annotate test-data/str2.pdb @ 0:acce5039ece7 draft

planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/mdfileconverter commit 8aeaf3f199cccb1bbb26a29628e7bb75abaf189d

TITLE     VILLIN
REMARK    THIS IS A SIMULATION BOX
CRYST1   32.155   32.155   56.863  90.00  90.00 120.00 P 1           1
MODEL        1
ATOM      1  N   LEU    42      -7.400   9.810   7.910  1.00  0.00            
ATOM      2  CA  LEU    42      -6.430   9.300   6.990  1.00  0.00            
ATOM      3  C   LEU    42      -5.000   9.530   7.460  1.00  0.00            
ATOM      4  O   LEU    42      -4.810  10.440   8.270  1.00  0.00            
ATOM      5  CB  LEU    42      -6.590  10.070   5.640  1.00  0.00            
ATOM      6  CG  LEU    42      -7.880   9.860   4.870  1.00  0.00            
ATOM      7  CD1 LEU    42      -7.950  10.790   3.650  1.00  0.00            
ATOM      8  CD2 LEU    42      -7.970   8.420   4.420  1.00  0.00            
ATOM      9  H1  LEU    42      -8.220   9.660   7.600  1.00  0.00            
ATOM     10  H2  LEU    42      -7.270  10.690   8.020  1.00  0.00            
ATOM     11  H3  LEU    42      -7.300   9.400   8.700  1.00  0.00            
ATOM     12  HA  LEU    42      -6.580   8.340   6.850  1.00  0.00            
ATOM     13  HB2 LEU    42      -6.500  11.010   5.820  1.00  0.00            
ATOM     14  HB3 LEU    42      -5.860   9.810   5.060  1.00  0.00            
ATOM     15  HG  LEU    42      -8.640  10.060   5.460  1.00  0.00            
ATOM     16 1HD1 LEU    42      -7.900  11.700   3.940  1.00  0.00            
ATOM     17 2HD1 LEU    42      -8.780  10.650   3.190  1.00  0.00            
ATOM     18 3HD1 LEU    42      -7.220  10.600   3.060  1.00  0.00            
ATOM     19 1HD2 LEU    42      -8.790   8.280   3.940  1.00  0.00            
ATOM     20 2HD2 LEU    42      -7.950   7.840   5.190  1.00  0.00            
ATOM     21 3HD2 LEU    42      -7.230   8.220   3.850  1.00  0.00            
ATOM     22  N   SER    43      -4.030   8.810   6.990  1.00  0.00            
ATOM     23  CA  SER    43      -2.630   9.120   7.220  1.00  0.00            
ATOM     24  C   SER    43      -2.330  10.450   6.540  1.00  0.00            
ATOM     25  O   SER    43      -3.050  10.930   5.650  1.00  0.00            
ATOM     26  CB  SER    43      -1.730   8.020   6.640  1.00  0.00            
ATOM     27  OG  SER    43      -1.810   8.070   5.250  1.00  0.00            
ATOM     28  H   SER    43      -4.230   8.120   6.520  1.00  0.00            
ATOM     29  HA  SER    43      -2.470   9.200   8.180  1.00  0.00            
ATOM     30  HB2 SER    43      -0.810   8.160   6.930  1.00  0.00            
ATOM     31  HB3 SER    43      -2.020   7.150   6.960  1.00  0.00            
ATOM     32  HG  SER    43      -1.330   7.490   4.930  1.00  0.00            
ATOM     33  N   ASP    44      -1.210  11.030   6.950  1.00  0.00            
ATOM     34  CA  ASP    44      -0.810  12.310   6.400  1.00  0.00            
ATOM     35  C   ASP    44      -0.480  12.120   4.920  1.00  0.00            
ATOM     36  O   ASP    44      -0.730  12.990   4.100  1.00  0.00            
ATOM     37  CB  ASP    44       0.290  13.000   7.190  1.00  0.00            
ATOM     38  CG  ASP    44      -0.160  13.580   8.530  1.00  0.00            
ATOM     39  OD1 ASP    44      -1.380  13.540   8.740  1.00  0.00            
ATOM     40  OD2 ASP    44       0.740  14.010   9.280  1.00  0.00            
ATOM     41  H   ASP    44      -0.720  10.640   7.540  1.00  0.00            
ATOM     42  HA  ASP    44      -1.600  12.900   6.440  1.00  0.00            
ATOM     43  HB2 ASP    44       1.000  12.360   7.360  1.00  0.00            
ATOM     44  HB3 ASP    44       0.660  13.720   6.650  1.00  0.00            
ATOM     45  N   GLU    45       0.100  10.940   4.610  1.00  0.00            
ATOM     46  CA  GLU    45       0.380  10.650   3.220  1.00  0.00            
ATOM     47  C   GLU    45      -0.890  10.540   2.380  1.00  0.00            
ATOM     48  O   GLU    45      -0.970  11.060   1.260  1.00  0.00            
ATOM     49  CB  GLU    45       1.250   9.380   3.100  1.00  0.00            
ATOM     50  CB  GLU    45       1.180   9.320   3.160  1.00  0.00            
ATOM     51  CG  GLU    45       2.730   9.690   3.270  1.00  0.00            
ATOM     52  CG  GLU    45       2.480   9.340   3.890  1.00  0.00            
ATOM     53  CD  GLU    45       3.280  10.600   2.200  1.00  0.00            
ATOM     54  CD  GLU    45       2.600   9.190   5.370  1.00  0.00            
ATOM     55  OE1 GLU    45       3.360  10.200   1.010  1.00  0.00            
ATOM     56  OE1 GLU    45       3.810   9.110   5.770  1.00  0.00            
ATOM     57  OE2 GLU    45       3.670  11.750   2.510  1.00  0.00            
ATOM     58  OE2 GLU    45       1.630   9.150   6.150  1.00  0.00            
ATOM     59  H   GLU    45       0.300  10.380   5.220  1.00  0.00            
ATOM     60  HA  GLU    45       0.900  11.400   2.860  1.00  0.00            
ATOM     61  HB2 GLU    45       0.980   8.740   3.770  1.00  0.00            
ATOM     62  HB2 GLU    45       0.630   8.610   3.540  1.00  0.00            
ATOM     63  HB3 GLU    45       1.110   8.970   2.230  1.00  0.00            
ATOM     64  HB3 GLU    45       1.340   9.090   2.230  1.00  0.00            
ATOM     65  HG2 GLU    45       2.870  10.100   4.140  1.00  0.00            
ATOM     66  HG2 GLU    45       3.020   8.630   3.490  1.00  0.00            
ATOM     67  HG3 GLU    45       3.230   8.860   3.260  1.00  0.00            
ATOM     68  HG3 GLU    45       2.910  10.180   3.660  1.00  0.00            
ATOM     69  N   ASP    46      -1.900   9.800   2.870  1.00  0.00            
ATOM     70  CA  ASP    46      -3.140   9.710   2.170  1.00  0.00            
ATOM     71  C   ASP    46      -3.810  11.070   2.040  1.00  0.00            
ATOM     72  O   ASP    46      -4.430  11.340   1.010  1.00  0.00            
ATOM     73  CB  ASP    46      -4.090   8.710   2.780  1.00  0.00            
ATOM     74  CG  ASP    46      -3.760   7.250   2.650  1.00  0.00            
ATOM     75  OD1 ASP    46      -2.760   6.960   1.950  1.00  0.00            
ATOM     76  OD2 ASP    46      -4.460   6.360   3.210  1.00  0.00            
ATOM     77  H   ASP    46      -1.800   9.380   3.620  1.00  0.00            
ATOM     78  HA  ASP    46      -2.940   9.400   1.260  1.00  0.00            
ATOM     79  HB2 ASP    46      -4.160   8.910   3.730  1.00  0.00            
ATOM     80  HB3 ASP    46      -4.970   8.850   2.400  1.00  0.00            
ATOM     81  N   PHE    47      -3.780  11.870   3.070  1.00  0.00            
ATOM     82  CA  PHE    47      -4.400  13.190   2.990  1.00  0.00            
ATOM     83  C   PHE    47      -3.820  14.000   1.860  1.00  0.00            
ATOM     84  O   PHE    47      -4.520  14.630   1.080  1.00  0.00            
ATOM     85  CB  PHE    47      -4.190  13.910   4.360  1.00  0.00            
ATOM     86  CG  PHE    47      -4.890  15.270   4.430  1.00  0.00            
ATOM     87  CD1 PHE    47      -4.380  16.380   3.840  1.00  0.00            
ATOM     88  CD2 PHE    47      -6.100  15.350   5.090  1.00  0.00            
