NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
481114 1az6 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   THR A   1      -7.247  -8.082  -5.729  1.00  0.00      A       
ATOM      2  CA  THR A   1      -6.956  -9.180  -4.669  1.00  0.00      A       
ATOM      3  CB  THR A   1      -6.519 -10.488  -5.380  1.00  0.00      A       
ATOM      4  CG2 THR A   1      -5.982 -11.542  -4.404  1.00  0.00      A       
ATOM      5  HT1 THR A   1      -8.483  -8.602  -3.350  1.00  0.00      A       
ATOM      6  HT2 THR A   1      -8.826  -9.911  -4.315  1.00  0.00      A       
ATOM      7  HT3 THR A   1      -7.834 -10.089  -3.026  1.00  0.00      A       
ATOM      8  HA  THR A   1      -6.117  -8.851  -4.055  1.00  0.00      A       
ATOM      9  HB  THR A   1      -5.735 -10.282  -6.119  1.00  0.00      A       
ATOM     10  HG1 THR A   1      -7.649 -10.873  -6.941  1.00  0.00      A       
ATOM     11 HG21 THR A   1      -5.193 -11.128  -3.777  1.00  0.00      A       
ATOM     12 HG22 THR A   1      -6.776 -11.941  -3.772  1.00  0.00      A       
ATOM     13 HG23 THR A   1      -5.568 -12.371  -4.981  1.00  0.00      A       
ATOM     14  N   THR A   1      -8.113  -9.453  -3.759  1.00  0.00      A       
ATOM     15  O   THR A   1      -7.872  -8.376  -6.742  1.00  0.00      A       
ATOM     16  OG1 THR A   1      -7.649 -11.077  -5.994  1.00  0.00      A       
ATOM     17  C   GLN A   2      -5.977  -4.852  -6.800  1.00  0.00      A       
ATOM     18  CA  GLN A   2      -7.216  -5.636  -6.298  1.00  0.00      A       
ATOM     19  CB  GLN A   2      -8.160  -4.743  -5.473  1.00  0.00      A       
ATOM     20  CD  GLN A   2      -9.262  -3.686  -7.535  1.00  0.00      A       
ATOM     21  CG  GLN A   2      -8.550  -3.444  -6.208  1.00  0.00      A       
ATOM     22  HN  GLN A   2      -6.295  -6.637  -4.661  1.00  0.00      A       
ATOM     23  HA  GLN A   2      -7.770  -5.963  -7.182  1.00  0.00      A       
ATOM     24  HB2 GLN A   2      -9.067  -5.303  -5.235  1.00  0.00      A       
ATOM     25  HB1 GLN A   2      -7.675  -4.476  -4.535  1.00  0.00      A       
ATOM     26 HE21 GLN A   2      -7.989  -2.499  -8.597  1.00  0.00      A       
ATOM     27 HE22 GLN A   2      -9.285  -3.311  -9.475  1.00  0.00      A       
ATOM     28  HG2 GLN A   2      -9.225  -2.864  -5.576  1.00  0.00      A       
ATOM     29  HG1 GLN A   2      -7.658  -2.844  -6.379  1.00  0.00      A       
ATOM     30  N   GLN A   2      -6.863  -6.820  -5.483  1.00  0.00      A       
ATOM     31  NE2 GLN A   2      -8.776  -3.126  -8.625  1.00  0.00      A       
ATOM     32  O   GLN A   2      -5.031  -4.612  -6.054  1.00  0.00      A       
ATOM     33  OE1 GLN A   2     -10.241  -4.407  -7.608  1.00  0.00      A       
ATOM     34  C   SER A   3      -4.395  -2.467  -8.431  1.00  0.00      A       
ATOM     35  CA  SER A   3      -4.727  -3.948  -8.742  1.00  0.00      A       
ATOM     36  CB  SER A   3      -4.848  -4.207 -10.254  1.00  0.00      A       
ATOM     37  HN  SER A   3      -6.744  -4.639  -8.667  1.00  0.00      A       
ATOM     38  HA  SER A   3      -3.857  -4.518  -8.407  1.00  0.00      A       
ATOM     39  HB2 SER A   3      -3.925  -3.921 -10.766  1.00  0.00      A       
ATOM     40  HB1 SER A   3      -5.009  -5.274 -10.436  1.00  0.00      A       
ATOM     41  HG  SER A   3      -5.733  -2.529 -10.711  1.00  0.00      A       
ATOM     42  N   SER A   3      -5.934  -4.478  -8.083  1.00  0.00      A       
ATOM     43  O   SER A   3      -4.373  -1.631  -9.335  1.00  0.00      A       
ATOM     44  OG  SER A   3      -5.940  -3.472 -10.776  1.00  0.00      A       
ATOM     45  C   HIS A   4      -2.148  -0.556  -7.401  1.00  0.00      A       
ATOM     46  CA  HIS A   4      -3.544  -0.821  -6.785  1.00  0.00      A       
ATOM     47  CB  HIS A   4      -3.492  -0.669  -5.252  1.00  0.00      A       
ATOM     48  CD2 HIS A   4      -5.184   0.083  -3.440  1.00  0.00      A       
ATOM     49  CE1 HIS A   4      -6.776  -1.329  -3.906  1.00  0.00      A       
ATOM     50  CG  HIS A   4      -4.811  -0.662  -4.525  1.00  0.00      A       
ATOM     51  HN  HIS A   4      -4.240  -2.828  -6.450  1.00  0.00      A       
ATOM     52  HA  HIS A   4      -4.221  -0.045  -7.150  1.00  0.00      A       
ATOM     53  HB2 HIS A   4      -2.885  -1.456  -4.814  1.00  0.00      A       
ATOM     54  HB1 HIS A   4      -3.009   0.283  -5.024  1.00  0.00      A       
ATOM     55  HD2 HIS A   4      -4.581   0.826  -2.935  1.00  0.00      A       
ATOM     56  HE1 HIS A   4      -7.707  -1.872  -3.838  1.00  0.00      A       
ATOM     57  HE2 HIS A   4      -6.943  -0.047  -2.237  1.00  0.00      A       
ATOM     58  N   HIS A   4      -4.086  -2.134  -7.172  1.00  0.00      A       
ATOM     59  ND1 HIS A   4      -5.841  -1.551  -4.834  1.00  0.00      A       
