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--- a
+++ b/tests/data/pdb/4bfq_pocket.pdb
@@ -0,0 +1,904 @@
+ATOM      1  N   ASP A  87      27.151  10.396  30.124  1.00 27.78           N  
+ATOM      2  CA  ASP A  87      26.597   9.222  30.829  1.00 26.59           C  
+ATOM      3  C   ASP A  87      25.470   9.595  31.816  1.00 24.60           C  
+ATOM      4  O   ASP A  87      25.521   9.236  33.003  1.00 24.44           O  
+ATOM      5  CB  ASP A  87      27.722   8.503  31.589  1.00 27.97           C  
+ATOM      6  CG  ASP A  87      28.283   9.335  32.740  1.00 31.44           C  
+ATOM      7  OD1 ASP A  87      28.392  10.575  32.576  1.00 31.97           O  
+ATOM      8  OD2 ASP A  87      28.592   8.753  33.810  1.00 35.74           O  
+ATOM      9  N   ILE A  88      24.468  10.325  31.336  1.00 22.59           N  
+ATOM     10  CA  ILE A  88      23.365  10.764  32.203  1.00 22.68           C  
+ATOM     11  C   ILE A  88      22.505   9.567  32.550  1.00 23.65           C  
+ATOM     12  O   ILE A  88      22.077   8.846  31.669  1.00 27.94           O  
+ATOM     13  CB  ILE A  88      22.472  11.806  31.529  1.00 22.35           C  
+ATOM     14  CG1 ILE A  88      23.288  13.041  31.114  1.00 23.78           C  
+ATOM     15  CG2 ILE A  88      21.355  12.220  32.472  1.00 25.91           C  
+ATOM     16  CD1 ILE A  88      24.170  13.597  32.220  1.00 22.80           C  
+ATOM     17  N   THR A  89      22.254   9.364  33.834  1.00 24.05           N  
+ATOM     18  CA  THR A  89      21.564   8.178  34.311  1.00 21.51           C  
+ATOM     19  C   THR A  89      20.491   8.553  35.312  1.00 20.74           C  
+ATOM     20  O   THR A  89      20.698   9.443  36.128  1.00 22.85           O  
+ATOM     21  CB  THR A  89      22.557   7.275  35.044  1.00 22.42           C  
+ATOM     22  OG1 THR A  89      23.720   7.113  34.233  1.00 23.90           O  
+ATOM     23  CG2 THR A  89      21.916   5.902  35.361  1.00 21.98           C  
+ATOM     24  N   ALA A  90      19.361   7.853  35.272  1.00 18.50           N  
+ATOM     25  CA  ALA A  90      18.369   7.943  36.337  1.00 18.14           C  
+ATOM     26  C   ALA A  90      18.988   7.276  37.557  1.00 19.86           C  
+ATOM     27  O   ALA A  90      19.553   6.196  37.456  1.00 21.52           O  
+ATOM     28  CB  ALA A  90      17.076   7.249  35.941  1.00 16.17           C  
+ATOM     29  N   TYR A  91      18.942   7.934  38.705  1.00 20.37           N  
+ATOM     30  CA  TYR A  91      19.574   7.390  39.903  1.00 20.51           C  
+ATOM     31  C   TYR A  91      18.700   6.414  40.670  1.00 21.71           C  
+ATOM     32  O   TYR A  91      19.156   5.828  41.646  1.00 22.29           O  
+ATOM     33  CB  TYR A  91      19.982   8.531  40.844  1.00 21.65           C  
+ATOM     34  CG  TYR A  91      21.134   9.387  40.358  1.00 22.41           C  
+ATOM     35  CD1 TYR A  91      21.968   8.960  39.338  1.00 21.25           C  
+ATOM     36  CD2 TYR A  91      21.426  10.609  40.981  1.00 23.35           C  
+ATOM     37  CE1 TYR A  91      23.034   9.721  38.941  1.00 22.76           C  
+ATOM     38  CE2 TYR A  91      22.499  11.380  40.582  1.00 22.99           C  
+ATOM     39  CZ  TYR A  91      23.298  10.920  39.570  1.00 23.41           C  
+ATOM     40  OH  TYR A  91      24.366  11.656  39.154  1.00 25.47           O  
+ATOM     41  N   SER A  92      17.435   6.251  40.283  1.00 20.85           N  
+ATOM     42  CA  SER A  92      16.555   5.372  41.043  1.00 20.63           C  
+ATOM     43  C   SER A  92      15.739   4.460  40.137  1.00 20.08           C  
+ATOM     44  O   SER A  92      14.614   4.106  40.443  1.00 21.34           O  
+ATOM     45  CB  SER A  92      15.658   6.196  41.970  1.00 22.30           C  
+ATOM     46  OG  SER A  92      14.875   7.125  41.238  1.00 22.55           O  
+ATOM     47  N   SER A  93      16.335   4.037  39.034  1.00 20.49           N  
+ATOM     48  CA  SER A  93      15.694   3.085  38.149  1.00 20.87           C  
+ATOM     49  C   SER A  93      15.688   1.705  38.793  1.00 20.70           C  
+ATOM     50  O   SER A  93      16.519   1.406  39.642  1.00 21.76           O  
+ATOM     51  CB  SER A  93      16.445   3.000  36.823  1.00 21.06           C  
+ATOM     52  OG  SER A  93      17.705   2.408  37.059  1.00 21.36           O  
+ATOM     53  N   MET A 124      11.635   4.046  41.203  1.00 25.50           N  
+ATOM     54  CA  MET A 124      11.025   3.807  42.499  1.00 28.05           C  
+ATOM     55  C   MET A 124      10.062   4.931  42.858  1.00 28.81           C  
+ATOM     56  O   MET A 124      10.440   6.094  42.871  1.00 29.22           O  
+ATOM     57  CB  MET A 124      12.103   3.699  43.548  1.00 29.89           C  
+ATOM     58  CG  MET A 124      13.082   2.575  43.264  1.00 28.82           C  
+ATOM     59  SD  MET A 124      14.559   2.739  44.247  1.00 29.59           S  
+ATOM     60  CE  MET A 124      15.751   1.837  43.212  1.00 29.44           C  
+ATOM     61  N   ALA A 139       9.657  11.502  42.383  1.00 32.05           N  
+ATOM     62  CA  ALA A 139      10.803  12.206  41.866  1.00 27.88           C  
+ATOM     63  C   ALA A 139      11.850  11.205  41.421  1.00 26.67           C  
+ATOM     64  O   ALA A 139      11.951  10.104  41.942  1.00 28.02           O  
+ATOM     65  CB  ALA A 139      11.367  13.134  42.928  1.00 26.35           C  
+ATOM     66  N   VAL A 140      12.628  11.584  40.430  1.00 24.68           N  
+ATOM     67  CA  VAL A 140      13.755  10.781  40.034  1.00 23.31           C  
+ATOM     68  C   VAL A 140      14.860  11.750  39.647  1.00 22.56           C  
+ATOM     69  O   VAL A 140      14.625  12.740  38.950  1.00 22.36           O  
+ATOM     70  CB  VAL A 140      13.384   9.803  38.901  1.00 23.22           C  
+ATOM     71  CG1 VAL A 140      12.460  10.489  37.901  1.00 22.94           C  
+ATOM     72  CG2 VAL A 140      14.645   9.207  38.247  1.00 21.32           C  
+ATOM     73  N   LYS A 141      16.049  11.481  40.149  1.00 21.90           N  
+ATOM     74  CA  LYS A 141      17.187  12.322  39.892  1.00 22.05           C  
+ATOM     75  C   LYS A 141      17.931  11.768  38.705  1.00 20.33           C  
+ATOM     76  O   LYS A 141      18.100  10.548  38.571  1.00 21.20           O  
+ATOM     77  CB  LYS A 141      18.110  12.365  41.113  1.00 23.63           C  
+ATOM     78  CG  LYS A 141      17.490  12.986  42.349  1.00 26.17           C  
