN A 356 18.764 -0.206 2.752 1.00 17.23 C +ATOM 2674 CG GLN A 356 17.681 -1.088 2.117 1.00 21.55 C +ATOM 2675 CD GLN A 356 17.283 -0.644 0.716 1.00 22.88 C +ATOM 2676 OE1 GLN A 356 16.570 0.349 0.545 1.00 25.54 O +ATOM 2677 NE2 GLN A 356 17.739 -1.379 -0.292 1.00 20.18 N +ATOM 2678 N LEU A 357 20.457 1.282 5.061 1.00 16.21 N +ATOM 2679 CA LEU A 357 21.732 1.755 5.589 1.00 16.99 C +ATOM 2680 C LEU A 357 21.968 1.117 6.955 1.00 16.27 C +ATOM 2681 O LEU A 357 23.048 0.597 7.225 1.00 15.87 O +ATOM 2682 CB LEU A 357 21.726 3.279 5.745 1.00 13.77 C +ATOM 2683 CG LEU A 357 22.910 3.875 6.515 1.00 14.61 C +ATOM 2684 CD1 LEU A 357 24.226 3.549 5.814 1.00 14.54 C +ATOM 2685 CD2 LEU A 357 22.733 5.381 6.621 1.00 16.10 C +ATOM 2686 N MET A 358 20.950 1.161 7.811 1.00 14.77 N +ATOM 2687 CA MET A 358 21.071 0.596 9.152 1.00 16.41 C +ATOM 2688 C MET A 358 21.331 -0.906 9.095 1.00 16.79 C +ATOM 2689 O MET A 358 22.079 -1.446 9.915 1.00 15.61 O +ATOM 2690 CB MET A 358 19.805 0.866 9.986 1.00 15.44 C +ATOM 2691 CG MET A 358 19.406 2.348 10.126 1.00 12.99 C +ATOM 2692 SD MET A 358 20.774 3.520 10.362 1.00 13.66 S +ATOM 2693 CE MET A 358 21.304 3.107 12.042 1.00 10.31 C +ATOM 2694 N GLN A 359 20.710 -1.578 8.129 1.00 15.91 N +ATOM 2695 CA GLN A 359 20.887 -3.016 7.978 1.00 17.06 C +ATOM 2696 C GLN A 359 22.332 -3.318 7.576 1.00 17.02 C +ATOM 2697 O GLN A 359 22.951 -4.245 8.102 1.00 18.04 O +ATOM 2698 CB GLN A 359 19.916 -3.567 6.926 1.00 16.89 C +ATOM 2699 CG GLN A 359 19.874 -5.089 6.855 1.00 18.26 C +ATOM 2700 CD GLN A 359 19.461 -5.727 8.176 1.00 20.41 C +ATOM 2701 OE1 GLN A 359 20.212 -6.508 8.765 1.00 23.09 O +ATOM 2702 NE2 GLN A 359 18.265 -5.397 8.645 1.00 19.95 N +ATOM 2703 N LYS A 360 22.870 -2.532 6.648 1.00 15.69 N +ATOM 2704 CA LYS A 360 24.245 -2.721 6.201 1.00 16.44 C +ATOM 2705 C LYS A 360 25.217 -2.435 7.348 1.00 17.13 C +ATOM 2706 O LYS A 360 26.294 -3.022 7.422 1.00 16.30 O +ATOM 2707 CB LYS A 360 24.548 -1.807 5.015 1.00 18.29 C +ATOM 2708 CG LYS A 360 23.915 -2.256 3.702 1.00 18.21 C +ATOM 2709 CD LYS A 360 24.156 -1.222 2.610 1.00 22.09 C +ATOM 2710 CE LYS A 360 23.614 -1.667 1.259 1.00 23.63 C +ATOM 2711 NZ LYS A 360 24.441 -2.752 0.659 1.00 28.24 N +ATOM 2712 N ILE A 361 24.833 -1.531 8.241 1.00 15.22 N +ATOM 2713 CA ILE A 361 25.671 -1.214 9.385 1.00 14.49 C +ATOM 2714 C ILE A 361 25.619 -2.373 10.382 1.00 15.30 C +ATOM 2715 O ILE A 361 26.656 -2.805 10.889 1.00 14.12 O +ATOM 2716 CB ILE A 361 25.211 0.090 10.077 1.00 13.96 C +ATOM 2717 CG1 ILE A 361 25.529 1.286 9.172 1.00 12.74 C +ATOM 2718 CG2 ILE A 361 25.907 0.248 11.423 1.00 12.95 C +ATOM 2719 CD1 ILE A 361 25.126 2.640 9.745 1.00 15.50 C +ATOM 2720 N ARG A 362 24.418 -2.883 10.648 1.00 11.91 N +ATOM 2721 CA ARG A 362 24.256 -3.998 11.583 1.00 14.48 C +ATOM 2722 C ARG A 362 24.966 -5.252 11.070 1.00 15.17 C +ATOM 2723 O ARG A 362 25.630 -5.953 11.837 1.00 16.51 O +ATOM 2724 CB ARG A 362 22.769 -4.305 11.815 1.00 12.76 C +ATOM 2725 CG ARG A 362 21.993 -3.172 12.496 1.00 11.56 C +ATOM 2726 CD ARG A 362 20.636 -3.652 12.987 1.00 13.14 C +ATOM 2727 NE ARG A 362 19.686 -3.929 11.910 1.00 14.48 N +ATOM 2728 CZ ARG A 362 18.800 -3.053 11.444 1.00 14.88 C +ATOM 2729 NH1 ARG A 362 18.735 -1.828 11.957 1.00 13.09 N +ATOM 2730 NH2 ARG A 362 17.966 -3.407 10.471 1.00 11.93 N +ATOM 2731 N ASP A 363 24.816 -5.530 9.776 1.00 15.44 N +ATOM 2732 CA ASP A 363 25.453 -6.688 9.160 1.00 15.65 C +ATOM 2733 C ASP A 363 26.972 -6.566 9.178 1.00 16.36 C +ATOM 2734 O ASP A 363 27.660 -7.530 9.494 1.00 15.65 O +ATOM 2735 CB ASP A 363 25.003 -6.866 7.708 1.00 15.69 C +ATOM 2736 CG ASP A 363 23.582 -7.373 7.591 1.00 18.00 C +ATOM 2737 OD1 ASP A 363 23.095 -8.023 8.536 1.00 19.47 O +ATOM 2738 OD2 ASP A 363 22.960 -7.136 6.538 1.00 20.55 O +ATOM 2739 N SER A 364 27.499 -5.393 8.835 1.00 15.05 N +ATOM 2740 CA SER A 364 28.947 -5.218 8.823 1.00 16.20 C +ATOM 2741 C SER A 364 29.561 -5.268 10.233 1.00 17.56 C +ATOM 2742 O SER A 364 30.723 -5.661 10.397 1.00 18.71 O +ATOM 2743 CB SER A 364 29.329 -3.920 8.094 1.00 15.10 C +ATOM 2744 OG SER A 364 28.837 -2.772 8.753 1.00 19.97 O +ATOM 2745 N ILE A 365 28.789 -4.887 11.248 1.00 16.65 N +ATOM 2746 CA ILE A 365 29.278 -4.944 12.628 1.00 17.46 C +ATOM 2747 C ILE A 365 29.310 -6.409 13.068 1.00 18.53 C +ATOM 2748 O ILE A 365 30.290 -6.876 13.649 1.00 18.36 O +ATOM 2749 CB ILE A 365 28.359 -4.213 13.629 1.00 17.46 C +ATOM 2750 CG1 ILE A 365 28.232 -2.733 13.277 1.00 20.99 C +ATOM 2751 CG2 ILE A 365 28.937 -4.349 15.040 1.00 18.71 C +ATOM 2752 CD1 ILE A 365 29.467 -1.952 13.536 1.00 25.91 C +ATOM 2753 N SER A 366 28.219 -7.121 12.807 1.00 17.46 N +ATOM 2754 CA SER A 366 28.125 -8.529 13.173 1.00 19.95 C +ATOM 2755 C SER A 366 29.213 -9.342 12.481 1.00 18.73 C +ATOM 2756 O SER A 366 29.632 -10.379 12.985 1.00 21.46 O +ATOM 2757 CB SER A 366 26.755 -9.093 12.781 1.00 22.16 C +ATOM 2758 OG SER A 366 25.702 -8.381 13.409 1.00 26.72 O +ATOM 2759 N GLU A 367 29.664 -8.871 11.324 1.00 17.58 N +ATOM 2760 CA GLU A 367 30.690 -9.578 10.566 1.00 17.40 C +ATOM 2761 C GLU A 367 32.086 -8.985 10.737 1.00 16.29 C +ATOM 2762 O GLU A 367 33.036 -9.403 10.075 1.00 14.78 O +ATOM 2763 CB GLU A 367 30.302 -9.617 9.086 1.00 