NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype
392821 1q71 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   GLY A   1      -8.277  -3.593   1.275  1.00  0.00      A       
ATOM      2  CA  GLY A   1      -8.655  -2.472   0.322  1.00  0.00      A       
ATOM      3  HT2 GLY A   1      -7.167  -1.069  -0.226  1.00  0.00      A       
ATOM      4  HA2 GLY A   1      -9.087  -1.664   0.893  1.00  0.00      A       
ATOM      5  HA1 GLY A   1      -9.393  -2.841  -0.374  1.00  0.00      A       
ATOM      6  N   GLY A   1      -7.522  -1.956  -0.431  1.00  0.00      A       
ATOM      7  O   GLY A   1      -9.024  -4.555   1.433  1.00  0.00      A       
ATOM      8  C   GLY A   2      -5.278  -4.210   3.366  1.00  0.00      A       
ATOM      9  CA  GLY A   2      -6.675  -4.485   2.847  1.00  0.00      A       
ATOM     10  HN  GLY A   2      -6.565  -2.683   1.750  1.00  0.00      A       
ATOM     11  HA2 GLY A   2      -7.359  -4.519   3.682  1.00  0.00      A       
ATOM     12  HA1 GLY A   2      -6.680  -5.443   2.349  1.00  0.00      A       
ATOM     13  N   GLY A   2      -7.123  -3.468   1.915  1.00  0.00      A       
ATOM     14  O   GLY A   2      -4.933  -3.061   3.657  1.00  0.00      A       
ATOM     15  C   ALA A   3      -2.192  -6.123   3.218  1.00  0.00      A       
ATOM     16  CA  ALA A   3      -3.095  -5.130   3.936  1.00  0.00      A       
ATOM     17  CB  ALA A   3      -3.032  -5.347   5.442  1.00  0.00      A       
ATOM     18  HN  ALA A   3      -4.794  -6.142   3.194  1.00  0.00      A       
ATOM     19  HA  ALA A   3      -2.756  -4.126   3.723  1.00  0.00      A       
ATOM     20  HB1 ALA A   3      -2.016  -5.574   5.730  1.00  0.00      A       
ATOM     21  HB2 ALA A   3      -3.677  -6.167   5.716  1.00  0.00      A       
ATOM     22  HB3 ALA A   3      -3.357  -4.449   5.948  1.00  0.00      A       
ATOM     23  N   ALA A   3      -4.467  -5.255   3.461  1.00  0.00      A       
ATOM     24  O   ALA A   3      -2.598  -7.246   2.937  1.00  0.00      A       
ATOM     25  C   GLY A   4       1.212  -5.797   1.802  1.00  0.00      A       
ATOM     26  CA  GLY A   4      -0.038  -6.547   2.213  1.00  0.00      A       
ATOM     27  HN  GLY A   4      -0.710  -4.784   3.154  1.00  0.00      A       
ATOM     28  HA2 GLY A   4       0.239  -7.366   2.860  1.00  0.00      A       
ATOM     29  HA1 GLY A   4      -0.515  -6.944   1.329  1.00  0.00      A       
ATOM     30  N   GLY A   4      -0.975  -5.694   2.911  1.00  0.00      A       
ATOM     31  O   GLY A   4       1.854  -5.152   2.629  1.00  0.00      A       
ATOM     32  C   HIS A   5       2.354  -4.167  -1.039  1.00  0.00      A       
ATOM     33  CA  HIS A   5       2.742  -5.211   0.001  1.00  0.00      A       
ATOM     34  CB  HIS A   5       3.713  -6.220  -0.629  1.00  0.00      A       
ATOM     35  CD2 HIS A   5       5.217  -7.547   1.018  1.00  0.00      A       
ATOM     36  CE1 HIS A   5       3.886  -9.254   1.363  1.00  0.00      A       
ATOM     37  CG  HIS A   5       4.101  -7.350   0.277  1.00  0.00      A       
ATOM     38  HN  HIS A   5       1.004  -6.418  -0.092  1.00  0.00      A       
ATOM     39  HA  HIS A   5       3.236  -4.717   0.825  1.00  0.00      A       
ATOM     40  HB2 HIS A   5       3.254  -6.646  -1.508  1.00  0.00      A       