ATOM     89  CE1 PHE    47      -5.010  17.580   3.860  1.00  0.00            
ATOM     90  CE2 PHE    47      -6.760  16.540   5.120  1.00  0.00            
ATOM     91  CZ  PHE    47      -6.240  17.650   4.500  1.00  0.00            
ATOM     92  H   PHE    47      -3.390  11.630   3.800  1.00  0.00            
ATOM     93  HA  PHE    47      -5.370  13.080   2.830  1.00  0.00            
ATOM     94  HB2 PHE    47      -4.530  13.340   5.060  1.00  0.00            
ATOM     95  HB3 PHE    47      -3.240  14.030   4.510  1.00  0.00            
ATOM     96  HD1 PHE    47      -3.560  16.310   3.420  1.00  0.00            
ATOM     97  HD2 PHE    47      -6.460  14.610   5.510  1.00  0.00            
ATOM     98  HE1 PHE    47      -4.630  18.330   3.450  1.00  0.00            
ATOM     99  HE2 PHE    47      -7.570  16.600   5.570  1.00  0.00            
ATOM    100  HZ  PHE    47      -6.720  18.450   4.500  1.00  0.00            
ATOM    101  N   LYS    48      -2.440  14.020   1.810  1.00  0.00            
ATOM    102  CA  LYS    48      -1.810  14.770   0.750  1.00  0.00            
ATOM    103  C   LYS    48      -2.190  14.230  -0.640  1.00  0.00            
ATOM    104  O   LYS    48      -2.340  15.010  -1.560  1.00  0.00            
ATOM    105  CB  LYS    48      -0.290  14.740   0.910  1.00  0.00            
ATOM    106  CG  LYS    48       0.500  15.490  -0.160  1.00  0.00            
ATOM    107  CD  LYS    48       2.000  15.460   0.010  1.00  0.00            
ATOM    108  CE  LYS    48       2.640  15.550  -1.370  1.00  0.00            
ATOM    109  NZ  LYS    48       4.120  15.430  -1.320  1.00  0.00            
ATOM    110  H   LYS    48      -1.970  13.600   2.390  1.00  0.00            
ATOM    111  HA  LYS    48      -2.110  15.700   0.820  1.00  0.00            
ATOM    112  HB2 LYS    48      -0.070  15.120   1.770  1.00  0.00            
ATOM    113  HB3 LYS    48      -0.000  13.820   0.910  1.00  0.00            
ATOM    114  HG2 LYS    48       0.290  15.100  -1.030  1.00  0.00            
ATOM    115  HG3 LYS    48       0.210  16.410  -0.180  1.00  0.00            
ATOM    116  HD2 LYS    48       2.290  16.210   0.560  1.00  0.00            
ATOM    117  HD3 LYS    48       2.270  14.640   0.450  1.00  0.00            
ATOM    118  HE2 LYS    48       2.290  14.840  -1.930  1.00  0.00            
ATOM    119  HE3 LYS    48       2.400  16.390  -1.780  1.00  0.00            
ATOM    120  HZ1 LYS    48       4.450  15.450  -2.150  1.00  0.00            
ATOM    121  HZ2 LYS    48       4.350  14.670  -0.930  1.00  0.00            
ATOM    122  HZ3 LYS    48       4.460  16.120  -0.860  1.00  0.00            
ATOM    123  N   ALA    49      -2.300  12.930  -0.780  1.00  0.00            
ATOM    124  CA  ALA    49      -2.710  12.340  -2.050  1.00  0.00            
ATOM    125  C   ALA    49      -4.120  12.790  -2.420  1.00  0.00            
ATOM    126  O   ALA    49      -4.400  13.170  -3.570  1.00  0.00            
ATOM    127  CB  ALA    49      -2.640  10.830  -1.970  1.00  0.00            
ATOM    128  H   ALA    49      -2.130  12.420  -0.120  1.00  0.00            
ATOM    129  HA  ALA    49      -2.090  12.650  -2.750  1.00  0.00            
ATOM    130  HB1 ALA    49      -1.750  10.560  -1.740  1.00  0.00            
ATOM    131  HB2 ALA    49      -2.890  10.460  -2.810  1.00  0.00            
ATOM    132  HB3 ALA    49      -3.250  10.520  -1.290  1.00  0.00            
ATOM    133  N   VAL    50      -5.040  12.700  -1.460  1.00  0.00            
ATOM    134  CA  VAL    50      -6.460  13.030  -1.750  1.00  0.00            
ATOM    135  C   VAL    50      -6.650  14.520  -2.040  1.00  0.00            
ATOM    136  O   VAL    50      -7.310  14.910  -3.030  1.00  0.00            
ATOM    137  CB  VAL    50      -7.370  12.560  -0.620  1.00  0.00            
ATOM    138  CG1 VAL    50      -8.790  13.090  -0.800  1.00  0.00            
ATOM    139  CG2 VAL    50      -7.410  11.010  -0.550  1.00  0.00            
ATOM    140  H   VAL    50      -4.810  12.450  -0.660  1.00  0.00            
ATOM    141  HA  VAL    50      -6.720  12.540  -2.560  1.00  0.00            
ATOM    142  HB  VAL    50      -7.020  12.890   0.230  1.00  0.00            
ATOM    143 1HG1 VAL    50      -9.340  12.790  -0.070  1.00  0.00            
ATOM    144 2HG1 VAL    50      -9.150  12.780  -1.630  1.00  0.00            
ATOM    145 3HG1 VAL    50      -8.770  14.050  -0.800  1.00  0.00            
ATOM    146 1HG2 VAL    50      -6.510  10.680  -0.440  1.00  0.00            
ATOM    147 2HG2 VAL    50      -7.780  10.660  -1.370  1.00  0.00            
ATOM    148 3HG2 VAL    50      -7.950  10.740   0.190  1.00  0.00            
ATOM    149  N   PHE    51      -6.050  15.380  -1.220  1.00  0.00            
ATOM    150  CA  PHE    51      -6.350  16.810  -1.320  1.00  0.00            
ATOM    151  C   PHE    51      -5.280  17.630  -2.050  1.00  0.00            
ATOM    152  O   PHE    51      -5.520  18.830  -2.260  1.00  0.00            
ATOM    153  CB  PHE    51      -6.540  17.400   0.140  1.00  0.00            
ATOM    154  CG  PHE    51      -7.800  16.780   0.760  1.00  0.00            
ATOM    155  CD1 PHE    51      -9.030  17.180   0.300  1.00  0.00            
ATOM    156  CD2 PHE    51      -7.750  15.830   1.740  1.00  0.00            
ATOM    157  CE1 PHE    51     -10.200  16.640   0.790  1.00  0.00            
ATOM    158  CE2 PHE    51      -8.920  15.250   2.280  1.00  0.00            
ATOM    159  CZ  PHE    51     -10.150  15.670   1.810  1.00  0.00            
ATOM    160  H   PHE    51      -5.490  15.100  -0.640  1.00  0.00            
ATOM    161  HA  PHE    51      -7.190  16.910  -1.800  1.00  0.00            
ATOM    162  HB2 PHE    51      -5.760  17.190   0.680  1.00  0.00            
ATOM    163  HB3 PHE    51      -6.630  18.360   0.090  1.00  0.00            
ATOM    164  HD1 PHE    51      -9.080  17.840  -0.360  1.00  0.00            
ATOM    165  HD2 PHE    51      -6.930  15.560   2.070  1.00  0.00            
ATOM    166  HE1 PHE    51     -11.020  16.920   0.450  1.00  0.00            
ATOM    167  HE2 PHE    51      -8.860  14.590   2.930  1.00  0.00            
ATOM    168  HZ  PHE    51     -10.940  15.330   2.160  1.00  0.00            
ATOM    169  N   GLY    52      -4.160  17.020  -2.400  1.00  0.00            
ATOM    170  CA  GLY    52      -3.150  17.730  -3.160  1.00  0.00            
ATOM    171  C   GLY    52      -2.340  18.750  -2.440  1.00  0.00            
ATOM    172  O   GLY    52      -1.710  19.620  -3.070  1.00  0.00            
ATOM    173  H   GLY    52      -4.030  16.200  -2.180  1.00  0.00            
ATOM    174  HA2 GLY    52      -2.550  17.080  -3.540  1.00  0.00            
ATOM    175  HA3 GLY    52      -3.590  18.180  -3.900  1.00  0.00            
ATOM    176  N   MET    53      -2.320  18.670  -1.100  1.00  0.00            
ATOM    177  CA  MET    53      -1.540  19.560  -0.260  1.00  0.00            
ATOM    178  C   MET    53      -1.480  18.930   1.120  1.00  0.00            
ATOM    179  O   MET    53      -2.280  18.010   1.410  1.00  0.00            
ATOM    180  CB  MET    53      -2.110  20.970  -0.230  1.00  0.00            
