annotate test-data/aligned_structure.pdb @ 0:6352d6dd74e2 draft default tip

planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit b90c5ab8f15397299e8baf2e903a9911c44d7668

ATOM      1  N   ARG     1       6.163   6.849  -0.948  1.00  0.00           N  
ATOM      2  H1  ARG     1       5.435   6.700  -1.619  1.00  0.00           H  
ATOM      3  H2  ARG     1       6.120   7.789  -0.616  1.00  0.00           H  
ATOM      4  H3  ARG     1       7.049   6.675  -1.372  1.00  0.00           H  
ATOM      5  CA  ARG     1       6.016   6.125  -0.066  1.00  0.00           C  
ATOM      6  HA  ARG     1       5.815   5.356  -0.665  1.00  0.00           H  
ATOM      7  CB  ARG     1       7.270   6.726   0.577  1.00  0.00           C  
ATOM      8  HB1 ARG     1       8.029   6.625  -0.062  1.00  0.00           H  
ATOM      9  HB2 ARG     1       7.462   6.219   1.419  1.00  0.00           H  
ATOM     10  CG  ARG     1       7.154   8.197   0.955  1.00  0.00           C  
ATOM     11  HG1 ARG     1       6.549   8.297   1.736  1.00  0.00           H  
ATOM     12  HG2 ARG     1       6.783   8.712   0.177  1.00  0.00           H  
ATOM     13  CD  ARG     1       8.524   8.756   1.310  1.00  0.00           C  
ATOM     14  HD1 ARG     1       9.137   8.652   0.517  1.00  0.00           H  
ATOM     15  HD2 ARG     1       8.895   8.263   2.087  1.00  0.00           H  
ATOM     16  NE  ARG     1       8.483  10.179   1.655  1.00  0.00           N  
ATOM     17  HE  ARG     1       8.722  10.838   0.946  1.00  0.00           H  
ATOM     18  CZ  ARG     1       8.165  10.646   2.852  1.00  0.00           C  
ATOM     19  NH1 ARG     1       7.833   9.810   3.832  1.00  0.00           N  
ATOM     20 HH11 ARG     1       7.838   8.823   3.670  1.00  0.00           H  
ATOM     21 HH12 ARG     1       7.597  10.167   4.731  1.00  0.00           H  
ATOM     22  NH2 ARG     1       8.173  11.953   3.080  1.00  0.00           N  
ATOM     23 HH21 ARG     1       8.424  12.588   2.345  1.00  0.00           H  
ATOM     24 HH22 ARG     1       7.928  12.309   3.982  1.00  0.00           H  
ATOM     25  C   ARG     1       5.043   6.431   1.431  1.00  0.00           C  
ATOM     26  O   ARG     1       3.837   6.551   1.464  1.00  0.00           O  
ATOM     27  N   HIS     2       5.684   5.685   2.300  1.00  0.00           N  
ATOM     28  H   HIS     2       6.658   5.485   2.196  1.00  0.00           H  
ATOM     29  CA  HIS     2       4.909   5.168   3.434  1.00  0.00           C  
ATOM     30  HA  HIS     2       4.450   5.995   3.771  1.00  0.00           H  
ATOM     31  CB  HIS     2       3.866   4.060   3.283  1.00  0.00           C  
ATOM     32  HB1 HIS     2       3.272   4.272   2.508  1.00  0.00           H  
ATOM     33  HB2 HIS     2       3.313   4.002   4.112  1.00  0.00           H  
ATOM     34  CG  HIS     2       4.458   2.707   3.044  1.00  0.00           C  
ATOM     35  ND1 HIS     2       4.929   2.263   1.832  1.00  0.00           N  
ATOM     36  CE1 HIS     2       5.451   1.040   1.995  1.00  0.00           C  
ATOM     37  HE1 HIS     2       5.867   0.500   1.271  1.00  0.00           H  
ATOM     38  NE2 HIS     2       5.337   0.646   3.252  1.00  0.00           N  
ATOM     39  HE2 HIS     2       5.631  -0.223   3.646  1.00  0.00           H  
ATOM     40  CD2 HIS     2       4.697   1.692   3.918  1.00  0.00           C  