ATOM     41  HB1 HIS A   5       4.617  -5.702  -0.919  1.00  0.00      A       
ATOM     42  HD1 HIS A   5       2.395  -8.602   0.103  1.00  0.00      A       
ATOM     43  HD2 HIS A   5       6.072  -6.888   1.075  1.00  0.00      A       
ATOM     44  HE1 HIS A   5       3.484 -10.187   1.729  1.00  0.00      A       
ATOM     45  HE2 HIS A   5       5.643  -9.071   2.396  1.00  0.00      A       
ATOM     46  N   HIS A   5       1.560  -5.882   0.525  1.00  0.00      A       
ATOM     47  ND1 HIS A   5       3.291  -8.440   0.515  1.00  0.00      A       
ATOM     48  NE2 HIS A   5       5.058  -8.737   1.685  1.00  0.00      A       
ATOM     49  O   HIS A   5       2.968  -3.105  -1.119  1.00  0.00      A       
ATOM     50  C   VAL A   6      -0.164  -2.609  -2.323  1.00  0.00      A       
ATOM     51  CA  VAL A   6       0.888  -3.562  -2.880  1.00  0.00      A       
ATOM     52  CB  VAL A   6       0.296  -4.328  -4.086  1.00  0.00      A       
ATOM     53  CG1 VAL A   6      -0.127  -3.366  -5.188  1.00  0.00      A       
ATOM     54  CG2 VAL A   6       1.294  -5.346  -4.615  1.00  0.00      A       
ATOM     55  HN  VAL A   6       0.889  -5.348  -1.735  1.00  0.00      A       
ATOM     56  HA  VAL A   6       1.739  -2.990  -3.222  1.00  0.00      A       
ATOM     57  HB  VAL A   6      -0.581  -4.860  -3.751  1.00  0.00      A       
ATOM     58 HG11 VAL A   6       0.645  -3.321  -5.941  1.00  0.00      A       
ATOM     59 HG12 VAL A   6      -0.278  -2.383  -4.769  1.00  0.00      A       
ATOM     60 HG13 VAL A   6      -1.046  -3.714  -5.635  1.00  0.00      A       
ATOM     61 HG21 VAL A   6       2.190  -4.838  -4.940  1.00  0.00      A       
ATOM     62 HG22 VAL A   6       0.859  -5.877  -5.450  1.00  0.00      A       
ATOM     63 HG23 VAL A   6       1.543  -6.047  -3.834  1.00  0.00      A       
ATOM     64  N   VAL A   6       1.342  -4.477  -1.841  1.00  0.00      A       
ATOM     65  O   VAL A   6      -1.200  -3.045  -1.842  1.00  0.00      A       
ATOM     66  C   PRO A   7      -2.106  -0.158  -2.672  1.00  0.00      A       
ATOM     67  CA  PRO A   7      -0.818  -0.276  -1.856  1.00  0.00      A       
ATOM     68  CB  PRO A   7      -0.005   1.016  -1.947  1.00  0.00      A       
ATOM     69  CD  PRO A   7       1.336  -0.705  -2.917  1.00  0.00      A       
ATOM     70  CG  PRO A   7       1.014   0.757  -3.003  1.00  0.00      A       
ATOM     71  HA  PRO A   7      -1.072  -0.466  -0.822  1.00  0.00      A       
ATOM     72  HB2 PRO A   7      -0.656   1.835  -2.219  1.00  0.00      A       
ATOM     73  HB1 PRO A   7       0.460   1.220  -0.994  1.00  0.00      A       
ATOM     74  HD2 PRO A   7       1.551  -1.103  -3.899  1.00  0.00      A       
ATOM     75  HD1 PRO A   7       2.171  -0.871  -2.252  1.00  0.00      A       
ATOM     76  HG2 PRO A   7       0.604   0.996  -3.973  1.00  0.00      A       
ATOM     77  HG1 PRO A   7       1.898   1.348  -2.812  1.00  0.00      A       
ATOM     78  N   PRO A   7       0.103  -1.299  -2.371  1.00  0.00      A       
ATOM     79  O   PRO A   7      -2.083  -0.211  -3.901  1.00  0.00      A       
ATOM     80  C   GLU A   8      -4.914   1.607  -2.803  1.00  0.00      A       
ATOM     81  CA  GLU A   8      -4.526   0.140  -2.618  1.00  0.00      A       
ATOM     82  CB  GLU A   8      -5.611  -0.568  -1.803  1.00  0.00      A       