ATOM     60  NE2 HIS A   4      -6.430  -0.357  -3.053  1.00  0.00      A       
ATOM     61  O   HIS A   4      -1.125  -0.982  -6.865  1.00  0.00      A       
ATOM     62  C   ALA A   5       0.020   1.522  -8.262  1.00  0.00      A       
ATOM     63  CA  ALA A   5      -0.880   0.653  -9.180  1.00  0.00      A       
ATOM     64  CB  ALA A   5      -1.286   1.403 -10.457  1.00  0.00      A       
ATOM     65  HN  ALA A   5      -2.988   0.374  -8.961  1.00  0.00      A       
ATOM     66  HA  ALA A   5      -0.290  -0.211  -9.497  1.00  0.00      A       
ATOM     67  HB1 ALA A   5      -1.934   2.245 -10.204  1.00  0.00      A       
ATOM     68  HB2 ALA A   5      -0.397   1.782 -10.965  1.00  0.00      A       
ATOM     69  HB3 ALA A   5      -1.818   0.737 -11.138  1.00  0.00      A       
ATOM     70  N   ALA A   5      -2.102   0.166  -8.526  1.00  0.00      A       
ATOM     71  O   ALA A   5       0.015   2.749  -8.328  1.00  0.00      A       
ATOM     72  C   GLY A   6       1.162   1.678  -5.034  1.00  0.00      A       
ATOM     73  CA  GLY A   6       1.733   1.500  -6.451  1.00  0.00      A       
ATOM     74  HN  GLY A   6       0.624  -0.120  -7.309  1.00  0.00      A       
ATOM     75  HA2 GLY A   6       2.605   0.844  -6.382  1.00  0.00      A       
ATOM     76  HA1 GLY A   6       2.083   2.465  -6.822  1.00  0.00      A       
ATOM     77  N   GLY A   6       0.793   0.876  -7.387  1.00  0.00      A       
ATOM     78  O   GLY A   6       1.457   0.885  -4.145  1.00  0.00      A       
ATOM     79  C   GLN A   7      -1.198   2.034  -2.899  1.00  0.00      A       
ATOM     80  CA  GLN A   7      -0.117   3.023  -3.416  1.00  0.00      A       
ATOM     81  CB  GLN A   7      -0.517   4.509  -3.320  1.00  0.00      A       
ATOM     82  CD  GLN A   7      -0.927   6.419  -1.615  1.00  0.00      A       
ATOM     83  CG  GLN A   7      -0.826   4.914  -1.859  1.00  0.00      A       
ATOM     84  HN  GLN A   7       0.142   3.349  -5.533  1.00  0.00      A       
ATOM     85  HA  GLN A   7       0.732   2.925  -2.732  1.00  0.00      A       
ATOM     86  HB2 GLN A   7       0.325   5.110  -3.672  1.00  0.00      A       
ATOM     87  HB1 GLN A   7      -1.378   4.720  -3.957  1.00  0.00      A       
ATOM     88 HE21 GLN A   7      -1.565   6.145   0.284  1.00  0.00      A       
ATOM     89 HE22 GLN A   7      -1.386   7.815  -0.287  1.00  0.00      A       
ATOM     90  HG2 GLN A   7      -1.770   4.462  -1.548  1.00  0.00      A       
ATOM     91  HG1 GLN A   7      -0.033   4.545  -1.208  1.00  0.00      A       
ATOM     92  N   GLN A   7       0.370   2.722  -4.775  1.00  0.00      A       
ATOM     93  NE2 GLN A   7      -1.318   6.824  -0.425  1.00  0.00      A       
ATOM     94  O   GLN A   7      -2.389   2.330  -2.919  1.00  0.00      A       
ATOM     95  OE1 GLN A   7      -0.639   7.243  -2.469  1.00  0.00      A       
ATOM     96  C   CYS A   8      -2.309   0.632  -0.392  1.00  0.00      A       
ATOM     97  CA  CYS A   8      -1.633  -0.049  -1.612  1.00  0.00      A       
ATOM     98  CB  CYS A   8      -0.838  -1.301  -1.195  1.00  0.00      A       
ATOM     99  HN  CYS A   8       0.204   0.653  -2.510  1.00  0.00      A       
ATOM    100  HA  CYS A   8      -2.433  -0.393  -2.270  1.00  0.00      A       
ATOM    101  HB2 CYS A   8      -1.530  -2.046  -0.802  1.00  0.00      A       
ATOM    102  HB1 CYS A   8      -0.348  -1.731  -2.062  1.00  0.00      A       
ATOM    103  N   CYS A   8      -0.777   0.868  -2.388  1.00  0.00      A       
ATOM    104  O   CYS A   8      -3.486   0.405  -0.125  1.00  0.00      A       
ATOM    105  SG  CYS A   8       0.440  -1.047   0.059  1.00  0.00      A       
ATOM    106  C   GLY A   9      -1.425   3.539   1.813  1.00  0.00      A       
ATOM    107  CA  GLY A   9      -2.017   2.133   1.571  1.00  0.00      A       
ATOM    108  HN  GLY A   9      -0.590   1.567   0.068  1.00  0.00      A       
ATOM    109  HA2 GLY A   9      -3.102   2.247   1.562  1.00  0.00      A       
ATOM    110  HA1 GLY A   9      -1.768   1.481   2.409  1.00  0.00      A       
ATOM    111  N   GLY A   9      -1.558   1.463   0.348  1.00  0.00      A       
ATOM    112  O   GLY A   9      -1.790   4.504   1.146  1.00  0.00      A       
ATOM    113  C   GLY A  10      -1.058   5.300   4.637  1.00  0.00      A       
ATOM    114  CA  GLY A  10      -0.167   4.951   3.429  1.00  0.00      A       
ATOM    115  HN  GLY A  10      -0.334   2.825   3.326  1.00  0.00      A       
ATOM    116  HA2 GLY A  10       0.869   4.868   3.757  1.00  0.00      A       
ATOM    117  HA1 GLY A  10      -0.222   5.765   2.702  1.00  0.00      A       
ATOM    118  N   GLY A  10      -0.557   3.667   2.825  1.00  0.00      A       
ATOM    119  O   GLY A  10      -2.230   5.625   4.474  1.00  0.00      A       
ATOM    120  C   ILE A  11      -2.141   6.490   7.290  1.00  0.00      A       