ATOM     41  HD2 HIS     2       4.464   1.701   4.892  1.00  0.00           H  
ATOM     42  C   HIS     2       5.934   4.385   4.189  1.00  0.00           C  
ATOM     43  O   HIS     2       5.915   3.182   4.060  1.00  0.00           O  
ATOM     44  N   TYR     3       6.889   5.029   4.855  1.00  0.00           N  
ATOM     45  H   TYR     3       6.870   6.027   4.884  1.00  0.00           H  
ATOM     46  CA  TYR     3       7.956   4.326   5.551  1.00  0.00           C  
ATOM     47  HA  TYR     3       8.065   5.293   5.330  1.00  0.00           H  
ATOM     48  CB  TYR     3       8.817   4.757   6.736  1.00  0.00           C  
ATOM     49  HB1 TYR     3       8.884   5.758   6.736  1.00  0.00           H  
ATOM     50  HB2 TYR     3       9.727   4.358   6.645  1.00  0.00           H  
ATOM     51  CG  TYR     3       8.239   4.327   8.056  1.00  0.00           C  
ATOM     52  CD1 TYR     3       7.364   5.158   8.726  1.00  0.00           C  
ATOM     53  HD1 TYR     3       7.152   6.058   8.361  1.00  0.00           H  
ATOM     54  CE1 TYR     3       6.772   4.760   9.913  1.00  0.00           C  
ATOM     55  HE1 TYR     3       6.142   5.382  10.385  1.00  0.00           H  
ATOM     56  CZ  TYR     3       7.060   3.526  10.443  1.00  0.00           C  
ATOM     57  OH  TYR     3       6.390   3.139  11.589  1.00  0.00           O  
ATOM     58  HH  TYR     3       6.687   2.232  11.861  1.00  0.00           H  
ATOM     59  CE2 TYR     3       7.944   2.664   9.798  1.00  0.00           C  
ATOM     60  HE2 TYR     3       8.154   1.765  10.188  1.00  0.00           H  
ATOM     61  CD2 TYR     3       8.533   3.080   8.602  1.00  0.00           C  
ATOM     62  HD2 TYR     3       9.173   2.472   8.132  1.00  0.00           H  
ATOM     63  C   TYR     3       8.111   2.740   5.153  1.00  0.00           C  
ATOM     64  O   TYR     3       7.249   1.880   5.246  1.00  0.00           O  
ATOM     65  N   TYR     4       9.310   2.513   4.588  1.00  0.00           N  
ATOM     66  H   TYR     4       9.937   3.296   4.638  1.00  0.00           H  
ATOM     67  CA  TYR     4       9.819   1.418   3.968  1.00  0.00           C  
ATOM     68  HA  TYR     4       9.058   0.893   4.328  1.00  0.00           H  
ATOM     69  CB  TYR     4       9.798   1.029   2.490  1.00  0.00           C  
ATOM     70  HB1 TYR     4      10.333   1.705   1.975  1.00  0.00           H  
ATOM     71  HB2 TYR     4       8.857   1.049   2.173  1.00  0.00           H  
ATOM     72  CG  TYR     4      10.376  -0.348   2.209  1.00  0.00           C  
ATOM     73  CD1 TYR     4       9.715  -1.458   2.723  1.00  0.00           C  
ATOM     74  HD1 TYR     4       8.885  -1.320   3.280  1.00  0.00           H  
ATOM     75  CE1 TYR     4      10.180  -2.731   2.491  1.00  0.00           C  
ATOM     76  HE1 TYR     4       9.684  -3.515   2.864  1.00  0.00           H  
ATOM     77  CZ  TYR     4      11.327  -2.923   1.743  1.00  0.00           C  
ATOM     78  OH  TYR     4      11.772  -4.218   1.542  1.00  0.00           O  
ATOM     79  HH  TYR     4      12.610  -4.203   0.992  1.00  0.00           H  
ATOM     80  CE2 TYR     4      12.014  -1.853   1.208  1.00  0.00           C  
ATOM     81  HE2 TYR     4      12.839  -1.981   0.671  1.00  0.00           H  
ATOM     82  CD2 TYR     4      11.514  -0.577   1.461  1.00  0.00           C  
ATOM     83  HD2 TYR     4      12.003   0.213   1.100  1.00  0.00           H  