ATOM     83  CD  GLU A   8      -6.964  -2.670  -1.406  1.00  0.00      A       
ATOM     84  CG  GLU A   8      -5.788  -2.040  -2.140  1.00  0.00      A       
ATOM     85  HN  GLU A   8      -3.170   0.043  -0.993  1.00  0.00      A       
ATOM     86  HA  GLU A   8      -4.460  -0.326  -3.589  1.00  0.00      A       
ATOM     87  HB2 GLU A   8      -5.362  -0.493  -0.755  1.00  0.00      A       
ATOM     88  HB1 GLU A   8      -6.552  -0.068  -1.974  1.00  0.00      A       
ATOM     89  HG2 GLU A   8      -5.956  -2.135  -3.202  1.00  0.00      A       
ATOM     90  HG1 GLU A   8      -4.887  -2.570  -1.868  1.00  0.00      A       
ATOM     91  N   GLU A   8      -3.225   0.006  -1.973  1.00  0.00      A       
ATOM     92  O   GLU A   8      -4.868   2.135  -3.911  1.00  0.00      A       
ATOM     93  OE1 GLU A   8      -7.347  -3.808  -1.740  1.00  0.00      A       
ATOM     94  C   TYR A   9      -4.717   4.579  -1.146  1.00  0.00      A       
ATOM     95  CA  TYR A   9      -5.743   3.649  -1.779  1.00  0.00      A       
ATOM     96  CB  TYR A   9      -7.096   3.847  -1.086  1.00  0.00      A       
ATOM     97  CD1 TYR A   9      -8.322   1.673  -1.515  1.00  0.00      A       
ATOM     98  CD2 TYR A   9      -9.221   3.676  -2.441  1.00  0.00      A       
ATOM     99  CE1 TYR A   9      -9.358   0.945  -2.067  1.00  0.00      A       
ATOM    100  CE2 TYR A   9     -10.262   2.955  -2.996  1.00  0.00      A       
ATOM    101  CG  TYR A   9      -8.234   3.049  -1.691  1.00  0.00      A       
ATOM    102  CZ  TYR A   9     -10.324   1.591  -2.806  1.00  0.00      A       
ATOM    103  HN  TYR A   9      -5.355   1.781  -0.856  1.00  0.00      A       
ATOM    104  HA  TYR A   9      -5.848   3.912  -2.821  1.00  0.00      A       
ATOM    105  HB2 TYR A   9      -7.004   3.558  -0.053  1.00  0.00      A       
ATOM    106  HB1 TYR A   9      -7.364   4.893  -1.135  1.00  0.00      A       
ATOM    107  HD1 TYR A   9      -7.562   1.169  -0.934  1.00  0.00      A       
ATOM    108  HD2 TYR A   9      -9.170   4.745  -2.588  1.00  0.00      A       
ATOM    109  HE1 TYR A   9      -9.406  -0.122  -1.917  1.00  0.00      A       
ATOM    110  HE2 TYR A   9     -11.020   3.461  -3.576  1.00  0.00      A       
ATOM    111  HH  TYR A   9     -11.821   1.413  -4.000  1.00  0.00      A       
ATOM    112  N   TYR A   9      -5.322   2.255  -1.717  1.00  0.00      A       
ATOM    113  O   TYR A   9      -4.134   4.269  -0.103  1.00  0.00      A       
ATOM    114  OH  TYR A   9     -11.357   0.870  -3.357  1.00  0.00      A       
ATOM    115  C   PHE A  10      -4.384   7.995  -0.935  1.00  0.00      A       
ATOM    116  CA  PHE A  10      -3.601   6.743  -1.304  1.00  0.00      A       
ATOM    117  CB  PHE A  10      -2.565   7.118  -2.373  1.00  0.00      A       
ATOM    118  CD1 PHE A  10      -2.419   4.977  -3.701  1.00  0.00      A       
ATOM    119  CD2 PHE A  10      -0.416   5.889  -2.784  1.00  0.00      A       
ATOM    120  CE1 PHE A  10      -1.698   3.933  -4.248  1.00  0.00      A       
ATOM    121  CE2 PHE A  10       0.310   4.847  -3.325  1.00  0.00      A       
ATOM    122  CG  PHE A  10      -1.787   5.967  -2.961  1.00  0.00      A       
ATOM    123  CZ  PHE A  10      -0.332   3.868  -4.059  1.00  0.00      A       
ATOM    124  HN  PHE A  10      -5.046   5.906  -2.591  1.00  0.00      A       