ATOM    121  CA  ILE A  11      -1.389   5.144   7.091  1.00  0.00      A       
ATOM    122  CB  ILE A  11      -0.548   4.709   8.316  1.00  0.00      A       
ATOM    123  CD1 ILE A  11       0.970   2.808   9.192  1.00  0.00      A       
ATOM    124  CG1 ILE A  11       0.057   3.307   8.066  1.00  0.00      A       
ATOM    125  CG2 ILE A  11      -1.416   4.682   9.589  1.00  0.00      A       
ATOM    126  HN  ILE A  11       0.420   4.902   5.957  1.00  0.00      A       
ATOM    127  HA  ILE A  11      -2.147   4.368   6.966  1.00  0.00      A       
ATOM    128  HB  ILE A  11       0.263   5.429   8.461  1.00  0.00      A       
ATOM    129 HD11 ILE A  11       1.707   3.569   9.442  1.00  0.00      A       
ATOM    130 HD12 ILE A  11       0.385   2.558  10.077  1.00  0.00      A       
ATOM    131 HD13 ILE A  11       1.491   1.909   8.860  1.00  0.00      A       
ATOM    132 HG12 ILE A  11      -0.748   2.583   7.919  1.00  0.00      A       
ATOM    133 HG11 ILE A  11       0.660   3.318   7.159  1.00  0.00      A       
ATOM    134 HG21 ILE A  11      -1.869   5.656   9.773  1.00  0.00      A       
ATOM    135 HG22 ILE A  11      -2.206   3.938   9.488  1.00  0.00      A       
ATOM    136 HG23 ILE A  11      -0.811   4.437  10.461  1.00  0.00      A       
ATOM    137  N   ILE A  11      -0.561   5.125   5.866  1.00  0.00      A       
ATOM    138  O   ILE A  11      -1.522   7.542   7.402  1.00  0.00      A       
ATOM    139  C   GLY A  12      -5.001   7.554   5.566  1.00  0.00      A       
ATOM    140  CA  GLY A  12      -4.361   7.600   6.977  1.00  0.00      A       
ATOM    141  HN  GLY A  12      -3.899   5.535   7.280  1.00  0.00      A       
ATOM    142  HA2 GLY A  12      -5.175   7.617   7.703  1.00  0.00      A       
ATOM    143  HA1 GLY A  12      -3.821   8.545   7.066  1.00  0.00      A       
ATOM    144  N   GLY A  12      -3.480   6.451   7.282  1.00  0.00      A       
ATOM    145  O   GLY A  12      -5.542   8.544   5.083  1.00  0.00      A       
ATOM    146  C   TYR A  13      -6.903   6.497   3.264  1.00  0.00      A       
ATOM    147  CA  TYR A  13      -5.424   6.115   3.542  1.00  0.00      A       
ATOM    148  CB  TYR A  13      -5.118   4.634   3.188  1.00  0.00      A       
ATOM    149  CD1 TYR A  13      -6.508   3.277   4.857  1.00  0.00      A       
ATOM    150  CD2 TYR A  13      -4.082   3.021   4.875  1.00  0.00      A       
ATOM    151  CE1 TYR A  13      -6.599   2.473   6.015  1.00  0.00      A       
ATOM    152  CE2 TYR A  13      -4.175   2.205   6.023  1.00  0.00      A       
ATOM    153  CG  TYR A  13      -5.243   3.603   4.314  1.00  0.00      A       
ATOM    154  CZ  TYR A  13      -5.432   1.935   6.591  1.00  0.00      A       
ATOM    155  HN  TYR A  13      -4.400   5.666   5.329  1.00  0.00      A       
ATOM    156  HA  TYR A  13      -4.812   6.724   2.872  1.00  0.00      A       
ATOM    157  HB2 TYR A  13      -5.749   4.316   2.357  1.00  0.00      A       
ATOM    158  HB1 TYR A  13      -4.095   4.600   2.814  1.00  0.00      A       
ATOM    159  HD1 TYR A  13      -7.413   3.633   4.391  1.00  0.00      A       
ATOM    160  HD2 TYR A  13      -3.114   3.200   4.433  1.00  0.00      A       
ATOM    161  HE1 TYR A  13      -7.567   2.264   6.444  1.00  0.00      A       
ATOM    162  HE2 TYR A  13      -3.291   1.767   6.462  1.00  0.00      A       
ATOM    163  HH  TYR A  13      -6.434   0.976   7.907  1.00  0.00      A       
ATOM    164  N   TYR A  13      -4.952   6.392   4.904  1.00  0.00      A       
ATOM    165  O   TYR A  13      -7.832   5.925   3.829  1.00  0.00      A       
ATOM    166  OH  TYR A  13      -5.518   1.155   7.697  1.00  0.00      A       
ATOM    167  C   SER A  14      -9.127   6.651   0.918  1.00  0.00      A       
ATOM    168  CA  SER A  14      -8.499   7.750   1.820  1.00  0.00      A       
ATOM    169  CB  SER A  14      -8.426   9.110   1.091  1.00  0.00      A       
ATOM    170  HN  SER A  14      -6.370   7.933   1.956  1.00  0.00      A       
ATOM    171  HA  SER A  14      -9.168   7.885   2.674  1.00  0.00      A       
ATOM    172  HB2 SER A  14      -7.877   8.998   0.152  1.00  0.00      A       
ATOM    173  HB1 SER A  14      -9.433   9.467   0.854  1.00  0.00      A       
ATOM    174  HG  SER A  14      -8.059  10.031   2.795  1.00  0.00      A       
ATOM    175  N   SER A  14      -7.152   7.406   2.316  1.00  0.00      A       
ATOM    176  O   SER A  14      -9.668   6.951  -0.144  1.00  0.00      A       
ATOM    177  OG  SER A  14      -7.765  10.085   1.879  1.00  0.00      A       
ATOM    178  C   GLY A  15      -9.062   2.812   0.999  1.00  0.00      A       
ATOM    179  CA  GLY A  15      -9.525   4.220   0.532  1.00  0.00      A       
ATOM    180  HN  GLY A  15      -8.637   5.205   2.230  1.00  0.00      A       
ATOM    181  HA2 GLY A  15     -10.614   4.248   0.572  1.00  0.00      A       