15.79 C +ATOM 2764 CG GLU A 367 29.088 -10.504 8.823 1.00 19.15 C +ATOM 2765 CD GLU A 367 28.572 -10.402 7.401 1.00 20.75 C +ATOM 2766 OE1 GLU A 367 29.226 -9.740 6.570 1.00 21.45 O +ATOM 2767 OE2 GLU A 367 27.512 -10.995 7.114 1.00 23.18 O +ATOM 2768 N GLY A 368 32.201 -8.010 11.632 1.00 16.45 N +ATOM 2769 CA GLY A 368 33.491 -7.394 11.895 1.00 18.42 C +ATOM 2770 C GLY A 368 34.152 -6.708 10.717 1.00 18.51 C +ATOM 2771 O GLY A 368 35.372 -6.755 10.571 1.00 19.82 O +ATOM 2772 N ARG A 369 33.355 -6.067 9.870 1.00 19.78 N +ATOM 2773 CA ARG A 369 33.896 -5.360 8.714 1.00 18.62 C +ATOM 2774 C ARG A 369 33.231 -3.996 8.577 1.00 17.25 C +ATOM 2775 O ARG A 369 33.120 -3.448 7.479 1.00 17.27 O +ATOM 2776 CB ARG A 369 33.688 -6.189 7.438 1.00 18.97 C +ATOM 2777 CG ARG A 369 32.243 -6.568 7.168 1.00 19.90 C +ATOM 2778 CD ARG A 369 32.098 -7.371 5.877 1.00 22.91 C +ATOM 2779 NE ARG A 369 30.703 -7.749 5.660 1.00 25.80 N +ATOM 2780 CZ ARG A 369 29.756 -6.909 5.250 1.00 28.33 C +ATOM 2781 NH1 ARG A 369 30.057 -5.639 4.997 1.00 26.41 N +ATOM 2782 NH2 ARG A 369 28.503 -7.329 5.125 1.00 26.69 N +ATOM 2783 N PHE A 370 32.797 -3.443 9.703 1.00 17.90 N +ATOM 2784 CA PHE A 370 32.133 -2.146 9.698 1.00 18.14 C +ATOM 2785 C PHE A 370 33.066 -1.007 9.296 1.00 18.31 C +ATOM 2786 O PHE A 370 32.692 -0.130 8.514 1.00 18.50 O +ATOM 2787 CB PHE A 370 31.541 -1.855 11.071 1.00 18.52 C +ATOM 2788 CG PHE A 370 30.919 -0.496 11.179 1.00 20.16 C +ATOM 2789 CD1 PHE A 370 29.882 -0.123 10.333 1.00 19.42 C +ATOM 2790 CD2 PHE A 370 31.362 0.410 12.134 1.00 21.29 C +ATOM 2791 CE1 PHE A 370 29.299 1.130 10.436 1.00 19.42 C +ATOM 2792 CE2 PHE A 370 30.782 1.666 12.242 1.00 20.63 C +ATOM 2793 CZ PHE A 370 29.751 2.024 11.392 1.00 18.71 C +ATOM 2794 N SER A 371 34.278 -1.014 9.835 1.00 19.67 N +ATOM 2795 CA SER A 371 35.235 0.029 9.507 1.00 20.64 C +ATOM 2796 C SER A 371 35.410 0.077 7.999 1.00 21.24 C +ATOM 2797 O SER A 371 35.421 1.152 7.404 1.00 20.61 O +ATOM 2798 CB SER A 371 36.580 -0.239 10.181 1.00 23.38 C +ATOM 2799 OG SER A 371 37.541 0.711 9.760 1.00 27.53 O +ATOM 2800 N GLN A 372 35.535 -1.093 7.380 1.00 21.78 N +ATOM 2801 CA GLN A 372 35.697 -1.157 5.937 1.00 22.37 C +ATOM 2802 C GLN A 372 34.422 -0.643 5.268 1.00 20.69 C +ATOM 2803 O GLN A 372 34.485 0.135 4.315 1.00 18.76 O +ATOM 2804 CB GLN A 372 35.979 -2.591 5.482 1.00 22.69 C +ATOM 2805 CG GLN A 372 36.204 -2.708 3.979 1.00 27.50 C +ATOM 2806 CD GLN A 372 37.410 -1.910 3.500 1.00 32.26 C +ATOM 2807 OE1 GLN A 372 37.358 -1.241 2.465 1.00 33.21 O +ATOM 2808 NE2 GLN A 372 38.509 -1.987 4.249 1.00 31.17 N +ATOM 2809 N PHE A 373 33.268 -1.078 5.766 1.00 20.31 N +ATOM 2810 CA PHE A 373 32.002 -0.622 5.197 1.00 20.77 C +ATOM 2811 C PHE A 373 31.942 0.903 5.205 1.00 19.66 C +ATOM 2812 O PHE A 373 31.566 1.523 4.210 1.00 18.20 O +ATOM 2813 CB PHE A 373 30.800 -1.154 5.985 1.00 20.49 C +ATOM 2814 CG PHE A 373 29.498 -0.497 5.597 1.00 20.24 C +ATOM 2815 CD1 PHE A 373 28.898 -0.781 4.374 1.00 19.25 C +ATOM 2816 CD2 PHE A 373 28.917 0.466 6.419 1.00 20.33 C +ATOM 2817 CE1 PHE A 373 27.741 -0.110 3.974 1.00 21.78 C +ATOM 2818 CE2 PHE A 373 27.759 1.142 6.028 1.00 21.13 C +ATOM 2819 CZ PHE A 373 27.170 0.856 4.805 1.00 18.56 C +ATOM 2820 N ALA A 374 32.309 1.499 6.337 1.00 20.83 N +ATOM 2821 CA ALA A 374 32.291 2.951 6.479 1.00 21.42 C +ATOM 2822 C ALA A 374 33.179 3.617 5.436 1.00 23.32 C +ATOM 2823 O ALA A 374 32.792 4.620 4.827 1.00 20.80 O +ATOM 2824 CB ALA A 374 32.738 3.349 7.884 1.00 22.90 C +ATOM 2825 N GLN A 375 34.370 3.057 5.233 1.00 23.17 N +ATOM 2826 CA GLN A 375 35.310 3.593 4.256 1.00 24.54 C +ATOM 2827 C GLN A 375 34.712 3.484 2.861 1.00 23.64 C +ATOM 2828 O GLN A 375 34.742 4.440 2.085 1.00 23.18 O +ATOM 2829 CB GLN A 375 36.631 2.823 4.294 1.00 26.69 C +ATOM 2830 CG GLN A 375 37.617 3.262 3.217 1.00 31.91 C +ATOM 2831 CD GLN A 375 38.810 2.330 3.095 1.00 37.26 C +ATOM 2832 OE1 GLN A 375 39.522 2.083 4.072 1.00 38.87 O +ATOM 2833 NE2 GLN A 375 39.036 1.806 1.888 1.00 38.79 N +ATOM 2834 N ASP A 376 34.181 2.307 2.544 1.00 22.39 N +ATOM 2835 CA ASP A 376 33.565 2.081 1.244 1.00 23.65 C +ATOM 2836 C ASP A 376 32.377 3.019 1.058 1.00 23.86 C +ATOM 2837 O ASP A 376 32.210 3.633 0.002 1.00 23.44 O +ATOM 2838 CB ASP A 376 33.095 0.628 1.117 1.00 23.31 C +ATOM 2839 CG ASP A 376 34.237 -0.369 1.222 1.00 25.61 C +ATOM 2840 OD1 ASP A 376 35.391 0.033 0.979 1.00 20.12 O +ATOM 2841 OD2 ASP A 376 33.978 -1.556 1.534 1.00 25.81 O +ATOM 2842 N PHE A 377 31.551 3.131 2.093 1.00 22.82 N +ATOM 2843 CA PHE A 377 30.384 3.999 2.023 1.00 22.45 C +ATOM 2844 C PHE A 377 30.777 5.429 1.674 1.00 22.20 C +ATOM 2845 O PHE A 377 30.237 6.011 0.734 1.00 20.66 O +ATOM 2846 CB PHE A 377 29.624 3.995 3.353 1.00 19.31 C +ATOM 2847 CG PHE A 377 28.566 5.051 3.440 1.00 19.16 C +ATOM 2848 CD1 PHE A 377 27.358 4.904 2.765 1.00 19.81 C +ATOM 2849 CD2 PHE A 377 28.792 6.216 4.171 1.00 20.20 C +ATOM 2850 CE1 PHE A 377 26.385 5.905 2.813 1.00 19.72 C +ATOM 2851 CE2 PHE A 377 27.831 7.222 4.226 1.00 20.36 C +ATOM 2852 CZ PHE A 377 26.621 7.065 3.544 1.00 20.16 C +ATOM 2853 N ARG A 378 31.723 5.988 2.425 1.00 22.39 N +ATOM 2854 CA ARG A 378 32.154 7.359 2.192 1.00 24.39 C +ATOM 2855 C