ATOM    181  CG  MET    53      -3.420  21.070   0.540  1.00  0.00            
ATOM    182  SD  MET    53      -4.170  22.710   0.460  1.00  0.00            
ATOM    183  CE  MET    53      -4.810  22.710  -1.190  1.00  0.00            
ATOM    184  H   MET    53      -2.800  18.060  -0.720  1.00  0.00            
ATOM    185  HA  MET    53      -0.630  19.600  -0.620  1.00  0.00            
ATOM    186  HB2 MET    53      -1.460  21.570   0.170  1.00  0.00            
ATOM    187  HB3 MET    53      -2.260  21.270  -1.140  1.00  0.00            
ATOM    188  HG2 MET    53      -4.040  20.420   0.180  1.00  0.00            
ATOM    189  HG3 MET    53      -3.250  20.840   1.470  1.00  0.00            
ATOM    190  HE1 MET    53      -5.240  23.540  -1.370  1.00  0.00            
ATOM    191  HE2 MET    53      -5.440  21.990  -1.290  1.00  0.00            
ATOM    192  HE3 MET    53      -4.090  22.580  -1.810  1.00  0.00            
ATOM    193  N   THR    54      -0.580  19.400   1.950  1.00  0.00            
ATOM    194  CA  THR    54      -0.520  18.890   3.300  1.00  0.00            
ATOM    195  C   THR    54      -1.710  19.350   4.170  1.00  0.00            
ATOM    196  O   THR    54      -2.380  20.350   3.860  1.00  0.00            
ATOM    197  CB  THR    54       0.790  19.270   4.010  1.00  0.00            
ATOM    198  OG1 THR    54       0.810  20.710   4.040  1.00  0.00            
ATOM    199  CG2 THR    54       2.070  18.800   3.290  1.00  0.00            
ATOM    200  H   THR    54      -0.040  20.010   1.690  1.00  0.00            
ATOM    201  HA  THR    54      -0.550  17.910   3.250  1.00  0.00            
ATOM    202  HB  THR    54       0.790  18.930   4.920  1.00  0.00            
ATOM    203  HG1 THR    54       1.490  20.960   4.420  1.00  0.00            
ATOM    204 1HG2 THR    54       2.840  19.070   3.790  1.00  0.00            
ATOM    205 2HG2 THR    54       2.100  19.190   2.410  1.00  0.00            
ATOM    206 3HG2 THR    54       2.050  17.840   3.210  1.00  0.00            
ATOM    207  N   ARG    55      -1.890  18.680   5.280  1.00  0.00            
ATOM    208  CA  ARG    55      -2.840  19.160   6.290  1.00  0.00            
ATOM    209  C   ARG    55      -2.560  20.590   6.730  1.00  0.00            
ATOM    210  O   ARG    55      -3.490  21.360   6.900  1.00  0.00            
ATOM    211  CB  ARG    55      -2.780  18.310   7.530  1.00  0.00            
ATOM    212  CG  ARG    55      -3.220  16.900   7.410  1.00  0.00            
ATOM    213  CD  ARG    55      -3.400  16.380   8.870  1.00  0.00            
ATOM    214  NE  ARG    55      -3.610  14.950   8.600  1.00  0.00            
ATOM    215  CZ  ARG    55      -4.840  14.470   8.470  1.00  0.00            
ATOM    216  NH1 ARG    55      -5.930  15.220   8.610  1.00  0.00            
ATOM    217  NH2 ARG    55      -4.930  13.190   8.190  1.00  0.00            
ATOM    218  H   ARG    55      -1.460  17.960   5.410  1.00  0.00            
ATOM    219  HA  ARG    55      -3.740  19.110   5.920  1.00  0.00            
ATOM    220  HB2 ARG    55      -1.870  18.310   7.860  1.00  0.00            
ATOM    221  HB3 ARG    55      -3.330  18.730   8.220  1.00  0.00            
ATOM    222  HG2 ARG    55      -4.060  16.840   6.930  1.00  0.00            
ATOM    223  HG3 ARG    55      -2.550  16.370   6.950  1.00  0.00            
ATOM    224  HD2 ARG    55      -2.610  16.530   9.410  1.00  0.00            
ATOM    225  HD3 ARG    55      -4.180  16.780   9.300  1.00  0.00            
ATOM    226  HE  ARG    55      -2.930  14.430   8.520  1.00  0.00            
ATOM    227 1HH1 ARG    55      -6.710  14.880   8.510  1.00  0.00            
ATOM    228 2HH1 ARG    55      -5.860  16.060   8.790  1.00  0.00            
ATOM    229 1HH2 ARG    55      -5.700  12.820   8.090  1.00  0.00            
ATOM    230 2HH2 ARG    55      -4.210  12.720   8.110  1.00  0.00            
ATOM    231  N   SER    56      -1.280  20.890   6.920  1.00  0.00            
ATOM    232  CA  SER    56      -0.950  22.230   7.340  1.00  0.00            
ATOM    233  C   SER    56      -1.420  23.250   6.310  1.00  0.00            
ATOM    234  O   SER    56      -1.890  24.320   6.670  1.00  0.00            
ATOM    235  CB  SER    56       0.570  22.310   7.530  1.00  0.00            
ATOM    236  CB  SER    56       0.560  22.370   7.580  1.00  0.00            
ATOM    237  OG  SER    56       0.810  23.600   8.050  1.00  0.00            
ATOM    238  OG  SER    56       1.330  22.440   6.400  1.00  0.00            
ATOM    239  H   SER    56      -0.670  20.300   6.800  1.00  0.00            
ATOM    240  HA  SER    56      -1.390  22.410   8.200  1.00  0.00            
ATOM    241  HB2 SER    56       0.880  21.630   8.150  1.00  0.00            
ATOM    242  HB2 SER    56       0.720  23.170   8.110  1.00  0.00            
ATOM    243  HB3 SER    56       1.030  22.190   6.690  1.00  0.00            
ATOM    244  HB3 SER    56       0.860  21.610   8.100  1.00  0.00            
ATOM    245  HG  SER    56       0.570  24.160   7.500  1.00  0.00            
ATOM    246  HG  SER    56       1.210  21.770   5.960  1.00  0.00            
ATOM    247  N   ALA    57      -1.180  22.970   5.030  1.00  0.00            
ATOM    248  CA  ALA    57      -1.610  23.890   3.990  1.00  0.00            
ATOM    249  C   ALA    57      -3.100  24.060   3.980  1.00  0.00            
ATOM    250  O   ALA    57      -3.670  25.160   3.850  1.00  0.00            
ATOM    251  CB  ALA    57      -1.080  23.340   2.650  1.00  0.00            
ATOM    252  H   ALA    57      -0.780  22.240   4.820  1.00  0.00            
ATOM    253  HA  ALA    57      -1.190  24.760   4.150  1.00  0.00            
ATOM    254  HB1 ALA    57      -0.130  23.240   2.690  1.00  0.00            
ATOM    255  HB2 ALA    57      -1.310  23.940   1.940  1.00  0.00            
ATOM    256  HB3 ALA    57      -1.480  22.480   2.480  1.00  0.00            
ATOM    257  N   PHE    58      -3.780  22.890   4.030  1.00  0.00            
ATOM    258  CA  PHE    58      -5.250  22.890   3.950  1.00  0.00            
ATOM    259  C   PHE    58      -5.890  23.700   5.060  1.00  0.00            
ATOM    260  O   PHE    58      -6.920  24.360   4.880  1.00  0.00            
ATOM    261  CB  PHE    58      -5.670  21.410   3.940  1.00  0.00            
ATOM    262  CG  PHE    58      -7.110  21.100   3.610  1.00  0.00            
ATOM    263  CD1 PHE    58      -8.110  20.970   4.540  1.00  0.00            
ATOM    264  CD2 PHE    58      -7.460  20.910   2.290  1.00  0.00            
ATOM    265  CE1 PHE    58      -9.380  20.580   4.190  1.00  0.00            
ATOM    266  CE2 PHE    58      -8.700  20.540   1.880  1.00  0.00            
ATOM    267  CZ  PHE    58      -9.680  20.380   2.860  1.00  0.00            
ATOM    268  H   PHE    58      -3.350  22.150   4.110  1.00  0.00            
ATOM    269  HA  PHE    58      -5.510  23.290   3.090  1.00  0.00            
ATOM    270  HB2 PHE    58      -5.100  20.940   3.300  1.00  0.00            
ATOM    271  HB3 PHE    58      -5.480  21.040   4.820  1.00  0.00            
ATOM    272  HD1 PHE    58      -7.920  21.140   5.440  1.00  0.00            