ATOM    182  HA1 GLY A  15      -9.204   4.344  -0.503  1.00  0.00      A       
ATOM    183  N   GLY A  15      -9.047   5.371   1.317  1.00  0.00      A       
ATOM    184  O   GLY A  15      -8.335   2.685   1.986  1.00  0.00      A       
ATOM    185  C   PRO A  16      -7.838  -0.150   0.647  1.00  0.00      A       
ATOM    186  CA  PRO A  16      -9.305   0.335   0.733  1.00  0.00      A       
ATOM    187  CB  PRO A  16     -10.221  -0.506  -0.181  1.00  0.00      A       
ATOM    188  CD  PRO A  16     -10.396   1.775  -0.842  1.00  0.00      A       
ATOM    189  CG  PRO A  16     -11.224   0.497  -0.747  1.00  0.00      A       
ATOM    190  HA  PRO A  16      -9.671   0.235   1.756  1.00  0.00      A       
ATOM    191  HB2 PRO A  16      -9.660  -0.925  -1.022  1.00  0.00      A       
ATOM    192  HB1 PRO A  16     -10.715  -1.315   0.361  1.00  0.00      A       
ATOM    193  HD2 PRO A  16      -9.789   1.766  -1.750  1.00  0.00      A       
ATOM    194  HD1 PRO A  16     -11.067   2.635  -0.869  1.00  0.00      A       
ATOM    195  HG2 PRO A  16     -11.625   0.184  -1.714  1.00  0.00      A       
ATOM    196  HG1 PRO A  16     -12.042   0.642  -0.038  1.00  0.00      A       
ATOM    197  N   PRO A  16      -9.508   1.733   0.314  1.00  0.00      A       
ATOM    198  O   PRO A  16      -7.280  -0.226  -0.441  1.00  0.00      A       
ATOM    199  C   THR A  17      -5.187  -2.039   1.111  1.00  0.00      A       
ATOM    200  CA  THR A  17      -5.767  -0.833   1.905  1.00  0.00      A       
ATOM    201  CB  THR A  17      -5.438  -1.006   3.410  1.00  0.00      A       
ATOM    202  CG2 THR A  17      -3.967  -0.751   3.769  1.00  0.00      A       
ATOM    203  HN  THR A  17      -7.717  -0.418   2.636  1.00  0.00      A       
ATOM    204  HA  THR A  17      -5.247   0.059   1.563  1.00  0.00      A       
ATOM    205  HB  THR A  17      -5.726  -2.009   3.737  1.00  0.00      A       
ATOM    206  HG1 THR A  17      -5.961   0.806   3.871  1.00  0.00      A       
ATOM    207 HG21 THR A  17      -3.658   0.228   3.409  1.00  0.00      A       
ATOM    208 HG22 THR A  17      -3.839  -0.786   4.852  1.00  0.00      A       
ATOM    209 HG23 THR A  17      -3.310  -1.505   3.335  1.00  0.00      A       
ATOM    210  N   THR A  17      -7.221  -0.547   1.764  1.00  0.00      A       
ATOM    211  O   THR A  17      -3.987  -2.296   1.155  1.00  0.00      A       
ATOM    212  OG1 THR A  17      -6.180  -0.080   4.178  1.00  0.00      A       
ATOM    213  C   VAL A  18      -5.307  -4.294  -1.545  1.00  0.00      A       
ATOM    214  CA  VAL A  18      -5.655  -4.211  -0.030  1.00  0.00      A       
ATOM    215  CB  VAL A  18      -6.744  -5.222   0.411  1.00  0.00      A       
ATOM    216  CG1 VAL A  18      -8.154  -4.941  -0.141  1.00  0.00      A       
ATOM    217  CG2 VAL A  18      -6.342  -6.668   0.072  1.00  0.00      A       
ATOM    218  HN  VAL A  18      -6.971  -2.548   0.368  1.00  0.00      A       
ATOM    219  HA  VAL A  18      -4.762  -4.536   0.510  1.00  0.00      A       
ATOM    220  HB  VAL A  18      -6.819  -5.162   1.499  1.00  0.00      A       
ATOM    221 HG11 VAL A  18      -8.454  -3.912   0.058  1.00  0.00      A       
ATOM    222 HG12 VAL A  18      -8.199  -5.121  -1.215  1.00  0.00      A       
ATOM    223 HG13 VAL A  18      -8.875  -5.599   0.345  1.00  0.00      A       
ATOM    224 HG21 VAL A  18      -5.372  -6.902   0.513  1.00  0.00      A       
ATOM    225 HG22 VAL A  18      -7.079  -7.363   0.475  1.00  0.00      A       
ATOM    226 HG23 VAL A  18      -6.285  -6.805  -1.008  1.00  0.00      A       
ATOM    227  N   VAL A  18      -6.019  -2.860   0.456  1.00  0.00      A       
ATOM    228  O   VAL A  18      -6.199  -4.247  -2.390  1.00  0.00      A       
ATOM    229  C   CYS A  19      -3.919  -6.118  -3.881  1.00  0.00      A       
ATOM    230  CA  CYS A  19      -3.551  -4.710  -3.285  1.00  0.00      A       
ATOM    231  CB  CYS A  19      -2.046  -4.332  -3.384  1.00  0.00      A       
ATOM    232  HN  CYS A  19      -3.341  -4.472  -1.152  1.00  0.00      A       
ATOM    233  HA  CYS A  19      -4.072  -3.969  -3.892  1.00  0.00      A       
ATOM    234  HB2 CYS A  19      -1.857  -3.463  -2.758  1.00  0.00      A       
ATOM    235  HB1 CYS A  19      -1.426  -5.148  -3.020  1.00  0.00      A       
ATOM    236  N   CYS A  19      -4.022  -4.495  -1.895  1.00  0.00      A       
ATOM    237  O   CYS A  19      -4.866  -6.782  -3.441  1.00  0.00      A       
ATOM    238  SG  CYS A  19      -1.450  -3.827  -5.033  1.00  0.00      A       
ATOM    239  C   ALA A  20      -2.482  -8.973  -5.454  1.00  0.00      A       
ATOM    240  CA  ALA A  20      -3.459  -7.798  -5.719  1.00  0.00      A       
ATOM    241  CB  ALA A  20      -3.474  -7.397  -7.206  1.00  0.00      A       
ATOM    242  HN  ALA A  20      -2.489  -5.995  -5.275  1.00  0.00      A       