ATOM     84  C   TYR     4      11.243   1.315   4.427  1.00  0.00           C  
ATOM     85  O   TYR     4      12.070   1.936   3.802  1.00  0.00           O  
ATOM     86  N   LYS     5      11.521   0.655   5.543  1.00  0.00           N  
ATOM     87  H   LYS     5      10.781   0.199   6.035  1.00  0.00           H  
ATOM     88  CA  LYS     5      12.876   0.577   6.081  1.00  0.00           C  
ATOM     89  HA  LYS     5      12.281   0.494   6.878  1.00  0.00           H  
ATOM     90  CB  LYS     5      13.785  -0.276   5.197  1.00  0.00           C  
ATOM     91  HB1 LYS     5      14.721  -0.237   5.566  1.00  0.00           H  
ATOM     92  HB2 LYS     5      13.789   0.102   4.269  1.00  0.00           H  
ATOM     93  CG  LYS     5      13.332  -1.733   5.137  1.00  0.00           C  
ATOM     94  HG1 LYS     5      12.361  -1.762   4.916  1.00  0.00           H  
ATOM     95  HG2 LYS     5      13.488  -2.151   6.036  1.00  0.00           H  
ATOM     96  CD  LYS     5      14.083  -2.545   4.102  1.00  0.00           C  
ATOM     97  HD1 LYS     5      15.065  -2.494   4.295  1.00  0.00           H  
ATOM     98  HD2 LYS     5      13.904  -2.160   3.193  1.00  0.00           H  
ATOM     99  CE  LYS     5      13.630  -4.001   4.136  1.00  0.00           C  
ATOM    100  HE1 LYS     5      12.631  -4.032   4.080  1.00  0.00           H  
ATOM    101  HE2 LYS     5      13.938  -4.414   4.984  1.00  0.00           H  
ATOM    102  NZ  LYS     5      14.180  -4.798   3.003  1.00  0.00           N  
ATOM    103  HZ1 LYS     5      13.857  -5.739   3.063  1.00  0.00           H  
ATOM    104  HZ2 LYS     5      13.886  -4.394   2.132  1.00  0.00           H  
ATOM    105  HZ3 LYS     5      15.182  -4.790   3.034  1.00  0.00           H  
ATOM    106  C   LYS     5      14.056   1.466   6.466  1.00  0.00           C  
ATOM    107  O   LYS     5      14.975   1.104   7.221  1.00  0.00           O  
ATOM    108  N   PHE     6      14.044   2.687   5.939  1.00  0.00           N  
ATOM    109  H   PHE     6      13.294   2.963   5.333  1.00  0.00           H  
ATOM    110  CA  PHE     6      15.159   3.608   6.256  1.00  0.00           C  
ATOM    111  HA  PHE     6      15.644   3.196   7.035  1.00  0.00           H  
ATOM    112  CB  PHE     6      16.298   3.863   5.272  1.00  0.00           C  
ATOM    113  HB1 PHE     6      15.905   4.040   4.370  1.00  0.00           H  
ATOM    114  HB2 PHE     6      16.875   3.045   5.224  1.00  0.00           H  
ATOM    115  CG  PHE     6      17.186   5.032   5.628  1.00  0.00           C  
ATOM    116  CD1 PHE     6      18.040   4.960   6.717  1.00  0.00           C  
ATOM    117  HD1 PHE     6      18.046   4.147   7.291  1.00  0.00           H  
ATOM    118  CE1 PHE     6      18.902   6.016   7.016  1.00  0.00           C  
ATOM    119  HE1 PHE     6      19.515   5.948   7.798  1.00  0.00           H  
ATOM    120  CZ  PHE     6      18.908   7.152   6.221  1.00  0.00           C  
ATOM    121  HZ  PHE     6      19.526   7.911   6.430  1.00  0.00           H  
ATOM    122  CE2 PHE     6      18.046   7.238   5.139  1.00  0.00           C  
ATOM    123  HE2 PHE     6      18.039   8.060   4.561  1.00  0.00           H  
ATOM    124  CD2 PHE     6      17.195   6.174   4.842  1.00  0.00           C  
ATOM    125  HD2 PHE     6      16.572   6.241   4.063  1.00  0.00           H  
ATOM    126  C   PHE     6      14.425   4.892   6.413  1.00  0.00           C  