ATOM    273  HD2 PHE    58      -6.810  21.030   1.640  1.00  0.00            
ATOM    274  HE1 PHE    58     -10.030  20.460   4.840  1.00  0.00            
ATOM    275  HE2 PHE    58      -8.890  20.390   0.980  1.00  0.00            
ATOM    276  HZ  PHE    58     -10.540  20.140   2.620  1.00  0.00            
ATOM    277  N   ALA    59      -5.240  23.660   6.240  1.00  0.00            
ATOM    278  CA  ALA    59      -5.740  24.330   7.390  1.00  0.00            
ATOM    279  C   ALA    59      -5.720  25.860   7.250  1.00  0.00            
ATOM    280  O   ALA    59      -6.360  26.580   8.030  1.00  0.00            
ATOM    281  CB  ALA    59      -4.970  23.870   8.630  1.00  0.00            
ATOM    282  H   ALA    59      -4.510  23.210   6.300  1.00  0.00            
ATOM    283  HA  ALA    59      -6.680  24.060   7.510  1.00  0.00            
ATOM    284  HB1 ALA    59      -5.010  22.910   8.690  1.00  0.00            
ATOM    285  HB2 ALA    59      -5.370  24.260   9.420  1.00  0.00            
ATOM    286  HB3 ALA    59      -4.060  24.160   8.560  1.00  0.00            
ATOM    287  N   ASN    60      -4.990  26.380   6.260  1.00  0.00            
ATOM    288  CA  ASN    60      -4.990  27.810   5.960  1.00  0.00            
ATOM    289  C   ASN    60      -6.160  28.260   5.070  1.00  0.00            
ATOM    290  O   ASN    60      -6.370  29.470   4.960  1.00  0.00            
ATOM    291  CB  ASN    60      -3.670  28.240   5.300  1.00  0.00            
ATOM    292  CG  ASN    60      -2.450  28.170   6.210  1.00  0.00            
ATOM    293  OD1 ASN    60      -2.590  28.080   7.430  1.00  0.00            
ATOM    294  ND2 ASN    60      -1.230  28.310   5.670  1.00  0.00            
ATOM    295  H   ASN    60      -4.500  25.850   5.780  1.00  0.00            
ATOM    296  HA  ASN    60      -5.070  28.280   6.810  1.00  0.00            
ATOM    297  HB2 ASN    60      -3.500  27.680   4.530  1.00  0.00            
ATOM    298  HB3 ASN    60      -3.760  29.150   4.990  1.00  0.00            
ATOM    299 1HD2 ASN    60      -0.540  28.330   6.180  1.00  0.00            
ATOM    300 2HD2 ASN    60      -1.140  28.380   4.820  1.00  0.00            
ATOM    301  N   LEU    61      -6.890  27.340   4.490  1.00  0.00            
ATOM    302  CA  LEU    61      -8.010  27.710   3.660  1.00  0.00            
ATOM    303  C   LEU    61      -9.160  28.160   4.530  1.00  0.00            
ATOM    304  O   LEU    61      -9.260  27.800   5.720  1.00  0.00            
ATOM    305  CB  LEU    61      -8.410  26.530   2.780  1.00  0.00            
ATOM    306  CG  LEU    61      -7.360  25.990   1.850  1.00  0.00            
ATOM    307  CD1 LEU    61      -7.850  24.720   1.200  1.00  0.00            
ATOM    308  CD2 LEU    61      -7.000  27.010   0.790  1.00  0.00            
ATOM    309  H   LEU    61      -6.700  26.510   4.610  1.00  0.00            
ATOM    310  HA  LEU    61      -7.740  28.450   3.090  1.00  0.00            
ATOM    311  HB2 LEU    61      -8.700  25.810   3.360  1.00  0.00            
ATOM    312  HB3 LEU    61      -9.180  26.800   2.250  1.00  0.00            
ATOM    313  HG  LEU    61      -6.550  25.780   2.370  1.00  0.00            
ATOM    314 1HD1 LEU    61      -7.180  24.380   0.610  1.00  0.00            
ATOM    315 2HD1 LEU    61      -8.650  24.900   0.710  1.00  0.00            
ATOM    316 3HD1 LEU    61      -8.040  24.070   1.880  1.00  0.00            
ATOM    317 1HD2 LEU    61      -6.320  26.640   0.210  1.00  0.00            
ATOM    318 2HD2 LEU    61      -6.660  27.800   1.210  1.00  0.00            
ATOM    319 3HD2 LEU    61      -7.780  27.220   0.270  1.00  0.00            
ATOM    320  N   PRO    62     -10.120  28.920   3.990  1.00  0.00            
ATOM    321  CA  PRO    62     -11.340  29.280   4.780  1.00  0.00            
ATOM    322  C   PRO    62     -12.000  28.050   5.330  1.00  0.00            
ATOM    323  O   PRO    62     -12.010  26.970   4.690  1.00  0.00            
ATOM    324  CB  PRO    62     -12.230  30.000   3.750  1.00  0.00            
ATOM    325  CG  PRO    62     -11.270  30.540   2.730  1.00  0.00            
ATOM    326  CD  PRO    62     -10.180  29.490   2.630  1.00  0.00            
ATOM    327  HA  PRO    62     -11.100  29.900   5.500  1.00  0.00            
ATOM    328  HB2 PRO    62     -12.860  29.380   3.340  1.00  0.00            
ATOM    329  HB3 PRO    62     -12.730  30.720   4.170  1.00  0.00            
ATOM    330  HG2 PRO    62     -11.710  30.670   1.870  1.00  0.00            
ATOM    331  HG3 PRO    62     -10.900  31.390   3.020  1.00  0.00            
ATOM    332  HD2 PRO    62     -10.410  28.820   1.980  1.00  0.00            
ATOM    333  HD3 PRO    62      -9.330  29.890   2.380  1.00  0.00            
ATOM    334  N   LEU    63     -12.590  28.160   6.490  1.00  0.00            
ATOM    335  CA  LEU    63     -13.210  26.990   7.100  1.00  0.00            
ATOM    336  C   LEU    63     -14.300  26.400   6.230  1.00  0.00            
ATOM    337  O   LEU    63     -14.430  25.180   6.140  1.00  0.00            
ATOM    338  CB  LEU    63     -13.750  27.300   8.490  1.00  0.00            
ATOM    339  CG  LEU    63     -12.720  27.850   9.470  1.00  0.00            
ATOM    340  CD1 LEU    63     -13.270  27.930  10.890  1.00  0.00            
ATOM    341  CD2 LEU    63     -11.430  27.030   9.480  1.00  0.00            
ATOM    342  H   LEU    63     -12.620  28.910   6.890  1.00  0.00            
ATOM    343  HA  LEU    63     -12.510  26.310   7.200  1.00  0.00            
ATOM    344  HB2 LEU    63     -14.470  27.940   8.410  1.00  0.00            
ATOM    345  HB3 LEU    63     -14.130  26.480   8.860  1.00  0.00            
ATOM    346  HG  LEU    63     -12.500  28.760   9.190  1.00  0.00            
ATOM    347 1HD1 LEU    63     -12.600  28.280  11.480  1.00  0.00            
ATOM    348 2HD1 LEU    63     -13.530  27.050  11.180  1.00  0.00            
ATOM    349 3HD1 LEU    63     -14.040  28.500  10.900  1.00  0.00            
ATOM    350 1HD2 LEU    63     -11.070  26.990   8.590  1.00  0.00            
ATOM    351 2HD2 LEU    63     -11.610  26.150   9.800  1.00  0.00            
ATOM    352 3HD2 LEU    63     -10.790  27.460  10.060  1.00  0.00            
ATOM    353  N   TRP    64     -15.140  27.210   5.630  1.00  0.00            
ATOM    354  CA  TRP    64     -16.210  26.690   4.790  1.00  0.00            
ATOM    355  C   TRP    64     -15.630  25.940   3.610  1.00  0.00            
ATOM    356  O   TRP    64     -16.220  24.980   3.100  1.00  0.00            
ATOM    357  CB  TRP    64     -17.200  27.740   4.300  1.00  0.00            
ATOM    358  CB  TRP    64     -17.070  27.880   4.300  1.00  0.00            
ATOM    359  CG  TRP    64     -16.500  28.720   3.430  1.00  0.00            
ATOM    360  CG  TRP    64     -18.030  28.190   5.430  1.00  0.00            
ATOM    361  CD1 TRP    64     -15.960  29.930   3.770  1.00  0.00            
ATOM    362  CD1 TRP    64     -17.800  29.050   6.460  1.00  0.00            
ATOM    363  CD2 TRP    64     -16.260  28.550   2.030  1.00  0.00            
ATOM    364  CD2 TRP    64     -19.330  27.640   5.650  1.00  0.00            