+ATOM     79  CD  LYS A 141      18.493  13.139  43.492  1.00 29.97           C  
+ATOM     80  CE  LYS A 141      17.787  13.358  44.875  1.00 33.08           C  
+ATOM     81  NZ  LYS A 141      18.518  14.374  45.681  1.00 38.59           N  
+ATOM     82  N   PHE A 142      18.388  12.664  37.843  1.00 19.60           N  
+ATOM     83  CA  PHE A 142      19.277  12.297  36.747  1.00 18.22           C  
+ATOM     84  C   PHE A 142      20.606  13.020  36.910  1.00 17.82           C  
+ATOM     85  O   PHE A 142      20.636  14.209  37.237  1.00 18.02           O  
+ATOM     86  CB  PHE A 142      18.691  12.734  35.407  1.00 17.58           C  
+ATOM     87  CG  PHE A 142      17.467  12.000  35.014  1.00 18.49           C  
+ATOM     88  CD1 PHE A 142      16.241  12.337  35.557  1.00 19.85           C  
+ATOM     89  CD2 PHE A 142      17.524  10.971  34.103  1.00 18.56           C  
+ATOM     90  CE1 PHE A 142      15.098  11.663  35.186  1.00 20.10           C  
+ATOM     91  CE2 PHE A 142      16.374  10.280  33.750  1.00 18.53           C  
+ATOM     92  CZ  PHE A 142      15.169  10.623  34.291  1.00 18.68           C  
+ATOM     93  N   GLY A 143      21.690  12.328  36.597  1.00 16.73           N  
+ATOM     94  CA  GLY A 143      22.994  12.937  36.625  1.00 17.46           C  
+ATOM     95  C   GLY A 143      24.015  11.993  36.059  1.00 17.26           C  
+ATOM     96  O   GLY A 143      23.699  10.859  35.685  1.00 17.38           O  
+ATOM     97  N   SER A 144      25.246  12.465  35.973  1.00 17.81           N  
+ATOM     98  CA  SER A 144      26.336  11.631  35.505  1.00 17.86           C  
+ATOM     99  C   SER A 144      26.572  10.555  36.535  1.00 18.58           C  
+ATOM    100  O   SER A 144      26.345  10.754  37.732  1.00 19.36           O  
+ATOM    101  CB  SER A 144      27.599  12.437  35.356  1.00 18.91           C  
+ATOM    102  OG  SER A 144      28.681  11.559  35.060  1.00 19.69           O  
+ATOM    103  N   TRP A 145      27.004   9.402  36.065  1.00 18.47           N  
+ATOM    104  CA  TRP A 145      27.309   8.300  36.949  1.00 18.51           C  
+ATOM    105  C   TRP A 145      28.735   8.378  37.424  1.00 19.30           C  
+ATOM    106  O   TRP A 145      29.022   8.068  38.585  1.00 21.85           O  
+ATOM    107  CB  TRP A 145      27.060   6.985  36.232  1.00 17.70           C  
+ATOM    108  CG  TRP A 145      27.085   5.833  37.171  1.00 18.36           C  
+ATOM    109  CD1 TRP A 145      28.068   4.850  37.288  1.00 18.26           C  
+ATOM    110  CD2 TRP A 145      26.087   5.517  38.185  1.00 17.91           C  
+ATOM    111  NE1 TRP A 145      27.748   3.987  38.293  1.00 19.34           N  
+ATOM    112  CE2 TRP A 145      26.561   4.327  38.864  1.00 18.94           C  
+ATOM    113  CE3 TRP A 145      24.904   6.085  38.579  1.00 18.82           C  
+ATOM    114  CZ2 TRP A 145      25.850   3.736  39.897  1.00 20.18           C  
+ATOM    115  CZ3 TRP A 145      24.179   5.485  39.633  1.00 19.45           C  
+ATOM    116  CH2 TRP A 145      24.645   4.341  40.276  1.00 19.80           C  
+ATOM    117  N   VAL A 146      29.638   8.814  36.566  1.00 18.69           N  
+ATOM    118  CA  VAL A 146      31.066   8.802  36.912  1.00 20.35           C  
+ATOM    119  C   VAL A 146      31.737  10.171  36.974  1.00 21.17           C  
+ATOM    120  O   VAL A 146      32.861  10.265  37.443  1.00 22.09           O  
+ATOM    121  CB  VAL A 146      31.889   7.957  35.899  1.00 20.53           C  
+ATOM    122  CG1 VAL A 146      31.484   6.468  35.927  1.00 19.74           C  
+ATOM    123  CG2 VAL A 146      31.725   8.554  34.507  1.00 19.57           C  
+ATOM    124  N   TYR A 147      31.081  11.216  36.476  1.00 21.32           N  
+ATOM    125  CA  TYR A 147      31.678  12.556  36.464  1.00 22.58           C  
+ATOM    126  C   TYR A 147      31.067  13.432  37.546  1.00 23.21           C  
+ATOM    127  O   TYR A 147      29.850  13.509  37.689  1.00 23.15           O  
+ATOM    128  CB  TYR A 147      31.484  13.236  35.101  1.00 22.18           C  
+ATOM    129  CG  TYR A 147      32.308  12.645  33.975  1.00 22.78           C  
+ATOM    130  CD1 TYR A 147      33.668  12.906  33.864  1.00 24.77           C  
+ATOM    131  CD2 TYR A 147      31.725  11.843  33.023  1.00 22.64           C  
+ATOM    132  CE1 TYR A 147      34.422  12.371  32.828  1.00 25.19           C  
+ATOM    133  CE2 TYR A 147      32.462  11.300  31.995  1.00 23.22           C  
+ATOM    134  CZ  TYR A 147      33.804  11.561  31.904  1.00 24.52           C  
+ATOM    135  OH  TYR A 147      34.501  11.000  30.872  1.00 26.44           O  
+ATOM    136  N   SER A 148      31.915  14.104  38.298  1.00 24.23           N  
+ATOM    137  CA  SER A 148      31.458  15.054  39.288  1.00 25.09           C  
+ATOM    138  C   SER A 148      31.144  16.374  38.601  1.00 25.14           C  
+ATOM    139  O   SER A 148      31.322  16.527  37.392  1.00 23.80           O  
+ATOM    140  CB  SER A 148      32.549  15.265  40.342  1.00 27.53           C  
+ATOM    141  OG  SER A 148      33.517  16.226  39.895  1.00 28.25           O  
+ATOM    142  N   GLY A 149      30.696  17.334  39.397  1.00 26.54           N  
+ATOM    143  CA  GLY A 149      30.473  18.695  38.914  1.00 28.68           C  
+ATOM    144  C   GLY A 149      31.714  19.429  38.435  1.00 30.32           C  
+ATOM    145  O   GLY A 149      31.595  20.434  37.744  1.00 32.01           O  
+ATOM    146  N   PHE A 150      32.905  18.947  38.795  1.00 32.82           N  
+ATOM    147  CA  PHE A 150      34.132  19.536  38.255  1.00 34.44           C  
+ATOM    148  C   PHE A 150      34.323  19.197  36.783  1.00 33.71           C  
+ATOM    149  O   PHE A 150      35.055  19.894  36.087  1.00 36.54           O  
+ATOM    150  CB  PHE A 150      35.384  19.085  39.039  1.00 35.92           C  
+ATOM    151  CG  PHE A 150      35.575  19.753  40.370  1.00 38.77           C  
+ATOM    152  CD1 PHE A 150      35.050  21.023  40.629  1.00 40.33           C  
+ATOM    153  CD2 PHE A 150      36.338  19.122  41.373  1.00 40.51           C  
+ATOM    154  CE1 PHE A 150      35.249  21.612  41.866  1.00 42.25           C  
+ATOM    155  CE2 PHE A 150      36.544  19.723  42.608  1.00 42.85           C  
+ATOM    156  CZ  PHE A 150      35.995  20.971  42.852  1.00 45.01           C  
+ATOM    157  N   GLU A 151      33.706  18.117  36.309  1.00 32.83           N  