ATOM    127  O   PHE     6      14.077   5.462   5.394  1.00  0.00           O  
ATOM    128  N   ASN     7      14.073   5.304   7.628  1.00  0.00           N  
ATOM    129  H   ASN     7      14.355   4.769   8.422  1.00  0.00           H  
ATOM    130  CA  ASN     7      13.296   6.516   7.839  1.00  0.00           C  
ATOM    131  HA  ASN     7      12.557   5.965   8.230  1.00  0.00           H  
ATOM    132  CB  ASN     7      14.130   7.557   8.619  1.00  0.00           C  
ATOM    133  HB1 ASN     7      14.702   8.076   7.978  1.00  0.00           H  
ATOM    134  HB2 ASN     7      14.705   7.083   9.284  1.00  0.00           H  
ATOM    135  CG  ASN     7      13.244   8.537   9.364  1.00  0.00           C  
ATOM    136  OD1 ASN     7      12.067   8.728   9.050  1.00  0.00           O  
ATOM    137  ND2 ASN     7      13.824   9.162  10.387  1.00  0.00           N  
ATOM    138 HD21 ASN     7      14.783   8.966  10.619  1.00  0.00           H  
ATOM    139 HD22 ASN     7      13.298   9.824  10.922  1.00  0.00           H  
ATOM    140  C   ASN     7      12.385   7.211   6.883  1.00  0.00           C  
ATOM    141  O   ASN     7      12.857   8.124   6.231  1.00  0.00           O  
ATOM    142  N   SER     8      11.154   6.753   6.700  1.00  0.00           N  
ATOM    143  H   SER     8      10.841   5.973   7.239  1.00  0.00           H  
ATOM    144  CA  SER     8      10.239   7.358   5.725  1.00  0.00           C  
ATOM    145  HA  SER     8       9.961   6.400   5.757  1.00  0.00           H  
ATOM    146  CB  SER     8       9.462   8.659   5.910  1.00  0.00           C  
ATOM    147  HB1 SER     8       8.648   8.670   5.343  1.00  0.00           H  
ATOM    148  HB2 SER     8      10.040   9.445   5.688  1.00  0.00           H  
ATOM    149  OG  SER     8       9.047   8.798   7.263  1.00  0.00           O  
ATOM    150  HG  SER     8       8.539   9.655   7.361  1.00  0.00           H  
ATOM    151  C   SER     8      10.570   8.172   4.519  1.00  0.00           C  
ATOM    152  O   SER     8      10.573   9.378   4.662  1.00  0.00           O  
ATOM    153  N   THR     9      10.951   7.566   3.404  1.00  0.00           N  
ATOM    154  H   THR     9      10.970   6.568   3.375  1.00  0.00           H  
ATOM    155  CA  THR     9      11.356   8.315   2.222  1.00  0.00           C  
ATOM    156  HA  THR     9      12.105   8.326   2.882  1.00  0.00           H  
ATOM    157  CB  THR     9      10.366   7.934   1.098  1.00  0.00           C  
ATOM    158  HB  THR     9      10.756   8.120   0.202  1.00  0.00           H  
ATOM    159  CG2 THR     9       9.971   6.473   1.212  1.00  0.00           C  
ATOM    160 HG21 THR     9       9.334   6.237   0.489  1.00  0.00           H  
ATOM    161 HG22 THR     9      10.797   5.896   1.140  1.00  0.00           H  
ATOM    162 HG23 THR     9       9.538   6.312   2.107  1.00  0.00           H  
ATOM    163  OG1 THR     9       9.185   8.741   1.202  1.00  0.00           O  
ATOM    164  HG1 THR     9       8.546   8.492   0.475  1.00  0.00           H  
ATOM    165  C   THR     9      12.291   9.432   1.772  1.00  0.00           C  
ATOM    166  O   THR     9      12.638   9.616   0.593  1.00  0.00           O  
ATOM    167  N   GLY    10      12.733  10.221   2.747  1.00  0.00           N  
ATOM    168  H   GLY    10      12.447  10.062   3.702  1.00  0.00           H  