ATOM    365  NE1 TRP    64     -15.390  30.570   2.720  1.00  0.00            
ATOM    366  NE1 TRP    64     -18.870  29.080   7.300  1.00  0.00            
ATOM    367  CE2 TRP    64     -15.570  29.710   1.620  1.00  0.00            
ATOM    368  CE2 TRP    64     -19.830  28.220   6.820  1.00  0.00            
ATOM    369  CE3 TRP    64     -16.580  27.520   1.130  1.00  0.00            
ATOM    370  CE3 TRP    64     -20.110  26.720   4.950  1.00  0.00            
ATOM    371  CZ2 TRP    64     -15.180  29.850   0.270  1.00  0.00            
ATOM    372  CZ2 TRP    64     -21.090  27.900   7.320  1.00  0.00            
ATOM    373  CZ3 TRP    64     -16.180  27.680  -0.190  1.00  0.00            
ATOM    374  CZ3 TRP    64     -21.360  26.390   5.440  1.00  0.00            
ATOM    375  CH2 TRP    64     -15.490  28.840  -0.590  1.00  0.00            
ATOM    376  CH2 TRP    64     -21.840  26.980   6.610  1.00  0.00            
ATOM    377  H   TRP    64     -15.060  28.060   5.740  1.00  0.00            
ATOM    378  HA  TRP    64     -16.710  26.040   5.330  1.00  0.00            
ATOM    379  HB2 TRP    64     -17.910  27.310   3.800  1.00  0.00            
ATOM    380  HB2 TRP    64     -16.510  28.650   4.110  1.00  0.00            
ATOM    381  HB3 TRP    64     -17.600  28.200   5.060  1.00  0.00            
ATOM    382  HB3 TRP    64     -17.550  27.640   3.500  1.00  0.00            
ATOM    383  HD1 TRP    64     -15.990  30.280   4.630  1.00  0.00            
ATOM    384  HD1 TRP    64     -17.030  29.550   6.570  1.00  0.00            
ATOM    385  HE1 TRP    64     -15.010  31.340   2.730  1.00  0.00            
ATOM    386  HE1 TRP    64     -18.940  29.560   8.010  1.00  0.00            
ATOM    387  HE3 TRP    64     -17.010  26.810   1.340  1.00  0.00            
ATOM    388  HE3 TRP    64     -19.790  26.320   4.170  1.00  0.00            
ATOM    389  HZ2 TRP    64     -14.700  30.690   0.050  1.00  0.00            
ATOM    390  HZ2 TRP    64     -21.380  28.310   8.110  1.00  0.00            
ATOM    391  HZ3 TRP    64     -16.320  27.150  -0.890  1.00  0.00            
ATOM    392  HZ3 TRP    64     -21.920  25.800   5.040  1.00  0.00            
ATOM    393  HH2 TRP    64     -15.190  29.070  -1.490  1.00  0.00            
ATOM    394  HH2 TRP    64     -22.670  26.800   6.980  1.00  0.00            
ATOM    395  N   LYS    65     -14.490  26.390   3.130  1.00  0.00            
ATOM    396  CA  LYS    65     -13.840  25.750   1.970  1.00  0.00            
ATOM    397  C   LYS    65     -13.240  24.410   2.340  1.00  0.00            
ATOM    398  O   LYS    65     -13.320  23.450   1.600  1.00  0.00            
ATOM    399  CB  LYS    65     -12.800  26.650   1.350  1.00  0.00            
ATOM    400  CG  LYS    65     -12.320  26.140   0.010  1.00  0.00            
ATOM    401  CD  LYS    65     -11.810  27.210  -0.900  1.00  0.00            
ATOM    402  CE  LYS    65     -11.760  26.740  -2.340  1.00  0.00            
ATOM    403  NZ  LYS    65     -11.210  27.820  -3.170  1.00  0.00            
ATOM    404  H   LYS    65     -14.100  27.060   3.510  1.00  0.00            
ATOM    405  HA  LYS    65     -14.530  25.580   1.290  1.00  0.00            
ATOM    406  HB2 LYS    65     -13.180  27.540   1.230  1.00  0.00            
ATOM    407  HB3 LYS    65     -12.050  26.720   1.950  1.00  0.00            
ATOM    408  HG2 LYS    65     -11.610  25.490   0.160  1.00  0.00            
ATOM    409  HG3 LYS    65     -13.050  25.680  -0.430  1.00  0.00            
ATOM    410  HD2 LYS    65     -12.380  27.990  -0.830  1.00  0.00            
ATOM    411  HD3 LYS    65     -10.920  27.470  -0.620  1.00  0.00            
ATOM    412  HE2 LYS    65     -11.190  25.960  -2.410  1.00  0.00            
ATOM    413  HE3 LYS    65     -12.650  26.510  -2.650  1.00  0.00            
ATOM    414  HZ1 LYS    65     -11.180  27.560  -4.020  1.00  0.00            
ATOM    415  HZ2 LYS    65     -10.390  28.030  -2.900  1.00  0.00            
ATOM    416  HZ3 LYS    65     -11.740  28.540  -3.100  1.00  0.00            
ATOM    417  N   GLN    66     -12.620  24.340   3.540  1.00  0.00            
ATOM    418  CA  GLN    66     -12.150  23.040   4.030  1.00  0.00            
ATOM    419  C   GLN    66     -13.310  22.060   4.110  1.00  0.00            
ATOM    420  O   GLN    66     -13.190  20.910   3.670  1.00  0.00            
ATOM    421  CB  GLN    66     -11.540  23.190   5.400  1.00  0.00            
ATOM    422  CG  GLN    66     -10.270  24.040   5.450  1.00  0.00            
ATOM    423  CD  GLN    66      -9.720  24.140   6.840  1.00  0.00            
ATOM    424  OE1 GLN    66      -9.660  23.150   7.570  1.00  0.00            
ATOM    425  NE2 GLN    66      -9.280  25.340   7.220  1.00  0.00            
ATOM    426  H   GLN    66     -12.490  25.050   4.010  1.00  0.00            
ATOM    427  HA  GLN    66     -11.470  22.680   3.420  1.00  0.00            
ATOM    428  HB2 GLN    66     -12.200  23.590   5.990  1.00  0.00            
ATOM    429  HB3 GLN    66     -11.340  22.310   5.740  1.00  0.00            
ATOM    430  HG2 GLN    66      -9.600  23.640   4.870  1.00  0.00            
ATOM    431  HG3 GLN    66     -10.460  24.930   5.110  1.00  0.00            
ATOM    432 1HE2 GLN    66      -8.930  25.450   8.000  1.00  0.00            
ATOM    433 2HE2 GLN    66      -9.330  26.010   6.680  1.00  0.00            
ATOM    434  N   GLN    67     -14.450  22.500   4.640  1.00  0.00            
ATOM    435  CA  GLN    67     -15.620  21.640   4.730  1.00  0.00            
ATOM    436  C   GLN    67     -16.060  21.190   3.340  1.00  0.00            
ATOM    437  O   GLN    67     -16.330  20.020   3.100  1.00  0.00            
ATOM    438  CB  GLN    67     -16.770  22.290   5.510  1.00  0.00            
ATOM    439  CG  GLN    67     -17.960  21.370   5.640  1.00  0.00            
ATOM    440  CD  GLN    67     -19.190  22.000   6.290  1.00  0.00            
ATOM    441  OE1 GLN    67     -19.610  23.080   5.890  1.00  0.00            
ATOM    442  NE2 GLN    67     -19.740  21.340   7.290  1.00  0.00            
ATOM    443  H   GLN    67     -14.500  23.310   4.930  1.00  0.00            
ATOM    444  HA  GLN    67     -15.360  20.830   5.230  1.00  0.00            
ATOM    445  HB2 GLN    67     -16.450  22.530   6.400  1.00  0.00            
ATOM    446  HB3 GLN    67     -17.040  23.100   5.060  1.00  0.00            
ATOM    447  HG2 GLN    67     -18.210  21.060   4.750  1.00  0.00            
ATOM    448  HG3 GLN    67     -17.700  20.590   6.160  1.00  0.00            
ATOM    449 1HE2 GLN    67     -20.430  21.660   7.690  1.00  0.00            
ATOM    450 2HE2 GLN    67     -19.410  20.590   7.540  1.00  0.00            
ATOM    451  N   HIS    68     -16.170  22.130   2.420  1.00  0.00            
ATOM    452  CA  HIS    68     -16.580  21.830   1.050  1.00  0.00            
ATOM    453  C   HIS    68     -15.660  20.830   0.390  1.00  0.00            
ATOM    454  O   HIS    68     -16.110  19.870  -0.230  1.00  0.00            
ATOM    455  CB  HIS    68     -16.500  23.120   0.220  1.00  0.00            