ARG A 378 32.780 7.607 0.828 1.00 24.66 C +ATOM 2856 O ARG A 378 32.496 8.625 0.189 1.00 25.52 O +ATOM 2857 CB ARG A 378 33.122 7.810 3.285 1.00 25.85 C +ATOM 2858 CG ARG A 378 32.520 7.747 4.673 1.00 30.09 C +ATOM 2859 CD ARG A 378 33.237 8.676 5.628 1.00 32.50 C +ATOM 2860 NE ARG A 378 32.720 8.545 6.985 1.00 34.77 N +ATOM 2861 CZ ARG A 378 33.056 7.571 7.823 1.00 35.00 C +ATOM 2862 NH1 ARG A 378 33.916 6.633 7.452 1.00 36.92 N +ATOM 2863 NH2 ARG A 378 32.531 7.537 9.033 1.00 36.39 N +ATOM 2864 N ALA A 379 33.628 6.688 0.381 1.00 23.45 N +ATOM 2865 CA ALA A 379 34.281 6.844 -0.911 1.00 24.81 C +ATOM 2866 C ALA A 379 33.239 7.016 -2.009 1.00 25.56 C +ATOM 2867 O ALA A 379 33.352 7.907 -2.854 1.00 27.07 O +ATOM 2868 CB ALA A 379 35.166 5.630 -1.211 1.00 25.93 C +ATOM 2869 N ARG A 380 32.218 6.168 -1.985 1.00 23.67 N +ATOM 2870 CA ARG A 380 31.175 6.228 -2.992 1.00 24.90 C +ATOM 2871 C ARG A 380 30.171 7.354 -2.759 1.00 24.45 C +ATOM 2872 O ARG A 380 29.819 8.081 -3.687 1.00 25.03 O +ATOM 2873 CB ARG A 380 30.442 4.888 -3.065 1.00 26.61 C +ATOM 2874 CG ARG A 380 30.302 4.377 -4.485 1.00 30.46 C +ATOM 2875 CD ARG A 380 28.855 4.203 -4.910 1.00 30.51 C +ATOM 2876 NE ARG A 380 28.365 2.865 -4.616 1.00 32.39 N +ATOM 2877 CZ ARG A 380 27.243 2.349 -5.107 1.00 30.23 C +ATOM 2878 NH1 ARG A 380 26.474 3.055 -5.925 1.00 28.44 N +ATOM 2879 NH2 ARG A 380 26.897 1.114 -4.783 1.00 31.03 N +ATOM 2880 N TYR A 381 29.724 7.507 -1.519 1.00 23.68 N +ATOM 2881 CA TYR A 381 28.749 8.537 -1.189 1.00 24.91 C +ATOM 2882 C TYR A 381 29.230 9.957 -1.486 1.00 28.19 C +ATOM 2883 O TYR A 381 28.428 10.819 -1.846 1.00 27.39 O +ATOM 2884 CB TYR A 381 28.365 8.447 0.289 1.00 21.86 C +ATOM 2885 CG TYR A 381 27.085 9.174 0.630 1.00 20.69 C +ATOM 2886 CD1 TYR A 381 25.851 8.668 0.230 1.00 21.08 C +ATOM 2887 CD2 TYR A 381 27.103 10.353 1.377 1.00 19.44 C +ATOM 2888 CE1 TYR A 381 24.662 9.311 0.570 1.00 20.47 C +ATOM 2889 CE2 TYR A 381 25.921 11.005 1.721 1.00 18.95 C +ATOM 2890 CZ TYR A 381 24.702 10.475 1.316 1.00 19.30 C +ATOM 2891 OH TYR A 381 23.522 11.087 1.674 1.00 18.51 O +ATOM 2892 N PHE A 382 30.530 10.201 -1.323 1.00 29.43 N +ATOM 2893 CA PHE A 382 31.096 11.529 -1.557 1.00 31.08 C +ATOM 2894 C PHE A 382 32.014 11.601 -2.776 1.00 31.90 C +ATOM 2895 O PHE A 382 31.887 10.815 -3.714 1.00 34.27 O +ATOM 2896 CB PHE A 382 31.869 11.987 -0.321 1.00 31.41 C +ATOM 2897 CG PHE A 382 31.028 12.094 0.916 1.00 33.60 C +ATOM 2898 CD1 PHE A 382 30.024 13.055 1.009 1.00 34.24 C +ATOM 2899 CD2 PHE A 382 31.241 11.238 1.991 1.00 32.63 C +ATOM 2900 CE1 PHE A 382 29.246 13.162 2.153 1.00 33.85 C +ATOM 2901 CE2 PHE A 382 30.470 11.337 3.138 1.00 33.97 C +ATOM 2902 CZ PHE A 382 29.468 12.303 3.219 1.00 35.76 C +TER 2903 PHE A 382 +HETATM 2904 ZN ZN A 400 14.228 2.977 -3.434 1.00 17.69 ZN +HETATM 2920 O HOH A1000 9.321 -0.042 -0.152 1.00 15.55 O +HETATM 2921 O HOH A1001 1.522 4.238 2.267 1.00 8.05 O +HETATM 2922 O HOH A1002 1.233 -1.766 12.941 1.00 17.41 O +HETATM 2923 O HOH A1003 2.483 4.221 29.806 1.00 19.97 O +HETATM 2924 O HOH A1004 4.680 5.532 -0.809 1.00 12.37 O +HETATM 2925 O HOH A1005 13.684 1.263 13.363 1.00 12.19 O +HETATM 2926 O HOH A1006 -0.868 12.472 -6.480 1.00 14.04 O +HETATM 2927 O HOH A1007 7.690 -2.455 26.853 1.00 12.96 O +HETATM 2928 O HOH A1008 15.677 -0.931 13.991 1.00 16.17 O +HETATM 2929 O HOH A1009 -1.733 1.377 0.538 1.00 17.20 O +HETATM 2930 O HOH A1010 36.202 12.965 15.500 1.00 23.09 O +HETATM 2931 O HOH A1011 1.618 7.372 9.285 1.00 17.74 O +HETATM 2932 O HOH A1012 -3.067 2.492 21.534 1.00 16.03 O +HETATM 2933 O HOH A1013 9.475 13.652 -16.531 1.00 13.99 O +HETATM 2934 O HOH A1014 34.661 2.598 16.359 1.00 20.68 O +HETATM 2935 O HOH A1015 -1.285 0.861 7.520 1.00 19.29 O +HETATM 2936 O HOH A1016 0.582 6.541 -10.731 1.00 12.60 O +HETATM 2937 O HOH A1017 27.880 4.764 -0.614 1.00 18.44 O +HETATM 2938 O HOH A1018 23.688 -0.809 18.400 1.00 18.48 O +HETATM 2939 O HOH A1019 7.769 5.325 -14.030 1.00 15.03 O +HETATM 2940 O HOH A1020 28.994 26.034 23.315 1.00 26.29 O +HETATM 2941 O HOH A1021 6.741 -1.967 24.171 1.00 16.67 O +HETATM 2942 O HOH A1022 -0.726 3.774 22.562 1.00 19.91 O +HETATM 2943 O HOH A1023 28.174 25.108 38.091 1.00 21.74 O +HETATM 2944 O HOH A1024 -2.939 5.672 26.233 1.00 23.50 O +HETATM 2945 O HOH A1025 16.832 13.217 -18.404 1.00 24.39 O +HETATM 2946 O HOH A1026 4.987 -0.215 -0.271 1.00 18.88 O +HETATM 2947 O HOH A1027 12.404 4.947 -8.106 1.00 14.15 O +HETATM 2948 O HOH A1028 16.021 16.108 31.993 1.00 20.01 O +HETATM 2949 O HOH A1029 17.024 -0.262 -7.489 1.00 18.79 O +HETATM 2950 O HOH A1030 2.628 6.049 0.663 1.00 14.49 O +HETATM 2951 O HOH A1031 13.585 23.633 -15.424 1.00 23.50 O +HETATM 2952 O HOH A1032 29.537 4.094 26.724 1.00 22.06 O +HETATM 2953 O HOH A1033 16.703 0.634 11.773 1.00 15.94 O +HETATM 2954 O HOH A1034 24.005 13.379 3.170 1.00 26.65 O +HETATM 2955 O HOH A1035 11.793 10.323 8.429 1.00 28.72 O +HETATM 2956 O HOH A1036 13.637 20.977 39.612 1.00 26.08 O +HETATM 2957 O HOH A1037 4.145 -4.112 6.479 1.00 22.03 O +HETATM 2958 O HOH A1038 21.611 15.633 20.043 1.00 23.88 O +HETATM 2959 O HOH A1039 10.487 0.744 35.153 1.00 20.57 O +HETATM 2960 O HOH A1040 4.870 16.740 -4.018 1.00 