+ATOM    158  CA  GLU A 151      33.882  17.684  34.918  1.00 34.34           C  
+ATOM    159  C   GLU A 151      32.631  17.905  34.068  1.00 32.23           C  
+ATOM    160  O   GLU A 151      32.717  18.399  32.947  1.00 32.31           O  
+ATOM    161  CB  GLU A 151      34.305  16.213  34.858  1.00 37.88           C  
+ATOM    162  CG  GLU A 151      35.668  15.908  35.488  1.00 42.39           C  
+ATOM    163  CD  GLU A 151      35.597  15.327  36.907  1.00 47.14           C  
+ATOM    164  OE1 GLU A 151      34.544  14.783  37.320  1.00 52.95           O  
+ATOM    165  OE2 GLU A 151      36.616  15.404  37.622  1.00 53.41           O  
+ATOM    166  N   ILE A 152      31.476  17.549  34.603  1.00 31.16           N  
+ATOM    167  CA  ILE A 152      30.223  17.779  33.913  1.00 30.51           C  
+ATOM    168  C   ILE A 152      29.289  18.603  34.793  1.00 31.20           C  
+ATOM    169  O   ILE A 152      28.876  18.158  35.854  1.00 33.69           O  
+ATOM    170  CB  ILE A 152      29.544  16.452  33.528  1.00 29.27           C  
+ATOM    171  CG1 ILE A 152      30.407  15.707  32.499  1.00 29.74           C  
+ATOM    172  CG2 ILE A 152      28.139  16.705  32.994  1.00 26.53           C  
+ATOM    173  CD1 ILE A 152      29.719  14.527  31.862  1.00 30.83           C  
+ATOM    174  N   ASP A 153      28.966  19.806  34.334  1.00 32.41           N  
+ATOM    175  CA  ASP A 153      27.971  20.654  34.976  1.00 33.17           C  
+ATOM    176  C   ASP A 153      26.619  20.411  34.285  1.00 30.22           C  
+ATOM    177  O   ASP A 153      26.535  20.366  33.081  1.00 30.82           O  
+ATOM    178  CB  ASP A 153      28.376  22.121  34.833  1.00 36.40           C  
+ATOM    179  CG  ASP A 153      27.538  23.063  35.700  1.00 42.26           C  
+ATOM    180  OD1 ASP A 153      26.767  22.596  36.566  1.00 42.13           O  
+ATOM    181  OD2 ASP A 153      27.669  24.296  35.522  1.00 49.27           O  
+ATOM    182  N   LEU A 154      25.557  20.258  35.042  1.00 30.44           N  
+ATOM    183  CA  LEU A 154      24.227  20.100  34.449  1.00 29.55           C  
+ATOM    184  C   LEU A 154      23.461  21.376  34.598  1.00 32.92           C  
+ATOM    185  O   LEU A 154      23.660  22.099  35.561  1.00 41.70           O  
+ATOM    186  CB  LEU A 154      23.445  19.024  35.158  1.00 27.22           C  
+ATOM    187  CG  LEU A 154      23.896  17.582  34.945  1.00 25.61           C  
+ATOM    188  CD1 LEU A 154      22.811  16.676  35.498  1.00 26.59           C  
+ATOM    189  CD2 LEU A 154      24.246  17.279  33.509  1.00 26.37           C  
+ATOM    190  N   THR A 180      14.614  20.387  38.033  1.00 30.91           N  
+ATOM    191  CA  THR A 180      15.367  21.342  38.803  1.00 32.59           C  
+ATOM    192  C   THR A 180      16.771  20.859  39.034  1.00 31.39           C  
+ATOM    193  O   THR A 180      16.984  19.734  39.476  1.00 31.62           O  
+ATOM    194  CB  THR A 180      14.708  21.513  40.180  1.00 36.13           C  
+ATOM    195  OG1 THR A 180      13.295  21.544  40.007  1.00 39.41           O  
+ATOM    196  CG2 THR A 180      15.183  22.793  40.871  1.00 37.94           C  
+ATOM    197  N   ARG A 181      17.721  21.740  38.769  1.00 30.69           N  
+ATOM    198  CA  ARG A 181      19.113  21.497  39.057  1.00 30.72           C  
+ATOM    199  C   ARG A 181      19.331  21.550  40.561  1.00 30.43           C  
+ATOM    200  O   ARG A 181      18.782  22.408  41.228  1.00 32.01           O  
+ATOM    201  CB  ARG A 181      19.932  22.576  38.384  1.00 30.38           C  
+ATOM    202  CG  ARG A 181      21.419  22.502  38.620  1.00 32.27           C  
+ATOM    203  CD  ARG A 181      22.064  23.598  37.804  1.00 32.78           C  
+ATOM    204  NE  ARG A 181      23.515  23.584  37.852  1.00 33.10           N  
+ATOM    205  CZ  ARG A 181      24.252  24.222  38.745  1.00 34.47           C  
+ATOM    206  NH1 ARG A 181      23.686  24.902  39.721  1.00 35.45           N  
+ATOM    207  NH2 ARG A 181      25.572  24.145  38.656  1.00 36.14           N  
+ATOM    208  N   GLN A 182      20.104  20.607  41.088  1.00 30.07           N  
+ATOM    209  CA  GLN A 182      20.482  20.590  42.499  1.00 30.92           C  
+ATOM    210  C   GLN A 182      21.988  20.411  42.592  1.00 30.72           C  
+ATOM    211  O   GLN A 182      22.562  19.606  41.868  1.00 30.87           O  
+ATOM    212  CB  GLN A 182      19.809  19.437  43.221  1.00 31.56           C  
+ATOM    213  CG  GLN A 182      18.303  19.572  43.308  1.00 36.33           C  
+ATOM    214  CD  GLN A 182      17.624  18.338  43.921  1.00 42.49           C  
+ATOM    215  OE1 GLN A 182      18.063  17.207  43.730  1.00 42.14           O  
+ATOM    216  NE2 GLN A 182      16.538  18.564  44.671  1.00 43.60           N  
+ATOM    217  N   VAL A 183      22.629  21.157  43.477  1.00 31.15           N  
+ATOM    218  CA  VAL A 183      24.042  20.972  43.742  1.00 31.22           C  
+ATOM    219  C   VAL A 183      24.225  20.515  45.184  1.00 33.08           C  
+ATOM    220  O   VAL A 183      23.645  21.105  46.098  1.00 35.69           O  
+ATOM    221  CB  VAL A 183      24.829  22.273  43.489  1.00 31.23           C  
+ATOM    222  CG1 VAL A 183      26.319  22.039  43.668  1.00 30.43           C  
+ATOM    223  CG2 VAL A 183      24.514  22.849  42.112  1.00 30.64           C  
+ATOM    224  N   GLN A 184      24.998  19.449  45.391  1.00 33.94           N  
+ATOM    225  CA  GLN A 184      25.310  19.019  46.747  1.00 36.66           C  
+ATOM    226  C   GLN A 184      26.804  18.880  46.955  1.00 35.51           C  
+ATOM    227  O   GLN A 184      27.530  18.408  46.085  1.00 32.82           O  
+ATOM    228  CB  GLN A 184      24.536  17.783  47.190  1.00 41.24           C  
+ATOM    229  CG  GLN A 184      23.092  18.133  47.490  1.00 49.06           C  
+ATOM    230  CD  GLN A 184      22.176  16.981  47.267  1.00 53.05           C  
+ATOM    231  OE1 GLN A 184      22.282  15.999  47.959  1.00 60.49           O  
+ATOM    232  NE2 GLN A 184      21.271  17.094  46.297  1.00 57.58           N  
+ATOM    233  N   HIS A 185      27.248  19.341  48.114  1.00 35.85           N  
+ATOM    234  CA  HIS A 185      28.607  19.102  48.575  1.00 36.76           C  
+ATOM    235  C   HIS A 185      28.553  18.202  49.762  1.00 35.11           C  
+ATOM    236  O   HIS A 185      27.567  18.185  50.486  1.00 34.91           O  