ATOM    456  CB  HIS    68     -16.710  23.130   0.260  1.00  0.00            
ATOM    457  CG  HIS    68     -16.360  23.110  -1.270  1.00  0.00            
ATOM    458  CG  HIS    68     -17.490  22.690  -0.940  1.00  0.00            
ATOM    459  ND1 HIS    68     -15.360  23.470  -2.140  1.00  0.00            
ATOM    460  ND1 HIS    68     -17.090  23.010  -2.210  1.00  0.00            
ATOM    461  CD2 HIS    68     -17.320  22.630  -2.110  1.00  0.00            
ATOM    462  CD2 HIS    68     -18.570  21.920  -1.100  1.00  0.00            
ATOM    463  CE1 HIS    68     -15.660  23.290  -3.400  1.00  0.00            
ATOM    464  CE1 HIS    68     -17.960  22.490  -3.060  1.00  0.00            
ATOM    465  NE2 HIS    68     -16.880  22.780  -3.390  1.00  0.00            
ATOM    466  NE2 HIS    68     -18.910  21.800  -2.400  1.00  0.00            
ATOM    467  H   HIS    68     -16.000  22.950   2.630  1.00  0.00            
ATOM    468  HA  HIS    68     -17.490  21.490   1.050  1.00  0.00            
ATOM    469  HB2 HIS    68     -17.300  23.630   0.420  1.00  0.00            
ATOM    470  HB2 HIS    68     -17.190  23.810   0.770  1.00  0.00            
ATOM    471  HB3 HIS    68     -15.750  23.630   0.560  1.00  0.00            
ATOM    472  HB3 HIS    68     -15.840  23.480   0.010  1.00  0.00            
ATOM    473  HD1 HIS    68     -14.610  23.780  -1.880  1.00  0.00            
ATOM    474  HD1 HIS    68     -16.400  23.470  -2.430  1.00  0.00            
ATOM    475  HD2 HIS    68     -18.140  22.270  -1.850  1.00  0.00            
ATOM    476  HD2 HIS    68     -19.030  21.520  -0.400  1.00  0.00            
ATOM    477  HE1 HIS    68     -15.130  23.470  -4.150  1.00  0.00            
ATOM    478  HE1 HIS    68     -17.930  22.590  -3.980  1.00  0.00            
ATOM    479  N   LEU    69     -14.350  21.050   0.490  1.00  0.00            
ATOM    480  CA  LEU    69     -13.420  20.190  -0.210  1.00  0.00            
ATOM    481  C   LEU    69     -13.470  18.790   0.350  1.00  0.00            
ATOM    482  O   LEU    69     -13.360  17.800  -0.400  1.00  0.00            
ATOM    483  CB  LEU    69     -11.990  20.780  -0.170  1.00  0.00            
ATOM    484  CG  LEU    69     -11.770  22.080  -0.980  1.00  0.00            
ATOM    485  CD1 LEU    69     -10.420  22.710  -0.640  1.00  0.00            
ATOM    486  CD2 LEU    69     -11.920  21.880  -2.460  1.00  0.00            
ATOM    487  H   LEU    69     -14.060  21.710   0.970  1.00  0.00            
ATOM    488  HA  LEU    69     -13.700  20.150  -1.150  1.00  0.00            
ATOM    489  HB2 LEU    69     -11.760  20.960   0.750  1.00  0.00            
ATOM    490  HB3 LEU    69     -11.380  20.110  -0.500  1.00  0.00            
ATOM    491  HG  LEU    69     -12.460  22.720  -0.710  1.00  0.00            
ATOM    492 1HD1 LEU    69     -10.350  22.820   0.320  1.00  0.00            
ATOM    493 2HD1 LEU    69     -10.340  23.560  -1.060  1.00  0.00            
ATOM    494 3HD1 LEU    69      -9.710  22.130  -0.940  1.00  0.00            
ATOM    495 1HD2 LEU    69     -12.780  21.480  -2.640  1.00  0.00            
ATOM    496 2HD2 LEU    69     -11.230  21.290  -2.770  1.00  0.00            
ATOM    497 3HD2 LEU    69     -11.850  22.720  -2.910  1.00  0.00            
ATOM    498  N   LYS    70     -13.600  18.670   1.650  1.00  0.00            
ATOM    499  CA  LYS    70     -13.730  17.360   2.260  1.00  0.00            
ATOM    500  C   LYS    70     -15.030  16.660   1.830  1.00  0.00            
ATOM    501  O   LYS    70     -15.040  15.490   1.420  1.00  0.00            
ATOM    502  CB  LYS    70     -13.640  17.420   3.780  1.00  0.00            
ATOM    503  CG  LYS    70     -12.240  17.730   4.230  1.00  0.00            
ATOM    504  CD  LYS    70     -12.070  17.610   5.710  1.00  0.00            
ATOM    505  CE  LYS    70     -10.970  16.780   6.230  1.00  0.00            
ATOM    506  NZ  LYS    70     -10.790  17.210   7.640  1.00  0.00            
ATOM    507  H   LYS    70     -13.620  19.380   2.150  1.00  0.00            
ATOM    508  HA  LYS    70     -12.980  16.820   1.940  1.00  0.00            
ATOM    509  HB2 LYS    70     -14.240  18.100   4.110  1.00  0.00            
ATOM    510  HB3 LYS    70     -13.910  16.560   4.150  1.00  0.00            
ATOM    511  HG2 LYS    70     -11.620  17.120   3.790  1.00  0.00            
ATOM    512  HG3 LYS    70     -12.010  18.630   3.960  1.00  0.00            
ATOM    513  HD2 LYS    70     -11.970  18.500   6.060  1.00  0.00            
ATOM    514  HD3 LYS    70     -12.900  17.250   6.060  1.00  0.00            
ATOM    515  HE2 LYS    70     -11.200  15.840   6.180  1.00  0.00            
ATOM    516  HE3 LYS    70     -10.160  16.930   5.720  1.00  0.00            
ATOM    517  HZ1 LYS    70     -10.130  16.740   8.010  1.00  0.00            
ATOM    518  HZ2 LYS    70     -11.540  17.070   8.090  1.00  0.00            
ATOM    519  HZ3 LYS    70     -10.580  18.080   7.660  1.00  0.00            
ATOM    520  N   LYS    71     -16.150  17.370   1.870  1.00  0.00            
ATOM    521  CA  LYS    71     -17.420  16.760   1.470  1.00  0.00            
ATOM    522  C   LYS    71     -17.390  16.350  -0.010  1.00  0.00            
ATOM    523  O   LYS    71     -17.960  15.320  -0.360  1.00  0.00            
ATOM    524  CB  LYS    71     -18.580  17.690   1.830  1.00  0.00            
ATOM    525  CG  LYS    71     -18.750  17.720   3.380  1.00  0.00            
ATOM    526  CD  LYS    71     -19.960  18.420   3.930  1.00  0.00            
ATOM    527  CE  LYS    71     -20.270  18.230   5.410  1.00  0.00            
ATOM    528  NZ  LYS    71     -21.650  18.770   5.670  1.00  0.00            
ATOM    529  H   LYS    71     -16.130  18.190   2.140  1.00  0.00            
ATOM    530  HA  LYS    71     -17.530  15.940   1.990  1.00  0.00            
ATOM    531  HB2 LYS    71     -18.390  18.590   1.510  1.00  0.00            
ATOM    532  HB3 LYS    71     -19.390  17.380   1.410  1.00  0.00            
ATOM    533  HG2 LYS    71     -18.770  16.800   3.690  1.00  0.00            
ATOM    534  HG3 LYS    71     -17.960  18.140   3.760  1.00  0.00            
ATOM    535  HD2 LYS    71     -19.850  19.370   3.770  1.00  0.00            
ATOM    536  HD3 LYS    71     -20.730  18.120   3.430  1.00  0.00            
ATOM    537  HE2 LYS    71     -20.230  17.290   5.640  1.00  0.00            
ATOM    538  HE3 LYS    71     -19.620  18.700   5.950  1.00  0.00            
ATOM    539  HZ1 LYS    71     -21.850  18.670   6.530  1.00  0.00            
ATOM    540  HZ2 LYS    71     -22.240  18.330   5.170  1.00  0.00            
ATOM    541  HZ3 LYS    71     -21.670  19.640   5.450  1.00  0.00            
ATOM    542  N   GLU    72     -16.800  17.160  -0.860  1.00  0.00            
ATOM    543  CA  GLU    72     -16.700  16.810  -2.260  1.00  0.00            
ATOM    544  C   GLU    72     -15.960  15.490  -2.480  1.00  0.00            
ATOM    545  O   GLU    72     -16.240  14.820  -3.470  1.00  0.00            
ATOM    546  CB  GLU    72     -16.020  17.920  -3.060  1.00  0.00            
ATOM    547  CG  GLU    72     -16.870  19.140  -3.380  1.00  0.00            