ATOM    125  HA  PHE A  10      -3.097   6.363  -0.428  1.00  0.00      A       
ATOM    126  HB2 PHE A  10      -3.070   7.618  -3.183  1.00  0.00      A       
ATOM    127  HB1 PHE A  10      -1.853   7.804  -1.936  1.00  0.00      A       
ATOM    128  HD1 PHE A  10      -3.487   5.027  -3.848  1.00  0.00      A       
ATOM    129  HD2 PHE A  10       0.088   6.652  -2.209  1.00  0.00      A       
ATOM    130  HE1 PHE A  10      -2.203   3.170  -4.820  1.00  0.00      A       
ATOM    131  HE2 PHE A  10       1.378   4.796  -3.177  1.00  0.00      A       
ATOM    132  HZ  PHE A  10       0.234   3.054  -4.485  1.00  0.00      A       
ATOM    133  N   PHE A  10      -4.527   5.727  -1.781  1.00  0.00      A       
ATOM    134  O   PHE A  10      -5.403   8.296  -1.552  1.00  0.00      A       
ATOM    135  C   VAL A  11      -4.098  11.142  -0.342  1.00  0.00      A       
ATOM    136  CA  VAL A  11      -4.577   9.948   0.482  1.00  0.00      A       
ATOM    137  CB  VAL A  11      -4.370  10.237   1.985  1.00  0.00      A       
ATOM    138  CG1 VAL A  11      -5.033   9.160   2.827  1.00  0.00      A       
ATOM    139  CG2 VAL A  11      -2.890  10.348   2.323  1.00  0.00      A       
ATOM    140  HN  VAL A  11      -3.087   8.436   0.513  1.00  0.00      A       
ATOM    141  HA  VAL A  11      -5.635   9.816   0.310  1.00  0.00      A       
ATOM    142  HB  VAL A  11      -4.841  11.182   2.216  1.00  0.00      A       
ATOM    143 HG11 VAL A  11      -5.600   8.500   2.187  1.00  0.00      A       
ATOM    144 HG12 VAL A  11      -5.696   9.622   3.544  1.00  0.00      A       
ATOM    145 HG13 VAL A  11      -4.277   8.593   3.349  1.00  0.00      A       
ATOM    146 HG21 VAL A  11      -2.773  10.485   3.388  1.00  0.00      A       
ATOM    147 HG22 VAL A  11      -2.464  11.194   1.803  1.00  0.00      A       
ATOM    148 HG23 VAL A  11      -2.382   9.445   2.018  1.00  0.00      A       
ATOM    149  N   VAL A  11      -3.908   8.723   0.061  1.00  0.00      A       
ATOM    150  O   VAL A  11      -3.432  10.970  -1.364  1.00  0.00      A       
ATOM    151  C   GLY A  12      -2.564  13.704  -0.784  1.00  0.00      A       
ATOM    152  CA  GLY A  12      -4.060  13.557  -0.601  1.00  0.00      A       
ATOM    153  HN  GLY A  12      -4.981  12.412   0.922  1.00  0.00      A       
ATOM    154  HA2 GLY A  12      -4.520  13.548  -1.568  1.00  0.00      A       
ATOM    155  HA1 GLY A  12      -4.427  14.410  -0.050  1.00  0.00      A       
ATOM    156  N   GLY A  12      -4.445  12.345   0.106  1.00  0.00      A       
ATOM    157  O   GLY A  12      -2.099  14.097  -1.849  1.00  0.00      A       
ATOM    158  C   ILE A  13       0.290  12.225  -0.359  1.00  0.00      A       
ATOM    159  CA  ILE A  13      -0.355  13.495   0.200  1.00  0.00      A       
ATOM    160  CB  ILE A  13       0.243  13.820   1.587  1.00  0.00      A       
ATOM    161  CD1 ILE A  13       0.281  13.080   4.030  1.00  0.00      A       
ATOM    162  CG1 ILE A  13      -0.312  12.868   2.652  1.00  0.00      A       
ATOM    163  CG2 ILE A  13      -0.046  15.270   1.956  1.00  0.00      A       
ATOM    164  HN  ILE A  13      -2.243  13.083   1.071  1.00  0.00      A       
ATOM    165  HA  ILE A  13      -0.118  14.312  -0.465  1.00  0.00      A       
ATOM    166  HB  ILE A  13       1.314  13.698   1.527  1.00  0.00      A       