21.43 O +HETATM 2961 O HOH A1041 2.967 0.030 1.392 1.00 23.90 O +HETATM 2962 O HOH A1042 3.640 12.623 35.563 1.00 20.67 O +HETATM 2963 O HOH A1043 12.631 1.853 34.230 1.00 19.76 O +HETATM 2964 O HOH A1044 9.329 -7.582 16.970 1.00 26.56 O +HETATM 2965 O HOH A1045 4.473 -0.291 26.447 1.00 23.46 O +HETATM 2966 O HOH A1046 17.856 14.309 31.039 1.00 24.27 O +HETATM 2967 O HOH A1047 11.798 2.745 -15.831 1.00 20.36 O +HETATM 2968 O HOH A1048 4.463 5.737 28.769 1.00 19.20 O +HETATM 2969 O HOH A1049 3.592 -3.315 12.652 1.00 30.87 O +HETATM 2970 O HOH A1051 37.492 7.648 23.545 1.00 40.72 O +HETATM 2971 O HOH A1052 20.078 -6.524 15.375 1.00 28.00 O +HETATM 2972 O HOH A1053 31.559 12.093 -5.931 1.00 31.34 O +HETATM 2973 O HOH A1055 32.810 7.825 21.187 1.00 19.84 O +HETATM 2974 O HOH A1056 31.151 1.938 22.594 1.00 22.21 O +HETATM 2975 O HOH A1057 -2.842 17.850 25.433 1.00 25.48 O +HETATM 2976 O HOH A1058 22.332 25.062 38.959 1.00 29.23 O +HETATM 2977 O HOH A1059 17.085 6.537 -18.896 1.00 27.64 O +HETATM 2978 O HOH A1060 10.474 -4.247 34.233 1.00 24.13 O +HETATM 2979 O HOH A1061 23.434 2.676 -6.355 1.00 26.36 O +HETATM 2980 O HOH A1062 36.422 -3.628 9.030 1.00 38.14 O +HETATM 2981 O HOH A1063 8.639 14.418 39.714 1.00 22.56 O +HETATM 2982 O HOH A1064 26.412 17.440 10.957 1.00 34.38 O +HETATM 2983 O HOH A1065 32.079 -2.614 2.494 1.00 24.48 O +HETATM 2984 O HOH A1066 33.872 9.028 11.078 1.00 32.38 O +HETATM 2985 O HOH A1067 27.114 1.713 17.963 1.00 19.01 O +HETATM 2986 O HOH A1068 19.924 -6.705 11.398 1.00 17.33 O +HETATM 2987 O HOH A1069 -2.007 5.312 28.665 1.00 31.20 O +HETATM 2988 O HOH A1070 32.349 20.331 10.471 1.00 31.44 O +HETATM 2989 O HOH A1071 -1.891 15.542 -5.455 1.00 23.21 O +HETATM 2990 O HOH A1072 -4.173 -0.010 3.946 1.00 20.93 O +HETATM 2991 O HOH A1073 -5.626 4.843 26.288 1.00 24.85 O +HETATM 2992 O HOH A1074 22.927 -1.913 -1.880 1.00 35.49 O +HETATM 2993 O HOH A1075 25.789 24.058 22.887 1.00 27.00 O +HETATM 2994 O HOH A1076 6.922 12.708 9.304 1.00 32.27 O +HETATM 2995 O HOH A1077 19.424 4.254 -10.553 1.00 23.21 O +HETATM 2996 O HOH A1078 36.495 6.316 2.403 1.00 26.97 O +HETATM 2997 O HOH A1079 23.245 -4.918 27.988 1.00 28.84 O +HETATM 2998 O HOH A1080 9.399 -3.677 16.364 1.00 18.62 O +HETATM 2999 O HOH A1081 17.508 -7.669 23.708 1.00 20.96 O +HETATM 3000 O HOH A1082 17.449 -8.215 10.596 1.00 32.72 O +HETATM 3001 O HOH A1083 15.275 17.146 41.025 1.00 28.68 O +HETATM 3002 O HOH A1084 12.170 -6.600 12.474 1.00 29.07 O +HETATM 3003 O HOH A1085 20.664 16.617 -8.228 1.00 31.46 O +HETATM 3004 O HOH A1086 24.352 22.105 28.729 1.00 24.83 O +HETATM 3005 O HOH A1088 2.420 5.281 43.188 1.00 47.15 O +HETATM 3006 O HOH A1089 6.367 -7.117 10.066 1.00 30.86 O +HETATM 3007 O HOH A1090 36.070 7.891 18.870 1.00 26.47 O +HETATM 3008 O HOH A1091 22.373 2.600 33.781 1.00 26.41 O +HETATM 3009 O HOH A1092 -0.584 3.141 36.888 1.00 31.30 O +HETATM 3010 O HOH A1093 22.738 -7.615 11.601 1.00 40.31 O +HETATM 3011 O HOH A1094 21.706 4.609 -8.718 1.00 31.61 O +HETATM 3012 O HOH A1095 6.312 18.828 -4.894 1.00 33.07 O +HETATM 3013 O HOH A1099 32.988 23.933 31.026 1.00 31.19 O +HETATM 3014 O HOH A1100 33.941 0.832 14.637 1.00 22.96 O +HETATM 3015 O HOH A1101 -7.147 16.500 24.860 1.00 29.38 O +HETATM 3016 O HOH A1104 19.675 1.918 34.640 1.00 36.88 O +HETATM 3017 O HOH A1105 -0.859 18.548 -10.806 1.00 27.96 O +HETATM 3018 O HOH A1106 24.032 20.632 25.623 1.00 24.09 O +HETATM 3019 O HOH A1107 37.272 14.839 21.425 1.00 26.07 O +HETATM 3020 O HOH A1108 -10.260 2.661 20.762 1.00 32.72 O +HETATM 3021 O HOH A1109 24.911 -9.800 15.419 1.00 29.12 O +HETATM 3022 O HOH A1110 28.961 7.848 35.920 1.00 48.49 O +HETATM 3023 O HOH A1111 31.572 -9.209 18.441 1.00 32.53 O +HETATM 3024 O HOH A1112 35.093 -3.080 21.087 1.00 32.74 O +HETATM 3025 O HOH A1113 29.860 7.656 -6.379 1.00 38.68 O +HETATM 3026 O HOH A1114 -2.197 -0.215 16.541 1.00 22.68 O +HETATM 3027 O HOH A1115 17.138 -1.081 32.165 1.00 38.66 O +HETATM 3028 O HOH A1117 -1.306 -2.087 13.157 1.00 47.74 O +HETATM 3029 O HOH A1118 36.544 12.134 29.133 1.00 28.99 O +HETATM 3030 O HOH A1119 16.018 -3.881 7.326 1.00 25.56 O +HETATM 3031 O HOH A1121 19.882 11.744 -15.300 1.00 28.43 O +HETATM 3032 O HOH A1122 7.851 -4.663 34.091 1.00 30.43 O +HETATM 3033 O HOH A1123 32.453 -4.204 4.921 1.00 36.61 O +HETATM 3034 O HOH A1124 0.000 20.717 29.307 1.00 32.54 O +HETATM 3035 O HOH A1126 29.980 1.493 31.207 1.00 35.02 O +HETATM 3036 O HOH A1127 25.716 -10.104 4.774 1.00 34.92 O +HETATM 3037 O HOH A1129 36.204 11.432 11.805 1.00 37.61 O +HETATM 3038 O HOH A1130 2.647 -3.909 -4.024 1.00 55.03 O +HETATM 3039 O HOH A1131 9.944 -5.077 7.696 1.00 32.07 O +HETATM 3040 O HOH A1134 16.033 2.325 34.444 1.00 34.66 O +HETATM 3041 O HOH A1135 27.466 13.364 -1.503 1.00 37.24 O +HETATM 3042 O HOH A1136 6.987 17.183 -15.654 1.00 37.20 O +HETATM 3043 O HOH A1137 27.397 7.915 38.742 1.00 29.15 O +HETATM 3044 O HOH A1139 19.976 -7.278 28.585 1.00 39.02 O +HETATM 3045 O HOH A1141 31.151 31.163 30.756 1.00 38.52 O +HETATM 3046 O HOH A1144 21.902 18.928 38.760 1.00 36.46 O +HETATM 3047 O HOH A1146 1.050 -6.348 13.049 1.00 43.59 O +HETATM 3048 O HOH A1147 32.381 11.627 7.923 1.00 41.34 O +HETATM 3049 O HOH