ATOM    548  CD  GLU    72     -18.050  18.820  -4.260  1.00  0.00            
ATOM    549  OE1 GLU    72     -19.260  19.050  -3.890  1.00  0.00            
ATOM    550  OE2 GLU    72     -17.820  18.300  -5.390  1.00  0.00            
ATOM    551  H   GLU    72     -16.460  17.900  -0.580  1.00  0.00            
ATOM    552  HA  GLU    72     -17.610  16.700  -2.610  1.00  0.00            
ATOM    553  HB2 GLU    72     -15.240  18.210  -2.570  1.00  0.00            
ATOM    554  HB3 GLU    72     -15.720  17.540  -3.900  1.00  0.00            
ATOM    555  HG2 GLU    72     -17.190  19.530  -2.550  1.00  0.00            
ATOM    556  HG3 GLU    72     -16.320  19.810  -3.820  1.00  0.00            
ATOM    557  N   LYS    73     -15.040  15.140  -1.590  1.00  0.00            
ATOM    558  CA  LYS    73     -14.240  13.930  -1.670  1.00  0.00            
ATOM    559  C   LYS    73     -14.880  12.820  -0.810  1.00  0.00            
ATOM    560  O   LYS    73     -14.330  11.730  -0.640  1.00  0.00            
ATOM    561  CB  LYS    73     -12.790  14.190  -1.280  1.00  0.00            
ATOM    562  CG  LYS    73     -11.930  15.020  -2.210  1.00  0.00            
ATOM    563  CD  LYS    73     -11.550  14.310  -3.480  1.00  0.00            
ATOM    564  CE  LYS    73     -10.650  15.130  -4.410  1.00  0.00            
ATOM    565  NZ  LYS    73     -11.350  16.260  -5.010  1.00  0.00            
ATOM    566  H   LYS    73     -14.910  15.660  -0.920  1.00  0.00            
ATOM    567  HA  LYS    73     -14.250  13.620  -2.600  1.00  0.00            
ATOM    568  HB2 LYS    73     -12.790  14.630  -0.410  1.00  0.00            
ATOM    569  HB3 LYS    73     -12.360  13.330  -1.160  1.00  0.00            
ATOM    570  HG2 LYS    73     -12.410  15.830  -2.430  1.00  0.00            
ATOM    571  HG3 LYS    73     -11.120  15.270  -1.740  1.00  0.00            
ATOM    572  HD2 LYS    73     -11.100  13.490  -3.250  1.00  0.00            
ATOM    573  HD3 LYS    73     -12.370  14.080  -3.960  1.00  0.00            
ATOM    574  HE2 LYS    73      -9.890  15.450  -3.910  1.00  0.00            
ATOM    575  HE3 LYS    73     -10.320  14.550  -5.120  1.00  0.00            
ATOM    576  HZ1 LYS    73     -10.800  16.690  -5.550  1.00  0.00            
ATOM    577  HZ2 LYS    73     -11.630  16.810  -4.370  1.00  0.00            
ATOM    578  HZ3 LYS    73     -12.050  15.960  -5.480  1.00  0.00            
ATOM    579  N   GLY    74     -16.080  13.040  -0.280  1.00  0.00            
ATOM    580  CA  GLY    74     -16.750  12.060   0.530  1.00  0.00            
ATOM    581  C   GLY    74     -16.220  11.820   1.940  1.00  0.00            
ATOM    582  O   GLY    74     -16.580  10.750   2.490  1.00  0.00            
ATOM    583  H   GLY    74     -16.460  13.800  -0.420  1.00  0.00            
ATOM    584  HA2 GLY    74     -17.680  12.320   0.600  1.00  0.00            
ATOM    585  HA3 GLY    74     -16.730  11.210   0.050  1.00  0.00            
ATOM    586  N   LEU    75     -15.490  12.790   2.470  1.00  0.00            
ATOM    587  CA  LEU    75     -14.840  12.800   3.790  1.00  0.00            
ATOM    588  C   LEU    75     -15.430  13.870   4.700  1.00  0.00            
ATOM    589  O   LEU    75     -16.180  14.760   4.250  1.00  0.00            
ATOM    590  CB  LEU    75     -13.310  12.990   3.650  1.00  0.00            
ATOM    591  CG  LEU    75     -12.600  11.880   2.870  1.00  0.00            
ATOM    592  CD1 LEU    75     -11.300  12.230   2.170  1.00  0.00            
ATOM    593  CD2 LEU    75     -12.240  10.750   3.870  1.00  0.00            
ATOM    594  H   LEU    75     -15.400  13.500   1.990  1.00  0.00            
ATOM    595  HA  LEU    75     -15.000  11.930   4.210  1.00  0.00            
ATOM    596  HB2 LEU    75     -13.140  13.830   3.210  1.00  0.00            
ATOM    597  HB3 LEU    75     -12.920  13.040   4.540  1.00  0.00            
ATOM    598  HG  LEU    75     -13.230  11.520   2.210  1.00  0.00            
ATOM    599 1HD1 LEU    75     -10.980  11.460   1.690  1.00  0.00            
ATOM    600 2HD1 LEU    75     -10.650  12.500   2.820  1.00  0.00            
ATOM    601 3HD1 LEU    75     -11.460  12.940   1.550  1.00  0.00            
ATOM    602 1HD2 LEU    75     -13.020  10.490   4.360  1.00  0.00            
ATOM    603 2HD2 LEU    75     -11.560  11.070   4.480  1.00  0.00            
ATOM    604 3HD2 LEU    75     -11.890  10.000   3.380  1.00  0.00            
ATOM    605  N   PHE    76     -15.100  13.790   5.990  1.00  0.00            
ATOM    606  CA  PHE    76     -15.670  14.560   7.080  1.00  0.00            
ATOM    607  C   PHE    76     -14.600  15.450   7.690  1.00  0.00            
ATOM    608  O   PHE    76     -13.480  14.930   7.600  1.00  0.00            
ATOM    609  CB  PHE    76     -16.180  13.660   8.210  1.00  0.00            
ATOM    610  CB  PHE    76     -16.210  13.720   8.220  1.00  0.00            
ATOM    611  CG  PHE    76     -17.350  12.790   7.800  1.00  0.00            
ATOM    612  CG  PHE    76     -17.230  12.630   8.170  1.00  0.00            
ATOM    613  CD1 PHE    76     -17.390  11.450   8.140  1.00  0.00            
ATOM    614  CD1 PHE    76     -16.820  11.300   8.290  1.00  0.00            
ATOM    615  CD2 PHE    76     -18.380  13.360   7.070  1.00  0.00            
ATOM    616  CD2 PHE    76     -18.590  12.860   8.010  1.00  0.00            
ATOM    617  CE1 PHE    76     -18.470  10.680   7.770  1.00  0.00            
ATOM    618  CE1 PHE    76     -17.700  10.240   8.270  1.00  0.00            
ATOM    619  CE2 PHE    76     -19.460  12.580   6.670  1.00  0.00            
ATOM    620  CE2 PHE    76     -19.480  11.800   8.000  1.00  0.00            
ATOM    621  CZ  PHE    76     -19.480  11.250   7.020  1.00  0.00            
ATOM    622  CZ  PHE    76     -19.060  10.490   8.140  1.00  0.00            
ATOM    623  OXT PHE    76     -14.900  16.490   8.300  1.00  0.00            
ATOM    624  H   PHE    76     -14.490  13.230   6.200  1.00  0.00            
ATOM    625  HA  PHE    76     -16.410  15.110   6.740  1.00  0.00            
ATOM    626  HB2 PHE    76     -15.450  13.090   8.510  1.00  0.00            
ATOM    627  HB2 PHE    76     -15.430  13.320   8.630  1.00  0.00            
ATOM    628  HB3 PHE    76     -16.440  14.220   8.960  1.00  0.00            
ATOM    629  HB3 PHE    76     -16.560  14.360   8.860  1.00  0.00            
ATOM    630  HD1 PHE    76     -16.700  11.080   8.630  1.00  0.00            
ATOM    631  HD1 PHE    76     -15.910  11.130   8.400  1.00  0.00            
ATOM    632  HD2 PHE    76     -18.350  14.260   6.840  1.00  0.00            
ATOM    633  HD2 PHE    76     -18.900  13.730   7.910  1.00  0.00            
ATOM    634  HE1 PHE    76     -18.510   9.780   8.020  1.00  0.00            
ATOM    635  HE1 PHE    76     -17.380   9.370   8.350  1.00  0.00            
ATOM    636  HE2 PHE    76     -20.160  12.950   6.180  1.00  0.00            
ATOM    637  HE2 PHE    76     -20.390  11.980   7.890  1.00  0.00            
ATOM    638  HZ  PHE    76     -20.200  10.720   6.750  1.00  0.00            
ATOM    639  HZ  PHE    76     -19.670   9.800   8.150  1.00  0.00            