+ATOM    237  CB  HIS A 185      29.280  20.410  48.934  1.00 39.14           C  
+ATOM    238  CG  HIS A 185      29.721  21.227  47.748  1.00 40.27           C  
+ATOM    239  ND1 HIS A 185      28.957  22.189  47.217  1.00 41.72           N  
+ATOM    240  CD2 HIS A 185      30.908  21.223  47.023  1.00 41.65           C  
+ATOM    241  CE1 HIS A 185      29.604  22.768  46.192  1.00 43.63           C  
+ATOM    242  NE2 HIS A 185      30.806  22.173  46.073  1.00 43.73           N  
+ATOM    243  N   TYR A 186      29.601  17.420  49.966  1.00 35.79           N  
+ATOM    244  CA  TYR A 186      29.734  16.609  51.196  1.00 36.63           C  
+ATOM    245  C   TYR A 186      30.920  17.098  51.997  1.00 37.04           C  
+ATOM    246  O   TYR A 186      31.846  17.668  51.438  1.00 36.63           O  
+ATOM    247  CB  TYR A 186      29.818  15.118  50.849  1.00 35.70           C  
+ATOM    248  CG  TYR A 186      28.586  14.712  50.094  1.00 34.05           C  
+ATOM    249  CD1 TYR A 186      28.506  14.905  48.716  1.00 34.14           C  
+ATOM    250  CD2 TYR A 186      27.467  14.227  50.752  1.00 34.22           C  
+ATOM    251  CE1 TYR A 186      27.363  14.571  48.002  1.00 32.22           C  
+ATOM    252  CE2 TYR A 186      26.310  13.900  50.050  1.00 33.27           C  
+ATOM    253  CZ  TYR A 186      26.261  14.088  48.679  1.00 32.35           C  
+ATOM    254  OH  TYR A 186      25.130  13.783  47.969  1.00 30.75           O  
+ATOM    255  N   SER A 187      30.875  16.904  53.310  1.00 39.19           N  
+ATOM    256  CA  SER A 187      31.877  17.512  54.199  1.00 42.54           C  
+ATOM    257  C   SER A 187      33.270  16.936  53.951  1.00 43.78           C  
+ATOM    258  O   SER A 187      34.255  17.678  53.941  1.00 47.04           O  
+ATOM    259  CB  SER A 187      31.490  17.378  55.683  1.00 43.65           C  
+ATOM    260  OG  SER A 187      30.735  16.211  55.906  1.00 43.18           O  
+ATOM    261  N   CYS A 188      33.343  15.628  53.717  1.00 43.43           N  
+ATOM    262  CA  CYS A 188      34.611  14.965  53.419  1.00 45.86           C  
+ATOM    263  C   CYS A 188      35.368  15.573  52.236  1.00 45.95           C  
+ATOM    264  O   CYS A 188      36.595  15.672  52.252  1.00 46.06           O  
+ATOM    265  CB  CYS A 188      34.368  13.496  53.093  1.00 44.49           C  
+ATOM    266  SG  CYS A 188      33.393  13.253  51.612  1.00 46.76           S  
+ATOM    267  N   CYS A 189      34.626  15.985  51.215  1.00 45.12           N  
+ATOM    268  CA  CYS A 189      35.147  15.989  49.851  1.00 45.47           C  
+ATOM    269  C   CYS A 189      34.928  17.315  49.140  1.00 46.19           C  
+ATOM    270  O   CYS A 189      33.911  17.962  49.343  1.00 47.81           O  
+ATOM    271  CB  CYS A 189      34.475  14.834  49.114  1.00 44.58           C  
+ATOM    272  SG  CYS A 189      34.716  13.267  50.003  1.00 49.92           S  
+ATOM    273  N   PRO A 190      35.892  17.730  48.300  1.00 46.85           N  
+ATOM    274  CA  PRO A 190      35.796  19.037  47.643  1.00 46.91           C  
+ATOM    275  C   PRO A 190      34.832  19.102  46.460  1.00 44.49           C  
+ATOM    276  O   PRO A 190      34.367  20.182  46.135  1.00 48.11           O  
+ATOM    277  CB  PRO A 190      37.228  19.287  47.144  1.00 47.16           C  
+ATOM    278  CG  PRO A 190      37.774  17.926  46.912  1.00 46.87           C  
+ATOM    279  CD  PRO A 190      37.160  17.050  47.979  1.00 46.59           C  
+ATOM    280  N   GLU A 191      34.569  17.988  45.790  1.00 42.73           N  
+ATOM    281  CA  GLU A 191      33.864  18.063  44.484  1.00 42.96           C  
+ATOM    282  C   GLU A 191      32.375  18.154  44.673  1.00 39.18           C  
+ATOM    283  O   GLU A 191      31.857  17.384  45.441  1.00 36.95           O  
+ATOM    284  CB  GLU A 191      34.038  16.776  43.657  1.00 45.99           C  
+ATOM    285  CG  GLU A 191      35.480  16.305  43.414  1.00 50.94           C  
+ATOM    286  CD  GLU A 191      36.114  15.497  44.536  1.00 53.46           C  
+ATOM    287  OE1 GLU A 191      35.532  15.390  45.623  1.00 58.56           O  
+ATOM    288  OE2 GLU A 191      37.236  14.994  44.351  1.00 52.91           O  
+ATOM    289  N   PRO A 192      31.682  19.031  43.916  1.00 35.96           N  
+ATOM    290  CA  PRO A 192      30.231  19.070  43.989  1.00 33.68           C  
+ATOM    291  C   PRO A 192      29.597  18.002  43.117  1.00 30.57           C  
+ATOM    292  O   PRO A 192      30.173  17.580  42.114  1.00 29.46           O  
+ATOM    293  CB  PRO A 192      29.889  20.445  43.430  1.00 34.40           C  
+ATOM    294  CG  PRO A 192      30.955  20.698  42.428  1.00 35.42           C  
+ATOM    295  CD  PRO A 192      32.194  20.028  42.960  1.00 35.88           C  
+ATOM    296  N   TYR A 193      28.420  17.563  43.523  1.00 29.00           N  
+ATOM    297  CA  TYR A 193      27.669  16.617  42.766  1.00 26.67           C  
+ATOM    298  C   TYR A 193      26.379  17.285  42.356  1.00 26.76           C  
+ATOM    299  O   TYR A 193      25.695  17.924  43.157  1.00 26.07           O  
+ATOM    300  CB  TYR A 193      27.471  15.332  43.565  1.00 26.52           C  
+ATOM    301  CG  TYR A 193      28.790  14.630  43.682  1.00 26.65           C  
+ATOM    302  CD1 TYR A 193      29.214  13.743  42.701  1.00 26.66           C  
+ATOM    303  CD2 TYR A 193      29.657  14.927  44.715  1.00 28.00           C  
+ATOM    304  CE1 TYR A 193      30.460  13.129  42.765  1.00 27.67           C  
+ATOM    305  CE2 TYR A 193      30.893  14.320  44.800  1.00 28.96           C  
+ATOM    306  CZ  TYR A 193      31.294  13.420  43.826  1.00 29.38           C  
+ATOM    307  OH  TYR A 193      32.553  12.851  43.869  1.00 31.42           O  
+ATOM    308  N   ILE A 194      26.079  17.152  41.066  1.00 26.88           N  
+ATOM    309  CA  ILE A 194      24.997  17.875  40.439  1.00 25.73           C  
+ATOM    310  C   ILE A 194      24.028  16.874  39.821  1.00 24.48           C  
+ATOM    311  O   ILE A 194      24.440  15.870  39.216  1.00 22.48           O  
+ATOM    312  CB  ILE A 194      25.525  18.794  39.331  1.00 25.91           C  
+ATOM    313  CG1 ILE A 194      26.699  19.630  39.863  1.00 28.35           C  
+ATOM    314  CG2 ILE A 194      24.404  19.680  38.807  1.00 25.56           C  
+ATOM    315  CD1 ILE A 194      27.259  20.652  38.897  1.00 29.30           C  