A1148 4.682 19.862 38.109 1.00 32.55 O +HETATM 3050 O HOH A1150 22.101 8.624 -14.450 1.00 45.12 O +HETATM 3051 O HOH A1151 -2.568 16.296 35.758 1.00 52.32 O +HETATM 3052 O HOH A1155 20.786 -8.972 20.331 1.00 31.38 O +HETATM 3053 O HOH A1159 20.415 -0.849 -1.344 1.00 38.50 O +HETATM 3054 O HOH A1160 3.643 12.546 16.723 1.00 28.27 O +HETATM 3055 O HOH A1161 0.970 -3.159 39.849 1.00 45.85 O +HETATM 3056 O HOH A1162 35.743 8.894 -3.516 1.00 43.60 O +HETATM 3057 O HOH A1168 8.123 35.610 36.827 1.00 50.10 O +HETATM 3058 O HOH A1169 -4.911 14.191 32.288 1.00 33.34 O +HETATM 3059 O HOH A1200 8.777 16.156 -17.097 1.00 17.79 O +HETATM 3060 O HOH A1201 32.547 9.799 -5.698 1.00 34.06 O +HETATM 3061 O HOH A1202 0.907 -0.945 10.591 1.00 31.94 O +HETATM 3062 O HOH A1203 16.310 -2.810 5.004 1.00 26.69 O +HETATM 3063 O HOH A1204 2.448 -2.038 26.230 1.00 35.50 O +HETATM 3064 O HOH A1205 -2.061 3.243 25.115 1.00 23.04 O +HETATM 3065 O HOH A1206 28.541 1.811 -0.489 1.00 29.93 O +HETATM 3066 O HOH A1207 -1.826 -1.270 18.909 1.00 33.68 O +HETATM 3067 O HOH A1208 13.740 15.970 43.073 1.00 33.50 O +HETATM 3068 O HOH A1209 6.177 13.143 40.211 1.00 21.24 O +HETATM 3069 O HOH A1210 28.446 33.589 30.364 1.00 36.10 O +HETATM 3070 O HOH A1211 15.907 -1.682 9.524 1.00 24.77 O +HETATM 3071 O HOH A1213 23.309 -10.882 13.015 1.00 30.45 O +HETATM 3072 O HOH A1214 20.855 -10.102 17.921 1.00 28.89 O +HETATM 3073 O HOH A1215 31.730 -1.721 20.974 1.00 33.31 O +HETATM 3074 O HOH A1216 36.656 7.150 4.832 1.00 32.68 O +HETATM 3075 O HOH A1217 -2.421 -0.298 21.465 1.00 31.59 O +HETATM 3076 O HOH A1218 19.744 1.895 -11.981 1.00 31.69 O +HETATM 3077 O HOH A1219 13.372 19.495 12.345 1.00 40.96 O +HETATM 3078 O HOH A1220 20.812 25.647 36.965 1.00 25.17 O +HETATM 3079 O HOH A1221 36.129 20.314 29.847 1.00 40.42 O +HETATM 3080 O HOH A1222 16.747 -3.511 31.779 1.00 34.18 O +HETATM 3081 O HOH A1223 12.247 1.386 -11.740 1.00 34.21 O +HETATM 3082 O HOH A1224 13.782 -2.040 -5.916 1.00 35.74 O +HETATM 3083 O HOH A1225 8.422 -2.885 0.164 1.00 30.62 O +HETATM 3084 O HOH A1226 10.817 1.956 37.782 1.00 24.26 O +HETATM 3085 O HOH A1227 38.105 16.425 15.576 1.00 45.72 O +HETATM 3086 O HOH A1228 21.911 12.380 40.184 1.00 33.18 O +HETATM 3087 O HOH A1229 34.231 -5.842 3.557 1.00 27.17 O +HETATM 3088 O HOH A1230 36.361 20.087 15.625 1.00 36.42 O +HETATM 3089 O HOH A1231 17.109 -4.182 -6.466 1.00 43.56 O +HETATM 3090 O HOH A1232 25.147 26.722 38.427 1.00 30.69 O +HETATM 3091 O HOH A1233 3.504 9.989 38.558 1.00 27.22 O +HETATM 3092 O HOH A1234 32.433 21.648 13.212 1.00 39.34 O +HETATM 3093 O HOH A1236 9.078 16.652 13.678 1.00 30.66 O +HETATM 3094 O HOH A1237 25.993 -13.191 18.174 1.00 37.42 O +HETATM 3095 O HOH A1238 12.046 14.403 41.675 1.00 38.76 O +HETATM 3096 O HOH A1239 -1.822 5.225 35.087 1.00 39.10 O +HETATM 3097 O HOH A1240 27.344 14.567 38.228 1.00 33.91 O +HETATM 3098 O HOH A1241 9.019 5.161 43.530 1.00 43.13 O +HETATM 3099 O HOH A1242 13.897 4.109 39.107 1.00 37.79 O +HETATM 3100 O HOH A1243 29.125 19.783 8.869 1.00 31.17 O +HETATM 3101 O HOH A1244 2.521 -3.887 8.861 1.00 42.65 O +HETATM 3102 O HOH A1245 16.733 3.968 38.331 1.00 33.45 O +HETATM 3103 O HOH A1246 24.798 -6.568 26.449 1.00 44.98 O +HETATM 3104 O HOH A1248 -1.655 20.912 27.324 1.00 37.73 O +HETATM 3105 O HOH A1249 4.217 22.890 -8.514 1.00 37.66 O +HETATM 3106 O HOH A1250 18.524 -5.017 -2.129 1.00 50.28 O +HETATM 3107 O HOH A1251 25.159 12.316 -6.145 1.00 42.24 O +HETATM 3108 O HOH A1252 10.430 18.444 -16.651 1.00 27.93 O +HETATM 3109 O HOH A1253 6.755 -4.462 -3.930 1.00 41.99 O +HETATM 3110 O HOH A1256 27.708 -0.331 31.661 1.00 33.00 O +HETATM 3111 O HOH A1257 3.625 -6.293 15.729 1.00 37.11 O +HETATM 3112 O HOH A1258 22.910 3.248 -12.527 1.00 36.54 O +HETATM 3113 O HOH A1259 -8.195 10.993 28.848 1.00 44.13 O +HETATM 3114 O HOH A1261 32.524 18.386 38.455 1.00 49.71 O +HETATM 3115 O HOH A1262 22.195 -5.112 2.736 1.00 35.07 O +HETATM 3116 O HOH A1264 25.267 -12.496 8.394 1.00 60.38 O +HETATM 3117 O HOH A1267 -3.502 4.845 33.107 1.00 36.99 O +HETATM 3118 O HOH A1268 26.014 14.950 0.866 1.00 39.82 O +HETATM 3119 O HOH A1269 39.919 -2.105 11.520 1.00 53.95 O +HETATM 3120 O HOH A1273 -1.966 -0.146 10.103 1.00 39.21 O +HETATM 3121 O HOH A1274 33.996 0.305 23.158 1.00 44.70 O +HETATM 3122 O HOH A1275 35.448 21.461 24.416 1.00 39.97 O +HETATM 3123 O HOH A1276 14.950 8.463 -21.801 1.00 38.83 O +HETATM 3124 O HOH A1277 19.828 -1.728 34.889 1.00 40.99 O +HETATM 3125 O HOH A1278 37.609 4.668 18.709 1.00 47.48 O +HETATM 3126 O HOH A1279 13.784 -5.183 1.902 1.00 42.83 O +HETATM 3127 O HOH A1300 25.889 12.455 4.965 1.00 18.45 O +HETATM 3128 O HOH A1301 27.119 -0.328 -0.085 1.00 34.09 O +HETATM 3129 O HOH A1303 7.840 17.439 20.938 1.00 22.48 O +HETATM 3130 O HOH A1305 31.535 4.955 23.230 1.00 36.09 O +HETATM 3131 O HOH A1306 22.497 -6.982 14.417 1.00 31.25 O +HETATM 3132 O HOH A1308 4.543 -2.311 -2.167 1.00 39.44 O +HETATM 3133 O HOH A1309 2.756 2.543 27.593 1.00 42.04 O +HETATM 3134 O HOH A1310 16.555 -10.327 26.509 1.00 50.32 O +HETATM 3135 O HOH A1311 12.982 22.243 -3.598 1.00 38.98 O +HETATM 3136 O HOH A1312 4.772 -4.119 1.512 1.00 29.25 O +HETATM 3137 O HOH A1316 15.210 -1.323 -9.140 1.00 34.57 O +HETATM 3138 O HOH A1317 1.031 9.586 39.074 1.00 35.31 O +HETATM 3139 O HOH A1319 35.058 22.037 13.394 1.00 43.47 O +HETATM 3140 O HOH A1320 29.867 -10.755 20.134 1.00 39.99 O +HETATM 3141 O HOH A1321 18.520 10.054 -18.780 1.00 45.04 O +HETATM 3142 O HOH A1322 11.886 6.969 41.560 1.00 30.48 O +HETATM 3143 O HOH A1323 28.051 6.558 33.132 1.00 41.92 O +HETATM 3144 O HOH A1325 11.102 14.349 -25.385 1.00 29.80 O +HETATM 3145 O HOH A1326 14.649 -0.935 3.411 1.00 31.71 O +HETATM 3146 O HOH A1327 27.667 0.955 33.929 1.00 43.72 O +HETATM 3147 O HOH A1328 22.519 -10.364 21.817 1.00 39.16 O +HETATM 3148 O HOH A1329 18.406 -8.588 15.365 1.00 41.13 O +HETATM 3149 O HOH A1330 27.263 -6.205 27.570 1.00 38.20 O +HETATM 3150 O HOH A1332 12.527 19.887 -17.613 1.00 52.06 O +HETATM 3151 O HOH A1333 13.824 15.097 13.926 1.00 41.50 O +HETATM 3152 O HOH A1334 16.954 15.293 -20.773 1.00 48.59 O +HETATM 3153 O HOH A1336 25.037 30.506 33.921 1.00 41.40 O +HETATM 3154 O HOH A1339 33.351 2.628 -2.182 1.00 34.42 O +HETATM 3155 O HOH A1340 19.814 7.768 -18.260 1.00 44.54 O +HETATM 3156 O HOH A1341 8.340 23.224 -11.395 1.00 35.63 O +HETATM 3157 O HOH A1343 1.763 -4.780 24.681 1.00 43.99 O +HETATM 3158 O HOH A1344 2.703 -2.434 2.680 1.00 51.11 O +HETATM 3159 O HOH A1346 29.723 16.616 0.195 1.00 33.47 O +HETATM 3160 O HOH A1347 36.043 12.749 31.903 1.00 38.47 O +HETATM 3161 O HOH A1348 21.502 15.105 3.137 1.00 53.37 O +HETATM 3162 O HOH A1351 35.334 10.292 27.815 1.00 35.57 O +HETATM 3163 O HOH A1354 35.945 15.503 14.276 1.00 40.90 O +HETATM 3164 O HOH A1358 4.816 14.461 42.604 1.00 50.19 O +HETATM 3165 O HOH A1359 40.481 14.459 29.013 1.00 55.57 O +HETATM 3166 O HOH A1360 33.287 -0.413 25.663 1.00 49.92 O +HETATM 3167 O HOH A1362 33.336 10.221 37.290 1.00 58.02 O +HETATM 3168 O HOH A1364 18.129 -4.383 3.633 1.00 43.78 O +HETATM 3169 O HOH A1365 1.143 18.585 35.910 1.00 32.53 O +HETATM 3170 O HOH A1374 7.032 22.624 -13.579 1.00 56.35 O +HETATM 3171 O HOH A1376 21.220 -5.202 30.249 1.00 59.34 O +HETATM 3172 O HOH A1377 26.496 4.876 38.851 1.00 40.62 O +HETATM 3173 O HOH A1400 19.715 18.802 19.939 1.00 34.18 O +HETATM 3174 O HOH A1401 12.818 15.752 19.171 1.00 41.87 O +HETATM 3175 O HOH A1402 14.839 14.036 18.435 1.00 31.20 O +HETATM 3176 O HOH A1403 12.834 14.653 24.686 1.00 38.35 O +HETATM 3177 O HOH A1404 11.155 17.746 22.938 1.00 24.69 O +HETATM 3178 O HOH A1405 12.127 16.079 16.701 1.00 41.76 O +HETATM 3179 O HOH A1500 9.930 20.957 -4.818 1.00 39.17 O +HETATM 3180 O HOH A1501 -8.281 4.491 18.296 1.00 32.01 O +HETATM 3181 O HOH A1502 20.194 21.390 29.658 1.00 38.20 O +HETATM 3182 O HOH A1503 34.681 8.351 29.478 1.00 38.84 O +HETATM 3183 O HOH A1504 17.854 -9.630 8.443 1.00 46.93 O +HETATM 3184 O HOH A1505 14.372 0.727 35.945 1.00 33.80 O +HETATM 3185 O HOH A1506 30.211 -8.708 22.010 1.00 35.78 O +HETATM 3186 O HOH A1507 -3.191 24.726 28.755 1.00 51.56 O +HETATM 3187 O HOH A1508 23.436 -12.641 20.878 1.00 46.25 O +HETATM 3188 O HOH A1509 23.191 3.590 36.316 1.00 36.10 O +HETATM 3189 O HOH A1511 8.692 8.107 42.504 1.00 33.50 O +HETATM 3190 O HOH A1512 2.017 21.499 34.078 1.00 49.77 O +HETATM 3191 O HOH A1513 27.178 -4.258 5.223 1.00 32.32 O +HETATM 3192 O HOH A1514 6.064 28.184 15.338 1.00 42.88 O +HETATM 3193 O HOH A1516 33.757 3.553 -4.967 1.00 47.63 O +HETATM 3194 O HOH A1517 24.915 4.564 -9.803 1.00 41.80 O +HETATM 3195 O HOH A1518 16.421 -1.663 34.927 1.00 42.84 O +HETATM 3196 O HOH A1519 -12.120 1.460 19.135 1.00 44.79 O +HETATM 3197 O HOH A1520 35.720 -3.354 0.524 1.00 47.21 O +HETATM 3198 O HOH A1521 1.657 -7.407 17.749 1.00 47.33 O +HETATM 3199 O HOH A1522 30.429 14.120 38.314 1.00 42.34 O +HETATM 3200 O HOH A1525 30.246 14.537 5.225 1.00 42.14 O +HETATM 3201 O HOH A1526 14.377 24.575 -2.027 1.00 36.91 O +CONECT 2367 2904 +CONECT 2383 2904 +CONECT 2401 2904 +CONECT 2612 2904 +CONECT 2904 2367 2383 2401 2612 +CONECT 2905 2906 2918 +CONECT 2906 2905 2907 2911 +CONECT 2907 2906 2908 +CONECT 2908 2907 2909 +CONECT 2909 2908 2910 +CONECT 2910 2909 +CONECT 2911 2906 2912 +CONECT 2912 2911 2913 2918 +CONECT 2913 2912 2914 2919 +CONECT 2914 2913 2915 +CONECT 2915 2914 2916 +CONECT 2916 2915 2917 2918 +CONECT 2917 2916 +CONECT 2918 2905 2912 2916 +CONECT 2919 2913 +MASTER 318 0 2 18 17 0 5 6 3200 1 20 30 +END
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/ligand.mol Thu Apr 16 08:25:46 2020 -0400 @@ -0,0 +1,37 @@ +ligand.pdb + OpenBabel03242012003D + + 15 16 0 0 1 0 0 0 0 0999 V2000 + 15.4350 16.8530 20.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 + 16.5900 17.0760 19.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.7440 17.0260 18.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.6650 17.7690 17.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.3420 18.3730 16.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3430 19.1170 15.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.4900 17.3220 20.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 + 17.0380 17.3010 21.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7020 17.5270 23.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8750 17.4100 24.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4120 17.0790 24.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.7400 16.8560 23.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5080 16.5760 23.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.6460 16.9830 21.8390 C 0 0 1 0 0 0 0 0 0 0 0 0 + 18.9000 17.7960 23.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 2 0 0 0 0 + 2 7 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 5 4 1 0 0 0 0 + 6 5 1 0 0 0 0 + 7 8 2 0 0 0 0 + 8 9 1 0 0 0 0 + 9 15 2 0 0 0 0 + 9 10 1 0 0 0 0 + 11 10 2 0 0 0 0 + 12 11 1 0 0 0 0 + 13 12 2 0 0 0 0 + 14 1 1 6 0 0 0 + 14 8 1 0 0 0 0 + 14 12 1 0 0 0 0 +M END +$$$$