ATOM    167 HD11 ILE A  13       0.282  14.134   4.263  1.00  0.00      A       
ATOM    168 HD12 ILE A  13       1.295  12.707   4.047  1.00  0.00      A       
ATOM    169 HD13 ILE A  13      -0.310  12.550   4.762  1.00  0.00      A       
ATOM    170 HG12 ILE A  13      -1.379  13.006   2.728  1.00  0.00      A       
ATOM    171 HG11 ILE A  13      -0.105  11.849   2.356  1.00  0.00      A       
ATOM    172 HG21 ILE A  13       0.072  15.894   1.083  1.00  0.00      A       
ATOM    173 HG22 ILE A  13       0.645  15.589   2.722  1.00  0.00      A       
ATOM    174 HG23 ILE A  13      -1.057  15.354   2.323  1.00  0.00      A       
ATOM    175  N   ILE A  13      -1.812  13.390   0.254  1.00  0.00      A       
ATOM    176  O   ILE A  13       1.403  11.862   0.019  1.00  0.00      A       
ATOM    177  C   GLY A  14       0.522   9.284  -0.951  1.00  0.00      A       
ATOM    178  CA  GLY A  14       0.069  10.362  -1.921  1.00  0.00      A       
ATOM    179  HN  GLY A  14      -1.292  11.940  -1.540  1.00  0.00      A       
ATOM    180  HA2 GLY A  14      -0.721   9.959  -2.538  1.00  0.00      A       
ATOM    181  HA1 GLY A  14       0.902  10.625  -2.559  1.00  0.00      A       
ATOM    182  N   GLY A  14      -0.420  11.574  -1.276  1.00  0.00      A       
ATOM    183  O   GLY A  14       1.399   8.484  -1.273  1.00  0.00      A       
ATOM    184  C   THR A  15      -0.760   7.153   1.277  1.00  0.00      A       
ATOM    185  CA  THR A  15       0.288   8.260   1.225  1.00  0.00      A       
ATOM    186  CB  THR A  15       0.431   8.904   2.616  1.00  0.00      A       
ATOM    187  CG2 THR A  15       1.032   7.926   3.616  1.00  0.00      A       
ATOM    188  HN  THR A  15      -0.765   9.909   0.435  1.00  0.00      A       
ATOM    189  HA  THR A  15       1.240   7.831   0.946  1.00  0.00      A       
ATOM    190  HB  THR A  15      -0.548   9.199   2.964  1.00  0.00      A       
ATOM    191  HG1 THR A  15       1.539  10.194   1.606  1.00  0.00      A       
ATOM    192 HG21 THR A  15       2.108   7.943   3.535  1.00  0.00      A       
ATOM    193 HG22 THR A  15       0.670   6.930   3.407  1.00  0.00      A       
ATOM    194 HG23 THR A  15       0.741   8.211   4.617  1.00  0.00      A       
ATOM    195  N   THR A  15      -0.070   9.252   0.229  1.00  0.00      A       
ATOM    196  O   THR A  15      -1.935   7.415   1.534  1.00  0.00      A       
ATOM    197  OG1 THR A  15       1.265  10.066   2.522  1.00  0.00      A       
ATOM    198  C   PRO A  16      -1.563   4.267   2.438  1.00  0.00      A       
ATOM    199  CA  PRO A  16      -1.272   4.773   1.030  1.00  0.00      A       
ATOM    200  CB  PRO A  16      -0.525   3.714   0.226  1.00  0.00      A       
ATOM    201  CD  PRO A  16       1.023   5.504   0.681  1.00  0.00      A       
ATOM    202  CG  PRO A  16       0.922   4.019   0.428  1.00  0.00      A       
ATOM    203  HA  PRO A  16      -2.202   5.012   0.536  1.00  0.00      A       
ATOM    204  HB2 PRO A  16      -0.777   2.732   0.600  1.00  0.00      A       
ATOM    205  HB1 PRO A  16      -0.804   3.789  -0.814  1.00  0.00      A       
ATOM    206  HD2 PRO A  16       1.690   5.699   1.507  1.00  0.00      A       
ATOM    207  HD1 PRO A  16       1.365   6.014  -0.207  1.00  0.00      A       