+ATOM    316  N   ASP A 195      22.748  17.151  39.990  1.00 24.63           N  
+ATOM    317  CA  ASP A 195      21.738  16.353  39.351  1.00 25.95           C  
+ATOM    318  C   ASP A 195      20.544  17.209  38.987  1.00 25.63           C  
+ATOM    319  O   ASP A 195      20.434  18.346  39.438  1.00 28.64           O  
+ATOM    320  CB  ASP A 195      21.320  15.196  40.252  1.00 26.57           C  
+ATOM    321  CG  ASP A 195      20.623  15.653  41.484  1.00 28.47           C  
+ATOM    322  OD1 ASP A 195      19.579  16.303  41.364  1.00 32.60           O  
+ATOM    323  OD2 ASP A 195      21.122  15.358  42.591  1.00 34.32           O  
+ATOM    324  N   VAL A 196      19.686  16.664  38.145  1.00 23.78           N  
+ATOM    325  CA  VAL A 196      18.446  17.304  37.815  1.00 25.17           C  
+ATOM    326  C   VAL A 196      17.333  16.448  38.370  1.00 25.54           C  
+ATOM    327  O   VAL A 196      17.245  15.264  38.080  1.00 26.50           O  
+ATOM    328  CB  VAL A 196      18.268  17.496  36.311  1.00 24.51           C  
+ATOM    329  CG1 VAL A 196      16.844  17.958  36.004  1.00 23.63           C  
+ATOM    330  CG2 VAL A 196      19.241  18.572  35.838  1.00 24.99           C  
+ATOM    331  N   ASN A 197      16.485  17.061  39.175  1.00 26.11           N  
+ATOM    332  CA  ASN A 197      15.402  16.351  39.814  1.00 27.55           C  
+ATOM    333  C   ASN A 197      14.140  16.544  39.000  1.00 26.12           C  
+ATOM    334  O   ASN A 197      13.663  17.660  38.855  1.00 28.84           O  
+ATOM    335  CB  ASN A 197      15.220  16.885  41.244  1.00 29.25           C  
+ATOM    336  CG  ASN A 197      14.401  15.959  42.121  1.00 31.79           C  
+ATOM    337  OD1 ASN A 197      14.365  14.750  41.913  1.00 31.27           O  
+ATOM    338  ND2 ASN A 197      13.749  16.527  43.132  1.00 35.77           N  
+ATOM    339  N   LEU A 198      13.626  15.456  38.437  1.00 24.99           N  
+ATOM    340  CA  LEU A 198      12.344  15.462  37.756  1.00 23.30           C  
+ATOM    341  C   LEU A 198      11.312  15.078  38.784  1.00 24.24           C  
+ATOM    342  O   LEU A 198      11.355  13.965  39.289  1.00 24.30           O  
+ATOM    343  CB  LEU A 198      12.345  14.450  36.618  1.00 21.65           C  
+ATOM    344  CG  LEU A 198      11.035  14.289  35.859  1.00 21.54           C  
+ATOM    345  CD1 LEU A 198      10.717  15.559  35.075  1.00 21.91           C  
+ATOM    346  CD2 LEU A 198      11.126  13.089  34.936  1.00 20.48           C  
+ATOM    347  N   PHE B  33      28.987  -3.020  49.141  1.00 22.51           N  
+ATOM    348  CA  PHE B  33      27.651  -2.974  48.570  1.00 22.90           C  
+ATOM    349  C   PHE B  33      26.873  -1.813  49.135  1.00 23.54           C  
+ATOM    350  O   PHE B  33      26.931  -1.557  50.340  1.00 25.43           O  
+ATOM    351  CB  PHE B  33      26.895  -4.266  48.850  1.00 22.90           C  
+ATOM    352  CG  PHE B  33      27.465  -5.441  48.153  1.00 23.37           C  
+ATOM    353  CD1 PHE B  33      27.070  -5.756  46.870  1.00 23.37           C  
+ATOM    354  CD2 PHE B  33      28.414  -6.226  48.773  1.00 25.34           C  
+ATOM    355  CE1 PHE B  33      27.613  -6.833  46.212  1.00 23.17           C  
+ATOM    356  CE2 PHE B  33      28.963  -7.298  48.117  1.00 25.33           C  
+ATOM    357  CZ  PHE B  33      28.562  -7.600  46.832  1.00 23.62           C  
+ATOM    358  N   THR B  34      26.153  -1.132  48.254  1.00 22.60           N  
+ATOM    359  CA  THR B  34      25.213  -0.120  48.631  1.00 24.03           C  
+ATOM    360  C   THR B  34      23.840  -0.599  48.183  1.00 24.82           C  
+ATOM    361  O   THR B  34      23.607  -0.802  47.004  1.00 25.30           O  
+ATOM    362  CB  THR B  34      25.542   1.194  47.953  1.00 25.09           C  
+ATOM    363  OG1 THR B  34      26.848   1.617  48.371  1.00 25.96           O  
+ATOM    364  CG2 THR B  34      24.472   2.262  48.318  1.00 26.39           C  
+ATOM    365  N   LEU B  35      22.947  -0.812  49.128  1.00 25.32           N  
+ATOM    366  CA  LEU B  35      21.664  -1.379  48.831  1.00 27.45           C  
+ATOM    367  C   LEU B  35      20.633  -0.262  48.628  1.00 28.58           C  
+ATOM    368  O   LEU B  35      20.409   0.541  49.523  1.00 28.32           O  
+ATOM    369  CB  LEU B  35      21.280  -2.321  49.966  1.00 31.97           C  
+ATOM    370  CG  LEU B  35      19.933  -2.996  49.919  1.00 34.49           C  
+ATOM    371  CD1 LEU B  35      19.874  -3.847  48.667  1.00 43.24           C  
+ATOM    372  CD2 LEU B  35      19.761  -3.846  51.174  1.00 39.69           C  
+ATOM    373  N   GLN B  36      20.032  -0.210  47.437  1.00 30.04           N  
+ATOM    374  CA  GLN B  36      19.044   0.808  47.081  1.00 31.76           C  
+ATOM    375  C   GLN B  36      17.622   0.406  47.402  1.00 29.63           C  
+ATOM    376  O   GLN B  36      16.855   1.211  47.907  1.00 28.52           O  
+ATOM    377  CB  GLN B  36      19.088   1.121  45.590  1.00 38.25           C  
+ATOM    378  CG  GLN B  36      20.049   2.219  45.198  1.00 50.29           C  
+ATOM    379  CD  GLN B  36      19.537   2.990  43.999  1.00 56.19           C  
+ATOM    380  OE1 GLN B  36      19.678   2.546  42.857  1.00 53.90           O  
+ATOM    381  NE2 GLN B  36      18.950   4.162  44.255  1.00 56.67           N  
+ATOM    382  N   TYR B  53      24.266  -1.076  44.301  1.00 25.05           N  
+ATOM    383  CA  TYR B  53      25.509  -0.789  43.620  1.00 26.75           C  
+ATOM    384  C   TYR B  53      26.589  -1.566  44.301  1.00 25.44           C  
+ATOM    385  O   TYR B  53      26.602  -1.701  45.514  1.00 23.18           O  
+ATOM    386  CB  TYR B  53      25.916   0.679  43.720  1.00 29.03           C  
+ATOM    387  CG  TYR B  53      24.813   1.653  43.690  1.00 31.59           C  
+ATOM    388  CD1 TYR B  53      23.797   1.558  42.746  1.00 38.83           C  
+ATOM    389  CD2 TYR B  53      24.796   2.702  44.568  1.00 35.97           C  
+ATOM    390  CE1 TYR B  53      22.761   2.473  42.698  1.00 41.26           C  
+ATOM    391  CE2 TYR B  53      23.781   3.631  44.523  1.00 39.77           C  
+ATOM    392  CZ  TYR B  53      22.760   3.513  43.596  1.00 42.54           C  
+ATOM    393  OH  TYR B  53      21.747   4.442  43.551  1.00 48.65           O  
+ATOM    394  N   GLN B  55      30.479  -1.485  44.657  1.00 28.86           N  