ATOM    243  HA  ALA A  20      -4.455  -8.173  -5.499  1.00  0.00      A       
ATOM    244  HB1 ALA A  20      -2.538  -6.910  -7.484  1.00  0.00      A       
ATOM    245  HB2 ALA A  20      -3.625  -8.269  -7.843  1.00  0.00      A       
ATOM    246  HB3 ALA A  20      -4.292  -6.711  -7.400  1.00  0.00      A       
ATOM    247  N   ALA A  20      -3.203  -6.594  -4.914  1.00  0.00      A       
ATOM    248  O   ALA A  20      -2.943 -10.086  -5.201  1.00  0.00      A       
ATOM    249  C   SER A  21       1.333  -8.991  -5.554  1.00  0.00      A       
ATOM    250  CA  SER A  21      -0.049  -9.691  -5.424  1.00  0.00      A       
ATOM    251  CB  SER A  21      -0.189 -10.870  -6.417  1.00  0.00      A       
ATOM    252  HN  SER A  21      -0.889  -7.761  -5.628  1.00  0.00      A       
ATOM    253  HA  SER A  21      -0.085 -10.094  -4.410  1.00  0.00      A       
ATOM    254  HB2 SER A  21      -1.194 -11.294  -6.389  1.00  0.00      A       
ATOM    255  HB1 SER A  21      -0.003 -10.529  -7.440  1.00  0.00      A       
ATOM    256  HG  SER A  21       0.622 -12.239  -5.229  1.00  0.00      A       
ATOM    257  N   SER A  21      -1.169  -8.731  -5.553  1.00  0.00      A       
ATOM    258  O   SER A  21       1.404  -7.770  -5.448  1.00  0.00      A       
ATOM    259  OG  SER A  21       0.736 -11.912  -6.130  1.00  0.00      A       
ATOM    260  C   GLY A  22       4.314 -10.242  -4.295  1.00  0.00      A       
ATOM    261  CA  GLY A  22       3.812  -9.439  -5.512  1.00  0.00      A       
ATOM    262  HN  GLY A  22       2.198 -10.746  -5.944  1.00  0.00      A       
ATOM    263  HA2 GLY A  22       4.400  -9.750  -6.377  1.00  0.00      A       
ATOM    264  HA1 GLY A  22       3.967  -8.367  -5.368  1.00  0.00      A       
ATOM    265  N   GLY A  22       2.401  -9.769  -5.769  1.00  0.00      A       
ATOM    266  O   GLY A  22       4.273 -11.473  -4.326  1.00  0.00      A       
ATOM    267  C   THR A  23       4.018  -9.437  -0.774  1.00  0.00      A       
ATOM    268  CA  THR A  23       4.826 -10.188  -1.856  1.00  0.00      A       
ATOM    269  CB  THR A  23       6.306 -10.413  -1.477  1.00  0.00      A       
ATOM    270  CG2 THR A  23       7.178  -9.159  -1.403  1.00  0.00      A       
ATOM    271  HN  THR A  23       4.808  -8.572  -3.290  1.00  0.00      A       
ATOM    272  HA  THR A  23       4.396 -11.194  -1.880  1.00  0.00      A       
ATOM    273  HB  THR A  23       6.741 -11.070  -2.237  1.00  0.00      A       
ATOM    274  HG1 THR A  23       7.311 -11.038   0.064  1.00  0.00      A       
ATOM    275 HG21 THR A  23       7.157  -8.630  -2.356  1.00  0.00      A       
ATOM    276 HG22 THR A  23       6.827  -8.494  -0.619  1.00  0.00      A       
ATOM    277 HG23 THR A  23       8.210  -9.433  -1.184  1.00  0.00      A       
ATOM    278  N   THR A  23       4.689  -9.583  -3.196  1.00  0.00      A       
ATOM    279  O   THR A  23       3.227 -10.047  -0.049  1.00  0.00      A       
ATOM    280  OG1 THR A  23       6.394 -11.057  -0.222  1.00  0.00      A       
ATOM    281  C   THR A  24       3.028  -5.905   0.083  1.00  0.00      A       
ATOM    282  CA  THR A  24       3.644  -7.283   0.444  1.00  0.00      A       
ATOM    283  CB  THR A  24       4.732  -7.099   1.529  1.00  0.00      A       
ATOM    284  CG2 THR A  24       5.216  -8.421   2.124  1.00  0.00      A       
ATOM    285  HN  THR A  24       4.768  -7.642  -1.346  1.00  0.00      A       
ATOM    286  HA  THR A  24       2.832  -7.831   0.924  1.00  0.00      A       
ATOM    287  HB  THR A  24       4.332  -6.500   2.354  1.00  0.00      A       
ATOM    288  HG1 THR A  24       5.958  -6.552   0.086  1.00  0.00      A       
ATOM    289 HG21 THR A  24       4.362  -9.020   2.442  1.00  0.00      A       
ATOM    290 HG22 THR A  24       5.790  -8.988   1.394  1.00  0.00      A       
ATOM    291 HG23 THR A  24       5.861  -8.213   2.978  1.00  0.00      A       
ATOM    292  N   THR A  24       4.154  -8.107  -0.676  1.00  0.00      A       
ATOM    293  O   THR A  24       3.156  -5.357  -1.009  1.00  0.00      A       
ATOM    294  OG1 THR A  24       5.872  -6.427   1.050  1.00  0.00      A       
ATOM    295  C   CYS A  25       3.009  -3.139   1.977  1.00  0.00      A       
ATOM    296  CA  CYS A  25       1.962  -3.896   1.119  1.00  0.00      A       
ATOM    297  CB  CYS A  25       0.509  -3.799   1.618  1.00  0.00      A       
ATOM    298  HN  CYS A  25       2.197  -5.857   1.903  1.00  0.00      A       
ATOM    299  HA  CYS A  25       1.987  -3.470   0.117  1.00  0.00      A       
ATOM    300  HB2 CYS A  25      -0.130  -4.333   0.917  1.00  0.00      A       
ATOM    301  HB1 CYS A  25       0.425  -4.277   2.595  1.00  0.00      A       
ATOM    302  N   CYS A  25       2.320  -5.321   1.062  1.00  0.00      A       