ATOM    640  S   SO4    77      -9.080  13.780   7.260  1.00  0.00            
ATOM    641  S   SO4    77      -9.780  12.830   6.870  1.00  0.00            
ATOM    642  O1  SO4    77      -9.110  13.700   5.770  1.00  0.00            
ATOM    643  O1  SO4    77     -10.260  11.520   7.200  1.00  0.00            
ATOM    644  O2  SO4    77      -7.900  12.930   7.630  1.00  0.00            
ATOM    645  O2  SO4    77     -10.780  13.900   7.100  1.00  0.00            
ATOM    646  O3  SO4    77     -10.530  13.790   7.470  1.00  0.00            
ATOM    647  O3  SO4    77      -9.640  13.030   5.430  1.00  0.00            
ATOM    648  O4  SO4    77      -8.650  15.090   7.690  1.00  0.00            
ATOM    649  O4  SO4    77      -8.490  12.860   7.590  1.00  0.00            
ATOM    650  C   ACT    80     -14.900  33.440   4.740  1.00  0.00            
ATOM    651  C   ACT    80     -14.420  31.170   6.910  1.00  0.00            
ATOM    652  C   ACT    80     -14.540  31.030   6.880  1.00  0.00            
ATOM    653  O   ACT    80     -16.130  33.900   4.730  1.00  0.00            
ATOM    654  O   ACT    80     -13.190  30.820   7.380  1.00  0.00            
ATOM    655  O   ACT    80     -14.990  32.240   6.840  1.00  0.00            
ATOM    656  OXT ACT    80     -14.130  33.890   3.870  1.00  0.00            
ATOM    657  OXT ACT    80     -15.280  31.160   7.800  1.00  0.00            
ATOM    658  OXT ACT    80     -13.340  30.790   7.070  1.00  0.00            
ATOM    659  CH3 ACT    80     -14.420  32.560   5.850  1.00  0.00            
ATOM    660  CH3 ACT    80     -14.850  30.250   5.760  1.00  0.00            
ATOM    661  CH3 ACT    80     -15.560  29.900   7.060  1.00  0.00            
ATOM    662  H1  ACT    80     -15.160  32.330   6.420  1.00  0.00            
ATOM    663  H1  ACT    80     -14.170  30.240   5.080  1.00  0.00            
ATOM    664  H1  ACT    80     -16.440  30.230   6.870  1.00  0.00            
ATOM    665  H2  ACT    80     -13.760  33.030   6.370  1.00  0.00            
ATOM    666  H2  ACT    80     -15.670  30.570   5.380  1.00  0.00            
ATOM    667  H2  ACT    80     -15.530  29.590   7.970  1.00  0.00            
ATOM    668  H3  ACT    80     -14.040  31.760   5.490  1.00  0.00            
ATOM    669  H3  ACT    80     -14.970  29.360   6.090  1.00  0.00            
ATOM    670  H3  ACT    80     -15.350  29.180   6.460  1.00  0.00            
ATOM    671  O   HOH  1001      -0.550   5.880   4.300  1.00  0.00            
ATOM    672  O   HOH  1002     -11.600  30.460   7.940  1.00  0.00            
ATOM    673  O   HOH  1002     -15.100  33.300   1.810  1.00  0.00            
ATOM    674  O   HOH  1003       0.820  18.870   7.480  1.00  0.00            
ATOM    675  O   HOH  1004     -14.090  23.270   8.270  1.00  0.00            
ATOM    676  O   HOH  1005      -9.690  18.840  -3.490  1.00  0.00            
ATOM    677  O   HOH  1006      -6.010  20.260   7.550  1.00  0.00            
ATOM    678  O   HOH  1007     -15.080  13.470  -5.430  1.00  0.00            
ATOM    679  O   HOH  1008      -0.430  15.880   4.970  1.00  0.00            
ATOM    680  O   HOH  1009     -12.240  18.320  -2.980  1.00  0.00            
ATOM    681  O   HOH  1010      -8.250  29.240   7.920  1.00  0.00            
ATOM    682  O   HOH  1011     -19.850  13.740   1.270  1.00  0.00            
ATOM    683  O   HOH  1012      -0.190  18.940  -5.280  1.00  0.00            
ATOM    684  O   HOH  1013      -0.620   7.040   0.400  1.00  0.00            
ATOM    685  O   HOH  1014     -16.480  18.570   7.440  1.00  0.00            
ATOM    686  O   HOH  1015      -8.110  31.590   4.200  1.00  0.00            
ATOM    687  O   HOH  1016      -4.950   6.420   5.630  1.00  0.00            
ATOM    688  O   HOH  1017       1.070  11.300  -0.700  1.00  0.00            
ATOM    689  O   HOH  1018      -7.880  20.180  -1.840  1.00  0.00            
ATOM    690  O   HOH  1019      -8.790  32.550   1.610  1.00  0.00            
ATOM    691  O   HOH  1020      -7.960  25.730   9.960  1.00  0.00            
ATOM    692  O   HOH  1021      -2.300  12.670  11.240  1.00  0.00            
ATOM    693  O   HOH  1022      -1.680  25.950   8.830  1.00  0.00            
ATOM    694  O   HOH  1023      -3.000   4.310   5.860  1.00  0.00            
ATOM    695  O   HOH  1024     -19.080  13.500   4.000  1.00  0.00            
ATOM    696  O   HOH  1025       0.280  10.140   9.220  1.00  0.00            
ATOM    697  O   HOH  1026     -12.420  14.450  10.060  1.00  0.00            
ATOM    698  O   HOH  1027       1.250  28.290   7.090  1.00  0.00            
ATOM    699  O   HOH  1028     -13.590  15.290  -6.220  1.00  0.00            
ATOM    700  O   HOH  1029      -7.850  22.400  -3.430  1.00  0.00            
ATOM    701  O   HOH  1030     -13.400  19.390  -5.200  1.00  0.00            
ATOM    702  O   HOH  1031       0.250  17.100   9.430  1.00  0.00            
ATOM    703  O   HOH  1032       1.040  12.760  -3.150  1.00  0.00            
ATOM    704  O   HOH  1033       3.430  19.850   7.600  1.00  0.00            
ATOM    705  O   HOH  1034     -14.760  20.660   8.330  1.00  0.00            
ATOM    706  O   HOH  1035       0.570  21.250  -6.830  1.00  0.00            
ATOM    707  O   HOH  1036      -0.530  14.950  -3.540  1.00  0.00            
ATOM    708  O   HOH  1037      -7.610  17.050  -4.660  1.00  0.00            
ATOM    709  O   HOH  1038      -8.990  24.640  -3.150  1.00  0.00            
ATOM    710  O   HOH  1039     -21.420  24.470   7.460  1.00  0.00            
ATOM    711  O   HOH  1040     -18.170   9.210   3.860  1.00  0.00            
ATOM    712  O   HOH  1041      -9.690  32.210   6.290  1.00  0.00            
ATOM    713  O   HOH  1042     -11.100  20.710   7.990  1.00  0.00            
ATOM    714  O   HOH  1043      -5.900   5.760   7.690  1.00  0.00            
ATOM    715  O   HOH  1044     -16.030  19.580  -6.120  1.00  0.00            
ATOM    716  O   HOH  1045     -19.870  18.200  -1.490  1.00  0.00            
ATOM    717  O   HOH  1046      -5.490  21.040  -4.590  1.00  0.00            
ATOM    718  O   HOH  1047     -20.200  13.310  -2.710  1.00  0.00            
ATOM    719  O   HOH  1048      -9.450  20.710  -5.550  1.00  0.00            
ATOM    720  O   HOH  1049     -16.750  29.010   9.480  1.00  0.00            
ATOM    721  O   HOH  1050      -1.380  29.660   9.480  1.00  0.00            
ATOM    722  O   HOH  1051     -21.250  18.270   8.360  1.00  0.00            
ATOM    723  O   HOH  1052     -18.840  16.740  -6.800  1.00  0.00            
ATOM    724  O   HOH  1053     -11.020  34.250   1.990  1.00  0.00            
ATOM    725  O   HOH  1054     -11.450  25.190  -5.160  1.00  0.00            
ATOM    726  O   HOH  1055     -18.540  14.850  -4.260  1.00  0.00            
ATOM    727  O   HOH  1056     -14.140  34.780   8.210  1.00  0.00            
ATOM    728  O   HOH  1057      -5.490  31.340   6.880  1.00  0.00            
ATOM    729  O   HOH  1058      -8.690  30.140   9.980  1.00  0.00            
ATOM    730  O   HOH  1059      -1.860  22.590  -6.800  1.00  0.00            
ATOM    731  O   HOH  1060     -13.000  33.170   0.000  1.00  0.00            
TER
ENDMDL