+ATOM    395  CA  GLN B  55      31.754  -0.781  44.498  1.00 32.22           C  
+ATOM    396  C   GLN B  55      32.917  -1.791  44.399  1.00 30.47           C  
+ATOM    397  O   GLN B  55      33.073  -2.645  45.254  1.00 30.79           O  
+ATOM    398  CB  GLN B  55      31.887   0.283  45.597  1.00 35.50           C  
+ATOM    399  CG  GLN B  55      31.853  -0.258  47.006  1.00 47.96           C  
+ATOM    400  CD  GLN B  55      31.136   0.692  47.988  1.00 60.42           C  
+ATOM    401  OE1 GLN B  55      31.758   1.360  48.844  1.00 55.09           O  
+ATOM    402  NE2 GLN B  55      29.798   0.764  47.847  1.00 55.20           N  
+ATOM    403  N   ARG B  77      38.560   8.840  33.266  1.00 34.09           N  
+ATOM    404  CA  ARG B  77      37.429   7.950  33.073  1.00 32.40           C  
+ATOM    405  C   ARG B  77      37.643   7.174  31.795  1.00 32.01           C  
+ATOM    406  O   ARG B  77      38.134   7.720  30.809  1.00 31.86           O  
+ATOM    407  CB  ARG B  77      36.137   8.760  32.941  1.00 32.71           C  
+ATOM    408  CG  ARG B  77      35.524   9.158  34.258  1.00 33.98           C  
+ATOM    409  CD  ARG B  77      36.332  10.204  35.005  1.00 36.68           C  
+ATOM    410  NE  ARG B  77      35.659  10.528  36.265  1.00 39.01           N  
+ATOM    411  CZ  ARG B  77      36.209  11.185  37.284  1.00 41.86           C  
+ATOM    412  NH1 ARG B  77      37.462  11.636  37.212  1.00 45.66           N  
+ATOM    413  NH2 ARG B  77      35.499  11.388  38.387  1.00 42.11           N  
+ATOM    414  N   SER B 101      23.516   0.934  35.126  1.00 23.27           N  
+ATOM    415  CA  SER B 101      24.363   2.112  35.054  1.00 24.11           C  
+ATOM    416  C   SER B 101      25.355   1.992  33.926  1.00 24.39           C  
+ATOM    417  O   SER B 101      25.623   0.894  33.458  1.00 22.66           O  
+ATOM    418  CB  SER B 101      25.105   2.321  36.378  1.00 24.68           C  
+ATOM    419  OG  SER B 101      26.038   1.283  36.628  1.00 25.06           O  
+ATOM    420  N   PRO B 102      25.918   3.132  33.490  1.00 24.91           N  
+ATOM    421  CA  PRO B 102      26.931   3.094  32.470  1.00 26.74           C  
+ATOM    422  C   PRO B 102      28.124   2.266  32.921  1.00 26.60           C  
+ATOM    423  O   PRO B 102      28.466   2.276  34.096  1.00 31.36           O  
+ATOM    424  CB  PRO B 102      27.319   4.562  32.304  1.00 27.73           C  
+ATOM    425  CG  PRO B 102      26.156   5.327  32.796  1.00 27.18           C  
+ATOM    426  CD  PRO B 102      25.622   4.502  33.915  1.00 26.04           C  
+ATOM    427  N   VAL B 106      36.974   4.563  36.710  1.00 26.73           N  
+ATOM    428  CA  VAL B 106      37.929   5.627  36.969  1.00 28.16           C  
+ATOM    429  C   VAL B 106      39.275   4.984  37.230  1.00 27.62           C  
+ATOM    430  O   VAL B 106      39.373   4.067  38.031  1.00 28.81           O  
+ATOM    431  CB  VAL B 106      37.506   6.486  38.186  1.00 29.03           C  
+ATOM    432  CG1 VAL B 106      38.569   7.519  38.503  1.00 29.92           C  
+ATOM    433  CG2 VAL B 106      36.153   7.154  37.926  1.00 28.07           C  
+ATOM    434  N   MET B 114      38.496   2.172  39.978  1.00 30.58           N  
+ATOM    435  CA  MET B 114      37.214   2.114  40.677  1.00 30.81           C  
+ATOM    436  C   MET B 114      36.136   1.890  39.636  1.00 30.28           C  
+ATOM    437  O   MET B 114      36.169   2.518  38.564  1.00 29.72           O  
+ATOM    438  CB  MET B 114      36.918   3.421  41.385  1.00 37.08           C  
+ATOM    439  CG  MET B 114      37.582   3.592  42.731  1.00 42.82           C  
+ATOM    440  SD  MET B 114      36.591   4.695  43.749  1.00 61.83           S  
+ATOM    441  CE  MET B 114      35.326   3.572  44.366  1.00 52.94           C  
+ATOM    442  N   ILE B 116      31.827   1.089  39.752  1.00 23.55           N  
+ATOM    443  CA  ILE B 116      30.630   0.936  40.583  1.00 22.18           C  
+ATOM    444  C   ILE B 116      29.382   0.679  39.729  1.00 22.20           C  
+ATOM    445  O   ILE B 116      28.589   1.579  39.482  1.00 22.11           O  
+ATOM    446  CB  ILE B 116      30.382   2.161  41.480  1.00 24.32           C  
+ATOM    447  CG1 ILE B 116      31.656   2.572  42.252  1.00 25.48           C  
+ATOM    448  CG2 ILE B 116      29.236   1.884  42.431  1.00 23.26           C  
+ATOM    449  CD1 ILE B 116      32.426   3.671  41.577  1.00 28.24           C  
+ATOM    450  N   ALA B 118      25.680  -0.357  38.930  1.00 18.72           N  
+ATOM    451  CA  ALA B 118      24.372  -0.560  39.549  1.00 18.51           C  
+ATOM    452  C   ALA B 118      23.704  -1.756  38.913  1.00 19.16           C  
+ATOM    453  O   ALA B 118      23.725  -1.932  37.698  1.00 20.17           O  
+ATOM    454  CB  ALA B 118      23.489   0.656  39.375  1.00 18.11           C  
+ATOM    455  N   GLN B 160      29.870  -3.389  57.337  1.00 34.88           N  
+ATOM    456  CA  GLN B 160      28.522  -2.823  57.257  1.00 34.53           C  
+ATOM    457  C   GLN B 160      28.189  -2.462  55.825  1.00 29.89           C  
+ATOM    458  O   GLN B 160      28.938  -1.750  55.168  1.00 30.83           O  
+ATOM    459  CB  GLN B 160      28.375  -1.605  58.162  1.00 37.51           C  
+ATOM    460  CG  GLN B 160      28.705  -1.879  59.621  1.00 41.73           C  
+ATOM    461  CD  GLN B 160      27.751  -2.872  60.314  1.00 43.99           C  
+ATOM    462  OE1 GLN B 160      26.558  -2.964  60.007  1.00 45.55           O  
+ATOM    463  NE2 GLN B 160      28.291  -3.617  61.271  1.00 49.37           N  
+ATOM    464  N   VAL B 161      27.091  -3.000  55.324  1.00 27.14           N  
+ATOM    465  CA  VAL B 161      26.573  -2.592  54.026  1.00 25.37           C  
+ATOM    466  C   VAL B 161      26.093  -1.148  54.124  1.00 25.87           C  
+ATOM    467  O   VAL B 161      25.487  -0.754  55.107  1.00 27.29           O  
+ATOM    468  CB  VAL B 161      25.433  -3.536  53.575  1.00 24.61           C  
+ATOM    469  CG1 VAL B 161      24.619  -2.963  52.430  1.00 22.86           C  
+ATOM    470  CG2 VAL B 161      26.006  -4.911  53.233  1.00 23.56           C  
+ATOM    471  N   ASP B 162      26.382  -0.363  53.098  1.00 26.43           N  
+ATOM    472  CA  ASP B 162      25.962   1.036  53.038  1.00 27.55           C  
+ATOM    473  C   ASP B 162      24.450   1.104  52.755  1.00 26.67           C  
+ATOM    474  O   ASP B 162      23.989   0.687  51.689  1.00 25.20           O  