ATOM    303  O   CYS A  25       2.826  -2.904   3.173  1.00  0.00      A       
ATOM    304  SG  CYS A  25      -0.205  -2.144   1.789  1.00  0.00      A       
ATOM    305  C   GLN A  26       5.672  -1.143   2.484  1.00  0.00      A       
ATOM    306  CA  GLN A  26       5.442  -2.610   2.071  1.00  0.00      A       
ATOM    307  CB  GLN A  26       6.588  -3.084   1.159  1.00  0.00      A       
ATOM    308  CD  GLN A  26       7.820  -4.205   3.110  1.00  0.00      A       
ATOM    309  CG  GLN A  26       7.917  -3.260   1.918  1.00  0.00      A       
ATOM    310  HN  GLN A  26       4.199  -2.970   0.373  1.00  0.00      A       
ATOM    311  HA  GLN A  26       5.438  -3.228   2.972  1.00  0.00      A       
ATOM    312  HB2 GLN A  26       6.322  -4.030   0.692  1.00  0.00      A       
ATOM    313  HB1 GLN A  26       6.740  -2.358   0.357  1.00  0.00      A       
ATOM    314 HE21 GLN A  26       7.292  -5.768   1.953  1.00  0.00      A       
ATOM    315 HE22 GLN A  26       7.481  -6.085   3.669  1.00  0.00      A       
ATOM    316  HG2 GLN A  26       8.655  -3.670   1.230  1.00  0.00      A       
ATOM    317  HG1 GLN A  26       8.280  -2.295   2.273  1.00  0.00      A       
ATOM    318  N   GLN A  26       4.170  -2.857   1.382  1.00  0.00      A       
ATOM    319  NE2 GLN A  26       7.588  -5.477   2.880  1.00  0.00      A       
ATOM    320  O   GLN A  26       5.456  -0.225   1.696  1.00  0.00      A       
ATOM    321  OE1 GLN A  26       7.904  -3.794   4.258  1.00  0.00      A       
ATOM    322  C   VAL A  27       7.779   1.056   3.507  1.00  0.00      A       
ATOM    323  CA  VAL A  27       6.523   0.444   4.189  1.00  0.00      A       
ATOM    324  CB  VAL A  27       6.644   0.429   5.731  1.00  0.00      A       
ATOM    325  CG1 VAL A  27       7.708  -0.551   6.262  1.00  0.00      A       
ATOM    326  CG2 VAL A  27       6.895   1.844   6.269  1.00  0.00      A       
ATOM    327  HN  VAL A  27       6.354  -1.700   4.294  1.00  0.00      A       
ATOM    328  HA  VAL A  27       5.675   1.099   3.969  1.00  0.00      A       
ATOM    329  HB  VAL A  27       5.682   0.101   6.135  1.00  0.00      A       
ATOM    330 HG11 VAL A  27       8.681  -0.381   5.802  1.00  0.00      A       
ATOM    331 HG12 VAL A  27       7.808  -0.427   7.341  1.00  0.00      A       
ATOM    332 HG13 VAL A  27       7.397  -1.579   6.061  1.00  0.00      A       
ATOM    333 HG21 VAL A  27       6.109   2.502   5.904  1.00  0.00      A       
ATOM    334 HG22 VAL A  27       6.869   1.846   7.360  1.00  0.00      A       
ATOM    335 HG23 VAL A  27       7.867   2.218   5.941  1.00  0.00      A       
ATOM    336  N   VAL A  27       6.156  -0.902   3.707  1.00  0.00      A       
ATOM    337  O   VAL A  27       8.836   0.436   3.447  1.00  0.00      A       
ATOM    338  C   LEU A  28       9.165   4.099   3.877  1.00  0.00      A       
ATOM    339  CA  LEU A  28       8.816   3.178   2.681  1.00  0.00      A       
ATOM    340  CB  LEU A  28       8.462   4.001   1.419  1.00  0.00      A       
ATOM    341  CD1 LEU A  28       7.611   2.065  -0.034  1.00  0.00      A       
ATOM    342  CD2 LEU A  28       8.332   4.220  -1.076  1.00  0.00      A       
ATOM    343  CG  LEU A  28       8.588   3.243   0.083  1.00  0.00      A       
ATOM    344  HN  LEU A  28       6.748   2.718   3.013  1.00  0.00      A       
ATOM    345  HA  LEU A  28       9.709   2.589   2.456  1.00  0.00      A       
ATOM    346  HB2 LEU A  28       7.447   4.396   1.507  1.00  0.00      A       
ATOM    347  HB1 LEU A  28       9.142   4.855   1.364  1.00  0.00      A       
ATOM    348 HD11 LEU A  28       6.596   2.386   0.207  1.00  0.00      A       
ATOM    349 HD12 LEU A  28       7.631   1.676  -1.054  1.00  0.00      A       
ATOM    350 HD13 LEU A  28       7.902   1.255   0.633  1.00  0.00      A       
ATOM    351 HD21 LEU A  28       9.030   5.057  -1.026  1.00  0.00      A       
ATOM    352 HD22 LEU A  28       8.468   3.710  -2.032  1.00  0.00      A       
ATOM    353 HD23 LEU A  28       7.312   4.606  -1.024  1.00  0.00      A       
ATOM    354  HG  LEU A  28       9.607   2.859  -0.016  1.00  0.00      A       
ATOM    355  N   LEU A  28       7.676   2.308   3.036  1.00  0.00      A       
ATOM    356  O   LEU A  28      10.131   3.886   4.604  1.00  0.00      A       
ATOM    357  C   ASN A  29       6.771   5.278   6.025  1.00  0.00      A       
ATOM    358  CA  ASN A  29       8.110   5.762   5.415  1.00  0.00      A       
ATOM    359  CB  ASN A  29       8.098   7.289   5.210  1.00  0.00      A       
ATOM    360  CG  ASN A  29       9.490   7.855   4.951  1.00  0.00      A       
ATOM    361  HN  ASN A  29       7.548   5.162   3.464  1.00  0.00      A       
ATOM    362  HA  ASN A  29       8.912   5.497   6.107  1.00  0.00      A       
ATOM    363  HB2 ASN A  29       7.434   7.561   4.389  1.00  0.00      A       