ATOM    169  CA  GLY    10      13.640  11.338   2.401  1.00  0.00           C  
ATOM    170  HA1 GLY    10      13.124  12.182   2.569  1.00  0.00           H  
ATOM    171  HA2 GLY    10      13.817  11.255   1.415  1.00  0.00           H  
ATOM    172  C   GLY    10      14.998  11.496   3.093  1.00  0.00           C  
ATOM    173  O   GLY    10      15.687  12.521   3.034  1.00  0.00           O  
ATOM    174  N   ARG    11      15.389  10.434   3.790  1.00  0.00           N  
ATOM    175  H   ARG    11      14.825   9.618   3.833  1.00  0.00           H  
ATOM    176  CA  ARG    11      16.695  10.505   4.510  1.00  0.00           C  
ATOM    177  HA  ARG    11      17.274  11.259   4.224  1.00  0.00           H  
ATOM    178  CB  ARG    11      16.377  10.534   6.013  1.00  0.00           C  
ATOM    179  HB1 ARG    11      17.239  10.541   6.507  1.00  0.00           H  
ATOM    180  HB2 ARG    11      15.864   9.706   6.238  1.00  0.00           H  
ATOM    181  CG  ARG    11      15.547  11.735   6.474  1.00  0.00           C  
ATOM    182  HG1 ARG    11      14.684  11.750   5.979  1.00  0.00           H  
ATOM    183  HG2 ARG    11      16.052  12.582   6.289  1.00  0.00           H  
ATOM    184  CD  ARG    11      15.272  11.644   7.970  1.00  0.00           C  
ATOM    185  HD1 ARG    11      16.137  11.620   8.469  1.00  0.00           H  
ATOM    186  HD2 ARG    11      14.756  10.806   8.153  1.00  0.00           H  
ATOM    187  NE  ARG    11      14.493  12.759   8.510  1.00  0.00           N  
ATOM    188  HE  ARG    11      13.511  12.607   8.684  1.00  0.00           H  
ATOM    189  CZ  ARG    11      14.987  13.963   8.795  1.00  0.00           C  
ATOM    190  NH1 ARG    11      16.270  14.223   8.584  1.00  0.00           N  
ATOM    191 HH11 ARG    11      16.873  13.521   8.214  1.00  0.00           H  
ATOM    192 HH12 ARG    11      16.632  15.139   8.799  1.00  0.00           H  
ATOM    193  NH2 ARG    11      14.195  14.893   9.312  1.00  0.00           N  
ATOM    194 HH21 ARG    11      13.237  14.693   9.493  1.00  0.00           H  
ATOM    195 HH22 ARG    11      14.568  15.801   9.529  1.00  0.00           H  
ATOM    196  C   ARG    11      17.219   9.131   4.257  1.00  0.00           C  
ATOM    197  O   ARG    11      16.743   8.227   4.929  1.00  0.00           O  
ATOM    198  N   HIS    12      18.073   8.929   3.264  1.00  0.00           N  
ATOM    199  H   HIS    12      18.387   9.709   2.725  1.00  0.00           H  
ATOM    200  CA  HIS    12      18.558   7.597   2.928  1.00  0.00           C  
ATOM    201  HA  HIS    12      18.650   8.113   2.084  1.00  0.00           H  
ATOM    202  CB  HIS    12      19.417   6.997   4.049  1.00  0.00           C  
ATOM    203  HB1 HIS    12      19.765   6.100   3.751  1.00  0.00           H  
ATOM    204  HB2 HIS    12      18.849   6.871   4.861  1.00  0.00           H  
ATOM    205  CG  HIS    12      20.590   7.850   4.409  1.00  0.00           C  
ATOM    206  ND1 HIS    12      21.124   7.900   5.687  1.00  0.00           N  
ATOM    207  CE1 HIS    12      22.121   8.767   5.714  1.00  0.00           C  
ATOM    208  HE1 HIS    12      22.668   8.988   6.510  1.00  0.00           H  
ATOM    209  NE2 HIS    12      22.258   9.279   4.502  1.00  0.00           N  
ATOM    210  HE2 HIS    12      22.931   9.960   4.237  1.00  0.00           H  
ATOM    211  CD2 HIS    12      21.310   8.726   3.675  1.00  0.00           C  