+ATOM    475  CB  ASP B 162      26.777   1.746  51.954  1.00 27.89           C  
+ATOM    476  CG  ASP B 162      26.235   3.100  51.596  1.00 29.16           C  
+ATOM    477  OD1 ASP B 162      25.632   3.768  52.463  1.00 30.32           O  
+ATOM    478  OD2 ASP B 162      26.434   3.492  50.426  1.00 29.96           O  
+ATOM    479  N   LEU B 163      23.696   1.590  53.735  1.00 27.15           N  
+ATOM    480  CA  LEU B 163      22.242   1.759  53.615  1.00 27.53           C  
+ATOM    481  C   LEU B 163      21.826   3.228  53.434  1.00 27.90           C  
+ATOM    482  O   LEU B 163      20.649   3.552  53.454  1.00 28.20           O  
+ATOM    483  CB  LEU B 163      21.542   1.149  54.852  1.00 28.57           C  
+ATOM    484  CG  LEU B 163      21.694  -0.384  55.022  1.00 28.07           C  
+ATOM    485  CD1 LEU B 163      21.043  -0.883  56.314  1.00 28.04           C  
+ATOM    486  CD2 LEU B 163      21.162  -1.131  53.797  1.00 24.92           C  
+ATOM    487  N   SER B 164      22.800   4.113  53.253  1.00 28.94           N  
+ATOM    488  CA  SER B 164      22.541   5.549  53.177  1.00 30.44           C  
+ATOM    489  C   SER B 164      21.718   5.962  51.950  1.00 30.42           C  
+ATOM    490  O   SER B 164      21.101   7.014  51.967  1.00 34.47           O  
+ATOM    491  CB  SER B 164      23.864   6.323  53.180  1.00 30.70           C  
+ATOM    492  OG  SER B 164      24.556   6.096  51.967  1.00 29.39           O  
+ATOM    493  N   SER B 165      21.688   5.124  50.914  1.00 29.21           N  
+ATOM    494  CA  SER B 165      20.869   5.359  49.732  1.00 27.60           C  
+ATOM    495  C   SER B 165      19.644   4.455  49.637  1.00 26.49           C  
+ATOM    496  O   SER B 165      19.019   4.385  48.587  1.00 25.05           O  
+ATOM    497  CB  SER B 165      21.696   5.099  48.476  1.00 26.91           C  
+ATOM    498  OG  SER B 165      22.965   5.698  48.571  1.00 27.12           O  
+ATOM    499  N   TYR B 166      19.264   3.779  50.712  1.00 25.95           N  
+ATOM    500  CA  TYR B 166      18.137   2.870  50.618  1.00 25.08           C  
+ATOM    501  C   TYR B 166      16.853   3.674  50.429  1.00 26.68           C  
+ATOM    502  O   TYR B 166      16.617   4.635  51.136  1.00 27.29           O  
+ATOM    503  CB  TYR B 166      18.028   1.977  51.854  1.00 25.24           C  
+ATOM    504  CG  TYR B 166      17.051   0.860  51.658  1.00 24.14           C  
+ATOM    505  CD1 TYR B 166      17.397  -0.241  50.895  1.00 22.40           C  
+ATOM    506  CD2 TYR B 166      15.766   0.924  52.188  1.00 24.75           C  
+ATOM    507  CE1 TYR B 166      16.518  -1.277  50.684  1.00 22.08           C  
+ATOM    508  CE2 TYR B 166      14.875  -0.103  51.987  1.00 24.52           C  
+ATOM    509  CZ  TYR B 166      15.255  -1.212  51.240  1.00 23.28           C  
+ATOM    510  OH  TYR B 166      14.381  -2.248  50.981  1.00 22.65           O  
+ATOM    511  N   TYR B 167      16.035   3.258  49.462  1.00 27.82           N  
+ATOM    512  CA  TYR B 167      14.766   3.926  49.131  1.00 29.82           C  
+ATOM    513  C   TYR B 167      13.860   4.061  50.363  1.00 31.22           C  
+ATOM    514  O   TYR B 167      13.411   3.069  50.925  1.00 31.89           O  
+ATOM    515  CB  TYR B 167      14.049   3.169  48.006  1.00 28.65           C  
+ATOM    516  CG  TYR B 167      12.721   3.755  47.579  1.00 32.14           C  
+ATOM    517  CD1 TYR B 167      12.558   5.131  47.411  1.00 33.98           C  
+ATOM    518  CD2 TYR B 167      11.611   2.932  47.344  1.00 32.74           C  
+ATOM    519  CE1 TYR B 167      11.330   5.660  47.032  1.00 36.11           C  
+ATOM    520  CE2 TYR B 167      10.386   3.458  46.964  1.00 33.50           C  
+ATOM    521  CZ  TYR B 167      10.249   4.816  46.809  1.00 35.91           C  
+ATOM    522  OH  TYR B 167       9.035   5.356  46.419  1.00 39.60           O  
+ATOM    523  N   ALA B 168      13.602   5.300  50.759  1.00 33.66           N  
+ATOM    524  CA  ALA B 168      12.829   5.593  51.965  1.00 37.71           C  
+ATOM    525  C   ALA B 168      11.415   5.022  51.947  1.00 38.78           C  
+ATOM    526  O   ALA B 168      10.872   4.708  53.003  1.00 44.20           O  
+ATOM    527  CB  ALA B 168      12.765   7.104  52.188  1.00 37.63           C  
+HETATM  528  O   HOH A2009      25.330  13.776  40.690  1.00 30.90           O  
+HETATM  529  O   HOH A2014      25.692  14.991  37.034  1.00 13.88           O  
+HETATM  530  O   HOH A2015      28.234  15.675  36.976  1.00 17.15           O  
+HETATM  531  O   HOH A2018      33.027  11.535  41.298  1.00 35.83           O  
+HETATM  532  O   HOH A2019      25.833   5.607  48.816  1.00 26.83           O  
+HETATM  533  O   HOH B2002      30.353   0.428  51.045  1.00 38.12           O  
+HETATM  534  O   HOH B2020      24.637   2.718  56.170  1.00 28.65           O  
+CONECT    1    2
+CONECT    2    3    5
+CONECT    3    4    4    9
+CONECT    5    6
+CONECT    6    7    7    8
+CONECT    9   10
+CONECT   10   11   13
+CONECT   11   12   12   17
+CONECT   13   14   15
+CONECT   14   16
+CONECT   17   18
+CONECT   18   19   21
+CONECT   19   20   20   24
+CONECT   21   22   23
+CONECT   24   25
+CONECT   25   26   28
+CONECT   26   27   27   29
+CONECT   29   30
+CONECT   30   31   33
+CONECT   31   32   32   41
+CONECT   33   34
+CONECT   34   35   35   36
+CONECT   35   37
+CONECT   36   38   38
+CONECT   37   39   39
+CONECT   38   39
+CONECT   39   40
+CONECT   41   42
+CONECT   42   43   45
+CONECT   43   44   44   47
+CONECT   45   46
+CONECT   47   48
+CONECT   48   49   51
+CONECT   49   50   50
+CONECT   51   52
+CONECT   53   54
+CONECT   54   55   57
+CONECT   55   56   56
+CONECT   57   58
+CONECT   58   59
+CONECT   59   60
+CONECT   61   62
+CONECT   62   63   65
+CONECT   63   64   64   66
+CONECT   66   67
+CONECT   67   68   70
+CONECT   68   69   69   73
+CONECT   70   71   72
+CONECT   73   74
+CONECT   74   75   77
+CONECT   75   76   76   82
+CONECT   77   78
+CONECT   78   79
+CONECT   79   80
+CONECT   80   81
+CONECT   82   83
+CONECT   83   84   86
+CONECT   84   85   85   93
+CONECT   86   87
+CONECT   87   88   88   89
+CONECT   88   90
+CONECT   89   91   91
+CONECT   90   92   92
+CONECT   91   92
+CONECT   93   94
+CONECT   94   95
+CONECT   95   96   96   97
+CONECT   97   98
+CONECT   98   99  101
+CONECT   99  100  100  103
+CONECT  101  102