ATOM    364  HB1 ASN A  29       7.715   7.784   6.102  1.00  0.00      A       
ATOM    365 HD21 ASN A  29       9.546   7.177   3.047  1.00  0.00      A       
ATOM    366 HD22 ASN A  29      10.941   8.087   3.641  1.00  0.00      A       
ATOM    367  N   ASN A  29       8.316   5.106   4.115  1.00  0.00      A       
ATOM    368  ND2 ASN A  29      10.017   7.708   3.755  1.00  0.00      A       
ATOM    369  O   ASN A  29       5.878   4.901   5.269  1.00  0.00      A       
ATOM    370  OD1 ASN A  29      10.106   8.451   5.819  1.00  0.00      A       
ATOM    371  C   PRO A  30       4.018   5.299   7.330  1.00  0.00      A       
ATOM    372  CA  PRO A  30       5.333   4.843   8.010  1.00  0.00      A       
ATOM    373  CB  PRO A  30       5.452   5.287   9.481  1.00  0.00      A       
ATOM    374  CD  PRO A  30       7.502   5.816   8.351  1.00  0.00      A       
ATOM    375  CG  PRO A  30       6.614   6.286   9.500  1.00  0.00      A       
ATOM    376  HA  PRO A  30       5.332   3.752   7.987  1.00  0.00      A       
ATOM    377  HB2 PRO A  30       4.535   5.731   9.876  1.00  0.00      A       
ATOM    378  HB1 PRO A  30       5.718   4.426  10.097  1.00  0.00      A       
ATOM    379  HD2 PRO A  30       8.124   6.642   8.004  1.00  0.00      A       
ATOM    380  HD1 PRO A  30       8.145   4.998   8.687  1.00  0.00      A       
ATOM    381  HG2 PRO A  30       6.247   7.290   9.283  1.00  0.00      A       
ATOM    382  HG1 PRO A  30       7.144   6.295  10.455  1.00  0.00      A       
ATOM    383  N   PRO A  30       6.569   5.311   7.356  1.00  0.00      A       
ATOM    384  O   PRO A  30       3.099   4.509   7.121  1.00  0.00      A       
ATOM    385  C   TYR A  31       2.696   6.878   4.699  1.00  0.00      A       
ATOM    386  CA  TYR A  31       2.791   7.167   6.228  1.00  0.00      A       
ATOM    387  CB  TYR A  31       2.762   8.669   6.570  1.00  0.00      A       
ATOM    388  CD1 TYR A  31       3.452   8.870   9.024  1.00  0.00      A       
ATOM    389  CD2 TYR A  31       1.094   9.088   8.433  1.00  0.00      A       
ATOM    390  CE1 TYR A  31       3.106   8.879  10.393  1.00  0.00      A       
ATOM    391  CE2 TYR A  31       0.750   9.088   9.800  1.00  0.00      A       
ATOM    392  CG  TYR A  31       2.443   8.945   8.036  1.00  0.00      A       
ATOM    393  CZ  TYR A  31       1.755   8.962  10.775  1.00  0.00      A       
ATOM    394  HN  TYR A  31       4.719   7.170   7.150  1.00  0.00      A       
ATOM    395  HA  TYR A  31       1.875   6.742   6.648  1.00  0.00      A       
ATOM    396  HB2 TYR A  31       3.714   9.130   6.302  1.00  0.00      A       
ATOM    397  HB1 TYR A  31       1.996   9.153   5.961  1.00  0.00      A       
ATOM    398  HD1 TYR A  31       4.488   8.781   8.736  1.00  0.00      A       
ATOM    399  HD2 TYR A  31       0.321   9.176   7.683  1.00  0.00      A       
ATOM    400  HE1 TYR A  31       3.867   8.806  11.154  1.00  0.00      A       
ATOM    401  HE2 TYR A  31      -0.288   9.169  10.088  1.00  0.00      A       
ATOM    402  HH  TYR A  31       0.462   8.891  12.184  1.00  0.00      A       
ATOM    403  N   TYR A  31       3.944   6.569   6.925  1.00  0.00      A       
ATOM    404  O   TYR A  31       1.728   7.288   4.064  1.00  0.00      A       
ATOM    405  OH  TYR A  31       1.415   8.908  12.087  1.00  0.00      A       
ATOM    406  C   TYR A  32       3.955   4.146   2.619  1.00  0.00      A       
ATOM    407  CA  TYR A  32       3.649   5.665   2.707  1.00  0.00      A       
ATOM    408  CB  TYR A  32       4.616   6.519   1.853  1.00  0.00      A       
ATOM    409  CD1 TYR A  32       4.497   5.227  -0.359  1.00  0.00      A       
ATOM    410  CD2 TYR A  32       4.060   7.631  -0.386  1.00  0.00      A       
ATOM    411  CE1 TYR A  32       4.184   5.161  -1.733  1.00  0.00      A       
ATOM    412  CE2 TYR A  32       3.790   7.565  -1.771  1.00  0.00      A       
ATOM    413  CG  TYR A  32       4.396   6.456   0.337  1.00  0.00      A       
ATOM    414  CZ  TYR A  32       3.849   6.327  -2.439  1.00  0.00      A       
ATOM    415  HN  TYR A  32       4.367   5.771   4.712  1.00  0.00      A       
ATOM    416  HA  TYR A  32       2.659   5.825   2.273  1.00  0.00      A       
ATOM    417  HB2 TYR A  32       4.503   7.558   2.168  1.00  0.00      A       
ATOM    418  HB1 TYR A  32       5.650   6.239   2.074  1.00  0.00      A       
ATOM    419  HD1 TYR A  32       4.820   4.331   0.146  1.00  0.00      A       
ATOM    420  HD2 TYR A  32       4.012   8.586   0.119  1.00  0.00      A       
ATOM    421  HE1 TYR A  32       4.189   4.218  -2.251  1.00  0.00      A       
ATOM    422  HE2 TYR A  32       3.528   8.461  -2.317  1.00  0.00      A       
ATOM    423  HH  TYR A  32       3.270   7.094  -4.105  1.00  0.00      A       
ATOM    424  N   TYR A  32       3.643   6.133   4.107  1.00  0.00      A       