ATOM    212  HD2 HIS    12      21.188   8.919   2.700  1.00  0.00           H  
ATOM    213  C   HIS    12      18.072   6.178   2.618  1.00  0.00           C  
ATOM    214  O   HIS    12      18.745   5.328   2.034  1.00  0.00           O  
ATOM    215  N   TYR    13      16.827   5.923   3.005  1.00  0.00           N  
ATOM    216  H   TYR    13      16.281   6.619   3.479  1.00  0.00           H  
ATOM    217  CA  TYR    13      16.275   4.565   2.753  1.00  0.00           C  
ATOM    218  HA  TYR    13      16.816   3.757   2.534  1.00  0.00           H  
ATOM    219  CB  TYR    13      16.701   3.111   2.922  1.00  0.00           C  
ATOM    220  HB1 TYR    13      15.894   2.526   2.794  1.00  0.00           H  
ATOM    221  HB2 TYR    13      17.057   2.983   3.844  1.00  0.00           H  
ATOM    222  CG  TYR    13      17.749   2.651   1.951  1.00  0.00           C  
ATOM    223  CD1 TYR    13      17.412   2.339   0.639  1.00  0.00           C  
ATOM    224  HD1 TYR    13      16.464   2.435   0.340  1.00  0.00           H  
ATOM    225  CE1 TYR    13      18.371   1.891  -0.250  1.00  0.00           C  
ATOM    226  HE1 TYR    13      18.111   1.673  -1.199  1.00  0.00           H  
ATOM    227  CZ  TYR    13      19.674   1.751   0.161  1.00  0.00           C  
ATOM    228  OH  TYR    13      20.608   1.280  -0.742  1.00  0.00           O  
ATOM    229  HH  TYR    13      21.498   1.233  -0.298  1.00  0.00           H  
ATOM    230  CE2 TYR    13      20.050   2.064   1.461  1.00  0.00           C  
ATOM    231  HE2 TYR    13      20.994   1.963   1.751  1.00  0.00           H  
ATOM    232  CD2 TYR    13      19.081   2.512   2.353  1.00  0.00           C  
ATOM    233  HD2 TYR    13      19.337   2.734   3.290  1.00  0.00           H  
ATOM    234  C   TYR    13      14.837   5.335   2.496  1.00  0.00           C  
ATOM    235  O   TYR    13      14.360   6.226   3.196  1.00  0.00           O  
ATOM    236  N   HIS    14      14.291   4.946   1.341  1.00  0.00           N  
ATOM    237  H   HIS    14      14.760   4.167   0.913  1.00  0.00           H  
ATOM    238  CA  HIS    14      13.218   5.407   0.640  1.00  0.00           C  
ATOM    239  HA  HIS    14      12.542   5.939   1.153  1.00  0.00           H  
ATOM    240  CB  HIS    14      13.410   6.688  -0.189  1.00  0.00           C  
ATOM    241  HB1 HIS    14      13.690   7.425   0.427  1.00  0.00           H  
ATOM    242  HB2 HIS    14      12.540   6.914  -0.621  1.00  0.00           H  
ATOM    243  CG  HIS    14      14.442   6.566  -1.272  1.00  0.00           C  
ATOM    244  ND1 HIS    14      15.780   6.840  -1.068  1.00  0.00           N  
ATOM    245  CE1 HIS    14      16.441   6.646  -2.195  1.00  0.00           C  
ATOM    246  HE1 HIS    14      17.430   6.768  -2.318  1.00  0.00           H  
ATOM    247  NE2 HIS    14      15.580   6.264  -3.122  1.00  0.00           N  
ATOM    248  HE2 HIS    14      15.816   6.041  -4.073  1.00  0.00           H  
ATOM    249  CD2 HIS    14      14.319   6.208  -2.580  1.00  0.00           C  
ATOM    250  HD2 HIS    14      13.483   5.947  -3.047  1.00  0.00           H  
ATOM    251  C   HIS    14      12.844   3.895   0.120  1.00  0.00           C  
ATOM    252  O   HIS    14      13.593   3.109  -0.452  1.00  0.00           O  
ATOM    253  N   TYR    15      11.605   3.554   0.517  1.00  0.00           N  