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/ligand.pdb Thu Apr 16 08:25:46 2020 -0400 @@ -0,0 +1,28 @@ +COMPND ligand.pdb +HETATM 1 N1 UNL 1 15.435 16.853 20.409 1.00 0.00 N +HETATM 2 C1 UNL 1 16.590 17.076 19.806 1.00 0.00 C +HETATM 3 C2 UNL 1 16.744 17.026 18.284 1.00 0.00 C +HETATM 4 C3 UNL 1 15.665 17.769 17.432 1.00 0.00 C +HETATM 5 C4 UNL 1 16.342 18.373 16.158 1.00 0.00 C +HETATM 6 C5 UNL 1 15.343 19.117 15.238 1.00 0.00 C +HETATM 7 N2 UNL 1 17.490 17.322 20.605 1.00 0.00 N +HETATM 8 C6 UNL 1 17.038 17.301 21.958 1.00 0.00 C +HETATM 9 C7 UNL 1 17.702 17.527 23.277 1.00 0.00 C +HETATM 10 N3 UNL 1 16.875 17.410 24.401 1.00 0.00 N +HETATM 11 N4 UNL 1 15.412 17.079 24.315 1.00 0.00 N +HETATM 12 C8 UNL 1 14.740 16.856 23.098 1.00 0.00 C +HETATM 13 O1 UNL 1 13.508 16.576 23.010 1.00 0.00 O +HETATM 14 C9 UNL 1 15.646 16.983 21.839 1.00 0.00 C +HETATM 15 O2 UNL 1 18.900 17.796 23.331 1.00 0.00 O +CONECT 1 2 2 14 +CONECT 2 3 7 +CONECT 3 4 +CONECT 4 5 +CONECT 5 6 +CONECT 7 8 8 +CONECT 8 9 14 +CONECT 9 10 15 15 +CONECT 10 11 11 +CONECT 11 12 +CONECT 12 13 13 14 +END
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/ligand_wqb.mol Thu Apr 16 08:25:46 2020 -0400 @@ -0,0 +1,39 @@ +ligand.pdb + OpenBabel03242012003D + + 15 16 0 0 1 0 0 0 0 0999 V2000 + 15.4350 16.8530 20.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 + 16.5900 17.0760 19.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.7440 17.0260 18.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.6650 17.7690 17.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.3420 18.3730 16.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3430 19.1170 15.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.4900 17.3220 20.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 + 17.0380 17.3010 21.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7020 17.5270 23.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8750 17.4100 24.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4120 17.0790 24.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.7400 16.8560 23.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5080 16.5760 23.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.6460 16.9830 21.8390 C 0 0 1 0 0 0 0 0 0 0 0 0 + 18.9000 17.7960 23.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 2 0 0 0 0 + 2 7 1 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 1 0 0 0 0 + 5 4 1 0 0 0 0 + 6 5 1 0 0 0 0 + 7 8 2 0 0 0 0 + 8 9 1 0 0 0 0 + 9 15 2 0 0 0 0 + 9 10 1 0 0 0 0 + 11 10 2 0 0 0 0 + 12 11 1 0 0 0 0 + 13 12 2 0 0 0 0 + 14 1 1 6 0 0 0 + 14 8 1 0 0 0 0 + 14 12 1 0 0 0 0 +M END +> <SCORE.DUCK_WQB> +-0.015815293149895382 +$$$$
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/protein_out_prot.pdb Thu Apr 16 08:25:46 2020 -0400 @@ -0,0 +1,142 @@ +ATOM 1 HH31 ACE 1 11.587 15.836 30.944 1.00 0.00 +ATOM 2 CH3 ACE 1 11.982 16.349 30.067 1.00 0.00 +ATOM 3 HH32 ACE 1 11.223 17.020 29.665 1.00 0.00 +ATOM 4 HH33 ACE 1 12.255 15.615 29.309 1.00 0.00 +ATOM 5 C ACE 1 13.223 17.171 30.422 1.00 0.00 +ATOM 6 O ACE 1 13.659 17.198 31.578 1.00 0.00 +ATOM 7 N ASP 2 13.794 17.834 29.424 1.00 0.00 +ATOM 8 H ASP 2 13.416 17.784 28.489 1.00 0.00 +ATOM 9 CA ASP 2 15.000 18.614 29.639 1.00 0.00 +ATOM 10 HA ASP 2 15.137 18.814 30.702 1.00 0.00 +ATOM 11 CB ASP 2 16.212 17.830 29.129 1.00 0.00 +ATOM 12 HB2 ASP 2 17.106 18.364 29.452 1.00 0.00 +ATOM 13 HB3 ASP 2 16.196 16.840 29.585 1.00 0.00 +ATOM 14 CG ASP 2 16.225 17.690 27.612 1.00 0.00 +ATOM 15 OD1 ASP 2 15.147 17.775 26.988 1.00 0.00 +ATOM 16 OD2 ASP 2 17.317 17.483 27.041 1.00 0.00 +ATOM 17 C ASP 2 14.957 19.967 28.957 1.00 0.00 +ATOM 18 O ASP 2 13.940 20.366 28.393 1.00 0.00 +ATOM 19 N GLU 3 16.091 20.657 29.008 1.00 0.00 +ATOM 20 H GLU 3 16.880 20.249 29.489 1.00 0.00 +ATOM 21 CA GLU 3 16.253 21.976 28.408 1.00 0.00 +ATOM 22 HA GLU 3 15.350 22.269 27.872 1.00 0.00 +ATOM 23 CB GLU 3 16.513 22.995 29.523 1.00 0.00 +ATOM 24 HB2 GLU 3 15.593 23.045 30.105 1.00 0.00 +ATOM 25 HB3 GLU 3 17.308 22.572 30.137 1.00 0.00 +ATOM 26 CG GLU 3 16.905 24.389 29.079 1.00 0.00 +ATOM 27 HG2 GLU 3 17.834 24.333 28.512 1.00 0.00 +ATOM 28 HG3 GLU 3 16.110 24.767 28.436 1.00 0.00 +ATOM 29 CD GLU 3 17.089 25.326 30.261 1.00 0.00 +ATOM 30 OE1 GLU 3 16.075 25.734 30.868 1.00 0.00 +ATOM 31 OE2 GLU 3 18.252 25.643 30.595 1.00 0.00 +ATOM 32 C GLU 3 17.442 21.903 27.445 1.00 0.00 +ATOM 33 O GLU 3 18.591 21.823 27.880 1.00 0.00 +ATOM 34 N CYS 4 17.163 21.906 26.143 1.00 0.00 +ATOM 35 H CYS 4 16.202 21.930 25.832 1.00 0.00 +ATOM 36 CA CYS 4 18.219 21.828 25.130 1.00 