ATOM    425  O   TYR A  32       5.107   3.719   2.721  1.00  0.00      A       
ATOM    426  OH  TYR A  32       3.586   6.253  -3.770  1.00  0.00      A       
ATOM    427  C   SER A  33       2.622   1.564   0.634  1.00  0.00      A       
ATOM    428  CA  SER A  33       3.002   1.896   2.099  1.00  0.00      A       
ATOM    429  CB  SER A  33       2.158   1.099   3.100  1.00  0.00      A       
ATOM    430  HN  SER A  33       2.012   3.775   2.292  1.00  0.00      A       
ATOM    431  HA  SER A  33       4.026   1.573   2.261  1.00  0.00      A       
ATOM    432  HB2 SER A  33       2.581   1.185   4.107  1.00  0.00      A       
ATOM    433  HB1 SER A  33       1.143   1.490   3.115  1.00  0.00      A       
ATOM    434  HG  SER A  33       2.720  -0.816   3.157  1.00  0.00      A       
ATOM    435  N   SER A  33       2.913   3.335   2.397  1.00  0.00      A       
ATOM    436  O   SER A  33       1.604   2.044   0.123  1.00  0.00      A       
ATOM    437  OG  SER A  33       2.072  -0.255   2.707  1.00  0.00      A       
ATOM    438  C   GLN A  34       3.348  -0.985  -1.850  1.00  0.00      A       
ATOM    439  CA  GLN A  34       3.489   0.520  -1.487  1.00  0.00      A       
ATOM    440  CB  GLN A  34       4.788   1.144  -2.037  1.00  0.00      A       
ATOM    441  CD  GLN A  34       6.009   2.100  -4.064  1.00  0.00      A       
ATOM    442  CG  GLN A  34       4.811   1.289  -3.569  1.00  0.00      A       
ATOM    443  HN  GLN A  34       4.240   0.395   0.489  1.00  0.00      A       
ATOM    444  HA  GLN A  34       2.649   1.046  -1.941  1.00  0.00      A       
ATOM    445  HB2 GLN A  34       4.891   2.140  -1.607  1.00  0.00      A       
ATOM    446  HB1 GLN A  34       5.645   0.552  -1.706  1.00  0.00      A       
ATOM    447 HE21 GLN A  34       4.999   3.879  -4.094  1.00  0.00      A       
ATOM    448 HE22 GLN A  34       6.687   3.860  -4.600  1.00  0.00      A       
ATOM    449  HG2 GLN A  34       4.852   0.306  -4.038  1.00  0.00      A       
ATOM    450  HG1 GLN A  34       3.903   1.785  -3.900  1.00  0.00      A       
ATOM    451  N   GLN A  34       3.470   0.783  -0.043  1.00  0.00      A       
ATOM    452  NE2 GLN A  34       5.864   3.397  -4.259  1.00  0.00      A       
ATOM    453  O   GLN A  34       3.751  -1.870  -1.102  1.00  0.00      A       
ATOM    454  OE1 GLN A  34       7.090   1.589  -4.295  1.00  0.00      A       
ATOM    455  C   CYS A  35       3.777  -3.348  -4.017  1.00  0.00      A       
ATOM    456  CA  CYS A  35       2.491  -2.637  -3.510  1.00  0.00      A       
ATOM    457  CB  CYS A  35       1.391  -2.524  -4.582  1.00  0.00      A       
ATOM    458  HN  CYS A  35       2.452  -0.510  -3.577  1.00  0.00      A       
ATOM    459  HA  CYS A  35       2.074  -3.241  -2.701  1.00  0.00      A       
ATOM    460  HB2 CYS A  35       0.566  -1.915  -4.212  1.00  0.00      A       
ATOM    461  HB1 CYS A  35       1.777  -2.034  -5.475  1.00  0.00      A       
ATOM    462  N   CYS A  35       2.751  -1.284  -3.006  1.00  0.00      A       
ATOM    463  O   CYS A  35       4.046  -3.340  -5.217  1.00  0.00      A       
ATOM    464  SG  CYS A  35       0.688  -4.110  -5.082  1.00  0.00      A       
ATOM    465  C   LEU A  36       5.717  -6.102  -2.804  1.00  0.00      A       
ATOM    466  CA  LEU A  36       5.832  -4.634  -3.298  1.00  0.00      A       
ATOM    467  CB  LEU A  36       6.985  -3.890  -2.573  1.00  0.00      A       
ATOM    468  CD1 LEU A  36       6.851  -1.748  -3.963  1.00  0.00      A       
ATOM    469  CD2 LEU A  36       8.810  -2.173  -2.470  1.00  0.00      A       
ATOM    470  CG  LEU A  36       7.762  -2.833  -3.384  1.00  0.00      A       
ATOM    471  HN  LEU A  36       4.196  -3.914  -2.150  1.00  0.00      A       
ATOM    472  HA  LEU A  36       6.070  -4.694  -4.361  1.00  0.00      A       
ATOM    473  HB2 LEU A  36       6.592  -3.422  -1.671  1.00  0.00      A       
ATOM    474  HB1 LEU A  36       7.732  -4.621  -2.259  1.00  0.00      A       
ATOM    475 HD11 LEU A  36       6.221  -1.341  -3.174  1.00  0.00      A       
ATOM    476 HD12 LEU A  36       7.456  -0.953  -4.399  1.00  0.00      A       
ATOM    477 HD13 LEU A  36       6.229  -2.171  -4.749  1.00  0.00      A       
ATOM    478 HD21 LEU A  36       9.457  -2.933  -2.029  1.00  0.00      A       
ATOM    479 HD22 LEU A  36       9.427  -1.477  -3.039  1.00  0.00      A       
ATOM    480 HD23 LEU A  36       8.317  -1.624  -1.667  1.00  0.00      A       
ATOM    481  HG  LEU A  36       8.280  -3.331  -4.207  1.00  0.00      A       
ATOM    482  N   LEU A  36       4.566  -3.903  -3.091  1.00  0.00      A       
ATOM    483  OT1 LEU A  36       5.369  -6.989  -3.613  1.00  0.00      A       
ATOM    484  OT2 LEU A  36       5.977  -6.354  -1.605  1.00  0.00      A       
END


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