ATOM    254  H   TYR    15      11.088   4.305   0.928  1.00  0.00           H  
ATOM    255  CA  TYR    15      10.935   2.376   0.465  1.00  0.00           C  
ATOM    256  HA  TYR    15      11.554   1.894  -0.153  1.00  0.00           H  
ATOM    257  CB  TYR    15      10.849   1.249   1.494  1.00  0.00           C  
ATOM    258  HB1 TYR    15      10.387   1.601   2.314  1.00  0.00           H  
ATOM    259  HB2 TYR    15      11.774   0.964   1.740  1.00  0.00           H  
ATOM    260  CG  TYR    15      10.097   0.029   1.004  1.00  0.00           C  
ATOM    261  CD1 TYR    15      10.630  -0.696  -0.046  1.00  0.00           C  
ATOM    262  HD1 TYR    15      11.481  -0.401  -0.472  1.00  0.00           H  
ATOM    263  CE1 TYR    15       9.996  -1.819  -0.522  1.00  0.00           C  
ATOM    264  HE1 TYR    15      10.390  -2.333  -1.277  1.00  0.00           H  
ATOM    265  CZ  TYR    15       8.804  -2.248   0.041  1.00  0.00           C  
ATOM    266  OH  TYR    15       8.177  -3.367  -0.476  1.00  0.00           O  
ATOM    267  HH  TYR    15       7.340  -3.539   0.032  1.00  0.00           H  
ATOM    268  CE2 TYR    15       8.240  -1.551   1.092  1.00  0.00           C  
ATOM    269  HE2 TYR    15       7.376  -1.842   1.509  1.00  0.00           H  
ATOM    270  CD2 TYR    15       8.911  -0.419   1.551  1.00  0.00           C  
ATOM    271  HD2 TYR    15       8.507   0.095   2.309  1.00  0.00           H  
ATOM    272  C   TYR    15       9.664   2.861   0.052  1.00  0.00           C  
ATOM    273  O   TYR    15       8.971   3.443   0.899  1.00  0.00           O  
ATOM    274  N   TYR    16       9.271   2.638  -1.197  1.00  0.00           N  
ATOM    275  H   TYR    16       9.843   2.127  -1.832  1.00  0.00           H  
ATOM    276  CA  TYR    16       7.881   3.222  -1.640  1.00  0.00           C  
ATOM    277  HA  TYR    16       7.323   3.698  -0.967  1.00  0.00           H  
ATOM    278  CB  TYR    16       7.902   4.327  -2.708  1.00  0.00           C  
ATOM    279  HB1 TYR    16       6.968   4.509  -3.023  1.00  0.00           H  
ATOM    280  HB2 TYR    16       8.461   4.038  -3.486  1.00  0.00           H  
ATOM    281  CG  TYR    16       8.497   5.589  -2.119  1.00  0.00           C  
ATOM    282  CD1 TYR    16       7.681   6.521  -1.452  1.00  0.00           C  
ATOM    283  HD1 TYR    16       6.705   6.363  -1.385  1.00  0.00           H  
ATOM    284  CE1 TYR    16       8.251   7.665  -0.884  1.00  0.00           C  
ATOM    285  HE1 TYR    16       7.681   8.343  -0.415  1.00  0.00           H  
ATOM    286  CZ  TYR    16       9.613   7.845  -0.992  1.00  0.00           C  
ATOM    287  OH  TYR    16      10.280   8.925  -0.455  1.00  0.00           O  
ATOM    288  HH  TYR    16      11.259   8.834  -0.658  1.00  0.00           H  
ATOM    289  CE2 TYR    16      10.405   6.921  -1.632  1.00  0.00           C  
ATOM    290  HE2 TYR    16      11.390   7.079  -1.703  1.00  0.00           H  
ATOM    291  CD2 TYR    16       9.859   5.774  -2.194  1.00  0.00           C  
ATOM    292  HD2 TYR    16      10.443   5.106  -2.649  1.00  0.00           H  
ATOM    293  C   TYR    16       7.301   1.973  -2.027  1.00  0.00           C  
ATOM    294  OC1 TYR    16       6.199   1.574  -1.415  1.00  0.00           O  
ATOM    295  OC2 TYR    16       7.872   1.342  -2.927  1.00  0.00           O  
TER     296      TYR    16                                                       
END