ATOM    208  HG2 PRO A  16       1.295   3.471   1.279  1.00  0.00      A       
ATOM    209  HG1 PRO A  16       1.476   3.755  -0.461  1.00  0.00      A       
ATOM    210  N   PRO A  16      -0.356   5.905   1.018  1.00  0.00      A       
ATOM    211  O   PRO A  16      -0.652   3.917   3.188  1.00  0.00      A       
ATOM    212  C   ILE A  17      -4.073   2.455   3.917  1.00  0.00      A       
ATOM    213  CA  ILE A  17      -3.248   3.726   4.097  1.00  0.00      A       
ATOM    214  CB  ILE A  17      -4.047   4.790   4.893  1.00  0.00      A       
ATOM    215  CD1 ILE A  17      -4.036   7.242   5.605  1.00  0.00      A       
ATOM    216  CG1 ILE A  17      -3.352   6.152   4.806  1.00  0.00      A       
ATOM    217  CG2 ILE A  17      -4.187   4.372   6.356  1.00  0.00      A       
ATOM    218  HN  ILE A  17      -3.522   4.488   2.140  1.00  0.00      A       
ATOM    219  HA  ILE A  17      -2.354   3.482   4.654  1.00  0.00      A       
ATOM    220  HB  ILE A  17      -5.037   4.866   4.466  1.00  0.00      A       
ATOM    221 HD11 ILE A  17      -4.207   8.099   4.970  1.00  0.00      A       
ATOM    222 HD12 ILE A  17      -3.407   7.529   6.434  1.00  0.00      A       
ATOM    223 HD13 ILE A  17      -4.980   6.875   5.977  1.00  0.00      A       
ATOM    224 HG12 ILE A  17      -2.341   6.057   5.175  1.00  0.00      A       
ATOM    225 HG11 ILE A  17      -3.322   6.467   3.773  1.00  0.00      A       
ATOM    226 HG21 ILE A  17      -3.242   4.504   6.858  1.00  0.00      A       
ATOM    227 HG22 ILE A  17      -4.481   3.335   6.408  1.00  0.00      A       
ATOM    228 HG23 ILE A  17      -4.938   4.984   6.835  1.00  0.00      A       
ATOM    229  N   ILE A  17      -2.838   4.212   2.786  1.00  0.00      A       
ATOM    230  O   ILE A  17      -5.073   2.218   4.594  1.00  0.00      A       
ATOM    231  C   SER A  18      -3.454  -0.344   1.594  1.00  0.00      A       
ATOM    232  CA  SER A  18      -4.271   0.383   2.645  1.00  0.00      A       
ATOM    233  CB  SER A  18      -5.697   0.606   2.134  1.00  0.00      A       
ATOM    234  HN  SER A  18      -2.825   1.903   2.472  1.00  0.00      A       
ATOM    235  HA  SER A  18      -4.304  -0.219   3.541  1.00  0.00      A       
ATOM    236  HB2 SER A  18      -6.086  -0.324   1.747  1.00  0.00      A       
ATOM    237  HB1 SER A  18      -6.318   0.943   2.948  1.00  0.00      A       
ATOM    238  HG  SER A  18      -5.363   2.405   1.434  1.00  0.00      A       
ATOM    239  N   SER A  18      -3.627   1.643   2.972  1.00  0.00      A       
ATOM    240  O   SER A  18      -2.839   0.287   0.733  1.00  0.00      A       
ATOM    241  OG  SER A  18      -5.724   1.577   1.099  1.00  0.00      A       
ATOM    242  C   PHE A  19      -3.596  -3.579   0.176  1.00  0.00      A       
ATOM    243  CA  PHE A  19      -2.701  -2.467   0.709  1.00  0.00      A       
ATOM    244  CB  PHE A  19      -1.442  -3.062   1.353  1.00  0.00      A       
ATOM    245  CD1 PHE A  19      -0.652  -1.342   3.013  1.00  0.00      A       
ATOM    246  CD2 PHE A  19       0.708  -1.789   1.107  1.00  0.00      A       
ATOM    247  CE1 PHE A  19       0.268  -0.412   3.455  1.00  0.00      A       
ATOM    248  CE2 PHE A  19       1.632  -0.861   1.545  1.00  0.00      A       
ATOM    249  CG  PHE A  19      -0.446  -2.041   1.833  1.00  0.00      A       