0.00 +ATOM 37 HA CYS 4 18.903 21.014 25.369 1.00 0.00 +ATOM 38 CB CYS 4 17.611 21.567 23.745 1.00 0.00 +ATOM 39 HB2 CYS 4 16.992 20.670 23.774 1.00 0.00 +ATOM 40 HB3 CYS 4 17.003 22.418 23.440 1.00 0.00 +ATOM 41 SG CYS 4 18.818 21.304 22.408 1.00 0.00 +ATOM 42 HG CYS 4 17.920 21.125 21.443 1.00 0.00 +ATOM 43 C CYS 4 19.046 23.114 25.104 1.00 0.00 +ATOM 44 O CYS 4 18.541 24.186 24.766 1.00 0.00 +ATOM 45 N NME 5 20.321 22.991 25.461 1.00 0.00 +ATOM 46 H NME 5 20.676 22.079 25.708 1.00 0.00 +ATOM 47 CH3 NME 5 21.237 24.128 25.511 1.00 0.00 +ATOM 48 HH31 NME 5 20.708 25.035 25.219 1.00 0.00 +ATOM 49 HH32 NME 5 21.620 24.242 26.525 1.00 0.00 +ATOM 50 HH33 NME 5 22.068 23.956 24.827 1.00 0.00 +TER +ATOM 51 HH31 ACE 6 18.315 22.273 36.560 1.00 0.00 +ATOM 52 CH3 ACE 6 18.810 22.050 35.615 1.00 0.00 +ATOM 53 HH32 ACE 6 19.868 21.859 35.795 1.00 0.00 +ATOM 54 HH33 ACE 6 18.705 22.899 34.940 1.00 0.00 +ATOM 55 C ACE 6 18.198 20.820 34.951 1.00 0.00 +ATOM 56 O ACE 6 17.267 20.217 35.484 1.00 0.00 +ATOM 57 N SER 7 18.724 20.448 33.789 1.00 0.00 +ATOM 58 H SER 7 19.475 20.970 33.360 1.00 0.00 +ATOM 59 CA SER 7 18.207 19.284 33.090 1.00 0.00 +ATOM 60 HA SER 7 17.142 19.417 32.898 1.00 0.00 +ATOM 61 CB SER 7 18.924 19.084 31.753 1.00 0.00 +ATOM 62 HB2 SER 7 19.997 19.197 31.907 1.00 0.00 +ATOM 63 HB3 SER 7 18.714 18.079 31.386 1.00 0.00 +ATOM 64 OG SER 7 18.480 20.037 30.800 1.00 0.00 +ATOM 65 HG SER 7 18.940 19.897 29.969 1.00 0.00 +ATOM 66 C SER 7 18.403 18.074 33.978 1.00 0.00 +ATOM 67 O SER 7 17.544 17.195 34.039 1.00 0.00 +ATOM 68 N NME 8 19.532 18.030 34.678 1.00 0.00 +ATOM 69 H NME 8 20.226 18.761 34.612 1.00 0.00 +ATOM 70 CH3 NME 8 19.793 16.911 35.566 1.00 0.00 +ATOM 71 HH31 NME 8 18.957 16.213 35.527 1.00 0.00 +ATOM 72 HH32 NME 8 20.705 16.403 35.253 1.00 0.00 +ATOM 73 HH33 NME 8 19.913 17.276 36.586 1.00 0.00 +TER +ATOM 74 HH31 ACE 9 17.696 9.121 30.186 1.00 0.00 +ATOM 75 CH3 ACE 9 17.754 10.199 30.338 1.00 0.00 +ATOM 76 HH32 ACE 9 18.263 10.407 31.279 1.00 0.00 +ATOM 77 HH33 ACE 9 16.748 10.616 30.370 1.00 0.00 +ATOM 78 C ACE 9 18.520 10.868 29.215 1.00 0.00 +ATOM 79 O ACE 9 18.974 10.180 28.300 1.00 0.00 +ATOM 80 N ILE 10 18.672 12.189 29.259 1.00 0.00 +ATOM 81 H ILE 10 18.286 12.738 30.014 1.00 0.00 +ATOM 82 CA ILE 10 19.397 12.884 28.198 1.00 0.00 +ATOM 83 HA ILE 10 19.802 12.158 27.493 1.00 0.00 +ATOM 84 CB ILE 10 18.502 13.881 27.448 1.00 0.00 +ATOM 85 HB ILE 10 18.234 14.703 28.112 1.00 0.00 +ATOM 86 CG2 ILE 10 19.259 14.430 26.238 1.00 0.00 +ATOM 87 HG21 ILE 10 19.527 13.609 25.573 1.00 0.00 +ATOM 88 HG22 ILE 10 18.626 15.138 25.703 1.00 0.00 +ATOM 89 HG23 ILE 10 20.165 14.935 26.574 1.00 0.00 +ATOM 90 CG1 ILE 10 17.202 13.204 27.007 1.00 0.00 +ATOM 91 HG12 ILE 10 17.460 12.463 26.251 1.00 0.00 +ATOM 92 HG13 ILE 10 16.783 12.702 27.879 1.00 0.00 +ATOM 93 CD1 ILE 10 16.171 14.176 26.436 1.00 0.00 +ATOM 94 HD11 ILE 10 16.589 14.678 25.564 1.00 0.00 +ATOM 95 HD12 ILE 10 15.276 13.627 26.144 1.00 0.00 +ATOM 96 HD13 ILE 10 15.912 14.917 27.192 1.00 0.00 +ATOM 97 C ILE 10 20.594 13.670 28.712 1.00 0.00 +ATOM 98 O ILE 10 20.457 14.541 29.570 1.00 0.00 +ATOM 99 N GLN 11 21.766 13.368 28.167 1.00 0.00 +ATOM 100 H GLN 11 21.824 12.637 27.472 1.00 0.00 +ATOM 101 CA GLN 11 22.991 14.052 28.552 1.00 0.00 +ATOM 102 HA GLN 11 23.008 14.204 29.631 1.00 0.00 +ATOM 103 CB GLN 11 24.213 13.215 28.156 1.00 0.00 +ATOM 104 HB2 GLN 11 24.076 12.227 28.595 1.00 0.00 +ATOM 105 HB3 GLN 11 24.202 13.133 27.069 1.00 0.00 +ATOM 106 CG GLN 11 25.553 13.793 28.610 1.00 0.00 +ATOM 107 HG2 GLN 11 25.527 14.871 28.448 1.00 0.00 +ATOM 108 HG3 GLN 11 25.700 13.589 29.671 1.00 0.00 +ATOM 109 CD GLN 11 26.728 13.213 27.835 1.00 0.00 +ATOM 110 OE1 GLN 11 27.828 13.057 28.372 1.00 0.00 +ATOM 111 NE2 GLN 11 26.504 12.911 26.559 1.00 0.00 +ATOM 112 HE21 GLN 11 27.248 12.523 25.997 1.00 0.00 +ATOM 113 HE22 GLN 11 25.591 13.071 26.158 1.00 0.00 +ATOM 114 C GLN 11 23.088 15.417 27.878 1.00 0.00 +ATOM 115 O GLN 11 22.808 15.560 26.684 1.00 0.00 +ATOM 116 N GLN 12 23.479 16.422 28.657 1.00 0.00 +ATOM 117 H GLN 12 23.652 16.258 29.639 1.00 0.00 +ATOM 118 CA GLN 12 23.661 17.774 28.139 1.00 0.00 +ATOM 119 HA GLN 12 23.498 17.777 27.061 1.00 0.00 +ATOM 120 CB GLN 12 22.670 18.747 28.787 1.00 0.00 +ATOM 121 HB2 GLN 12 22.750 18.609 29.865 1.00 0.00 +ATOM 122 HB3 GLN 12 22.997 19.753 28.525 1.00 0.00 +ATOM 123 CG GLN 12 21.219 18.556 28.356 1.00 0.00 +ATOM 124 HG2 GLN 12 20.902 17.561 28.669 1.00 0.00 +ATOM 125 HG3 GLN 12 20.598 19.306 28.846 1.00 0.00 +ATOM 126 CD GLN 12 21.030 18.675 26.854 1.00 0.00 +ATOM 127 OE1 GLN 12 21.644 19.520 26.207 1.00 0.00 +ATOM 128 NE2 GLN 12 20.164 17.835 26.295 1.00 0.00 +ATOM 129 HE21 GLN 12 20.001 17.872 25.299 1.00 0.00 +ATOM 130 HE22 GLN 12 19.674 17.164 26.869 1.00 0.00 +ATOM 131 C GLN 12 25.094 18.187 28.458 1.00 0.00 +ATOM 132 O GLN 12 25.929 17.340 28.772 1.00 0.00 +ATOM 133 N NME 13 25.380 19.482 28.377 1.00 0.00 +ATOM 134 H NME 13 24.681 20.161 28.114 1.00 0.00 +ATOM 135 CH3 NME 13 26.721 19.953 28.669 1.00 0.00 +ATOM 136 HH31 NME 13 27.354 19.107 28.935 1.00 0.00 +ATOM 137 HH32 NME 13 27.131 20.451 27.790 1.00 0.00 +ATOM 138 HH33 NME 13 26.687 20.656 29.501 1.00 0.00 +TER +END