+CONECT  103  104
+CONECT  104  105  107
+CONECT  105  106  106  117
+CONECT  107  108
+CONECT  108  109  109  110
+CONECT  109  111
+CONECT  110  112  112  113
+CONECT  111  112
+CONECT  112  114
+CONECT  113  115  115
+CONECT  114  116  116
+CONECT  115  116
+CONECT  117  118
+CONECT  118  119  121
+CONECT  119  120  120  124
+CONECT  121  122  123
+CONECT  124  125
+CONECT  125  126  128
+CONECT  126  127  127  136
+CONECT  128  129
+CONECT  129  130  130  131
+CONECT  130  132
+CONECT  131  133  133
+CONECT  132  134  134
+CONECT  133  134
+CONECT  134  135
+CONECT  136  137
+CONECT  137  138  140
+CONECT  138  139  139  142
+CONECT  140  141
+CONECT  142  143
+CONECT  143  144
+CONECT  144  145  145  146
+CONECT  146  147
+CONECT  147  148  150
+CONECT  148  149  149  157
+CONECT  150  151
+CONECT  151  152  152  153
+CONECT  152  154
+CONECT  153  155  155
+CONECT  154  156  156
+CONECT  155  156
+CONECT  157  158
+CONECT  158  159  161
+CONECT  159  160  160  166
+CONECT  161  162
+CONECT  162  163
+CONECT  163  164  164  165
+CONECT  166  167
+CONECT  167  168  170
+CONECT  168  169  169  174
+CONECT  170  171  172
+CONECT  171  173
+CONECT  174  175
+CONECT  175  176  178
+CONECT  176  177  177  182
+CONECT  178  179
+CONECT  179  180  180  181
+CONECT  182  183
+CONECT  183  184  186
+CONECT  184  185  185
+CONECT  186  187
+CONECT  187  188  189
+CONECT  190  191
+CONECT  191  192  194
+CONECT  192  193  193  197
+CONECT  194  195  196
+CONECT  197  198
+CONECT  198  199  201
+CONECT  199  200  200  208
+CONECT  201  202
+CONECT  202  203
+CONECT  203  204
+CONECT  204  205
+CONECT  205  206  207  207
+CONECT  208  209
+CONECT  209  210  212
+CONECT  210  211  211  217
+CONECT  212  213
+CONECT  213  214
+CONECT  214  215  215  216
+CONECT  217  218
+CONECT  218  219  221
+CONECT  219  220  220  224
+CONECT  221  222  223
+CONECT  224  225
+CONECT  225  226  228
+CONECT  226  227  227  233
+CONECT  228  229
+CONECT  229  230
+CONECT  230  231  231  232
+CONECT  233  234
+CONECT  234  235  237
+CONECT  235  236  236  243
+CONECT  237  238
+CONECT  238  239  240  240
+CONECT  239  241  241
+CONECT  240  242
+CONECT  241  242
+CONECT  243  244
+CONECT  244  245  247
+CONECT  245  246  246  255
+CONECT  247  248
+CONECT  248  249  249  250
+CONECT  249  251
+CONECT  250  252  252
+CONECT  251  253  253
+CONECT  252  253
+CONECT  253  254
+CONECT  255  256
+CONECT  256  257  259
+CONECT  257  258  258  261
+CONECT  259  260
+CONECT  261  262
+CONECT  262  263  265
+CONECT  263  264  264  267
+CONECT  265  266
+CONECT  266  272
+CONECT  267  268
+CONECT  268  269  271
+CONECT  269  270  270  273
+CONECT  271  272
+CONECT  273  274  279
+CONECT  274  275  277
+CONECT  275  276  276  280
+CONECT  277  278
+CONECT  278  279
+CONECT  280  281
+CONECT  281  282  284
+CONECT  282  283  283  289
+CONECT  284  285
+CONECT  285  286
+CONECT  286  287  287  288
+CONECT  289  290  295
+CONECT  290  291  293
+CONECT  291  292  292  296
+CONECT  293  294
+CONECT  294  295
+CONECT  296  297
+CONECT  297  298  300
+CONECT  298  299  299  308
+CONECT  300  301
+CONECT  301  302  302  303
+CONECT  302  304
+CONECT  303  305  305
+CONECT  304  306  306
+CONECT  305  306
+CONECT  306  307
+CONECT  308  309
+CONECT  309  310  312
+CONECT  310  311  311  316
+CONECT  312  313  314
+CONECT  313  315
+CONECT  316  317
+CONECT  317  318  320
+CONECT  318  319  319  324
+CONECT  320  321
+CONECT  321  322  322  323
+CONECT  324  325
+CONECT  325  326  328
+CONECT  326  327  327  331
+CONECT  328  329  330
+CONECT  331  332
+CONECT  332  333  335
+CONECT  333  334  334  339
+CONECT  335  336
+CONECT  336  337  337  338
+CONECT  339  340
+CONECT  340  341  343
+CONECT  341  342  342
+CONECT  343  344
+CONECT  344  345  346
+CONECT  347  348
+CONECT  348  349  351
+CONECT  349  350  350  358
+CONECT  351  352
+CONECT  352  353  353  354
+CONECT  353  355
+CONECT  354  356  356
+CONECT  355  357  357
+CONECT  356  357
+CONECT  358  359
+CONECT  359  360  362
+CONECT  360  361  361  365
+CONECT  362  363  364
+CONECT  365  366
+CONECT  366  367  369
+CONECT  367  368  368  373
+CONECT  369  370
+CONECT  370  371  372
+CONECT  373  374
+CONECT  374  375  377
+CONECT  375  376  376
+CONECT  377  378
+CONECT  378  379
+CONECT  379  380  380  381
+CONECT  382  383
+CONECT  383  384  386
+CONECT  384  385  385
+CONECT  386  387
+CONECT  387  388  388  389
+CONECT  388  390
+CONECT  389  391  391
+CONECT  390  392  392
+CONECT  391  392
+CONECT  392  393
+CONECT  394  395
+CONECT  395  396  398
+CONECT  396  397  397
+CONECT  398  399
+CONECT  399  400
+CONECT  400  401  401  402
+CONECT  403  404
+CONECT  404  405  407
+CONECT  405  406  406
+CONECT  407  408
+CONECT  408  409
+CONECT  409  410
+CONECT  410  411
+CONECT  411  412  413  413
+CONECT  414  415
+CONECT  415  416  418
+CONECT  416  417  417  420
+CONECT  418  419
+CONECT  420  421  426
+CONECT  421  422  424
+CONECT  422  423  423
+CONECT  424  425
+CONECT  425  426
+CONECT  427  428
+CONECT  428  429  431
+CONECT  429  430  430
+CONECT  431  432  433
+CONECT  434  435
+CONECT  435  436  438
+CONECT  436  437  437
+CONECT  438  439
+CONECT  439  440
+CONECT  440  441
+CONECT  442  443
+CONECT  443  444  446
+CONECT  444  445  445
+CONECT  446  447  448
+CONECT  447  449
+CONECT  450  451
+CONECT  451  452  454
+CONECT  452  453  453
+CONECT  455  456
+CONECT  456  457  459
+CONECT  457  458  458  464
+CONECT  459  460
+CONECT  460  461
+CONECT  461  462  462  463
+CONECT  464  465
+CONECT  465  466  468
+CONECT  466  467  467  471
+CONECT  468  469  470
+CONECT  471  472
+CONECT  472  473  475
+CONECT  473  474  474  479
+CONECT  475  476
+CONECT  476  477  477  478
+CONECT  479  480
+CONECT  480  481  483
+CONECT  481  482  482  487
+CONECT  483  484
+CONECT  484  485  486
+CONECT  487  488
+CONECT  488  489  491
+CONECT  489  490  490  493
+CONECT  491  492
+CONECT  493  494
+CONECT  494  495  497
+CONECT  495  496  496  499
+CONECT  497  498
+CONECT  499  500
+CONECT  500  501  503
+CONECT  501  502  502  511
+CONECT  503  504
+CONECT  504  505  505  506
+CONECT  505  507
+CONECT  506  508  508
+CONECT  507  509  509
+CONECT  508  509
+CONECT  509  510
+CONECT  511  512
+CONECT  512  513  515
+CONECT  513  514  514  523
+CONECT  515  516
+CONECT  516  517  517  518
+CONECT  517  519
+CONECT  518  520  520
+CONECT  519  521  521
+CONECT  520  521
+CONECT  521  522
+CONECT  523  524
+CONECT  524  525  527
+CONECT  525  526  526
+END