ATOM    250  CZ  PHE A  19       1.412  -0.171   2.720  1.00  0.00      A       
ATOM    251  HN  PHE A  19      -3.960  -2.107   2.375  1.00  0.00      A       
ATOM    252  HA  PHE A  19      -2.411  -1.829  -0.113  1.00  0.00      A       
ATOM    253  HB2 PHE A  19      -1.737  -3.657   2.203  1.00  0.00      A       
ATOM    254  HB1 PHE A  19      -0.948  -3.697   0.632  1.00  0.00      A       
ATOM    255  HD1 PHE A  19      -1.546  -1.529   3.590  1.00  0.00      A       
ATOM    256  HD2 PHE A  19       0.881  -2.328   0.186  1.00  0.00      A       
ATOM    257  HE1 PHE A  19       0.093   0.127   4.376  1.00  0.00      A       
ATOM    258  HE2 PHE A  19       2.526  -0.676   0.969  1.00  0.00      A       
ATOM    259  HZ  PHE A  19       2.134   0.556   3.064  1.00  0.00      A       
ATOM    260  N   PHE A  19      -3.446  -1.660   1.662  1.00  0.00      A       
ATOM    261  O   PHE A  19      -4.787  -3.591   0.455  1.00  0.00      A       
ATOM    262  C   TYR A  20      -3.225  -6.922  -0.735  1.00  0.00      A       
ATOM    263  CA  TYR A  20      -3.810  -5.590  -1.158  1.00  0.00      A       
ATOM    264  CB  TYR A  20      -3.802  -5.500  -2.684  1.00  0.00      A       
ATOM    265  CD1 TYR A  20      -6.112  -6.498  -2.902  1.00  0.00      A       
ATOM    266  CD2 TYR A  20      -4.438  -7.184  -4.453  1.00  0.00      A       
ATOM    267  CE1 TYR A  20      -7.030  -7.328  -3.517  1.00  0.00      A       
ATOM    268  CE2 TYR A  20      -5.349  -8.016  -5.075  1.00  0.00      A       
ATOM    269  CG  TYR A  20      -4.804  -6.411  -3.358  1.00  0.00      A       
ATOM    270  CZ  TYR A  20      -6.643  -8.085  -4.602  1.00  0.00      A       
ATOM    271  HN  TYR A  20      -2.070  -4.431  -0.796  1.00  0.00      A       
ATOM    272  HA  TYR A  20      -4.823  -5.513  -0.800  1.00  0.00      A       
ATOM    273  HB2 TYR A  20      -4.016  -4.489  -2.975  1.00  0.00      A       
ATOM    274  HB1 TYR A  20      -2.820  -5.768  -3.042  1.00  0.00      A       
ATOM    275  HD1 TYR A  20      -6.414  -5.903  -2.052  1.00  0.00      A       
ATOM    276  HD2 TYR A  20      -3.424  -7.127  -4.821  1.00  0.00      A       
ATOM    277  HE1 TYR A  20      -8.042  -7.383  -3.147  1.00  0.00      A       
ATOM    278  HE2 TYR A  20      -5.045  -8.610  -5.925  1.00  0.00      A       
ATOM    279  HH  TYR A  20      -8.323  -9.017  -4.655  1.00  0.00      A       
ATOM    280  N   TYR A  20      -3.032  -4.496  -0.591  1.00  0.00      A       
ATOM    281  O   TYR A  20      -3.864  -7.716  -0.047  1.00  0.00      A       
ATOM    282  OH  TYR A  20      -7.552  -8.914  -5.218  1.00  0.00      A       
ATOM    283  C   GLY A  21       0.190  -8.155  -0.998  1.00  0.00      A       
ATOM    284  CA  GLY A  21      -1.294  -8.357  -0.839  1.00  0.00      A       
ATOM    285  HN  GLY A  21      -1.559  -6.454  -1.702  1.00  0.00      A       
ATOM    286  HA2 GLY A  21      -1.510  -8.641   0.181  1.00  0.00      A       
ATOM    287  HA1 GLY A  21      -1.617  -9.143  -1.504  1.00  0.00      A       
ATOM    288  N   GLY A  21      -2.000  -7.140  -1.157  1.00  0.00      A       
ATOM    289  OT1 GLY A  21       0.978  -8.978  -0.495  1.00  0.00      A       
ATOM    290  OT2 GLY A  21       0.574  -7.124  -1.590  1.00  0.00      A       
END


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